REMARK Date 2017-06-15 Time 06:21:46 IDT +0300 (1497496906.12 s) REMARK PHENIX refinement REMARK REMARK ****************** INPUT FILES AND LABELS ****************************** REMARK Reflections: REMARK file name : /home/anshahar/ESRF_ID30A3_ID30B_Feb_2017/Niv_Papo/Nan REMARK labels : ['IMEAN_XDSdataset,SIGIMEAN_XDSdataset'] REMARK R-free flags: REMARK file name : /home/anshahar/ESRF_ID30A3_ID30B_Feb_2017/Niv_Papo/Nan REMARK label : FreeR_flag REMARK test_flag_value: 0 REMARK Model file name(s): REMARK /home/anshahar/ESRF_ID30A3_ID30B_Feb_2017/Niv_Papo/NanoBodies/Nanobodie REMARK REMARK ******************** REFINEMENT SUMMARY: QUICK FACTS ******************* REMARK Start: r_work = 0.1762 r_free = 0.1996 bonds = 0.016 angles = 1.606 REMARK Final: r_work = 0.1723 r_free = 0.1956 bonds = 0.005 angles = 0.808 REMARK ************************************************************************ REMARK REMARK ****************** REFINEMENT STATISTICS STEP BY STEP ****************** REMARK leading digit, like 1_, means number of macro-cycle REMARK 0 : statistics at the very beginning when nothing is done yet REMARK 1 s: bulk solvent correction and/or (anisotropic) scaling REMARK 1 z: refinement of coordinates REMARK 1 p: refinement of ADPs (Atomic Displacement Parameters) REMARK 1 r: group B-factor refinement REMARK 1 c: refinement of occupancies REMARK ------------------------------------------------------------------------ REMARK stage r-work r-free bonds angles b_min b_max b_ave n_water shift REMARK 0 : 0.2498 0.2555 0.016 1.61 9.3 72.3 21.3 128 0.000 REMARK 1_bss: 0.1762 0.1996 0.016 1.61 9.3 72.3 21.3 128 0.000 REMARK 1 ettarget: 0.1762 0.1996 0.016 1.61 9.3 72.3 21.3 128 0.000 REMARK 1_nqh: 0.1762 0.1996 0.016 1.61 9.3 72.3 21.3 128 0.000 REMARK 1_weight: 0.1762 0.1996 0.016 1.61 9.3 72.3 21.3 128 0.000 REMARK 1_xyzrec: 0.1770 0.2037 0.005 0.80 9.3 72.3 21.3 128 0.052 REMARK 1_adp: 0.1753 0.2074 0.005 0.80 8.2 79.9 23.1 128 0.052 REMARK 1_occ: 0.1753 0.2074 0.005 0.80 8.2 79.9 23.1 128 0.052 REMARK 2_bss: 0.1752 0.2077 0.005 0.80 8.2 79.9 23.1 128 0.052 REMARK 2 ettarget: 0.1752 0.2077 0.005 0.80 8.2 79.9 23.1 128 0.052 REMARK 2 pdatecdl: 0.1752 0.2077 0.005 0.81 8.2 79.9 23.1 128 0.052 REMARK 2_nqh: 0.1752 0.2077 0.005 0.81 8.2 79.9 23.1 128 0.052 REMARK 2_realsrl: 0.1803 0.2131 0.008 0.87 8.2 79.9 23.1 128 0.073 REMARK 2_weight: 0.1803 0.2131 0.008 0.87 8.2 79.9 23.1 128 0.073 REMARK 2_xyzrec: 0.1753 0.2098 0.005 0.79 8.2 79.9 23.1 128 0.076 REMARK 2 realsrl2: 0.1754 0.2099 0.005 0.79 8.2 79.9 23.1 128 0.076 REMARK 2_adp: 0.1739 0.2082 0.005 0.79 7.8 84.1 22.9 128 0.076 REMARK 2_occ: 0.1738 0.2082 0.005 0.79 7.8 84.1 22.9 128 0.076 REMARK 3_bss: 0.1738 0.2081 0.005 0.79 7.8 84.1 22.9 128 0.076 REMARK 3 ettarget: 0.1738 0.2081 0.005 0.79 7.8 84.1 22.9 128 0.076 REMARK 3 pdatecdl: 0.1738 0.2081 0.005 0.79 7.8 84.1 22.9 128 0.076 REMARK 3_nqh: 0.1739 0.2094 0.005 0.79 7.8 84.1 22.9 128 0.068 REMARK 3_realsrl: 0.1813 0.2134 0.006 0.92 7.8 84.1 22.9 128 0.076 REMARK 3_weight: 0.1813 0.2134 0.006 0.92 7.8 84.1 22.9 128 0.076 REMARK 3_xyzrec: 0.1746 0.2051 0.005 0.82 7.8 84.1 22.9 128 0.057 REMARK 3 realsrl2: 0.1746 0.2050 0.005 0.82 7.8 84.1 22.9 128 0.057 REMARK 3_adp: 0.1740 0.1998 0.005 0.82 9.1 73.8 21.8 128 0.057 REMARK 3_occ: 0.1740 0.2001 0.005 0.82 9.1 73.8 21.8 128 0.057 REMARK 4_bss: 0.1737 0.1997 0.005 0.82 9.1 73.8 21.8 128 0.057 REMARK 4 ettarget: 0.1737 0.1997 0.005 0.82 9.1 73.8 21.8 128 0.057 REMARK 4 pdatecdl: 0.1737 0.1997 0.005 0.82 9.1 73.8 21.8 128 0.057 REMARK 4_nqh: 0.1737 0.1997 0.005 0.82 9.1 73.8 21.8 128 0.057 REMARK 4_realsrl: 0.1771 0.2022 0.005 0.85 9.1 73.8 21.8 128 0.077 REMARK 4_weight: 0.1771 0.2022 0.005 0.85 9.1 73.8 21.8 128 0.077 REMARK 4_xyzrec: 0.1726 0.1991 0.005 0.83 9.1 73.8 21.8 128 0.068 REMARK 4 realsrl2: 0.1727 0.1993 0.005 0.83 9.1 73.8 21.8 128 0.068 REMARK 4_adp: 0.1729 0.1990 0.005 0.83 8.5 71.8 21.5 128 0.068 REMARK 4_occ: 0.1729 0.1988 0.005 0.83 8.5 71.8 21.5 128 0.068 REMARK 5_bss: 0.1727 0.1983 0.005 0.83 8.7 72.0 21.7 128 0.068 REMARK 5 ettarget: 0.1727 0.1983 0.005 0.83 8.7 72.0 21.7 128 0.068 REMARK 5 pdatecdl: 0.1727 0.1983 0.005 0.83 8.7 72.0 21.7 128 0.068 REMARK 5_nqh: 0.1728 0.1984 0.005 0.83 8.7 72.0 21.7 128 0.064 REMARK 5_realsrl: 0.1763 0.2022 0.005 0.85 8.7 72.0 21.7 128 0.064 REMARK 5_weight: 0.1763 0.2022 0.005 0.85 8.7 72.0 21.7 128 0.064 REMARK 5_xyzrec: 0.1726 0.1975 0.005 0.81 8.7 72.0 21.7 128 0.059 REMARK 5 realsrl2: 0.1726 0.1975 0.005 0.81 8.7 72.0 21.7 128 0.059 REMARK 5_adp: 0.1730 0.1980 0.005 0.81 8.5 71.2 21.2 128 0.059 REMARK 5_occ: 0.1730 0.1979 0.005 0.81 8.5 71.2 21.2 128 0.059 REMARK 6_bss: 0.1729 0.1979 0.005 0.81 8.6 71.4 21.4 128 0.059 REMARK 6 ettarget: 0.1729 0.1979 0.005 0.81 8.6 71.4 21.4 128 0.059 REMARK 6 pdatecdl: 0.1729 0.1979 0.005 0.81 8.6 71.4 21.4 128 0.059 REMARK 6_nqh: 0.1729 0.1979 0.005 0.81 8.6 71.4 21.4 128 0.059 REMARK 6_realsrl: 0.1750 0.1988 0.005 0.82 8.6 71.4 21.4 128 0.072 REMARK 6_weight: 0.1750 0.1988 0.005 0.82 8.6 71.4 21.4 128 0.072 REMARK 6_xyzrec: 0.1730 0.1978 0.005 0.80 8.6 71.4 21.4 128 0.069 REMARK 6 realsrl2: 0.1730 0.1980 0.005 0.80 8.6 71.4 21.4 128 0.069 REMARK 6_adp: 0.1730 0.1981 0.005 0.80 8.4 70.9 21.3 128 0.069 REMARK 6_occ: 0.1730 0.1981 0.005 0.80 8.4 70.9 21.3 128 0.069 REMARK 7_bss: 0.1729 0.1981 0.005 0.80 8.6 71.1 21.5 128 0.069 REMARK 7 ettarget: 0.1729 0.1981 0.005 0.80 8.6 71.1 21.5 128 0.069 REMARK 7 pdatecdl: 0.1729 0.1981 0.005 0.80 8.6 71.1 21.5 128 0.069 REMARK 7_nqh: 0.1730 0.1983 0.005 0.80 8.6 71.1 21.5 128 0.066 REMARK 7_realsrl: 0.1753 0.2002 0.005 0.82 8.6 71.1 21.5 128 0.065 REMARK 7_weight: 0.1753 0.2002 0.005 0.82 8.6 71.1 21.5 128 0.065 REMARK 7_xyzrec: 0.1727 0.1975 0.005 0.81 8.6 71.1 21.5 128 0.062 REMARK 7 realsrl2: 0.1727 0.1975 0.005 0.81 8.6 71.1 21.5 128 0.062 REMARK 7_adp: 0.1727 0.1974 0.005 0.81 8.6 70.4 21.3 128 0.062 REMARK 7_occ: 0.1727 0.1973 0.005 0.81 8.6 70.4 21.3 128 0.062 REMARK 8_bss: 0.1726 0.1972 0.005 0.81 8.8 70.6 21.5 128 0.062 REMARK 8 ettarget: 0.1726 0.1972 0.005 0.81 8.8 70.6 21.5 128 0.062 REMARK 8 pdatecdl: 0.1726 0.1972 0.005 0.81 8.8 70.6 21.5 128 0.062 REMARK 8_nqh: 0.1726 0.1972 0.005 0.81 8.8 70.6 21.5 128 0.062 REMARK 8_realsrl: 0.1743 0.1982 0.005 0.83 8.8 70.6 21.5 128 0.069 REMARK 8_weight: 0.1743 0.1982 0.005 0.83 8.8 70.6 21.5 128 0.069 REMARK 8_xyzrec: 0.1726 0.1964 0.005 0.81 8.8 70.6 21.5 128 0.068 REMARK 8 realsrl2: 0.1727 0.1965 0.005 0.81 8.8 70.6 21.5 128 0.068 REMARK 8_adp: 0.1727 0.1970 0.005 0.81 8.7 70.3 21.3 128 0.068 REMARK 8_occ: 0.1727 0.1970 0.005 0.81 8.7 70.3 21.3 128 0.068 REMARK 9_bss: 0.1726 0.1964 0.005 0.81 8.7 70.3 21.3 128 0.068 REMARK 9 ettarget: 0.1726 0.1964 0.005 0.81 8.7 70.3 21.3 128 0.068 REMARK 9 pdatecdl: 0.1726 0.1964 0.005 0.81 8.7 70.3 21.3 128 0.068 REMARK 9_nqh: 0.1726 0.1964 0.005 0.81 8.7 70.3 21.3 128 0.068 REMARK 9_realsrl: 0.1762 0.1986 0.005 0.84 8.7 70.3 21.3 128 0.069 REMARK 9_weight: 0.1762 0.1986 0.005 0.84 8.7 70.3 21.3 128 0.069 REMARK 9_xyzrec: 0.1727 0.1959 0.005 0.81 8.7 70.3 21.3 128 0.065 REMARK 9 realsrl2: 0.1727 0.1960 0.005 0.81 8.7 70.3 21.3 128 0.065 REMARK 9_adp: 0.1728 0.1955 0.005 0.81 8.6 69.5 21.3 128 0.065 REMARK 9_occ: 0.1728 0.1954 0.005 0.81 8.6 69.5 21.3 128 0.065 REMARK 10_bss: 0.1729 0.1960 0.005 0.81 8.8 69.7 21.5 128 0.065 REMARK 10 ettarget: 0.1729 0.1960 0.005 0.81 8.8 69.7 21.5 128 0.065 REMARK 10 pdatecdl: 0.1729 0.1960 0.005 0.81 8.8 69.7 21.5 128 0.065 REMARK 10_nqh: 0.1729 0.1960 0.005 0.81 8.8 69.7 21.5 128 0.065 REMARK 1 _realsrl: 0.1758 0.1977 0.005 0.82 8.8 69.7 21.5 128 0.073 REMARK 10_weight: 0.1758 0.1977 0.005 0.82 8.8 69.7 21.5 128 0.073 REMARK 10_xyzrec: 0.1725 0.1964 0.005 0.81 8.8 69.7 21.5 128 0.068 REMARK 10 realsrl2: 0.1725 0.1962 0.005 0.81 8.8 69.7 21.5 128 0.068 REMARK 10_adp: 0.1724 0.1963 0.005 0.81 8.7 69.2 21.3 128 0.068 REMARK 10_occ: 0.1724 0.1963 0.005 0.81 8.7 69.2 21.3 128 0.068 REMARK end: 0.1723 0.1956 0.005 0.81 8.7 69.2 21.3 128 0.068 REMARK ------------------------------------------------------------------------ REMARK MODEL CONTENT. REMARK ELEMENT ATOM RECORD COUNT OCCUPANCY SUM REMARK C 639 594.00 REMARK S 8 5.00 REMARK O 342 326.00 REMARK N 174 166.00 REMARK TOTAL 1163 1091.00 REMARK ----------------------------------------------------------------------- REMARK r_free_flags.md5.hexdigest 075670d1025acc49c15716ba6c5af1ce REMARK REMARK IF THIS FILE IS FOR PDB DEPOSITION: REMOVE ALL FROM THIS LINE UP. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.11.1_2575: ???) REMARK 3 AUTHORS : Adams,Afonine,Bunkoczi,Burnley,Chen,Dar,Davis, REMARK 3 : Draizen,Echols,Gildea,Gros,Grosse-Kunstleve,Headd, REMARK 3 : Hintze,Hung,Ioerger,Liebschner,McCoy,McKee,Moriarty, REMARK 3 : Oeffner,Poon,Read,Richardson,Richardson,Sacchettini, REMARK 3 : Sauter,Sobolev,Storoni,Terwilliger,Williams,Zwart REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.500 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.584 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.34 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.81 REMARK 3 NUMBER OF REFLECTIONS : 23649 REMARK 3 NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 23649 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.1734 REMARK 3 R VALUE (WORKING SET) : 0.1723 REMARK 3 FREE R VALUE : 0.1956 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.86 REMARK 3 FREE R VALUE TEST SET COUNT : 1149 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE CCWOR REMARK 3 1 28.5896 - 2.9982 0.98 2927 157 0.1494 0.1575 0.94 REMARK 3 2 2.9982 - 2.3802 0.97 2783 135 0.1782 0.1994 0.92 REMARK 3 3 2.3802 - 2.0794 0.99 2796 155 0.1754 0.2303 0.92 REMARK 3 4 2.0794 - 1.8893 0.99 2813 130 0.1702 0.1998 0.94 REMARK 3 5 1.8893 - 1.7539 1.00 2833 134 0.1807 0.2021 0.92 REMARK 3 6 1.7539 - 1.6505 1.00 2798 142 0.1983 0.2244 0.91 REMARK 3 7 1.6505 - 1.5679 1.00 2789 166 0.2162 0.2663 0.88 REMARK 3 8 1.5679 - 1.4996 0.99 2761 130 0.2359 0.2665 0.86 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 GRID STEP FACTOR : 4.00 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.15 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.19 REMARK 3 REMARK 3 STRUCTURE FACTORS CALCULATION ALGORITHM : FFT REMARK 3 REMARK 3 RESTRAINTS LIBRARY REMARK 3 GEOSTD + MON.LIB. + CDL v1.2 REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD MAX COUNT REMARK 3 BOND : 0.005 0.040 1068 REMARK 3 ANGLE : 0.808 5.596 1464 REMARK 3 CHIRALITY : 0.079 0.208 154 REMARK 3 PLANARITY : 0.004 0.036 196 REMARK 3 DIHEDRAL : 8.117 179.402 582 REMARK 3 MIN NONBONDED DISTANCE : 2.048 REMARK 3 REMARK 3 MOLPROBITY STATISTICS. REMARK 3 ALL-ATOM CLASHSCORE : 3.45 REMARK 3 RAMACHANDRAN PLOT: REMARK 3 OUTLIERS : 0.80 % REMARK 3 ALLOWED : 2.40 % REMARK 3 FAVORED : 96.80 % REMARK 3 ROTAMER OUTLIERS : 0.88 % REMARK 3 CBETA DEVIATIONS : 0 REMARK 3 PEPTIDE PLANE: REMARK 3 CIS-PROLINE : 0 REMARK 3 CIS-GENERAL : 0 REMARK 3 TWISTED PROLINE : 0 REMARK 3 TWISTED GENERAL : 0 REMARK 3 REMARK 3 ATOMIC DISPLACEMENT PARAMETERS. REMARK 3 WILSON B : 15.34 REMARK 3 RMS(B_ISO_OR_EQUIVALENT_BONDED) : 3.47 REMARK 3 ATOMS NUMBER OF ATOMS REMARK 3 ISO. ANISO. REMARK 3 ALL : 1163 1035 REMARK 3 ALL (NO H) : 1163 1035 REMARK 3 SOLVENT : 128 0 REMARK 3 NON-SOLVENT : 1035 1035 REMARK 3 HYDROGENS : 0 0 REMARK 3 REMARK 3 TLS DETAILS. REMARK 3 NUMBER OF TLS GROUPS: 10 REMARK 3 ORIGIN: CENTER OF MASS REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain 'A' and (resid 1 through 7 ) REMARK 3 ORIGIN FOR THE GROUP (A): -6.0242 -17.6859 5.9398 REMARK 3 T TENSOR REMARK 3 T11: 0.1489 T22: 0.2248 REMARK 3 T33: 0.2389 T12: -0.0385 REMARK 3 T13: 0.0134 T23: -0.0586 REMARK 3 L TENSOR REMARK 3 L11: 2.3595 L22: 6.7952 REMARK 3 L33: 0.1312 L12: -0.7262 REMARK 3 L13: -0.5508 L23: 0.2995 REMARK 3 S TENSOR REMARK 3 S11: 0.2953 S12: -0.0365 S13: 0.4785 REMARK 3 S21: -0.0191 S22: 0.3745 S23: -0.7505 REMARK 3 S31: -0.4876 S32: 0.7783 S33: -0.6102 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain 'A' and (resid 8 through 17 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.6779 -28.2743 -14.6958 REMARK 3 T TENSOR REMARK 3 T11: 0.1266 T22: 0.1562 REMARK 3 T33: 0.1235 T12: 0.0304 REMARK 3 T13: 0.0387 T23: 0.0007 REMARK 3 L TENSOR REMARK 3 L11: 4.1728 L22: 7.0034 REMARK 3 L33: 6.7224 L12: 4.2495 REMARK 3 L13: 4.5259 L23: 2.5101 REMARK 3 S TENSOR REMARK 3 S11: -0.3299 S12: 0.3553 S13: -0.1341 REMARK 3 S21: -0.4727 S22: 0.2076 S23: 0.0133 REMARK 3 S31: 0.3805 S32: 0.5459 S33: 0.0614 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: chain 'A' and (resid 18 through 32 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.3287 -22.5406 8.5332 REMARK 3 T TENSOR REMARK 3 T11: 0.1610 T22: 0.1192 REMARK 3 T33: 0.1382 T12: -0.0218 REMARK 3 T13: -0.0078 T23: -0.0172 REMARK 3 L TENSOR REMARK 3 L11: 1.0819 L22: 0.4258 REMARK 3 L33: 6.2870 L12: -0.6794 REMARK 3 L13: -1.4731 L23: 1.0001 REMARK 3 S TENSOR REMARK 3 S11: -0.0155 S12: -0.0672 S13: 0.0741 REMARK 3 S21: 0.1039 S22: 0.0287 S23: -0.0595 REMARK 3 S31: 0.2918 S32: 0.0102 S33: 0.0133 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: chain 'A' and (resid 33 through 39 ) REMARK 3 ORIGIN FOR THE GROUP (A): -16.9472 -19.7153 -0.8507 REMARK 3 T TENSOR REMARK 3 T11: 0.0913 T22: 0.0617 REMARK 3 T33: 0.0982 T12: -0.0154 REMARK 3 T13: -0.0030 T23: -0.0336 REMARK 3 L TENSOR REMARK 3 L11: 6.1816 L22: 5.0563 REMARK 3 L33: 5.2354 L12: 0.4715 REMARK 3 L13: -2.3245 L23: -2.7579 REMARK 3 S TENSOR REMARK 3 S11: 0.1742 S12: -0.0686 S13: 0.1955 REMARK 3 S21: 0.0240 S22: 0.0718 S23: 0.0840 REMARK 3 S31: -0.2832 S32: 0.1226 S33: -0.1828 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: chain 'A' and (resid 40 through 52 ) REMARK 3 ORIGIN FOR THE GROUP (A): -19.6606 -17.4292 -6.3297 REMARK 3 T TENSOR REMARK 3 T11: 0.1447 T22: 0.1303 REMARK 3 T33: 0.1416 T12: 0.0192 REMARK 3 T13: 0.0307 T23: 0.0221 REMARK 3 L TENSOR REMARK 3 L11: 3.0326 L22: 4.1020 REMARK 3 L33: 4.2580 L12: 2.1856 REMARK 3 L13: -3.5883 L23: -2.7726 REMARK 3 S TENSOR REMARK 3 S11: 0.2197 S12: 0.2994 S13: 0.3498 REMARK 3 S21: 0.0671 S22: 0.0997 S23: 0.1427 REMARK 3 S31: -0.4811 S32: -0.2892 S33: -0.1176 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: chain 'A' and (resid 53 through 67 ) REMARK 3 ORIGIN FOR THE GROUP (A): -23.8434 -28.0187 -2.3947 REMARK 3 T TENSOR REMARK 3 T11: 0.2130 T22: 0.2806 REMARK 3 T33: 0.1727 T12: -0.0133 REMARK 3 T13: -0.0326 T23: -0.0418 REMARK 3 L TENSOR REMARK 3 L11: 2.6709 L22: 4.2668 REMARK 3 L33: 1.4440 L12: 0.7423 REMARK 3 L13: 1.7530 L23: 0.6024 REMARK 3 S TENSOR REMARK 3 S11: 0.1589 S12: 0.3517 S13: -0.3226 REMARK 3 S21: -0.1880 S22: -0.1838 S23: 0.1788 REMARK 3 S31: 0.5528 S32: -0.3898 S33: -0.1214 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: chain 'A' and (resid 68 through 83 ) REMARK 3 ORIGIN FOR THE GROUP (A): -13.1331 -29.4297 1.6369 REMARK 3 T TENSOR REMARK 3 T11: 0.1234 T22: 0.0599 REMARK 3 T33: 0.0964 T12: 0.0127 REMARK 3 T13: 0.0059 T23: 0.0030 REMARK 3 L TENSOR REMARK 3 L11: 4.2937 L22: 4.0885 REMARK 3 L33: 6.5522 L12: 1.6471 REMARK 3 L13: 2.7421 L23: 1.9341 REMARK 3 S TENSOR REMARK 3 S11: 0.0462 S12: -0.0294 S13: 0.0059 REMARK 3 S21: -0.0136 S22: -0.0737 S23: -0.0822 REMARK 3 S31: 0.0350 S32: -0.0767 S33: 0.0362 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: chain 'A' and (resid 84 through 91 ) REMARK 3 ORIGIN FOR THE GROUP (A): -15.5104 -27.2918 -15.8254 REMARK 3 T TENSOR REMARK 3 T11: 0.1845 T22: 0.1332 REMARK 3 T33: 0.1078 T12: -0.0237 REMARK 3 T13: -0.0084 T23: 0.0135 REMARK 3 L TENSOR REMARK 3 L11: 1.8961 L22: 9.3149 REMARK 3 L33: 6.6633 L12: -1.1770 REMARK 3 L13: 0.3812 L23: -7.3141 REMARK 3 S TENSOR REMARK 3 S11: 0.1363 S12: 0.0164 S13: -0.0049 REMARK 3 S21: -0.4190 S22: 0.1206 S23: 0.3663 REMARK 3 S31: 0.4120 S32: -0.1192 S33: -0.2952 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: chain 'A' and (resid 92 through 117 ) REMARK 3 ORIGIN FOR THE GROUP (A): -18.4296 -15.9305 3.3521 REMARK 3 T TENSOR REMARK 3 T11: 0.1484 T22: 0.1026 REMARK 3 T33: 0.1423 T12: 0.0044 REMARK 3 T13: -0.0042 T23: -0.0043 REMARK 3 L TENSOR REMARK 3 L11: 2.2738 L22: 1.3555 REMARK 3 L33: 7.1970 L12: 0.1608 REMARK 3 L13: -1.3000 L23: 0.7967 REMARK 3 S TENSOR REMARK 3 S11: 0.0630 S12: -0.1407 S13: 0.1681 REMARK 3 S21: -0.0488 S22: -0.0011 S23: 0.0218 REMARK 3 S31: -0.3311 S32: -0.1425 S33: -0.0721 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: chain 'A' and (resid 118 through 127 ) REMARK 3 ORIGIN FOR THE GROUP (A): -9.1087 -23.3138 -17.9045 REMARK 3 T TENSOR REMARK 3 T11: 0.2888 T22: 0.1606 REMARK 3 T33: 0.1287 T12: 0.0036 REMARK 3 T13: 0.0155 T23: 0.0045 REMARK 3 L TENSOR REMARK 3 L11: 3.2173 L22: 0.8389 REMARK 3 L33: 1.9921 L12: -0.7855 REMARK 3 L13: -0.9862 L23: 0.1523 REMARK 3 S TENSOR REMARK 3 S11: -0.1088 S12: 0.4122 S13: -0.2552 REMARK 3 S21: -0.4407 S22: 0.1477 S23: 0.0548 REMARK 3 S31: 0.2882 S32: 0.5321 S33: 0.0206 REMARK 3 SSBOND 1 CYS A 22 CYS A 96 CRYST1 55.949 69.087 75.869 90.00 90.00 90.00 I 2 2 2 SCALE1 0.017873 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014475 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013181 0.00000 ATOM 1 N GLN A 1 -5.780 -13.176 15.238 1.00 31.71 N ANISOU 1 N GLN A 1 4488 3634 3926 -749 -426 -1699 N ATOM 2 CA GLN A 1 -6.141 -12.825 13.863 1.00 27.87 C ANISOU 2 CA GLN A 1 3830 3093 3666 -852 -112 -1531 C ATOM 3 C GLN A 1 -6.639 -14.034 13.072 1.00 22.83 C ANISOU 3 C GLN A 1 3122 2572 2980 -665 -134 -1267 C ATOM 4 O GLN A 1 -5.994 -15.082 13.053 1.00 23.45 O ANISOU 4 O GLN A 1 3040 2850 3020 -562 -393 -1336 O ATOM 5 CB GLN A 1 -4.946 -12.196 13.144 1.00 33.50 C ANISOU 5 CB GLN A 1 4210 3860 4659 -1038 -74 -1678 C ATOM 6 CG GLN A 1 -5.269 -11.676 11.749 1.00 42.07 C ANISOU 6 CG GLN A 1 5188 4853 5944 -1161 284 -1508 C ATOM 7 CD GLN A 1 -4.061 -11.667 10.822 1.00 58.65 C ANISOU 7 CD GLN A 1 6951 7069 8265 -1238 318 -1581 C ATOM 8 OE1 GLN A 1 -3.330 -12.655 10.718 1.00 61.97 O ANISOU 8 OE1 GLN A 1 7187 7671 8688 -1148 103 -1653 O ATOM 9 NE2 GLN A 1 -3.851 -10.545 10.139 1.00 63.13 N ANISOU 9 NE2 GLN A 1 7455 7517 9015 -1370 614 -1534 N ATOM 10 N VAL A 2 -7.787 -13.886 12.409 1.00 20.36 N ANISOU 10 N VAL A 2 2919 2115 2700 -618 121 -973 N ATOM 11 CA VAL A 2 -8.306 -14.940 11.542 1.00 17.93 C ANISOU 11 CA VAL A 2 2543 1884 2384 -452 93 -732 C ATOM 12 C VAL A 2 -7.531 -14.940 10.234 1.00 17.98 C ANISOU 12 C VAL A 2 2291 2005 2536 -554 146 -753 C ATOM 13 O VAL A 2 -7.254 -13.881 9.663 1.00 19.06 O ANISOU 13 O VAL A 2 2378 2046 2817 -741 367 -783 O ATOM 14 CB VAL A 2 -9.803 -14.715 11.264 1.00 16.20 C ANISOU 14 CB VAL A 2 2520 1431 2205 -371 311 -424 C ATOM 15 CG1 VAL A 2 -10.322 -15.738 10.257 1.00 15.05 C ANISOU 15 CG1 VAL A 2 2290 1341 2088 -211 247 -198 C ATOM 16 CG2 VAL A 2 -10.610 -14.778 12.545 1.00 16.39 C ANISOU 16 CG2 VAL A 2 2811 1307 2110 -257 330 -389 C ATOM 17 N AGLN A 3 -7.184 -16.133 9.746 0.46 17.03 N ANISOU 17 N AGLN A 3 2018 2071 2382 -426 -26 -734 N ATOM 18 CA AGLN A 3 -6.593 -16.284 8.421 0.46 17.08 C ANISOU 18 CA AGLN A 3 1832 2165 2491 -486 67 -720 C ATOM 19 C AGLN A 3 -7.246 -17.461 7.716 0.46 14.92 C ANISOU 19 C AGLN A 3 1580 1955 2137 -283 -21 -512 C ATOM 20 O AGLN A 3 -7.349 -18.549 8.289 0.46 14.50 O ANISOU 20 O AGLN A 3 1502 2006 2002 -110 -252 -518 O ATOM 21 CB AGLN A 3 -5.076 -16.509 8.494 0.46 20.38 C ANISOU 21 CB AGLN A 3 1962 2754 3028 -579 -52 -1009 C ATOM 22 CG AGLN A 3 -4.411 -16.616 7.129 0.46 23.80 C ANISOU 22 CG AGLN A 3 2214 3243 3584 -649 125 -1005 C ATOM 23 CD AGLN A 3 -3.011 -17.193 7.202 0.46 32.87 C ANISOU 23 CD AGLN A 3 3038 4552 4899 -686 -16 -1268 C ATOM 24 OE1AGLN A 3 -2.804 -18.385 6.971 0.46 32.19 O ANISOU 24 OE1AGLN A 3 2874 4598 4758 -524 -167 -1234 O ATOM 25 NE2AGLN A 3 -2.041 -16.347 7.520 0.46 40.17 N ANISOU 25 NE2AGLN A 3 3845 5410 6005 -829 48 -1447 N ATOM 26 N BGLN A 3 -7.177 -16.133 9.762 0.54 17.05 N ANISOU 26 N BGLN A 3 2020 2074 2383 -426 -28 -736 N ATOM 27 CA BGLN A 3 -6.614 -16.314 8.433 0.54 17.03 C ANISOU 27 CA BGLN A 3 1829 2159 2481 -480 62 -716 C ATOM 28 C BGLN A 3 -7.354 -17.447 7.746 0.54 14.81 C ANISOU 28 C BGLN A 3 1584 1926 2116 -275 -18 -495 C ATOM 29 O BGLN A 3 -7.645 -18.475 8.362 0.54 13.76 O ANISOU 29 O BGLN A 3 1463 1869 1897 -94 -234 -470 O ATOM 30 CB BGLN A 3 -5.115 -16.632 8.492 0.54 18.94 C ANISOU 30 CB BGLN A 3 1781 2582 2832 -559 -71 -999 C ATOM 31 CG BGLN A 3 -4.261 -15.455 8.928 0.54 21.61 C ANISOU 31 CG BGLN A 3 2023 2848 3341 -785 12 -1240 C ATOM 32 CD BGLN A 3 -2.781 -15.759 8.862 0.54 38.72 C ANISOU 32 CD BGLN A 3 3878 5142 5693 -837 -101 -1475 C ATOM 33 OE1BGLN A 3 -2.290 -16.283 7.862 0.54 40.41 O ANISOU 33 OE1BGLN A 3 3933 5430 5990 -818 -6 -1443 O ATOM 34 NE2BGLN A 3 -2.062 -15.437 9.929 0.54 39.48 N ANISOU 34 NE2BGLN A 3 3956 5226 5817 -840 -281 -1627 N ATOM 35 N LEU A 4 -7.686 -17.233 6.477 1.00 14.68 N ANISOU 35 N LEU A 4 1608 1844 2125 -298 152 -332 N ATOM 36 CA LEU A 4 -8.251 -18.261 5.606 1.00 13.31 C ANISOU 36 CA LEU A 4 1460 1709 1886 -122 59 -159 C ATOM 37 C LEU A 4 -7.233 -18.436 4.484 1.00 15.26 C ANISOU 37 C LEU A 4 1572 2081 2144 -196 158 -254 C ATOM 38 O LEU A 4 -7.122 -17.578 3.600 1.00 17.90 O ANISOU 38 O LEU A 4 1987 2319 2495 -324 403 -196 O ATOM 39 CB LEU A 4 -9.600 -17.813 5.048 1.00 12.78 C ANISOU 39 CB LEU A 4 1617 1415 1826 -72 152 120 C ATOM 40 CG LEU A 4 -10.689 -17.480 6.073 1.00 14.99 C ANISOU 40 CG LEU A 4 2035 1501 2159 -15 148 234 C ATOM 41 CD1 LEU A 4 -12.007 -17.116 5.371 1.00 12.42 C ANISOU 41 CD1 LEU A 4 1861 964 1894 37 189 480 C ATOM 42 CD2 LEU A 4 -10.888 -18.639 7.035 1.00 13.54 C ANISOU 42 CD2 LEU A 4 1807 1402 1934 171 -68 205 C ATOM 43 N GLN A 5 -6.469 -19.528 4.520 1.00 14.07 N ANISOU 43 N GLN A 5 1223 2126 1997 -116 -4 -397 N ATOM 44 CA GLN A 5 -5.371 -19.735 3.581 1.00 15.65 C ANISOU 44 CA GLN A 5 1263 2430 2251 -192 127 -525 C ATOM 45 C GLN A 5 -5.803 -20.730 2.509 1.00 16.39 C ANISOU 45 C GLN A 5 1441 2565 2222 -30 79 -393 C ATOM 46 O GLN A 5 -6.046 -21.907 2.800 1.00 16.01 O ANISOU 46 O GLN A 5 1319 2615 2148 146 -166 -389 O ATOM 47 CB GLN A 5 -4.112 -20.206 4.303 1.00 20.87 C ANISOU 47 CB GLN A 5 1616 3252 3064 -230 -8 -800 C ATOM 48 CG GLN A 5 -2.983 -20.572 3.355 1.00 28.31 C ANISOU 48 CG GLN A 5 2353 4277 4127 -289 149 -936 C ATOM 49 CD GLN A 5 -2.385 -19.349 2.675 1.00 36.95 C ANISOU 49 CD GLN A 5 3449 5247 5342 -508 527 -981 C ATOM 50 OE1 GLN A 5 -2.377 -18.251 3.237 1.00 36.88 O ANISOU 50 OE1 GLN A 5 3461 5131 5421 -651 605 -1019 O ATOM 51 NE2 GLN A 5 -1.901 -19.532 1.449 1.00 37.38 N ANISOU 51 NE2 GLN A 5 3504 5297 5400 -531 789 -972 N ATOM 52 N GLU A 6 -5.893 -20.254 1.269 1.00 15.62 N ANISOU 52 N GLU A 6 1515 2379 2041 -84 311 -288 N ATOM 53 CA GLU A 6 -6.287 -21.090 0.145 1.00 15.60 C ANISOU 53 CA GLU A 6 1653 2391 1882 62 264 -179 C ATOM 54 C GLU A 6 -5.089 -21.742 -0.527 1.00 18.56 C ANISOU 54 C GLU A 6 1869 2903 2279 41 392 -360 C ATOM 55 O GLU A 6 -3.976 -21.207 -0.542 1.00 20.45 O ANISOU 55 O GLU A 6 1946 3161 2662 -125 636 -522 O ATOM 56 CB GLU A 6 -7.046 -20.282 -0.910 1.00 15.92 C ANISOU 56 CB GLU A 6 2034 2244 1769 39 420 40 C ATOM 57 CG GLU A 6 -8.307 -19.644 -0.397 1.00 15.90 C ANISOU 57 CG GLU A 6 2184 2062 1795 67 310 238 C ATOM 58 CD GLU A 6 -8.753 -18.472 -1.234 1.00 20.59 C ANISOU 58 CD GLU A 6 3058 2454 2311 -24 518 421 C ATOM 59 OE1 GLU A 6 -9.686 -17.758 -0.822 1.00 15.15 O ANISOU 59 OE1 GLU A 6 2470 1587 1699 -34 482 575 O ATOM 60 OE2 GLU A 6 -8.165 -18.262 -2.313 1.00 27.10 O ANISOU 60 OE2 GLU A 6 4014 3279 3002 -81 736 417 O ATOM 61 N SER A 7 -5.344 -22.897 -1.129 1.00 17.63 N ANISOU 61 N SER A 7 1794 2853 2053 213 245 -335 N ATOM 62 CA SER A 7 -4.349 -23.601 -1.925 1.00 18.46 C ANISOU 62 CA SER A 7 1797 3057 2159 218 393 -488 C ATOM 63 C SER A 7 -5.066 -24.538 -2.886 1.00 20.90 C ANISOU 63 C SER A 7 2332 3358 2253 408 253 -386 C ATOM 64 O SER A 7 -6.258 -24.811 -2.732 1.00 15.61 O ANISOU 64 O SER A 7 1798 2621 1511 547 -23 -225 O ATOM 65 CB SER A 7 -3.354 -24.329 -1.016 1.00 20.88 C ANISOU 65 CB SER A 7 1691 3525 2717 213 275 -717 C ATOM 66 OG SER A 7 -3.997 -25.351 -0.276 1.00 20.64 O ANISOU 66 OG SER A 7 1577 3572 2694 398 -96 -680 O ATOM 67 N GLY A 8 -4.342 -24.980 -3.915 1.00 16.97 N ANISOU 67 N GLY A 8 2046 2411 1993 259 54 494 N ATOM 68 CA GLY A 8 -4.807 -26.034 -4.805 1.00 16.78 C ANISOU 68 CA GLY A 8 2017 2340 2019 334 131 446 C ATOM 69 C GLY A 8 -5.442 -25.636 -6.129 1.00 25.07 C ANISOU 69 C GLY A 8 2894 3461 3172 393 216 341 C ATOM 70 O GLY A 8 -6.042 -26.497 -6.787 1.00 24.73 O ANISOU 70 O GLY A 8 2888 3364 3144 409 285 286 O ATOM 71 N GLY A 9 -5.340 -24.389 -6.547 1.00 18.79 N ANISOU 71 N GLY A 9 1964 2743 2432 391 157 331 N ATOM 72 CA GLY A 9 -5.896 -23.964 -7.819 1.00 19.00 C ANISOU 72 CA GLY A 9 1948 2749 2522 355 123 249 C ATOM 73 C GLY A 9 -4.929 -24.118 -8.976 1.00 17.75 C ANISOU 73 C GLY A 9 1775 2661 2307 351 105 312 C ATOM 74 O GLY A 9 -3.986 -24.910 -8.939 1.00 24.31 O ANISOU 74 O GLY A 9 2599 3533 3106 418 148 334 O ATOM 75 N GLY A 10 -5.175 -23.335 -10.027 1.00 17.74 N ANISOU 75 N GLY A 10 1725 2705 2312 278 23 334 N ATOM 76 CA GLY A 10 -4.272 -23.270 -11.158 1.00 18.49 C ANISOU 76 CA GLY A 10 1729 3007 2291 206 38 419 C ATOM 77 C GLY A 10 -4.952 -23.683 -12.450 1.00 17.26 C ANISOU 77 C GLY A 10 1644 2826 2086 126 63 367 C ATOM 78 O GLY A 10 -6.178 -23.584 -12.588 1.00 14.57 O ANISOU 78 O GLY A 10 1387 2298 1851 114 -43 319 O ATOM 79 N SER A 11 -4.146 -24.157 -13.389 1.00 17.67 N ANISOU 79 N SER A 11 1657 3074 1983 59 205 336 N ATOM 80 CA SER A 11 -4.606 -24.425 -14.741 1.00 18.13 C ANISOU 80 CA SER A 11 1850 3131 1905 -108 223 290 C ATOM 81 C SER A 11 -4.932 -25.900 -14.894 1.00 21.78 C ANISOU 81 C SER A 11 2345 3517 2412 97 403 139 C ATOM 82 O SER A 11 -4.246 -26.762 -14.339 1.00 31.37 O ANISOU 82 O SER A 11 3462 4755 3702 320 526 46 O ATOM 83 CB SER A 11 -3.539 -24.016 -15.750 1.00 24.09 C ANISOU 83 CB SER A 11 2569 4197 2387 -396 310 297 C ATOM 84 OG SER A 11 -3.259 -22.631 -15.632 1.00 32.32 O ANISOU 84 OG SER A 11 3652 5274 3355 -654 75 477 O ATOM 85 N VAL A 12 -5.997 -26.182 -15.638 1.00 17.59 N ANISOU 85 N VAL A 12 1994 2823 1865 5 333 121 N ATOM 86 CA VAL A 12 -6.457 -27.546 -15.854 1.00 17.29 C ANISOU 86 CA VAL A 12 2053 2664 1850 149 446 0 C ATOM 87 C VAL A 12 -7.104 -27.599 -17.230 1.00 17.28 C ANISOU 87 C VAL A 12 2261 2607 1697 -85 381 -14 C ATOM 88 O VAL A 12 -7.610 -26.594 -17.734 1.00 19.51 O ANISOU 88 O VAL A 12 2635 2832 1946 -330 153 102 O ATOM 89 CB VAL A 12 -7.429 -27.977 -14.730 1.00 23.23 C ANISOU 89 CB VAL A 12 2820 3200 2805 288 384 21 C ATOM 90 CG1 VAL A 12 -8.687 -27.139 -14.771 1.00 22.73 C ANISOU 90 CG1 VAL A 12 2765 3007 2863 145 185 69 C ATOM 91 CG2 VAL A 12 -7.760 -29.454 -14.825 1.00 29.27 C ANISOU 91 CG2 VAL A 12 3732 3823 3566 399 456 -69 C ATOM 92 N GLU A 13 -7.057 -28.771 -17.855 1.00 19.05 N ANISOU 92 N GLU A 13 2600 2812 1827 -20 527 -160 N ATOM 93 CA GLU A 13 -7.719 -28.934 -19.135 1.00 21.35 C ANISOU 93 CA GLU A 13 3145 3023 1944 -266 454 -172 C ATOM 94 C GLU A 13 -9.204 -29.218 -18.935 1.00 16.76 C ANISOU 94 C GLU A 13 2675 2138 1554 -262 238 -94 C ATOM 95 O GLU A 13 -9.635 -29.709 -17.890 1.00 17.55 O ANISOU 95 O GLU A 13 2683 2129 1855 -67 251 -96 O ATOM 96 CB GLU A 13 -7.080 -30.074 -19.927 1.00 27.25 C ANISOU 96 CB GLU A 13 3981 3872 2500 -201 702 -414 C ATOM 97 CG GLU A 13 -5.588 -29.898 -20.186 1.00 40.95 C ANISOU 97 CG GLU A 13 5499 5970 4089 -193 955 -582 C ATOM 98 CD GLU A 13 -5.277 -28.692 -21.059 1.00 52.16 C ANISOU 98 CD GLU A 13 6960 7572 5288 -620 883 -454 C ATOM 99 OE1 GLU A 13 -5.844 -28.588 -22.169 1.00 55.66 O ANISOU 99 OE1 GLU A 13 7674 7942 5531 -943 781 -416 O ATOM 100 OE2 GLU A 13 -4.465 -27.842 -20.634 1.00 55.63 O ANISOU 100 OE2 GLU A 13 7191 8180 5766 -662 880 -380 O ATOM 101 N ALA A 14 -9.989 -28.904 -19.963 1.00 18.21 N ANISOU 101 N ALA A 14 3066 2199 1655 -533 23 -27 N ATOM 102 CA ALA A 14 -11.410 -29.218 -19.948 1.00 18.09 C ANISOU 102 CA ALA A 14 3114 1922 1839 -557 -198 14 C ATOM 103 C ALA A 14 -11.618 -30.695 -19.647 1.00 16.60 C ANISOU 103 C ALA A 14 2999 1650 1660 -389 -27 -88 C ATOM 104 O ALA A 14 -10.968 -31.561 -20.239 1.00 19.27 O ANISOU 104 O ALA A 14 3510 2026 1787 -350 143 -207 O ATOM 105 CB ALA A 14 -12.032 -28.873 -21.299 1.00 21.63 C ANISOU 105 CB ALA A 14 3840 2227 2152 -891 -487 93 C ATOM 106 N GLY A 15 -12.527 -30.976 -18.711 1.00 14.89 N ANISOU 106 N GLY A 15 2655 1324 1678 -315 -84 -68 N ATOM 107 CA GLY A 15 -12.774 -32.320 -18.252 1.00 15.55 C ANISOU 107 CA GLY A 15 2853 1302 1754 -231 9 -114 C ATOM 108 C GLY A 15 -11.976 -32.723 -17.030 1.00 17.81 C ANISOU 108 C GLY A 15 3053 1651 2062 -18 172 -140 C ATOM 109 O GLY A 15 -12.235 -33.794 -16.467 1.00 16.77 O ANISOU 109 O GLY A 15 3063 1386 1924 2 169 -141 O ATOM 110 N GLY A 16 -11.017 -31.904 -16.605 1.00 18.36 N ANISOU 110 N GLY A 16 2938 1894 2145 98 259 -137 N ATOM 111 CA GLY A 16 -10.137 -32.263 -15.517 1.00 15.10 C ANISOU 111 CA GLY A 16 2466 1516 1754 295 352 -150 C ATOM 112 C GLY A 16 -10.752 -32.023 -14.159 1.00 15.18 C ANISOU 112 C GLY A 16 2370 1522 1876 228 334 -77 C ATOM 113 O GLY A 16 -11.914 -31.633 -14.010 1.00 13.14 O ANISOU 113 O GLY A 16 2017 1265 1711 56 290 -72 O ATOM 114 N SER A 17 -9.931 -32.274 -13.143 1.00 14.20 N ANISOU 114 N SER A 17 2248 1403 1743 353 363 -52 N ATOM 115 CA SER A 17 -10.325 -32.184 -11.745 1.00 12.35 C ANISOU 115 CA SER A 17 1991 1178 1523 235 370 7 C ATOM 116 C SER A 17 -9.335 -31.313 -10.985 1.00 12.18 C ANISOU 116 C SER A 17 1813 1286 1530 348 395 42 C ATOM 117 O SER A 17 -8.153 -31.235 -11.333 1.00 15.81 O ANISOU 117 O SER A 17 2220 1789 1998 546 385 32 O ATOM 118 CB SER A 17 -10.310 -33.559 -11.066 1.00 15.69 C ANISOU 118 CB SER A 17 2725 1392 1846 181 272 62 C ATOM 119 OG SER A 17 -11.287 -34.418 -11.617 1.00 16.08 O ANISOU 119 OG SER A 17 2959 1306 1843 17 223 54 O ATOM 120 N LEU A 18 -9.834 -30.676 -9.927 1.00 14.54 N ANISOU 120 N LEU A 18 2563 1597 1366 61 56 -183 N ATOM 121 CA LEU A 18 -9.009 -29.940 -8.978 1.00 13.77 C ANISOU 121 CA LEU A 18 2385 1493 1353 176 25 -113 C ATOM 122 C LEU A 18 -9.664 -30.058 -7.614 1.00 13.97 C ANISOU 122 C LEU A 18 2487 1449 1372 55 42 -137 C ATOM 123 O LEU A 18 -10.886 -30.186 -7.510 1.00 15.55 O ANISOU 123 O LEU A 18 2689 1678 1541 -131 71 -198 O ATOM 124 CB LEU A 18 -8.941 -28.443 -9.304 1.00 16.19 C ANISOU 124 CB LEU A 18 2433 1942 1777 213 5 -64 C ATOM 125 CG LEU A 18 -8.104 -27.965 -10.484 1.00 19.65 C ANISOU 125 CG LEU A 18 2764 2461 2243 340 -2 -18 C ATOM 126 CD1 LEU A 18 -8.303 -26.466 -10.642 1.00 21.78 C ANISOU 126 CD1 LEU A 18 2858 2817 2602 337 15 26 C ATOM 127 CD2 LEU A 18 -6.630 -28.289 -10.284 1.00 19.64 C ANISOU 127 CD2 LEU A 18 2796 2448 2217 486 -19 11 C ATOM 128 N ARG A 19 -8.856 -29.974 -6.564 1.00 14.32 N ANISOU 128 N ARG A 19 2569 1441 1432 159 24 -97 N ATOM 129 CA ARG A 19 -9.380 -29.860 -5.204 1.00 13.62 C ANISOU 129 CA ARG A 19 2515 1305 1353 69 34 -107 C ATOM 130 C ARG A 19 -8.783 -28.624 -4.555 1.00 12.73 C ANISOU 130 C ARG A 19 2201 1287 1348 142 -8 -65 C ATOM 131 O ARG A 19 -7.567 -28.555 -4.353 1.00 17.52 O ANISOU 131 O ARG A 19 2782 1928 1947 294 -33 -38 O ATOM 132 CB ARG A 19 -9.067 -31.102 -4.366 1.00 14.75 C ANISOU 132 CB ARG A 19 2961 1276 1369 120 71 -112 C ATOM 133 CG ARG A 19 -9.666 -31.070 -2.960 1.00 15.12 C ANISOU 133 CG ARG A 19 3067 1267 1410 20 91 -122 C ATOM 134 CD ARG A 19 -9.349 -32.371 -2.222 1.00 23.27 C ANISOU 134 CD ARG A 19 4461 2097 2282 97 151 -117 C ATOM 135 NE ARG A 19 -8.028 -32.319 -1.603 1.00 38.47 N ANISOU 135 NE ARG A 19 6386 4058 4171 381 106 -61 N ATOM 136 CZ ARG A 19 -7.775 -32.639 -0.336 1.00 43.85 C ANISOU 136 CZ ARG A 19 7211 4679 4773 482 121 -40 C ATOM 137 NH1 ARG A 19 -8.754 -33.048 0.462 1.00 47.10 N ANISOU 137 NH1 ARG A 19 7803 4949 5143 307 189 -60 N ATOM 138 NH2 ARG A 19 -6.536 -32.549 0.133 1.00 48.09 N ANISOU 138 NH2 ARG A 19 7695 5327 5250 761 71 -6 N ATOM 139 N LEU A 20 -9.630 -27.658 -4.226 1.00 12.10 N ANISOU 139 N LEU A 20 1983 1269 1345 34 -7 -70 N ATOM 140 CA LEU A 20 -9.172 -26.469 -3.521 1.00 11.71 C ANISOU 140 CA LEU A 20 1793 1273 1383 67 -25 -45 C ATOM 141 C LEU A 20 -9.257 -26.728 -2.030 1.00 13.46 C ANISOU 141 C LEU A 20 2091 1439 1582 45 -32 -58 C ATOM 142 O LEU A 20 -10.136 -27.452 -1.558 1.00 13.55 O ANISOU 142 O LEU A 20 2229 1385 1535 -48 -9 -83 O ATOM 143 CB LEU A 20 -10.031 -25.251 -3.859 1.00 11.05 C ANISOU 143 CB LEU A 20 1572 1261 1365 8 -8 -36 C ATOM 144 CG LEU A 20 -10.227 -24.981 -5.354 1.00 12.50 C ANISOU 144 CG LEU A 20 1692 1511 1546 43 8 -21 C ATOM 145 CD1 LEU A 20 -11.005 -23.698 -5.544 1.00 14.27 C ANISOU 145 CD1 LEU A 20 1819 1804 1798 53 37 1 C ATOM 146 CD2 LEU A 20 -8.887 -24.929 -6.058 1.00 16.03 C ANISOU 146 CD2 LEU A 20 2118 1961 2013 138 6 10 C ATOM 147 N SER A 21 -8.323 -26.142 -1.296 1.00 12.68 N ANISOU 147 N SER A 21 1917 1386 1515 114 -55 -51 N ATOM 148 CA SER A 21 -8.269 -26.256 0.155 1.00 12.31 C ANISOU 148 CA SER A 21 1917 1319 1442 122 -67 -64 C ATOM 149 C SER A 21 -8.331 -24.862 0.762 1.00 12.13 C ANISOU 149 C SER A 21 1742 1356 1511 57 -70 -75 C ATOM 150 O SER A 21 -7.775 -23.909 0.212 1.00 12.60 O ANISOU 150 O SER A 21 1682 1477 1627 49 -58 -76 O ATOM 151 CB SER A 21 -6.944 -26.891 0.576 1.00 14.89 C ANISOU 151 CB SER A 21 2288 1694 1675 297 -93 -66 C ATOM 152 OG SER A 21 -6.916 -28.273 0.266 1.00 22.21 O ANISOU 152 OG SER A 21 3440 2519 2481 391 -75 -51 O ATOM 153 N CYS A 22 -8.997 -24.740 1.911 1.00 11.46 N ANISOU 153 N CYS A 22 1687 1240 1427 3 -70 -88 N ATOM 154 CA CYS A 22 -9.004 -23.486 2.658 1.00 11.39 C ANISOU 154 CA CYS A 22 1574 1269 1484 -45 -68 -106 C ATOM 155 C CYS A 22 -8.805 -23.826 4.125 1.00 13.44 C ANISOU 155 C CYS A 22 1876 1536 1697 -16 -93 -129 C ATOM 156 O CYS A 22 -9.698 -24.408 4.747 1.00 13.35 O ANISOU 156 O CYS A 22 1964 1462 1648 -48 -86 -122 O ATOM 157 CB CYS A 22 -10.322 -22.738 2.477 1.00 10.93 C ANISOU 157 CB CYS A 22 1495 1190 1466 -121 -39 -95 C ATOM 158 SG CYS A 22 -10.398 -21.223 3.478 1.00 13.14 S ANISOU 158 SG CYS A 22 1722 1471 1800 -156 -19 -116 S ATOM 159 N ALA A 23 -7.652 -23.453 4.669 1.00 13.06 N ANISOU 159 N ALA A 23 1741 1588 1634 34 -115 -167 N ATOM 160 CA ALA A 23 -7.308 -23.726 6.060 1.00 12.29 C ANISOU 160 CA ALA A 23 1658 1543 1469 97 -144 -196 C ATOM 161 C ALA A 23 -7.665 -22.509 6.900 1.00 14.99 C ANISOU 161 C ALA A 23 1921 1897 1878 -13 -135 -236 C ATOM 162 O ALA A 23 -7.164 -21.408 6.652 1.00 15.96 O ANISOU 162 O ALA A 23 1939 2072 2052 -96 -112 -279 O ATOM 163 CB ALA A 23 -5.819 -24.041 6.194 1.00 16.20 C ANISOU 163 CB ALA A 23 2071 2217 1865 235 -178 -237 C ATOM 164 N ARG A 24 -8.518 -22.714 7.895 1.00 12.79 N ANISOU 164 N ARG A 24 1716 1559 1585 -23 -139 -226 N ATOM 165 CA ARG A 24 -8.969 -21.655 8.788 1.00 11.92 C ANISOU 165 CA ARG A 24 1559 1450 1521 -102 -130 -260 C ATOM 166 C ARG A 24 -8.114 -21.674 10.053 1.00 14.37 C ANISOU 166 C ARG A 24 1818 1879 1764 -44 -167 -320 C ATOM 167 O ARG A 24 -7.987 -22.714 10.703 1.00 18.65 O ANISOU 167 O ARG A 24 2436 2440 2210 75 -192 -302 O ATOM 168 CB ARG A 24 -10.438 -21.909 9.133 1.00 14.33 C ANISOU 168 CB ARG A 24 1950 1669 1825 -138 -115 -220 C ATOM 169 CG ARG A 24 -11.057 -20.972 10.145 1.00 14.32 C ANISOU 169 CG ARG A 24 1923 1671 1847 -181 -109 -247 C ATOM 170 CD ARG A 24 -12.489 -21.435 10.486 1.00 15.60 C ANISOU 170 CD ARG A 24 2146 1809 1973 -212 -94 -214 C ATOM 171 NE ARG A 24 -12.496 -22.623 11.335 1.00 17.71 N ANISOU 171 NE ARG A 24 2512 2059 2157 -189 -102 -204 N ATOM 172 CZ ARG A 24 -12.865 -23.839 10.945 1.00 22.81 C ANISOU 172 CZ ARG A 24 3279 2650 2737 -215 -75 -175 C ATOM 173 NH1 ARG A 24 -12.815 -24.843 11.812 1.00 32.95 N ANISOU 173 NH1 ARG A 24 4714 3881 3924 -183 -57 -161 N ATOM 174 NH2 ARG A 24 -13.287 -24.053 9.709 1.00 20.71 N ANISOU 174 NH2 ARG A 24 3010 2375 2485 -275 -52 -163 N ATOM 175 N SER A 25 -7.510 -20.539 10.393 1.00 13.78 N ANISOU 175 N SER A 25 1631 1888 1716 -129 -157 -399 N ATOM 176 CA SER A 25 -6.723 -20.426 11.618 1.00 14.49 C ANISOU 176 CA SER A 25 1635 2142 1728 -96 -192 -483 C ATOM 177 C SER A 25 -7.139 -19.173 12.373 1.00 15.08 C ANISOU 177 C SER A 25 1697 2176 1855 -231 -161 -543 C ATOM 178 O SER A 25 -7.693 -18.233 11.798 1.00 15.82 O ANISOU 178 O SER A 25 1842 2136 2031 -342 -102 -531 O ATOM 179 CB SER A 25 -5.217 -20.421 11.362 1.00 19.30 C ANISOU 179 CB SER A 25 2086 2988 2257 -75 -209 -568 C ATOM 180 OG SER A 25 -4.838 -19.399 10.459 1.00 19.26 O ANISOU 180 OG SER A 25 2017 2980 2322 -253 -150 -614 O ATOM 181 N GLY A 26 -6.887 -19.181 13.680 1.00 14.66 N ANISOU 181 N GLY A 26 1600 2238 1734 -194 -197 -604 N ATOM 182 CA GLY A 26 -7.234 -18.039 14.506 1.00 14.99 C ANISOU 182 CA GLY A 26 1645 2244 1806 -314 -168 -672 C ATOM 183 C GLY A 26 -8.718 -17.816 14.678 1.00 13.99 C ANISOU 183 C GLY A 26 1652 1922 1741 -306 -145 -591 C ATOM 184 O GLY A 26 -9.140 -16.697 15.004 1.00 15.48 O ANISOU 184 O GLY A 26 1887 2033 1962 -393 -100 -629 O ATOM 185 N TRP A 27 -9.532 -18.847 14.489 1.00 14.31 N ANISOU 185 N TRP A 27 1764 1898 1775 -208 -166 -489 N ATOM 186 CA TRP A 27 -10.973 -18.658 14.565 1.00 13.16 C ANISOU 186 CA TRP A 27 1701 1641 1659 -215 -142 -428 C ATOM 187 C TRP A 27 -11.385 -18.435 16.017 1.00 13.94 C ANISOU 187 C TRP A 27 1807 1771 1717 -194 -159 -459 C ATOM 188 O TRP A 27 -11.020 -19.235 16.894 1.00 16.45 O ANISOU 188 O TRP A 27 2121 2166 1964 -121 -199 -466 O ATOM 189 CB TRP A 27 -11.695 -19.867 13.995 1.00 12.61 C ANISOU 189 CB TRP A 27 1694 1531 1567 -174 -144 -342 C ATOM 190 CG TRP A 27 -13.147 -19.627 13.747 1.00 12.88 C ANISOU 190 CG TRP A 27 1758 1526 1610 -204 -113 -300 C ATOM 191 CD1 TRP A 27 -14.198 -20.274 14.337 1.00 14.12 C ANISOU 191 CD1 TRP A 27 1954 1704 1708 -213 -108 -272 C ATOM 192 CD2 TRP A 27 -13.725 -18.680 12.833 1.00 11.87 C ANISOU 192 CD2 TRP A 27 1619 1370 1521 -214 -75 -286 C ATOM 193 NE1 TRP A 27 -15.388 -19.787 13.850 1.00 12.52 N ANISOU 193 NE1 TRP A 27 1721 1538 1498 -233 -79 -256 N ATOM 194 CE2 TRP A 27 -15.126 -18.809 12.928 1.00 12.50 C ANISOU 194 CE2 TRP A 27 1697 1504 1550 -204 -61 -257 C ATOM 195 CE3 TRP A 27 -13.195 -17.730 11.956 1.00 11.91 C ANISOU 195 CE3 TRP A 27 1628 1321 1575 -223 -38 -298 C ATOM 196 CZ2 TRP A 27 -16.000 -18.024 12.182 1.00 12.94 C ANISOU 196 CZ2 TRP A 27 1737 1593 1586 -154 -26 -238 C ATOM 197 CZ3 TRP A 27 -14.070 -16.958 11.209 1.00 12.65 C ANISOU 197 CZ3 TRP A 27 1756 1390 1659 -176 9 -264 C ATOM 198 CH2 TRP A 27 -15.455 -17.106 11.335 1.00 11.90 C ANISOU 198 CH2 TRP A 27 1641 1381 1498 -118 9 -234 C ATOM 199 N PRO A 28 -12.119 -17.369 16.314 1.00 12.93 N ANISOU 199 N PRO A 28 1711 1590 1613 -227 -126 -475 N ATOM 200 CA PRO A 28 -12.463 -17.044 17.710 1.00 13.31 C ANISOU 200 CA PRO A 28 1764 1673 1618 -205 -142 -514 C ATOM 201 C PRO A 28 -13.819 -17.554 18.179 1.00 14.36 C ANISOU 201 C PRO A 28 1933 1810 1711 -153 -145 -446 C ATOM 202 O PRO A 28 -14.192 -17.266 19.325 1.00 15.30 O ANISOU 202 O PRO A 28 2058 1964 1792 -126 -155 -472 O ATOM 203 CB PRO A 28 -12.477 -15.514 17.671 1.00 13.89 C ANISOU 203 CB PRO A 28 1889 1669 1719 -267 -85 -575 C ATOM 204 CG PRO A 28 -13.040 -15.210 16.308 1.00 13.55 C ANISOU 204 CG PRO A 28 1906 1531 1713 -255 -34 -507 C ATOM 205 CD PRO A 28 -12.449 -16.268 15.390 1.00 13.79 C ANISOU 205 CD PRO A 28 1872 1599 1768 -266 -63 -470 C ATOM 206 N TYR A 29 -14.560 -18.285 17.353 1.00 12.55 N ANISOU 206 N TYR A 29 1720 1570 1477 -157 -130 -375 N ATOM 207 CA TYR A 29 -15.930 -18.638 17.683 1.00 12.66 C ANISOU 207 CA TYR A 29 1742 1637 1432 -156 -114 -335 C ATOM 208 C TYR A 29 -16.101 -20.149 17.789 1.00 12.81 C ANISOU 208 C TYR A 29 1813 1662 1391 -198 -109 -295 C ATOM 209 O TYR A 29 -15.301 -20.932 17.269 1.00 14.56 O ANISOU 209 O TYR A 29 2083 1830 1619 -197 -113 -280 O ATOM 210 CB TYR A 29 -16.905 -18.086 16.640 1.00 13.51 C ANISOU 210 CB TYR A 29 1821 1775 1536 -145 -80 -310 C ATOM 211 CG TYR A 29 -16.864 -16.588 16.484 1.00 13.21 C ANISOU 211 CG TYR A 29 1812 1688 1521 -72 -55 -334 C ATOM 212 CD1 TYR A 29 -17.028 -15.751 17.585 1.00 13.97 C ANISOU 212 CD1 TYR A 29 1941 1778 1588 -24 -51 -373 C ATOM 213 CD2 TYR A 29 -16.667 -16.003 15.238 1.00 13.95 C ANISOU 213 CD2 TYR A 29 1935 1718 1647 -48 -19 -318 C ATOM 214 CE1 TYR A 29 -17.008 -14.377 17.445 1.00 13.99 C ANISOU 214 CE1 TYR A 29 2038 1691 1586 41 -2 -397 C ATOM 215 CE2 TYR A 29 -16.642 -14.633 15.089 1.00 13.53 C ANISOU 215 CE2 TYR A 29 1980 1574 1586 22 36 -334 C ATOM 216 CZ TYR A 29 -16.810 -13.823 16.193 1.00 14.16 C ANISOU 216 CZ TYR A 29 2125 1625 1630 63 49 -375 C ATOM 217 OH TYR A 29 -16.803 -12.456 16.062 1.00 15.16 O ANISOU 217 OH TYR A 29 2415 1620 1725 133 127 -394 O ATOM 218 N SER A 30 -17.166 -20.550 18.484 1.00 13.62 N ANISOU 218 N SER A 30 1930 1829 1415 -237 -84 -282 N ATOM 219 C SER A 30 -18.306 -22.491 17.459 1.00 16.80 C ANISOU 219 C SER A 30 2430 2249 1705 -447 6 -243 C ATOM 220 O SER A 30 -18.576 -23.697 17.402 1.00 18.05 O ANISOU 220 O SER A 30 2714 2361 1782 -564 65 -230 O ATOM 221 CA ASER A 30 -17.527 -21.953 18.643 0.35 15.48 C ANISOU 221 CA ASER A 30 2272 2045 1565 -322 -40 -251 C ATOM 222 CB ASER A 30 -18.391 -22.130 19.892 0.35 15.62 C ANISOU 222 CB ASER A 30 2309 2134 1491 -356 -13 -253 C ATOM 223 OG ASER A 30 -17.647 -21.909 21.070 0.35 14.22 O ANISOU 223 OG ASER A 30 2164 1928 1312 -242 -50 -261 O ATOM 224 CA BSER A 30 -17.496 -21.959 18.628 0.65 13.48 C ANISOU 224 CA BSER A 30 2020 1789 1313 -321 -41 -250 C ATOM 225 CB BSER A 30 -18.254 -22.186 19.940 0.65 16.20 C ANISOU 225 CB BSER A 30 2396 2194 1567 -347 -15 -251 C ATOM 226 OG BSER A 30 -19.452 -21.431 19.972 0.65 17.27 O ANISOU 226 OG BSER A 30 2404 2482 1676 -377 -7 -273 O ATOM 227 N THR A 31 -18.692 -21.626 16.529 1.00 13.44 N ANISOU 227 N THR A 31 1879 1904 1323 -426 -9 -255 N ATOM 228 CA THR A 31 -19.474 -22.032 15.374 1.00 13.61 C ANISOU 228 CA THR A 31 1851 2020 1299 -528 27 -263 C ATOM 229 C THR A 31 -18.905 -21.344 14.150 1.00 12.96 C ANISOU 229 C THR A 31 1720 1901 1305 -438 -1 -252 C ATOM 230 O THR A 31 -18.174 -20.360 14.254 1.00 12.50 O ANISOU 230 O THR A 31 1655 1769 1326 -321 -32 -247 O ATOM 231 CB THR A 31 -20.946 -21.616 15.515 1.00 15.03 C ANISOU 231 CB THR A 31 1889 2447 1373 -563 50 -297 C ATOM 232 OG1 THR A 31 -21.040 -20.188 15.597 1.00 16.32 O ANISOU 232 OG1 THR A 31 1969 2665 1567 -377 14 -294 O ATOM 233 CG2 THR A 31 -21.566 -22.217 16.778 1.00 15.29 C ANISOU 233 CG2 THR A 31 1963 2539 1310 -671 89 -312 C ATOM 234 N TYR A 32 -19.261 -21.865 12.979 1.00 13.16 N ANISOU 234 N TYR A 32 1719 1980 1300 -514 23 -258 N ATOM 235 CA TYR A 32 -18.898 -21.210 11.726 1.00 12.72 C ANISOU 235 CA TYR A 32 1612 1915 1306 -425 8 -243 C ATOM 236 C TYR A 32 -19.773 -21.762 10.615 1.00 13.32 C ANISOU 236 C TYR A 32 1614 2151 1298 -517 37 -269 C ATOM 237 O TYR A 32 -20.354 -22.846 10.722 1.00 14.06 O ANISOU 237 O TYR A 32 1733 2306 1302 -696 77 -306 O ATOM 238 CB TYR A 32 -17.419 -21.428 11.360 1.00 12.02 C ANISOU 238 CB TYR A 32 1614 1633 1320 -390 -15 -218 C ATOM 239 CG TYR A 32 -17.038 -22.883 11.234 1.00 13.25 C ANISOU 239 CG TYR A 32 1890 1703 1442 -487 4 -214 C ATOM 240 CD1 TYR A 32 -17.268 -23.589 10.058 1.00 13.04 C ANISOU 240 CD1 TYR A 32 1880 1691 1384 -566 30 -220 C ATOM 241 CD2 TYR A 32 -16.454 -23.554 12.299 1.00 16.21 C ANISOU 241 CD2 TYR A 32 2391 1978 1792 -478 4 -204 C ATOM 242 CE1 TYR A 32 -16.946 -24.929 9.961 1.00 14.83 C ANISOU 242 CE1 TYR A 32 2277 1803 1555 -649 67 -218 C ATOM 243 CE2 TYR A 32 -16.121 -24.893 12.204 1.00 14.69 C ANISOU 243 CE2 TYR A 32 2375 1675 1532 -525 42 -190 C ATOM 244 CZ TYR A 32 -16.369 -25.568 11.025 1.00 14.60 C ANISOU 244 CZ TYR A 32 2407 1647 1491 -617 78 -198 C ATOM 245 OH TYR A 32 -16.047 -26.899 10.920 1.00 20.18 O ANISOU 245 OH TYR A 32 3347 2210 2112 -660 135 -186 O ATOM 246 N SER A 33 -19.844 -21.003 9.535 1.00 15.65 N ANISOU 246 N SER A 33 2335 2480 1129 -36 465 -262 N ATOM 247 CA SER A 33 -20.088 -21.589 8.228 1.00 13.15 C ANISOU 247 CA SER A 33 1843 2005 1148 27 369 -129 C ATOM 248 C SER A 33 -18.978 -21.112 7.310 1.00 11.99 C ANISOU 248 C SER A 33 1708 1810 1039 -91 225 -280 C ATOM 249 O SER A 33 -18.450 -20.009 7.477 1.00 13.54 O ANISOU 249 O SER A 33 2050 1985 1110 -207 263 -490 O ATOM 250 CB SER A 33 -21.493 -21.274 7.659 1.00 17.07 C ANISOU 250 CB SER A 33 2294 2304 1886 154 534 -38 C ATOM 251 OG SER A 33 -21.760 -19.891 7.607 1.00 16.26 O ANISOU 251 OG SER A 33 2348 2058 1771 172 720 -198 O ATOM 252 N AMET A 34 -18.633 -21.959 6.340 0.67 11.86 N ANISOU 252 N AMET A 34 1550 1757 1199 -70 86 -178 N ATOM 253 CA AMET A 34 -17.579 -21.692 5.369 0.67 11.25 C ANISOU 253 CA AMET A 34 1452 1649 1173 -147 -21 -269 C ATOM 254 C AMET A 34 -18.168 -21.844 3.980 0.67 10.63 C ANISOU 254 C AMET A 34 1336 1394 1308 -87 -24 -229 C ATOM 255 O AMET A 34 -18.864 -22.829 3.709 0.67 11.35 O ANISOU 255 O AMET A 34 1352 1442 1520 -26 -50 -105 O ATOM 256 CB AMET A 34 -16.460 -22.730 5.487 0.67 15.64 C ANISOU 256 CB AMET A 34 1876 2359 1707 -152 -158 -167 C ATOM 257 CG AMET A 34 -15.906 -22.910 6.860 0.67 24.08 C ANISOU 257 CG AMET A 34 2918 3689 2544 -201 -214 -111 C ATOM 258 SD AMET A 34 -14.687 -21.648 7.157 0.67 21.82 S ANISOU 258 SD AMET A 34 2682 3557 2052 -433 -301 -320 S ATOM 259 CE AMET A 34 -13.448 -22.007 5.915 0.67 20.46 C ANISOU 259 CE AMET A 34 2322 3368 2085 -425 -394 -247 C ATOM 260 N BMET A 34 -18.597 -21.962 6.365 0.33 12.03 N ANISOU 260 N BMET A 34 1572 1785 1214 -73 83 -179 N ATOM 261 CA BMET A 34 -17.578 -21.631 5.381 0.33 11.48 C ANISOU 261 CA BMET A 34 1487 1676 1197 -151 -17 -277 C ATOM 262 C BMET A 34 -18.153 -21.836 3.989 0.33 10.51 C ANISOU 262 C BMET A 34 1322 1381 1291 -89 -24 -230 C ATOM 263 O BMET A 34 -18.853 -22.823 3.737 0.33 10.87 O ANISOU 263 O BMET A 34 1291 1384 1455 -26 -50 -105 O ATOM 264 CB BMET A 34 -16.323 -22.501 5.555 0.33 15.05 C ANISOU 264 CB BMET A 34 1817 2302 1601 -179 -160 -199 C ATOM 265 CG BMET A 34 -15.855 -22.647 6.996 0.33 22.31 C ANISOU 265 CG BMET A 34 2720 3484 2272 -232 -211 -151 C ATOM 266 SD BMET A 34 -14.064 -22.755 7.198 0.33 13.28 S ANISOU 266 SD BMET A 34 1414 2614 1017 -351 -400 -109 S ATOM 267 CE BMET A 34 -13.567 -21.061 6.995 0.33 26.22 C ANISOU 267 CE BMET A 34 3201 4138 2625 -547 -364 -375 C ATOM 268 N ASN A 35 -17.869 -20.891 3.095 1.00 10.10 N ANISOU 268 N ASN A 35 1324 1238 1276 -130 -4 -324 N ATOM 269 CA ASN A 35 -18.292 -20.967 1.701 1.00 9.09 C ANISOU 269 CA ASN A 35 1169 1010 1275 -91 -33 -275 C ATOM 270 C ASN A 35 -17.092 -20.930 0.775 1.00 8.66 C ANISOU 270 C ASN A 35 1113 971 1206 -141 -85 -333 C ATOM 271 O ASN A 35 -16.030 -20.387 1.107 1.00 10.73 O ANISOU 271 O ASN A 35 1382 1289 1408 -222 -75 -407 O ATOM 272 CB ASN A 35 -19.168 -19.775 1.294 1.00 11.02 C ANISOU 272 CB ASN A 35 1462 1139 1587 -49 79 -250 C ATOM 273 CG ASN A 35 -20.638 -19.984 1.599 1.00 12.93 C ANISOU 273 CG ASN A 35 1631 1361 1922 46 132 -105 C ATOM 274 OD1 ASN A 35 -21.003 -20.766 2.475 1.00 14.54 O ANISOU 274 OD1 ASN A 35 1788 1624 2113 63 134 -58 O ATOM 275 ND2 ASN A 35 -21.488 -19.266 0.882 1.00 13.72 N ANISOU 275 ND2 ASN A 35 1690 1394 2129 118 188 13 N ATOM 276 N TRP A 36 -17.288 -21.504 -0.403 1.00 9.86 N ANISOU 276 N TRP A 36 1254 1090 1404 -110 -134 -300 N ATOM 277 CA TRP A 36 -16.496 -21.152 -1.574 1.00 12.70 C ANISOU 277 CA TRP A 36 1643 1447 1735 -128 -121 -333 C ATOM 278 C TRP A 36 -17.359 -20.282 -2.468 1.00 11.63 C ANISOU 278 C TRP A 36 1547 1264 1606 -113 -102 -268 C ATOM 279 O TRP A 36 -18.488 -20.658 -2.801 1.00 11.94 O ANISOU 279 O TRP A 36 1561 1310 1666 -90 -171 -194 O ATOM 280 CB TRP A 36 -16.047 -22.397 -2.334 1.00 12.54 C ANISOU 280 CB TRP A 36 1628 1433 1705 -97 -154 -356 C ATOM 281 CG TRP A 36 -14.929 -23.103 -1.647 1.00 13.24 C ANISOU 281 CG TRP A 36 1641 1570 1822 -65 -131 -351 C ATOM 282 CD1 TRP A 36 -15.027 -24.181 -0.809 1.00 15.61 C ANISOU 282 CD1 TRP A 36 1889 1862 2180 -17 -153 -295 C ATOM 283 CD2 TRP A 36 -13.536 -22.771 -1.714 1.00 10.75 C ANISOU 283 CD2 TRP A 36 1248 1339 1498 -71 -78 -342 C ATOM 284 NE1 TRP A 36 -13.782 -24.543 -0.364 1.00 14.28 N ANISOU 284 NE1 TRP A 36 1610 1784 2031 31 -124 -232 N ATOM 285 CE2 TRP A 36 -12.846 -23.696 -0.896 1.00 12.15 C ANISOU 285 CE2 TRP A 36 1305 1587 1725 -10 -87 -261 C ATOM 286 CE3 TRP A 36 -12.803 -21.780 -2.381 1.00 14.90 C ANISOU 286 CE3 TRP A 36 1764 1897 2000 -124 -17 -353 C ATOM 287 CZ2 TRP A 36 -11.458 -23.669 -0.748 1.00 15.25 C ANISOU 287 CZ2 TRP A 36 1537 2114 2143 1 -57 -182 C ATOM 288 CZ3 TRP A 36 -11.424 -21.747 -2.221 1.00 16.38 C ANISOU 288 CZ3 TRP A 36 1803 2196 2223 -139 22 -299 C ATOM 289 CH2 TRP A 36 -10.769 -22.691 -1.404 1.00 15.94 C ANISOU 289 CH2 TRP A 36 1597 2244 2215 -76 -10 -209 C ATOM 290 N PHE A 37 -16.835 -19.114 -2.824 1.00 10.35 N ANISOU 290 N PHE A 37 1422 1065 1447 -134 -11 -261 N ATOM 291 CA PHE A 37 -17.416 -18.215 -3.816 1.00 11.21 C ANISOU 291 CA PHE A 37 1555 1137 1569 -92 33 -134 C ATOM 292 C PHE A 37 -16.520 -18.232 -5.043 1.00 12.31 C ANISOU 292 C PHE A 37 1724 1341 1612 -109 45 -123 C ATOM 293 O PHE A 37 -15.381 -18.689 -4.997 1.00 12.75 O ANISOU 293 O PHE A 37 1770 1435 1639 -145 66 -214 O ATOM 294 CB PHE A 37 -17.476 -16.773 -3.287 1.00 11.46 C ANISOU 294 CB PHE A 37 1632 1010 1710 -91 197 -109 C ATOM 295 CG PHE A 37 -18.574 -16.522 -2.285 1.00 12.52 C ANISOU 295 CG PHE A 37 1767 1060 1929 -24 263 -87 C ATOM 296 CD1 PHE A 37 -18.377 -16.785 -0.931 1.00 12.43 C ANISOU 296 CD1 PHE A 37 1792 1045 1886 -77 284 -238 C ATOM 297 CD2 PHE A 37 -19.793 -16.001 -2.693 1.00 12.79 C ANISOU 297 CD2 PHE A 37 1750 1046 2062 108 323 119 C ATOM 298 CE1 PHE A 37 -19.393 -16.547 -0.015 1.00 11.52 C ANISOU 298 CE1 PHE A 37 1696 859 1821 5 397 -215 C ATOM 299 CE2 PHE A 37 -20.814 -15.768 -1.776 1.00 13.42 C ANISOU 299 CE2 PHE A 37 1808 1047 2245 207 440 170 C ATOM 300 CZ PHE A 37 -20.611 -16.035 -0.434 1.00 13.43 C ANISOU 300 CZ PHE A 37 1882 1023 2199 157 496 -14 C ATOM 301 N ARG A 38 -17.035 -17.725 -6.158 1.00 12.62 N ANISOU 301 N ARG A 38 1781 1420 1593 -65 46 27 N ATOM 302 CA ARG A 38 -16.181 -17.544 -7.323 1.00 11.60 C ANISOU 302 CA ARG A 38 1700 1365 1344 -68 107 67 C ATOM 303 C ARG A 38 -16.602 -16.288 -8.068 1.00 12.47 C ANISOU 303 C ARG A 38 1812 1453 1473 -13 190 305 C ATOM 304 O ARG A 38 -17.755 -15.857 -7.993 1.00 16.07 O ANISOU 304 O ARG A 38 2221 1890 1995 54 155 461 O ATOM 305 CB ARG A 38 -16.194 -18.765 -8.266 1.00 11.72 C ANISOU 305 CB ARG A 38 1781 1530 1142 -73 4 -12 C ATOM 306 CG ARG A 38 -17.435 -18.911 -9.108 1.00 14.48 C ANISOU 306 CG ARG A 38 2145 2016 1341 -78 -153 98 C ATOM 307 CD ARG A 38 -17.367 -20.207 -9.905 1.00 16.07 C ANISOU 307 CD ARG A 38 2471 2324 1309 -146 -249 -76 C ATOM 308 NE ARG A 38 -18.569 -20.450 -10.683 1.00 22.33 N ANISOU 308 NE ARG A 38 3270 3293 1920 -226 -463 -2 N ATOM 309 CZ ARG A 38 -18.756 -21.520 -11.452 1.00 24.78 C ANISOU 309 CZ ARG A 38 3726 3701 1990 -347 -582 -181 C ATOM 310 NH1 ARG A 38 -17.816 -22.454 -11.541 1.00 19.88 N ANISOU 310 NH1 ARG A 38 3239 2959 1356 -326 -438 -429 N ATOM 311 NH2 ARG A 38 -19.884 -21.654 -12.134 1.00 30.28 N ANISOU 311 NH2 ARG A 38 4354 4557 2594 -416 -772 -102 N ATOM 312 N GLN A 39 -15.649 -15.697 -8.787 1.00 13.21 N ANISOU 312 N GLN A 39 1935 1549 1533 -24 326 377 N ATOM 313 CA GLN A 39 -15.923 -14.549 -9.643 1.00 15.28 C ANISOU 313 CA GLN A 39 2203 1795 1808 44 434 659 C ATOM 314 C GLN A 39 -15.327 -14.841 -11.008 1.00 16.77 C ANISOU 314 C GLN A 39 2446 2194 1733 58 456 737 C ATOM 315 O GLN A 39 -14.104 -14.804 -11.182 1.00 17.04 O ANISOU 315 O GLN A 39 2488 2214 1773 15 600 682 O ATOM 316 CB GLN A 39 -15.365 -13.257 -9.051 1.00 17.72 C ANISOU 316 CB GLN A 39 2513 1830 2391 0 650 706 C ATOM 317 CG GLN A 39 -15.789 -12.004 -9.814 1.00 23.71 C ANISOU 317 CG GLN A 39 3277 2491 3242 102 806 1048 C ATOM 318 CD GLN A 39 -15.530 -10.732 -9.031 1.00 36.00 C ANISOU 318 CD GLN A 39 4853 3729 5098 53 981 981 C ATOM 319 OE1 GLN A 39 -15.014 -10.770 -7.912 1.00 45.98 O ANISOU 319 OE1 GLN A 39 6149 4857 6465 -87 995 716 O ATOM 320 NE2 GLN A 39 -15.899 -9.597 -9.610 1.00 42.50 N ANISOU 320 NE2 GLN A 39 5651 4474 6022 160 1086 1186 N ATOM 321 N ALA A 40 -16.195 -15.119 -11.972 1.00 13.91 N ANISOU 321 N ALA A 40 2000 1616 1670 128 492 437 N ATOM 322 CA ALA A 40 -15.769 -15.387 -13.335 1.00 14.24 C ANISOU 322 CA ALA A 40 2074 1719 1617 72 503 462 C ATOM 323 C ALA A 40 -15.551 -14.071 -14.073 1.00 16.64 C ANISOU 323 C ALA A 40 2455 1944 1923 154 613 588 C ATOM 324 O ALA A 40 -16.075 -13.030 -13.668 1.00 18.05 O ANISOU 324 O ALA A 40 2647 2051 2159 279 688 696 O ATOM 325 CB ALA A 40 -16.844 -16.202 -14.046 1.00 16.78 C ANISOU 325 CB ALA A 40 2344 2271 1762 25 393 522 C ATOM 326 N PRO A 41 -14.784 -14.089 -15.164 1.00 17.14 N ANISOU 326 N PRO A 41 2590 1989 1932 92 670 586 N ATOM 327 CA PRO A 41 -14.477 -12.840 -15.875 1.00 18.50 C ANISOU 327 CA PRO A 41 2847 2067 2114 170 796 706 C ATOM 328 C PRO A 41 -15.728 -12.069 -16.270 1.00 23.43 C ANISOU 328 C PRO A 41 3430 2812 2662 322 788 952 C ATOM 329 O PRO A 41 -16.652 -12.613 -16.877 1.00 22.51 O ANISOU 329 O PRO A 41 3232 2943 2379 298 652 1072 O ATOM 330 CB PRO A 41 -13.694 -13.320 -17.101 1.00 18.86 C ANISOU 330 CB PRO A 41 2976 2125 2066 60 841 670 C ATOM 331 CG PRO A 41 -13.028 -14.582 -16.622 1.00 16.29 C ANISOU 331 CG PRO A 41 2617 1766 1807 -59 828 494 C ATOM 332 CD PRO A 41 -14.064 -15.239 -15.746 1.00 15.50 C ANISOU 332 CD PRO A 41 2415 1795 1677 -49 683 471 C ATOM 333 N GLY A 42 -15.751 -10.787 -15.908 1.00 27.51 N ANISOU 333 N GLY A 42 3998 3152 3301 464 955 1050 N ATOM 334 CA GLY A 42 -16.866 -9.913 -16.204 1.00 27.18 C ANISOU 334 CA GLY A 42 3874 3185 3269 652 994 1296 C ATOM 335 C GLY A 42 -18.157 -10.219 -15.477 1.00 29.40 C ANISOU 335 C GLY A 42 4001 3593 3575 741 918 1399 C ATOM 336 O GLY A 42 -19.167 -9.560 -15.750 1.00 31.45 O ANISOU 336 O GLY A 42 4123 3948 3877 896 947 1608 O ATOM 337 N LYS A 43 -18.173 -11.184 -14.563 1.00 26.51 N ANISOU 337 N LYS A 43 3626 3239 3208 649 831 1251 N ATOM 338 CA LYS A 43 -19.391 -11.552 -13.860 1.00 27.03 C ANISOU 338 CA LYS A 43 3547 3424 3300 727 764 1346 C ATOM 339 C LYS A 43 -19.290 -11.168 -12.390 1.00 26.88 C ANISOU 339 C LYS A 43 3631 3139 3443 763 925 1202 C ATOM 340 O LYS A 43 -18.201 -10.945 -11.852 1.00 28.69 O ANISOU 340 O LYS A 43 4023 3161 3719 646 1005 982 O ATOM 341 CB LYS A 43 -19.664 -13.055 -13.990 1.00 27.46 C ANISOU 341 CB LYS A 43 3498 3727 3208 549 514 1227 C ATOM 342 CG LYS A 43 -19.922 -13.506 -15.424 1.00 31.16 C ANISOU 342 CG LYS A 43 3908 4481 3450 435 362 1357 C ATOM 343 CD LYS A 43 -20.650 -14.843 -15.455 1.00 41.09 C ANISOU 343 CD LYS A 43 5060 6000 4554 258 160 1300 C ATOM 344 CE LYS A 43 -21.182 -15.150 -16.847 1.00 48.65 C ANISOU 344 CE LYS A 43 5964 7265 5258 89 4 1438 C ATOM 345 NZ LYS A 43 -22.176 -16.260 -16.830 1.00 54.04 N ANISOU 345 NZ LYS A 43 6519 8194 5820 -99 -175 1398 N ATOM 346 N GLU A 44 -20.443 -11.091 -11.737 1.00 31.16 N ANISOU 346 N GLU A 44 4068 3712 4060 889 967 1316 N ATOM 347 CA GLU A 44 -20.441 -10.818 -10.312 1.00 32.39 C ANISOU 347 CA GLU A 44 4357 3622 4326 886 1133 1163 C ATOM 348 C GLU A 44 -20.079 -12.072 -9.525 1.00 25.35 C ANISOU 348 C GLU A 44 3467 2790 3374 702 938 919 C ATOM 349 O GLU A 44 -20.280 -13.202 -9.980 1.00 25.27 O ANISOU 349 O GLU A 44 3309 3025 3268 629 708 899 O ATOM 350 CB GLU A 44 -21.792 -10.267 -9.854 1.00 41.61 C ANISOU 350 CB GLU A 44 5403 4805 5602 1062 1292 1318 C ATOM 351 CG GLU A 44 -22.982 -11.147 -10.174 1.00 53.34 C ANISOU 351 CG GLU A 44 6609 6604 7054 1110 1092 1507 C ATOM 352 CD GLU A 44 -24.281 -10.572 -9.633 1.00 64.99 C ANISOU 352 CD GLU A 44 7954 8077 8661 1260 1300 1681 C ATOM 353 OE1 GLU A 44 -24.246 -9.472 -9.041 1.00 67.21 O ANISOU 353 OE1 GLU A 44 8387 8106 9045 1338 1630 1656 O ATOM 354 OE2 GLU A 44 -25.336 -11.221 -9.798 1.00 68.88 O ANISOU 354 OE2 GLU A 44 8207 8825 9141 1270 1160 1844 O ATOM 355 N ARG A 45 -19.526 -11.855 -8.337 1.00 23.59 N ANISOU 355 N ARG A 45 3421 2352 3188 592 1042 718 N ATOM 356 CA ARG A 45 -19.174 -12.949 -7.444 1.00 22.86 C ANISOU 356 CA ARG A 45 3314 2323 3048 423 870 508 C ATOM 357 C ARG A 45 -20.425 -13.726 -7.049 1.00 22.59 C ANISOU 357 C ARG A 45 3136 2425 3023 516 796 578 C ATOM 358 O ARG A 45 -21.460 -13.139 -6.718 1.00 26.84 O ANISOU 358 O ARG A 45 3671 2884 3644 680 969 732 O ATOM 359 CB ARG A 45 -18.507 -12.357 -6.208 1.00 26.34 C ANISOU 359 CB ARG A 45 3983 2532 3492 265 1008 336 C ATOM 360 CG ARG A 45 -17.822 -13.340 -5.301 1.00 24.56 C ANISOU 360 CG ARG A 45 3742 2388 3203 56 820 157 C ATOM 361 CD ARG A 45 -17.292 -12.607 -4.083 1.00 30.06 C ANISOU 361 CD ARG A 45 4683 2891 3846 -155 952 20 C ATOM 362 NE ARG A 45 -15.899 -12.198 -4.236 1.00 40.51 N ANISOU 362 NE ARG A 45 6064 4196 5130 -374 915 -53 N ATOM 363 CZ ARG A 45 -15.239 -11.467 -3.341 1.00 45.88 C ANISOU 363 CZ ARG A 45 6944 4773 5714 -632 995 -174 C ATOM 364 NH1 ARG A 45 -15.847 -11.058 -2.235 1.00 47.60 N ANISOU 364 NH1 ARG A 45 7326 4922 5837 -673 1124 -250 N ATOM 365 NH2 ARG A 45 -13.972 -11.139 -3.553 1.00 51.24 N ANISOU 365 NH2 ARG A 45 7602 5511 6357 -821 918 -210 N ATOM 366 N GLU A 46 -20.332 -15.054 -7.088 1.00 15.50 N ANISOU 366 N GLU A 46 2118 1713 2059 417 576 481 N ATOM 367 CA GLU A 46 -21.468 -15.907 -6.778 1.00 17.14 C ANISOU 367 CA GLU A 46 2185 2066 2263 465 494 529 C ATOM 368 C GLU A 46 -21.028 -17.045 -5.872 1.00 12.74 C ANISOU 368 C GLU A 46 1644 1520 1677 326 386 329 C ATOM 369 O GLU A 46 -19.891 -17.524 -5.941 1.00 12.03 O ANISOU 369 O GLU A 46 1583 1428 1559 199 311 209 O ATOM 370 CB GLU A 46 -22.095 -16.494 -8.050 1.00 22.61 C ANISOU 370 CB GLU A 46 2690 3030 2869 472 346 670 C ATOM 371 CG GLU A 46 -21.157 -17.411 -8.825 1.00 28.42 C ANISOU 371 CG GLU A 46 3444 3859 3497 299 217 528 C ATOM 372 CD GLU A 46 -21.778 -17.968 -10.096 1.00 40.29 C ANISOU 372 CD GLU A 46 4834 5624 4850 223 95 637 C ATOM 373 OE1 GLU A 46 -22.833 -17.448 -10.526 1.00 45.69 O ANISOU 373 OE1 GLU A 46 5383 6462 5513 314 72 880 O ATOM 374 OE2 GLU A 46 -21.200 -18.922 -10.666 1.00 35.15 O ANISOU 374 OE2 GLU A 46 4232 5027 4095 55 41 500 O ATOM 375 N ALA A 47 -21.955 -17.482 -5.028 1.00 12.90 N ANISOU 375 N ALA A 47 1625 1553 1724 368 397 330 N ATOM 376 CA ALA A 47 -21.686 -18.617 -4.163 1.00 10.82 C ANISOU 376 CA ALA A 47 1363 1313 1436 260 306 177 C ATOM 377 C ALA A 47 -21.600 -19.898 -4.978 1.00 12.76 C ANISOU 377 C ALA A 47 1484 1740 1625 187 168 144 C ATOM 378 O ALA A 47 -22.390 -20.120 -5.902 1.00 17.59 O ANISOU 378 O ALA A 47 1985 2510 2189 203 121 239 O ATOM 379 CB ALA A 47 -22.809 -18.750 -3.136 1.00 13.91 C ANISOU 379 CB ALA A 47 1752 1663 1869 332 381 197 C ATOM 380 N VAL A 48 -20.620 -20.728 -4.646 1.00 12.46 N ANISOU 380 N VAL A 48 1469 1681 1585 85 125 29 N ATOM 381 CA VAL A 48 -20.505 -22.075 -5.198 1.00 10.59 C ANISOU 381 CA VAL A 48 1169 1539 1316 11 88 -24 C ATOM 382 C VAL A 48 -21.026 -23.123 -4.226 1.00 10.79 C ANISOU 382 C VAL A 48 1165 1575 1360 0 85 -83 C ATOM 383 O VAL A 48 -21.862 -23.953 -4.585 1.00 11.75 O ANISOU 383 O VAL A 48 1235 1795 1437 -38 79 -102 O ATOM 384 CB VAL A 48 -19.044 -22.374 -5.600 1.00 12.03 C ANISOU 384 CB VAL A 48 1376 1663 1532 -53 116 -54 C ATOM 385 CG1 VAL A 48 -18.937 -23.773 -6.205 1.00 12.71 C ANISOU 385 CG1 VAL A 48 1448 1781 1600 -124 177 -109 C ATOM 386 CG2 VAL A 48 -18.541 -21.322 -6.574 1.00 15.09 C ANISOU 386 CG2 VAL A 48 1804 2029 1902 -45 134 -2 C ATOM 387 N ALA A 49 -20.540 -23.097 -2.985 1.00 10.70 N ANISOU 387 N ALA A 49 1195 1477 1394 3 87 -108 N ATOM 388 CA ALA A 49 -20.807 -24.172 -2.042 1.00 10.26 C ANISOU 388 CA ALA A 49 1119 1423 1357 -7 93 -149 C ATOM 389 C ALA A 49 -20.704 -23.628 -0.626 1.00 11.33 C ANISOU 389 C ALA A 49 1336 1485 1482 -16 82 -150 C ATOM 390 O ALA A 49 -20.002 -22.644 -0.368 1.00 11.15 O ANISOU 390 O ALA A 49 1392 1410 1435 -70 69 -136 O ATOM 391 CB ALA A 49 -19.811 -25.322 -2.213 1.00 11.80 C ANISOU 391 CB ALA A 49 1270 1613 1602 -48 131 -149 C ATOM 392 N GLY A 50 -21.396 -24.295 0.296 1.00 10.36 N ANISOU 392 N GLY A 50 1220 1359 1358 0 102 -177 N ATOM 393 CA GLY A 50 -21.355 -23.917 1.700 1.00 9.58 C ANISOU 393 CA GLY A 50 1239 1192 1209 -49 107 -190 C ATOM 394 C GLY A 50 -21.414 -25.132 2.600 1.00 9.96 C ANISOU 394 C GLY A 50 1256 1271 1259 -58 97 -189 C ATOM 395 O GLY A 50 -21.962 -26.175 2.242 1.00 11.72 O ANISOU 395 O GLY A 50 1391 1524 1536 0 138 -205 O ATOM 396 N ILE A 51 -20.852 -24.976 3.802 1.00 10.59 N ANISOU 396 N ILE A 51 1424 1345 1256 -163 52 -165 N ATOM 397 CA ILE A 51 -20.830 -26.029 4.811 1.00 10.90 C ANISOU 397 CA ILE A 51 1442 1423 1278 -176 37 -123 C ATOM 398 C ILE A 51 -20.729 -25.323 6.148 1.00 14.42 C ANISOU 398 C ILE A 51 2078 1843 1557 -334 8 -137 C ATOM 399 O ILE A 51 -20.323 -24.167 6.223 1.00 12.52 O ANISOU 399 O ILE A 51 1968 1568 1222 -467 -7 -168 O ATOM 400 CB ILE A 51 -19.632 -26.984 4.563 1.00 12.48 C ANISOU 400 CB ILE A 51 1465 1723 1554 -172 -18 21 C ATOM 401 CG1 ILE A 51 -19.771 -28.288 5.350 1.00 13.70 C ANISOU 401 CG1 ILE A 51 1562 1900 1743 -118 28 98 C ATOM 402 CG2 ILE A 51 -18.298 -26.288 4.839 1.00 13.99 C ANISOU 402 CG2 ILE A 51 1628 2009 1677 -324 -153 139 C ATOM 403 CD1 ILE A 51 -18.781 -29.349 4.881 1.00 13.18 C ANISOU 403 CD1 ILE A 51 1309 1875 1824 -41 83 270 C ATOM 404 N SER A 52 -21.106 -26.008 7.224 1.00 13.29 N ANISOU 404 N SER A 52 1986 1705 1358 -351 25 -124 N ATOM 405 CA SER A 52 -21.017 -25.344 8.516 1.00 13.08 C ANISOU 405 CA SER A 52 2193 1654 1122 -556 11 -151 C ATOM 406 C SER A 52 -20.568 -26.313 9.599 1.00 14.70 C ANISOU 406 C SER A 52 2358 1994 1234 -639 -88 -20 C ATOM 407 O SER A 52 -20.360 -27.505 9.359 1.00 13.92 O ANISOU 407 O SER A 52 2045 1975 1271 -496 -107 102 O ATOM 408 CB SER A 52 -22.310 -24.599 8.863 1.00 17.60 C ANISOU 408 CB SER A 52 3000 2016 1672 -518 221 -298 C ATOM 409 OG SER A 52 -23.245 -25.449 9.518 1.00 17.02 O ANISOU 409 OG SER A 52 2940 1897 1631 -419 313 -314 O ATOM 410 N SER A 53 -20.397 -25.775 10.812 1.00 16.13 N ANISOU 410 N SER A 53 3010 1701 1419 -625 -286 470 N ATOM 411 CA SER A 53 -20.031 -26.599 11.956 1.00 17.67 C ANISOU 411 CA SER A 53 3520 1682 1512 -805 -385 573 C ATOM 412 C SER A 53 -21.137 -27.568 12.356 1.00 19.69 C ANISOU 412 C SER A 53 3870 2006 1604 -1106 -269 561 C ATOM 413 O SER A 53 -20.876 -28.492 13.133 1.00 22.13 O ANISOU 413 O SER A 53 4343 2178 1888 -1209 -370 581 O ATOM 414 CB SER A 53 -19.656 -25.740 13.177 1.00 20.28 C ANISOU 414 CB SER A 53 3921 2004 1778 -749 -412 570 C ATOM 415 OG SER A 53 -20.591 -24.698 13.405 1.00 19.81 O ANISOU 415 OG SER A 53 3784 2184 1559 -776 -237 522 O ATOM 416 N THR A 54 -22.356 -27.381 11.844 1.00 19.88 N ANISOU 416 N THR A 54 3676 2289 1590 -1173 -73 452 N ATOM 417 CA THR A 54 -23.469 -28.260 12.166 1.00 22.00 C ANISOU 417 CA THR A 54 3989 2635 1733 -1472 55 441 C ATOM 418 C THR A 54 -24.164 -28.860 10.954 1.00 22.40 C ANISOU 418 C THR A 54 3837 2767 1908 -1492 87 353 C ATOM 419 O THR A 54 -24.927 -29.816 11.122 1.00 26.23 O ANISOU 419 O THR A 54 4376 3251 2338 -1747 140 366 O ATOM 420 CB THR A 54 -24.527 -27.511 12.990 1.00 23.79 C ANISOU 420 CB THR A 54 4136 3115 1787 -1596 296 364 C ATOM 421 OG1 THR A 54 -25.048 -26.425 12.218 1.00 26.94 O ANISOU 421 OG1 THR A 54 4195 3738 2302 -1397 392 216 O ATOM 422 CG2 THR A 54 -23.928 -26.971 14.292 1.00 29.05 C ANISOU 422 CG2 THR A 54 5000 3701 2338 -1554 246 403 C ATOM 423 N MET A 55 -23.942 -28.346 9.754 1.00 20.15 N ANISOU 423 N MET A 55 3334 2546 1776 -1249 48 272 N ATOM 424 C MET A 55 -23.683 -29.320 7.529 1.00 19.19 C ANISOU 424 C MET A 55 3064 2350 1878 -1088 -101 174 C ATOM 425 O MET A 55 -22.618 -28.730 7.316 1.00 19.21 O ANISOU 425 O MET A 55 3071 2283 1947 -869 -174 205 O ATOM 426 CA AMET A 55 -24.658 -28.807 8.576 0.78 20.23 C ANISOU 426 CA AMET A 55 3161 2648 1877 -1259 65 174 C ATOM 427 CB AMET A 55 -25.487 -27.671 7.989 0.78 19.54 C ANISOU 427 CB AMET A 55 2770 2826 1829 -1143 180 52 C ATOM 428 CG AMET A 55 -26.552 -27.158 8.942 0.78 26.24 C ANISOU 428 CG AMET A 55 3529 3860 2582 -1299 372 0 C ATOM 429 SD AMET A 55 -27.339 -25.684 8.278 0.78 28.52 S ANISOU 429 SD AMET A 55 3449 4408 2980 -1107 444 -154 S ATOM 430 CE AMET A 55 -28.551 -26.469 7.193 0.78 21.41 C ANISOU 430 CE AMET A 55 2352 3597 2187 -1235 449 -257 C ATOM 431 CA BMET A 55 -24.659 -28.801 8.572 0.22 21.77 C ANISOU 431 CA BMET A 55 3354 2843 2072 -1258 66 173 C ATOM 432 CB BMET A 55 -25.489 -27.668 7.966 0.22 23.75 C ANISOU 432 CB BMET A 55 3299 3360 2364 -1140 179 51 C ATOM 433 CG BMET A 55 -26.096 -26.733 8.994 0.22 26.79 C ANISOU 433 CG BMET A 55 3615 3907 2656 -1194 338 18 C ATOM 434 SD BMET A 55 -27.656 -26.028 8.442 0.22 28.52 S ANISOU 434 SD BMET A 55 3461 4418 2959 -1207 484 -161 S ATOM 435 CE BMET A 55 -28.654 -27.501 8.252 0.22 28.09 C ANISOU 435 CE BMET A 55 3413 4352 2910 -1509 532 -178 C ATOM 436 N SER A 56 -24.062 -30.413 6.873 1.00 20.21 N ANISOU 436 N SER A 56 3206 2419 2055 -1190 -154 127 N ATOM 437 CA SER A 56 -23.259 -30.987 5.804 1.00 19.72 C ANISOU 437 CA SER A 56 3166 2217 2108 -1035 -288 82 C ATOM 438 C SER A 56 -23.236 -30.057 4.596 1.00 19.29 C ANISOU 438 C SER A 56 2896 2345 2088 -805 -248 -9 C ATOM 439 O SER A 56 -24.067 -29.157 4.451 1.00 17.94 O ANISOU 439 O SER A 56 2543 2394 1879 -793 -151 -49 O ATOM 440 CB SER A 56 -23.822 -32.347 5.388 1.00 22.61 C ANISOU 440 CB SER A 56 3594 2485 2512 -1207 -362 29 C ATOM 441 OG SER A 56 -23.959 -33.191 6.519 1.00 35.94 O ANISOU 441 OG SER A 56 5487 4010 4157 -1460 -405 138 O ATOM 442 N GLY A 57 -22.271 -30.295 3.713 1.00 19.68 N ANISOU 442 N GLY A 57 2967 2294 2215 -627 -328 -45 N ATOM 443 CA GLY A 57 -22.066 -29.395 2.596 1.00 20.03 C ANISOU 443 CA GLY A 57 2850 2498 2263 -420 -290 -100 C ATOM 444 C GLY A 57 -23.187 -29.445 1.574 1.00 17.33 C ANISOU 444 C GLY A 57 2379 2332 1873 -461 -273 -212 C ATOM 445 O GLY A 57 -23.795 -30.489 1.317 1.00 19.92 O ANISOU 445 O GLY A 57 2756 2608 2206 -598 -322 -284 O ATOM 446 N ILE A 58 -23.452 -28.275 0.979 1.00 16.48 N ANISOU 446 N ILE A 58 2109 2418 1734 -342 -234 -220 N ATOM 447 CA ILE A 58 -24.409 -28.099 -0.107 1.00 17.10 C ANISOU 447 CA ILE A 58 2064 2660 1775 -346 -259 -316 C ATOM 448 C ILE A 58 -23.741 -27.312 -1.229 1.00 16.42 C ANISOU 448 C ILE A 58 1934 2659 1645 -144 -272 -311 C ATOM 449 O ILE A 58 -22.808 -26.536 -1.011 1.00 15.27 O ANISOU 449 O ILE A 58 1780 2500 1520 -13 -237 -219 O ATOM 450 CB ILE A 58 -25.678 -27.349 0.354 1.00 22.82 C ANISOU 450 CB ILE A 58 2610 3545 2516 -440 -220 -328 C ATOM 451 CG1 ILE A 58 -25.315 -25.910 0.708 1.00 24.04 C ANISOU 451 CG1 ILE A 58 2664 3786 2683 -299 -184 -252 C ATOM 452 CG2 ILE A 58 -26.313 -28.052 1.542 1.00 28.46 C ANISOU 452 CG2 ILE A 58 3364 4200 3248 -663 -159 -320 C ATOM 453 CD1 ILE A 58 -26.428 -24.950 0.611 1.00 32.63 C ANISOU 453 CD1 ILE A 58 3537 5047 3814 -304 -189 -302 C ATOM 454 N ILE A 59 -24.249 -27.506 -2.443 1.00 17.38 N ANISOU 454 N ILE A 59 2035 2868 1700 -134 -331 -405 N ATOM 455 CA ILE A 59 -23.802 -26.772 -3.621 1.00 17.27 C ANISOU 455 CA ILE A 59 2002 2964 1596 17 -345 -396 C ATOM 456 C ILE A 59 -24.899 -25.783 -3.991 1.00 17.45 C ANISOU 456 C ILE A 59 1871 3153 1607 1 -420 -391 C ATOM 457 O ILE A 59 -26.050 -26.180 -4.212 1.00 18.60 O ANISOU 457 O ILE A 59 1964 3335 1767 -113 -498 -482 O ATOM 458 CB ILE A 59 -23.511 -27.724 -4.793 1.00 18.67 C ANISOU 458 CB ILE A 59 2308 3111 1674 44 -375 -518 C ATOM 459 CG1 ILE A 59 -22.478 -28.778 -4.391 1.00 18.82 C ANISOU 459 CG1 ILE A 59 2456 2935 1761 65 -328 -555 C ATOM 460 CG2 ILE A 59 -23.037 -26.942 -6.008 1.00 18.94 C ANISOU 460 CG2 ILE A 59 2348 3280 1569 174 -363 -497 C ATOM 461 CD1 ILE A 59 -21.181 -28.211 -3.858 1.00 17.58 C ANISOU 461 CD1 ILE A 59 2290 2714 1677 190 -239 -442 C ATOM 462 N PHE A 60 -24.547 -24.497 -4.064 1.00 16.54 N ANISOU 462 N PHE A 60 1672 3119 1493 114 -419 -285 N ATOM 463 CA PHE A 60 -25.512 -23.472 -4.459 1.00 16.90 C ANISOU 463 CA PHE A 60 1569 3297 1558 118 -530 -277 C ATOM 464 C PHE A 60 -25.629 -23.361 -5.971 1.00 18.15 C ANISOU 464 C PHE A 60 1788 3538 1569 156 -639 -299 C ATOM 465 O PHE A 60 -26.727 -23.147 -6.495 1.00 19.28 O ANISOU 465 O PHE A 60 1855 3749 1723 104 -786 -356 O ATOM 466 CB PHE A 60 -25.084 -22.094 -3.944 1.00 15.67 C ANISOU 466 CB PHE A 60 1307 3171 1476 224 -524 -150 C ATOM 467 CG PHE A 60 -25.020 -21.974 -2.454 1.00 14.67 C ANISOU 467 CG PHE A 60 1129 2979 1467 197 -435 -131 C ATOM 468 CD1 PHE A 60 -26.172 -21.841 -1.691 1.00 17.24 C ANISOU 468 CD1 PHE A 60 1315 3347 1888 103 -435 -210 C ATOM 469 CD2 PHE A 60 -23.791 -21.950 -1.819 1.00 13.54 C ANISOU 469 CD2 PHE A 60 1074 2731 1338 267 -353 -38 C ATOM 470 CE1 PHE A 60 -26.082 -21.712 -0.308 1.00 14.55 C ANISOU 470 CE1 PHE A 60 959 2962 1609 69 -335 -197 C ATOM 471 CE2 PHE A 60 -23.694 -21.822 -0.456 1.00 12.85 C ANISOU 471 CE2 PHE A 60 980 2575 1328 239 -296 -15 C ATOM 472 CZ PHE A 60 -24.841 -21.703 0.303 1.00 13.56 C ANISOU 472 CZ PHE A 60 963 2725 1465 136 -278 -95 C ATOM 473 N ALA A 61 -24.509 -23.478 -6.683 1.00 18.22 N ANISOU 473 N ALA A 61 1936 3544 1444 241 -573 -257 N ATOM 474 CA ALA A 61 -24.455 -23.109 -8.092 1.00 19.56 C ANISOU 474 CA ALA A 61 2187 3817 1427 279 -652 -241 C ATOM 475 C ALA A 61 -24.980 -24.237 -8.954 1.00 25.77 C ANISOU 475 C ALA A 61 3104 4603 2085 209 -717 -403 C ATOM 476 O ALA A 61 -24.614 -25.398 -8.765 1.00 33.38 O ANISOU 476 O ALA A 61 4160 5473 3052 189 -631 -509 O ATOM 477 CB ALA A 61 -23.005 -22.839 -8.487 1.00 28.81 C ANISOU 477 CB ALA A 61 3447 5001 2500 383 -508 -145 C ATOM 478 N GLU A 62 -25.817 -23.886 -9.930 1.00 30.81 N ANISOU 478 N GLU A 62 3764 5311 2631 174 -892 -419 N ATOM 479 CA GLU A 62 -26.274 -24.891 -10.875 1.00 30.01 C ANISOU 479 CA GLU A 62 3815 5194 2394 114 -977 -569 C ATOM 480 C GLU A 62 -25.084 -25.447 -11.638 1.00 36.23 C ANISOU 480 C GLU A 62 4804 6009 2954 186 -832 -619 C ATOM 481 O GLU A 62 -24.244 -24.699 -12.144 1.00 35.03 O ANISOU 481 O GLU A 62 4702 5919 2687 252 -736 -499 O ATOM 482 CB GLU A 62 -27.303 -24.323 -11.842 1.00 39.64 C ANISOU 482 CB GLU A 62 5060 6404 3598 55 -1184 -533 C ATOM 483 CG GLU A 62 -27.974 -25.413 -12.668 1.00 38.64 C ANISOU 483 CG GLU A 62 5073 6235 3375 -26 -1311 -692 C ATOM 484 CD GLU A 62 -27.407 -25.530 -14.077 1.00 49.34 C ANISOU 484 CD GLU A 62 6685 7630 4433 -8 -1304 -700 C ATOM 485 OE1 GLU A 62 -28.041 -26.201 -14.920 1.00 55.78 O ANISOU 485 OE1 GLU A 62 7627 8412 5153 -85 -1441 -805 O ATOM 486 OE2 GLU A 62 -26.333 -24.948 -14.345 1.00 53.52 O ANISOU 486 OE2 GLU A 62 7282 8226 4825 67 -1154 -601 O ATOM 487 N SER A 63 -25.002 -26.768 -11.690 1.00 36.37 N ANISOU 487 N SER A 63 4923 5951 2947 165 -803 -798 N ATOM 488 CA SER A 63 -23.821 -27.432 -12.215 1.00 47.68 C ANISOU 488 CA SER A 63 6512 7370 4236 247 -630 -888 C ATOM 489 C SER A 63 -24.222 -28.750 -12.864 1.00 56.40 C ANISOU 489 C SER A 63 7768 8392 5268 200 -712 -1106 C ATOM 490 O SER A 63 -24.588 -28.784 -14.044 1.00 57.54 O ANISOU 490 O SER A 63 8052 8567 5243 163 -790 -1139 O ATOM 491 CB SER A 63 -22.793 -27.630 -11.086 1.00 46.35 C ANISOU 491 CB SER A 63 6258 7085 4269 307 -443 -838 C ATOM 492 OG SER A 63 -23.414 -27.874 -9.821 1.00 35.48 O ANISOU 492 OG SER A 63 4757 5590 3133 226 -502 -810 O ATOM 493 N LYS A 64 -24.158 -29.826 -12.078 1.00 56.03 N ANISOU 493 N LYS A 64 7703 8189 5396 177 -697 -1218 N ATOM 494 CA LYS A 64 -24.604 -31.172 -12.414 1.00 52.04 C ANISOU 494 CA LYS A 64 7315 7564 4893 123 -814 -1431 C ATOM 495 C LYS A 64 -24.133 -32.046 -11.265 1.00 53.44 C ANISOU 495 C LYS A 64 7445 7540 5319 108 -744 -1454 C ATOM 496 O LYS A 64 -23.062 -31.788 -10.704 1.00 50.27 O ANISOU 496 O LYS A 64 7000 7107 4992 195 -574 -1375 O ATOM 497 CB LYS A 64 -24.018 -31.653 -13.744 1.00 56.88 C ANISOU 497 CB LYS A 64 8124 8191 5295 185 -742 -1555 C ATOM 498 CG LYS A 64 -24.166 -33.144 -13.994 1.00 60.29 C ANISOU 498 CG LYS A 64 8670 8453 5784 153 -820 -1769 C ATOM 499 CD LYS A 64 -24.029 -33.463 -15.477 1.00 64.38 C ANISOU 499 CD LYS A 64 9376 9023 6061 169 -800 -1885 C ATOM 500 CE LYS A 64 -23.267 -34.759 -15.706 1.00 67.27 C ANISOU 500 CE LYS A 64 9842 9248 6470 239 -722 -2108 C ATOM 501 NZ LYS A 64 -22.015 -34.826 -14.903 1.00 65.23 N ANISOU 501 NZ LYS A 64 9500 8927 6357 362 -530 -2119 N ATOM 502 N ALA A 65 -24.927 -33.049 -10.882 1.00 56.99 N ANISOU 502 N ALA A 65 7901 7842 5910 -14 -892 -1544 N ATOM 503 CA ALA A 65 -24.585 -33.903 -9.751 1.00 58.75 C ANISOU 503 CA ALA A 65 8105 7854 6365 -66 -868 -1538 C ATOM 504 C ALA A 65 -23.170 -34.459 -9.877 1.00 61.06 C ANISOU 504 C ALA A 65 8492 8040 6668 82 -743 -1637 C ATOM 505 O ALA A 65 -22.916 -35.352 -10.692 1.00 69.25 O ANISOU 505 O ALA A 65 9662 9010 7639 139 -788 -1852 O ATOM 506 CB ALA A 65 -25.596 -35.043 -9.613 1.00 60.87 C ANISOU 506 CB ALA A 65 8405 7971 6751 -227 -1064 -1643 C ATOM 507 N GLY A 66 -22.242 -33.923 -9.090 1.00 54.60 N ANISOU 507 N GLY A 66 7597 7199 5949 152 -595 -1500 N ATOM 508 CA GLY A 66 -20.860 -34.371 -9.095 1.00 49.85 C ANISOU 508 CA GLY A 66 7038 6478 5423 296 -480 -1585 C ATOM 509 C GLY A 66 -19.854 -33.343 -9.569 1.00 38.82 C ANISOU 509 C GLY A 66 5588 5245 3917 447 -276 -1521 C ATOM 510 O GLY A 66 -18.645 -33.577 -9.427 1.00 37.61 O ANISOU 510 O GLY A 66 5418 4993 3880 568 -160 -1570 O ATOM 511 N GLN A 67 -20.288 -32.214 -10.132 1.00 29.81 N ANISOU 511 N GLN A 67 4411 4337 2580 440 -239 -1411 N ATOM 512 CA GLN A 67 -19.331 -31.206 -10.574 1.00 27.74 C ANISOU 512 CA GLN A 67 4100 4224 2216 558 -50 -1319 C ATOM 513 C GLN A 67 -18.572 -30.612 -9.391 1.00 25.58 C ANISOU 513 C GLN A 67 3688 3862 2167 596 27 -1134 C ATOM 514 O GLN A 67 -17.351 -30.431 -9.456 1.00 25.79 O ANISOU 514 O GLN A 67 3670 3870 2259 714 185 -1130 O ATOM 515 CB GLN A 67 -20.047 -30.113 -11.364 1.00 37.14 C ANISOU 515 CB GLN A 67 5297 5652 3164 518 -84 -1212 C ATOM 516 CG GLN A 67 -19.107 -29.123 -12.014 1.00 41.51 C ANISOU 516 CG GLN A 67 5832 6370 3570 611 103 -1113 C ATOM 517 CD GLN A 67 -18.960 -29.354 -13.499 1.00 43.04 C ANISOU 517 CD GLN A 67 6190 6701 3462 633 173 -1259 C ATOM 518 OE1 GLN A 67 -19.340 -30.404 -14.016 1.00 42.70 O ANISOU 518 OE1 GLN A 67 6271 6579 3375 601 99 -1453 O ATOM 519 NE2 GLN A 67 -18.399 -28.375 -14.196 1.00 49.89 N ANISOU 519 NE2 GLN A 67 7058 7711 4189 640 312 -1114 N ATOM 520 N PHE A 68 -19.273 -30.309 -8.301 1.00 16.22 N ANISOU 520 N PHE A 68 2711 1964 1488 115 -506 -49 N ATOM 521 CA PHE A 68 -18.650 -29.763 -7.105 1.00 13.92 C ANISOU 521 CA PHE A 68 2353 1613 1322 160 -406 -17 C ATOM 522 C PHE A 68 -19.080 -30.574 -5.891 1.00 13.13 C ANISOU 522 C PHE A 68 2086 1553 1352 149 -336 -101 C ATOM 523 O PHE A 68 -20.230 -31.014 -5.802 1.00 17.20 O ANISOU 523 O PHE A 68 2483 2155 1899 126 -409 -172 O ATOM 524 CB PHE A 68 -19.065 -28.301 -6.897 1.00 16.69 C ANISOU 524 CB PHE A 68 2718 1892 1730 271 -558 45 C ATOM 525 CG PHE A 68 -18.701 -27.400 -8.033 1.00 17.82 C ANISOU 525 CG PHE A 68 3094 1953 1723 233 -679 181 C ATOM 526 CD1 PHE A 68 -17.385 -27.041 -8.251 1.00 21.73 C ANISOU 526 CD1 PHE A 68 3727 2416 2115 103 -551 281 C ATOM 527 CD2 PHE A 68 -19.676 -26.917 -8.890 1.00 25.96 C ANISOU 527 CD2 PHE A 68 4207 2957 2699 298 -937 214 C ATOM 528 CE1 PHE A 68 -17.053 -26.207 -9.309 1.00 25.62 C ANISOU 528 CE1 PHE A 68 4465 2853 2416 -15 -655 436 C ATOM 529 CE2 PHE A 68 -19.346 -26.090 -9.941 1.00 30.01 C ANISOU 529 CE2 PHE A 68 4966 3381 3058 211 -1051 365 C ATOM 530 CZ PHE A 68 -18.028 -25.735 -10.146 1.00 28.12 C ANISOU 530 CZ PHE A 68 4860 3120 2703 29 -883 472 C ATOM 531 N THR A 69 -18.154 -30.752 -4.949 1.00 13.65 N ANISOU 531 N THR A 69 2140 1571 1474 134 -206 -86 N ATOM 532 CA THR A 69 -18.418 -31.401 -3.672 1.00 12.51 C ANISOU 532 CA THR A 69 1894 1450 1408 83 -152 -121 C ATOM 533 C THR A 69 -17.638 -30.639 -2.617 1.00 11.09 C ANISOU 533 C THR A 69 1698 1233 1285 129 -87 -84 C ATOM 534 O THR A 69 -16.426 -30.456 -2.750 1.00 15.91 O ANISOU 534 O THR A 69 2381 1776 1889 144 -35 -40 O ATOM 535 CB THR A 69 -17.937 -32.861 -3.688 1.00 15.91 C ANISOU 535 CB THR A 69 2407 1811 1828 -4 -115 -141 C ATOM 536 OG1 THR A 69 -18.545 -33.555 -4.784 1.00 21.44 O ANISOU 536 OG1 THR A 69 3157 2523 2465 -53 -185 -196 O ATOM 537 CG2 THR A 69 -18.301 -33.568 -2.389 1.00 22.19 C ANISOU 537 CG2 THR A 69 3164 2607 2662 -122 -101 -128 C ATOM 538 N ILE A 70 -18.312 -30.208 -1.566 1.00 11.43 N ANISOU 538 N ILE A 70 1622 1351 1369 139 -85 -128 N ATOM 539 CA ILE A 70 -17.650 -29.520 -0.469 1.00 10.41 C ANISOU 539 CA ILE A 70 1488 1195 1274 170 -37 -119 C ATOM 540 C ILE A 70 -17.599 -30.456 0.729 1.00 13.44 C ANISOU 540 C ILE A 70 1850 1630 1629 41 31 -114 C ATOM 541 O ILE A 70 -18.558 -31.190 1.007 1.00 15.85 O ANISOU 541 O ILE A 70 2086 2048 1890 -79 43 -147 O ATOM 542 CB ILE A 70 -18.312 -28.160 -0.154 1.00 11.42 C ANISOU 542 CB ILE A 70 1536 1353 1450 301 -102 -203 C ATOM 543 CG1 ILE A 70 -17.554 -27.387 0.923 1.00 10.94 C ANISOU 543 CG1 ILE A 70 1503 1239 1414 327 -69 -213 C ATOM 544 CG2 ILE A 70 -19.773 -28.323 0.226 1.00 15.64 C ANISOU 544 CG2 ILE A 70 1869 2086 1989 310 -111 -345 C ATOM 545 CD1 ILE A 70 -18.050 -25.945 1.086 1.00 13.27 C ANISOU 545 CD1 ILE A 70 1779 1483 1779 496 -179 -321 C ATOM 546 N SER A 71 -16.458 -30.458 1.406 1.00 11.90 N ANISOU 546 N SER A 71 1726 1354 1443 36 54 -59 N ATOM 547 CA SER A 71 -16.253 -31.292 2.577 1.00 10.19 C ANISOU 547 CA SER A 71 1550 1145 1176 -89 65 -17 C ATOM 548 C SER A 71 -15.306 -30.559 3.512 1.00 10.98 C ANISOU 548 C SER A 71 1667 1220 1285 -48 67 -5 C ATOM 549 O SER A 71 -14.760 -29.502 3.183 1.00 11.43 O ANISOU 549 O SER A 71 1709 1235 1400 54 64 -26 O ATOM 550 CB SER A 71 -15.682 -32.661 2.188 1.00 13.00 C ANISOU 550 CB SER A 71 2032 1359 1547 -132 5 48 C ATOM 551 OG SER A 71 -14.389 -32.511 1.632 1.00 14.11 O ANISOU 551 OG SER A 71 2197 1401 1763 1 -10 47 O ATOM 552 N GLN A 72 -15.101 -31.131 4.689 1.00 12.98 N ANISOU 552 N GLN A 72 1980 1488 1462 -164 50 44 N ATOM 553 CA GLN A 72 -14.174 -30.506 5.610 1.00 12.71 C ANISOU 553 CA GLN A 72 1970 1438 1422 -138 23 51 C ATOM 554 C GLN A 72 -13.493 -31.566 6.451 1.00 11.08 C ANISOU 554 C GLN A 72 1896 1152 1161 -232 -81 161 C ATOM 555 O GLN A 72 -14.020 -32.662 6.667 1.00 13.60 O ANISOU 555 O GLN A 72 2317 1448 1402 -373 -122 235 O ATOM 556 CB GLN A 72 -14.867 -29.490 6.528 1.00 12.71 C ANISOU 556 CB GLN A 72 1897 1595 1335 -161 90 -61 C ATOM 557 CG GLN A 72 -15.871 -30.084 7.506 1.00 12.99 C ANISOU 557 CG GLN A 72 1921 1826 1189 -356 154 -81 C ATOM 558 CD GLN A 72 -16.665 -29.014 8.229 1.00 15.71 C ANISOU 558 CD GLN A 72 2129 2387 1455 -330 251 -280 C ATOM 559 OE1 GLN A 72 -16.141 -27.938 8.519 1.00 20.67 O ANISOU 559 OE1 GLN A 72 2761 2961 2132 -199 223 -367 O ATOM 560 NE2 GLN A 72 -17.934 -29.298 8.520 1.00 17.23 N ANISOU 560 NE2 GLN A 72 2185 2836 1526 -456 362 -381 N ATOM 561 N ASP A 73 -12.316 -31.200 6.941 1.00 12.48 N ANISOU 561 N ASP A 73 2087 1274 1381 -167 -156 177 N ATOM 562 CA ASP A 73 -11.577 -31.978 7.918 1.00 13.15 C ANISOU 562 CA ASP A 73 2302 1281 1416 -223 -315 275 C ATOM 563 C ASP A 73 -11.578 -31.142 9.190 1.00 14.29 C ANISOU 563 C ASP A 73 2458 1551 1418 -316 -302 250 C ATOM 564 O ASP A 73 -10.898 -30.108 9.260 1.00 15.69 O ANISOU 564 O ASP A 73 2553 1746 1663 -232 -298 176 O ATOM 565 CB ASP A 73 -10.156 -32.244 7.429 1.00 13.76 C ANISOU 565 CB ASP A 73 2332 1230 1665 -49 -438 269 C ATOM 566 CG ASP A 73 -9.394 -33.171 8.358 1.00 17.99 C ANISOU 566 CG ASP A 73 3009 1641 2184 -50 -679 364 C ATOM 567 OD1 ASP A 73 -9.274 -32.845 9.557 1.00 18.00 O ANISOU 567 OD1 ASP A 73 3086 1700 2053 -158 -748 417 O ATOM 568 OD2 ASP A 73 -8.942 -34.245 7.897 1.00 22.88 O ANISOU 568 OD2 ASP A 73 3664 2115 2913 62 -808 361 O ATOM 569 N ASN A 74 -12.358 -31.577 10.183 1.00 14.97 N ANISOU 569 N ASN A 74 2658 1744 1287 -523 -291 302 N ATOM 570 CA ASN A 74 -12.531 -30.764 11.382 1.00 17.82 C ANISOU 570 CA ASN A 74 3025 2284 1464 -625 -241 228 C ATOM 571 C ASN A 74 -11.234 -30.640 12.174 1.00 20.11 C ANISOU 571 C ASN A 74 3404 2489 1746 -598 -430 286 C ATOM 572 O ASN A 74 -10.930 -29.565 12.702 1.00 22.93 O ANISOU 572 O ASN A 74 3709 2928 2074 -570 -408 169 O ATOM 573 CB ASN A 74 -13.681 -31.303 12.234 1.00 19.15 C ANISOU 573 CB ASN A 74 3271 2657 1346 -907 -151 256 C ATOM 574 CG ASN A 74 -15.032 -31.116 11.564 1.00 30.65 C ANISOU 574 CG ASN A 74 4547 4286 2814 -924 53 125 C ATOM 575 OD1 ASN A 74 -15.457 -31.938 10.759 1.00 36.02 O ANISOU 575 OD1 ASN A 74 5234 4887 3565 -961 46 202 O ATOM 576 ND2 ASN A 74 -15.712 -30.028 11.895 1.00 47.71 N ANISOU 576 ND2 ASN A 74 6536 6678 4914 -877 209 -102 N ATOM 577 N ALA A 75 -10.455 -31.722 12.272 1.00 16.76 N ANISOU 577 N ALA A 75 3118 1889 1362 -590 -651 446 N ATOM 578 CA ALA A 75 -9.210 -31.667 13.030 1.00 18.13 C ANISOU 578 CA ALA A 75 3349 1995 1543 -543 -880 493 C ATOM 579 C ALA A 75 -8.194 -30.718 12.398 1.00 18.81 C ANISOU 579 C ALA A 75 3212 2066 1867 -342 -870 364 C ATOM 580 O ALA A 75 -7.415 -30.074 13.115 1.00 21.41 O ANISOU 580 O ALA A 75 3521 2441 2174 -349 -974 325 O ATOM 581 CB ALA A 75 -8.625 -33.072 13.209 1.00 20.78 C ANISOU 581 CB ALA A 75 3791 2127 1980 -508 -1092 602 C ATOM 582 N LYS A 76 -8.194 -30.607 11.074 1.00 18.00 N ANISOU 582 N LYS A 76 2954 1920 1966 -205 -750 301 N ATOM 583 CA LYS A 76 -7.291 -29.711 10.366 1.00 17.01 C ANISOU 583 CA LYS A 76 2627 1810 2026 -93 -711 199 C ATOM 584 C LYS A 76 -7.896 -28.335 10.117 1.00 17.75 C ANISOU 584 C LYS A 76 2672 1974 2098 -139 -529 96 C ATOM 585 O LYS A 76 -7.230 -27.485 9.515 1.00 17.34 O ANISOU 585 O LYS A 76 2504 1916 2169 -114 -500 40 O ATOM 586 CB LYS A 76 -6.882 -30.330 9.025 1.00 21.87 C ANISOU 586 CB LYS A 76 3118 2364 2829 54 -683 179 C ATOM 587 CG LYS A 76 -6.019 -31.587 9.142 1.00 26.70 C ANISOU 587 CG LYS A 76 3738 2869 3537 188 -914 212 C ATOM 588 CD LYS A 76 -5.753 -32.185 7.759 1.00 30.60 C ANISOU 588 CD LYS A 76 4100 3332 4196 351 -851 125 C ATOM 589 CE LYS A 76 -4.890 -33.434 7.850 1.00 37.46 C ANISOU 589 CE LYS A 76 4967 4070 5198 551 -1112 95 C ATOM 590 NZ LYS A 76 -4.582 -33.985 6.501 1.00 42.19 N ANISOU 590 NZ LYS A 76 5411 4689 5931 711 -1009 -60 N ATOM 591 N ASN A 77 -9.129 -28.097 10.563 1.00 17.37 N ANISOU 591 N ASN A 77 2708 1994 1896 -213 -424 59 N ATOM 592 CA ASN A 77 -9.818 -26.819 10.357 1.00 15.39 C ANISOU 592 CA ASN A 77 2422 1777 1650 -194 -301 -79 C ATOM 593 C ASN A 77 -9.788 -26.392 8.889 1.00 16.05 C ANISOU 593 C ASN A 77 2422 1770 1905 -103 -236 -81 C ATOM 594 O ASN A 77 -9.583 -25.219 8.563 1.00 15.38 O ANISOU 594 O ASN A 77 2334 1620 1890 -90 -238 -143 O ATOM 595 CB ASN A 77 -9.268 -25.723 11.268 1.00 15.93 C ANISOU 595 CB ASN A 77 2522 1855 1675 -235 -372 -179 C ATOM 596 CG ASN A 77 -9.510 -26.011 12.731 1.00 21.54 C ANISOU 596 CG ASN A 77 3339 2697 2147 -348 -415 -203 C ATOM 597 OD1 ASN A 77 -10.592 -26.441 13.115 1.00 24.50 O ANISOU 597 OD1 ASN A 77 3749 3205 2355 -411 -311 -229 O ATOM 598 ND2 ASN A 77 -8.504 -25.768 13.556 1.00 27.95 N ANISOU 598 ND2 ASN A 77 4197 3503 2918 -406 -569 -198 N ATOM 599 N THR A 78 -9.995 -27.352 7.995 1.00 13.31 N ANISOU 599 N THR A 78 2045 1406 1605 -64 -198 -8 N ATOM 600 CA THR A 78 -9.837 -27.116 6.568 1.00 13.54 C ANISOU 600 CA THR A 78 2014 1382 1749 -8 -141 3 C ATOM 601 C THR A 78 -11.092 -27.527 5.812 1.00 14.82 C ANISOU 601 C THR A 78 2187 1557 1887 30 -63 -1 C ATOM 602 O THR A 78 -11.681 -28.574 6.086 1.00 16.43 O ANISOU 602 O THR A 78 2416 1797 2029 0 -59 27 O ATOM 603 CB THR A 78 -8.594 -27.861 6.046 1.00 13.24 C ANISOU 603 CB THR A 78 1889 1340 1800 20 -181 46 C ATOM 604 OG1 THR A 78 -7.428 -27.331 6.697 1.00 17.28 O ANISOU 604 OG1 THR A 78 2341 1876 2350 -24 -265 29 O ATOM 605 CG2 THR A 78 -8.444 -27.683 4.543 1.00 15.11 C ANISOU 605 CG2 THR A 78 2064 1584 2092 36 -87 42 C ATOM 606 N VAL A 79 -11.509 -26.691 4.867 1.00 11.37 N ANISOU 606 N VAL A 79 1750 1080 1492 70 -32 -26 N ATOM 607 C VAL A 79 -12.144 -27.179 2.587 1.00 12.58 C ANISOU 607 C VAL A 79 1902 1211 1666 118 25 25 C ATOM 608 O VAL A 79 -11.205 -26.507 2.154 1.00 15.28 O ANISOU 608 O VAL A 79 2256 1518 2031 72 23 59 O ATOM 609 CA AVAL A 79 -12.654 -26.968 4.010 0.58 10.65 C ANISOU 609 CA AVAL A 79 1651 1007 1390 117 6 -39 C ATOM 610 CB AVAL A 79 -13.668 -25.813 4.100 0.58 10.88 C ANISOU 610 CB AVAL A 79 1685 1021 1426 196 -25 -141 C ATOM 611 CG1AVAL A 79 -14.850 -26.043 3.193 0.58 9.47 C ANISOU 611 CG1AVAL A 79 1466 880 1251 262 -27 -168 C ATOM 612 CG2AVAL A 79 -14.143 -25.670 5.538 0.58 15.05 C ANISOU 612 CG2AVAL A 79 2175 1659 1886 189 -5 -260 C ATOM 613 CA BVAL A 79 -12.652 -26.980 4.009 0.42 10.76 C ANISOU 613 CA BVAL A 79 1665 1021 1403 117 6 -38 C ATOM 614 CB BVAL A 79 -13.744 -25.893 4.068 0.42 10.82 C ANISOU 614 CB BVAL A 79 1673 1022 1416 197 -21 -142 C ATOM 615 CG1BVAL A 79 -14.408 -25.884 5.447 0.42 14.35 C ANISOU 615 CG1BVAL A 79 2067 1599 1787 189 10 -263 C ATOM 616 CG2BVAL A 79 -13.177 -24.519 3.707 0.42 9.43 C ANISOU 616 CG2BVAL A 79 1590 690 1301 217 -105 -133 C ATOM 617 N TYR A 80 -12.755 -28.117 1.878 1.00 12.01 N ANISOU 617 N TYR A 80 1822 1168 1571 135 50 29 N ATOM 618 CA TYR A 80 -12.295 -28.504 0.552 1.00 12.87 C ANISOU 618 CA TYR A 80 1940 1280 1671 132 83 52 C ATOM 619 C TYR A 80 -13.401 -28.300 -0.467 1.00 11.86 C ANISOU 619 C TYR A 80 1856 1153 1497 152 61 53 C ATOM 620 O TYR A 80 -14.584 -28.501 -0.180 1.00 13.28 O ANISOU 620 O TYR A 80 2009 1360 1675 181 28 13 O ATOM 621 CB TYR A 80 -11.922 -29.984 0.520 1.00 11.85 C ANISOU 621 CB TYR A 80 1791 1154 1557 155 90 26 C ATOM 622 CG TYR A 80 -10.890 -30.356 1.546 1.00 14.06 C ANISOU 622 CG TYR A 80 2034 1414 1893 172 46 25 C ATOM 623 CD1 TYR A 80 -9.547 -30.049 1.355 1.00 16.22 C ANISOU 623 CD1 TYR A 80 2211 1737 2215 186 67 -5 C ATOM 624 CD2 TYR A 80 -11.261 -31.000 2.724 1.00 15.72 C ANISOU 624 CD2 TYR A 80 2302 1582 2090 146 -29 57 C ATOM 625 CE1 TYR A 80 -8.588 -30.382 2.308 1.00 18.08 C ANISOU 625 CE1 TYR A 80 2386 1964 2518 225 -17 -20 C ATOM 626 CE2 TYR A 80 -10.319 -31.333 3.674 1.00 16.97 C ANISOU 626 CE2 TYR A 80 2460 1705 2284 164 -122 76 C ATOM 627 CZ TYR A 80 -8.983 -31.025 3.465 1.00 19.92 C ANISOU 627 CZ TYR A 80 2717 2113 2739 229 -132 29 C ATOM 628 OH TYR A 80 -8.049 -31.363 4.423 1.00 20.41 O ANISOU 628 OH TYR A 80 2754 2148 2851 270 -268 34 O ATOM 629 N LEU A 81 -13.001 -27.928 -1.677 1.00 10.73 N ANISOU 629 N LEU A 81 1769 1011 1297 114 75 93 N ATOM 630 CA LEU A 81 -13.915 -27.893 -2.820 1.00 11.39 C ANISOU 630 CA LEU A 81 1922 1100 1307 124 22 106 C ATOM 631 C LEU A 81 -13.358 -28.848 -3.868 1.00 10.65 C ANISOU 631 C LEU A 81 1834 1086 1125 80 104 75 C ATOM 632 O LEU A 81 -12.371 -28.538 -4.540 1.00 13.61 O ANISOU 632 O LEU A 81 2227 1524 1418 -6 181 96 O ATOM 633 CB LEU A 81 -14.093 -26.484 -3.382 1.00 10.83 C ANISOU 633 CB LEU A 81 1981 940 1194 101 -85 192 C ATOM 634 CG LEU A 81 -15.075 -26.390 -4.553 1.00 13.28 C ANISOU 634 CG LEU A 81 2386 1241 1419 125 -203 221 C ATOM 635 CD1 LEU A 81 -16.487 -26.663 -4.039 1.00 17.72 C ANISOU 635 CD1 LEU A 81 2833 1826 2074 267 -293 120 C ATOM 636 CD2 LEU A 81 -15.004 -25.020 -5.220 1.00 14.34 C ANISOU 636 CD2 LEU A 81 2728 1235 1486 70 -355 352 C ATOM 637 N GLN A 82 -13.975 -30.018 -3.981 1.00 10.76 N ANISOU 637 N GLN A 82 1828 1112 1147 119 94 4 N ATOM 638 CA GLN A 82 -13.606 -30.960 -5.028 1.00 10.44 C ANISOU 638 CA GLN A 82 1814 1127 1024 110 145 -77 C ATOM 639 C GLN A 82 -14.338 -30.589 -6.312 1.00 12.05 C ANISOU 639 C GLN A 82 2122 1377 1080 59 91 -47 C ATOM 640 O GLN A 82 -15.565 -30.457 -6.320 1.00 14.21 O ANISOU 640 O GLN A 82 2411 1620 1368 80 -30 -23 O ATOM 641 CB GLN A 82 -13.967 -32.381 -4.596 1.00 12.15 C ANISOU 641 CB GLN A 82 2024 1276 1315 153 106 -161 C ATOM 642 CG GLN A 82 -13.680 -33.435 -5.663 1.00 11.79 C ANISOU 642 CG GLN A 82 2029 1248 1204 180 125 -297 C ATOM 643 CD GLN A 82 -12.192 -33.630 -5.906 1.00 13.79 C ANISOU 643 CD GLN A 82 2205 1575 1461 251 233 -412 C ATOM 644 OE1 GLN A 82 -11.685 -33.410 -7.021 1.00 17.58 O ANISOU 644 OE1 GLN A 82 2674 2210 1795 217 337 -489 O ATOM 645 NE2 GLN A 82 -11.480 -34.037 -4.864 1.00 12.58 N ANISOU 645 NE2 GLN A 82 1984 1341 1456 339 203 -436 N ATOM 646 N AMET A 83 -13.587 -30.420 -7.393 0.58 12.37 N ANISOU 646 N AMET A 83 2218 1521 960 -19 173 -57 N ATOM 647 CA AMET A 83 -14.148 -30.036 -8.679 0.58 13.82 C ANISOU 647 CA AMET A 83 2549 1758 945 -103 104 -4 C ATOM 648 C AMET A 83 -13.824 -31.121 -9.689 0.58 15.79 C ANISOU 648 C AMET A 83 2814 2136 1050 -123 196 -166 C ATOM 649 O AMET A 83 -12.674 -31.558 -9.793 0.58 17.00 O ANISOU 649 O AMET A 83 2878 2404 1178 -123 361 -293 O ATOM 650 CB AMET A 83 -13.599 -28.682 -9.128 0.58 17.54 C ANISOU 650 CB AMET A 83 3136 2249 1277 -252 105 155 C ATOM 651 CG AMET A 83 -13.818 -27.596 -8.074 0.58 17.56 C ANISOU 651 CG AMET A 83 3143 2085 1445 -207 -5 272 C ATOM 652 SD AMET A 83 -13.889 -25.943 -8.766 0.58 26.05 S ANISOU 652 SD AMET A 83 4488 3039 2372 -360 -179 498 S ATOM 653 CE AMET A 83 -12.197 -25.826 -9.332 0.58 17.99 C ANISOU 653 CE AMET A 83 3433 2225 1177 -634 69 512 C ATOM 654 N BMET A 83 -13.575 -30.416 -7.390 0.42 12.37 N ANISOU 654 N BMET A 83 2218 1522 960 -19 174 -57 N ATOM 655 CA BMET A 83 -14.090 -30.014 -8.693 0.42 13.86 C ANISOU 655 CA BMET A 83 2554 1768 946 -108 111 -3 C ATOM 656 C BMET A 83 -13.815 -31.145 -9.674 0.42 15.50 C ANISOU 656 C BMET A 83 2775 2098 1016 -121 198 -170 C ATOM 657 O BMET A 83 -12.689 -31.646 -9.741 0.42 15.94 O ANISOU 657 O BMET A 83 2737 2262 1058 -111 359 -304 O ATOM 658 CB BMET A 83 -13.393 -28.723 -9.155 0.42 16.06 C ANISOU 658 CB BMET A 83 2938 2085 1078 -267 137 145 C ATOM 659 CG BMET A 83 -13.141 -27.713 -8.008 0.42 14.48 C ANISOU 659 CG BMET A 83 2707 1752 1042 -252 94 248 C ATOM 660 SD BMET A 83 -12.145 -26.246 -8.403 0.42 16.22 S ANISOU 660 SD BMET A 83 3077 1974 1112 -508 113 430 S ATOM 661 CE BMET A 83 -13.202 -25.427 -9.591 0.42 28.48 C ANISOU 661 CE BMET A 83 4877 3416 2530 -555 -132 574 C ATOM 662 N ASN A 84 -14.839 -31.556 -10.425 1.00 12.89 N ANISOU 662 N ASN A 84 2012 1615 1270 -237 40 210 N ATOM 663 CA ASN A 84 -14.690 -32.610 -11.415 1.00 13.14 C ANISOU 663 CA ASN A 84 2188 1532 1275 -250 -62 202 C ATOM 664 C ASN A 84 -15.343 -32.173 -12.712 1.00 14.93 C ANISOU 664 C ASN A 84 2486 1675 1510 -313 -178 198 C ATOM 665 O ASN A 84 -16.221 -31.306 -12.728 1.00 14.10 O ANISOU 665 O ASN A 84 2223 1622 1512 -369 -189 267 O ATOM 666 CB ASN A 84 -15.341 -33.913 -10.953 1.00 13.07 C ANISOU 666 CB ASN A 84 2214 1436 1317 -324 -149 291 C ATOM 667 CG ASN A 84 -14.569 -34.576 -9.835 1.00 16.07 C ANISOU 667 CG ASN A 84 2573 1876 1658 -246 -45 301 C ATOM 668 OD1 ASN A 84 -13.381 -34.859 -9.969 1.00 15.89 O ANISOU 668 OD1 ASN A 84 2626 1859 1551 -137 24 271 O ATOM 669 ND2 ASN A 84 -15.239 -34.822 -8.713 1.00 17.51 N ANISOU 669 ND2 ASN A 84 2630 2111 1913 -276 -10 403 N ATOM 670 N AASN A 85 -14.890 -32.784 -13.806 0.49 13.33 N ANISOU 670 N AASN A 85 2574 1323 1169 -269 -242 144 N ATOM 671 CA AASN A 85 -15.457 -32.550 -15.133 0.49 16.65 C ANISOU 671 CA AASN A 85 3194 1610 1520 -342 -411 137 C ATOM 672 C AASN A 85 -15.527 -31.056 -15.452 0.49 16.39 C ANISOU 672 C AASN A 85 2950 1720 1558 -320 -333 134 C ATOM 673 O AASN A 85 -16.536 -30.543 -15.942 0.49 16.71 O ANISOU 673 O AASN A 85 2916 1751 1684 -448 -481 218 O ATOM 674 CB AASN A 85 -16.819 -33.233 -15.274 0.49 16.87 C ANISOU 674 CB AASN A 85 3274 1497 1640 -601 -734 273 C ATOM 675 CG AASN A 85 -16.790 -34.684 -14.819 0.49 24.44 C ANISOU 675 CG AASN A 85 4439 2292 2555 -654 -832 294 C ATOM 676 OD1AASN A 85 -16.016 -35.491 -15.337 0.49 32.27 O ANISOU 676 OD1AASN A 85 5871 3082 3307 -528 -802 180 O ATOM 677 ND2AASN A 85 -17.624 -35.020 -13.837 0.49 28.74 N ANISOU 677 ND2AASN A 85 4683 2909 3327 -797 -901 476 N ATOM 678 N BASN A 85 -14.914 -32.798 -13.809 0.51 13.35 N ANISOU 678 N BASN A 85 2578 1323 1173 -273 -246 145 N ATOM 679 CA BASN A 85 -15.480 -32.537 -15.134 0.51 16.77 C ANISOU 679 CA BASN A 85 3206 1627 1538 -346 -414 139 C ATOM 680 C BASN A 85 -15.539 -31.039 -15.430 0.51 16.28 C ANISOU 680 C BASN A 85 2928 1710 1548 -321 -331 135 C ATOM 681 O BASN A 85 -16.558 -30.503 -15.873 0.51 17.03 O ANISOU 681 O BASN A 85 2934 1802 1736 -448 -473 222 O ATOM 682 CB BASN A 85 -16.852 -33.196 -15.294 0.51 16.81 C ANISOU 682 CB BASN A 85 3260 1492 1636 -605 -739 277 C ATOM 683 CG BASN A 85 -17.347 -33.170 -16.728 0.51 23.33 C ANISOU 683 CG BASN A 85 4418 2117 2330 -736 -1026 289 C ATOM 684 OD1BASN A 85 -16.565 -33.311 -17.671 0.51 26.08 O ANISOU 684 OD1BASN A 85 5197 2313 2399 -580 -971 146 O ATOM 685 ND2BASN A 85 -18.651 -32.985 -16.900 0.51 27.55 N ANISOU 685 ND2BASN A 85 4762 2645 3062 -1005 -1327 517 N ATOM 686 N LEU A 86 -14.428 -30.358 -15.168 1.00 14.95 N ANISOU 686 N LEU A 86 2657 1661 1362 -174 -123 87 N ATOM 687 CA LEU A 86 -14.399 -28.907 -15.270 1.00 14.71 C ANISOU 687 CA LEU A 86 2447 1737 1405 -169 -56 86 C ATOM 688 C LEU A 86 -14.569 -28.444 -16.711 1.00 14.71 C ANISOU 688 C LEU A 86 2585 1672 1334 -146 -109 84 C ATOM 689 O LEU A 86 -14.151 -29.112 -17.660 1.00 16.30 O ANISOU 689 O LEU A 86 3086 1748 1361 -50 -117 66 O ATOM 690 CB LEU A 86 -13.092 -28.360 -14.694 1.00 13.94 C ANISOU 690 CB LEU A 86 2236 1741 1321 -94 75 98 C ATOM 691 CG LEU A 86 -13.040 -28.356 -13.162 1.00 13.33 C ANISOU 691 CG LEU A 86 2063 1720 1281 -160 74 97 C ATOM 692 CD1 LEU A 86 -11.610 -28.206 -12.665 1.00 16.55 C ANISOU 692 CD1 LEU A 86 2393 2196 1699 -154 79 185 C ATOM 693 CD2 LEU A 86 -13.912 -27.230 -12.645 1.00 14.92 C ANISOU 693 CD2 LEU A 86 2237 1915 1517 -208 93 70 C ATOM 694 N LYS A 87 -15.208 -27.291 -16.858 1.00 13.86 N ANISOU 694 N LYS A 87 2315 1622 1330 -202 -119 117 N ATOM 695 CA LYS A 87 -15.521 -26.697 -18.144 1.00 14.62 C ANISOU 695 CA LYS A 87 2498 1677 1381 -202 -189 143 C ATOM 696 C LYS A 87 -14.914 -25.304 -18.228 1.00 13.39 C ANISOU 696 C LYS A 87 2190 1612 1287 -123 -31 141 C ATOM 697 O LYS A 87 -14.613 -24.687 -17.198 1.00 12.57 O ANISOU 697 O LYS A 87 1937 1566 1271 -132 60 128 O ATOM 698 CB LYS A 87 -17.045 -26.590 -18.299 1.00 20.02 C ANISOU 698 CB LYS A 87 3071 2343 2194 -369 -385 283 C ATOM 699 CG LYS A 87 -17.756 -27.940 -18.381 1.00 28.51 C ANISOU 699 CG LYS A 87 4302 3288 3244 -537 -658 363 C ATOM 700 CD LYS A 87 -17.163 -28.807 -19.482 1.00 41.17 C ANISOU 700 CD LYS A 87 6414 4683 4544 -508 -793 246 C ATOM 701 CE LYS A 87 -17.472 -30.284 -19.262 1.00 49.09 C ANISOU 701 CE LYS A 87 7686 5497 5470 -646 -1022 261 C ATOM 702 NZ LYS A 87 -16.255 -31.132 -19.428 1.00 45.63 N ANISOU 702 NZ LYS A 87 7631 4917 4788 -410 -820 96 N ATOM 703 N PRO A 88 -14.704 -24.783 -19.439 1.00 13.49 N ANISOU 703 N PRO A 88 2296 1602 1228 -57 -21 165 N ATOM 704 CA PRO A 88 -14.147 -23.421 -19.559 1.00 11.56 C ANISOU 704 CA PRO A 88 1890 1426 1074 -9 104 202 C ATOM 705 C PRO A 88 -14.863 -22.385 -18.699 1.00 13.30 C ANISOU 705 C PRO A 88 1940 1667 1446 -90 121 205 C ATOM 706 O PRO A 88 -14.203 -21.518 -18.104 1.00 12.33 O ANISOU 706 O PRO A 88 1766 1542 1376 -100 187 197 O ATOM 707 CB PRO A 88 -14.274 -23.131 -21.063 1.00 12.98 C ANISOU 707 CB PRO A 88 2223 1566 1144 66 84 250 C ATOM 708 CG PRO A 88 -14.143 -24.486 -21.694 1.00 15.97 C ANISOU 708 CG PRO A 88 2961 1822 1283 141 25 218 C ATOM 709 CD PRO A 88 -14.828 -25.452 -20.750 1.00 14.79 C ANISOU 709 CD PRO A 88 2804 1638 1179 -10 -127 167 C ATOM 710 N GLU A 89 -16.193 -22.465 -18.592 1.00 12.12 N ANISOU 710 N GLU A 89 1733 1508 1363 -141 61 268 N ATOM 711 CA GLU A 89 -16.976 -21.507 -17.812 1.00 13.54 C ANISOU 711 CA GLU A 89 1799 1680 1665 -109 187 340 C ATOM 712 C GLU A 89 -16.816 -21.675 -16.304 1.00 14.31 C ANISOU 712 C GLU A 89 1957 1746 1736 -80 294 279 C ATOM 713 O GLU A 89 -17.452 -20.939 -15.547 1.00 15.00 O ANISOU 713 O GLU A 89 2075 1773 1851 20 465 343 O ATOM 714 CB GLU A 89 -18.449 -21.561 -18.220 1.00 16.48 C ANISOU 714 CB GLU A 89 2007 2078 2176 -133 128 570 C ATOM 715 CG GLU A 89 -19.135 -22.891 -17.919 1.00 22.76 C ANISOU 715 CG GLU A 89 2742 2885 3020 -241 -31 685 C ATOM 716 CD GLU A 89 -19.139 -23.851 -19.102 1.00 29.27 C ANISOU 716 CD GLU A 89 3725 3656 3741 -403 -355 682 C ATOM 717 OE1 GLU A 89 -20.003 -24.754 -19.109 1.00 37.05 O ANISOU 717 OE1 GLU A 89 4659 4609 4810 -566 -591 867 O ATOM 718 OE2 GLU A 89 -18.284 -23.719 -20.014 1.00 21.94 O ANISOU 718 OE2 GLU A 89 3018 2686 2631 -363 -380 529 O ATOM 719 N ASP A 90 -16.000 -22.620 -15.857 1.00 12.35 N ANISOU 719 N ASP A 90 1772 1515 1407 -129 224 184 N ATOM 720 CA ASP A 90 -15.605 -22.712 -14.464 1.00 12.49 C ANISOU 720 CA ASP A 90 1898 1493 1355 -127 277 119 C ATOM 721 C ASP A 90 -14.347 -21.909 -14.179 1.00 12.03 C ANISOU 721 C ASP A 90 1956 1378 1237 -196 216 54 C ATOM 722 O ASP A 90 -13.907 -21.859 -13.029 1.00 12.84 O ANISOU 722 O ASP A 90 2226 1409 1242 -247 175 11 O ATOM 723 CB ASP A 90 -15.434 -24.180 -14.076 1.00 13.60 C ANISOU 723 CB ASP A 90 2015 1684 1468 -162 207 109 C ATOM 724 CG ASP A 90 -16.744 -24.940 -14.151 1.00 15.09 C ANISOU 724 CG ASP A 90 2094 1890 1751 -162 197 239 C ATOM 725 OD1 ASP A 90 -17.752 -24.442 -13.591 1.00 13.48 O ANISOU 725 OD1 ASP A 90 1820 1676 1625 -78 342 378 O ATOM 726 OD2 ASP A 90 -16.790 -26.012 -14.792 1.00 15.12 O ANISOU 726 OD2 ASP A 90 2102 1891 1753 -237 43 255 O ATOM 727 N THR A 91 -13.768 -21.275 -15.202 1.00 11.41 N ANISOU 727 N THR A 91 1802 1317 1215 -219 176 92 N ATOM 728 CA THR A 91 -12.656 -20.355 -14.993 1.00 12.38 C ANISOU 728 CA THR A 91 1979 1372 1352 -335 69 130 C ATOM 729 C THR A 91 -13.115 -19.170 -14.155 1.00 13.80 C ANISOU 729 C THR A 91 2455 1346 1441 -359 83 59 C ATOM 730 O THR A 91 -14.119 -18.524 -14.471 1.00 13.98 O ANISOU 730 O THR A 91 2528 1312 1471 -227 249 51 O ATOM 731 CB THR A 91 -12.157 -19.859 -16.358 1.00 12.34 C ANISOU 731 CB THR A 91 1807 1429 1453 -309 82 243 C ATOM 732 OG1 THR A 91 -11.669 -20.977 -17.114 1.00 12.74 O ANISOU 732 OG1 THR A 91 1727 1607 1506 -211 131 320 O ATOM 733 CG2 THR A 91 -11.049 -18.833 -16.192 1.00 13.95 C ANISOU 733 CG2 THR A 91 2000 1557 1742 -472 -67 376 C ATOM 734 N ALA A 92 -12.374 -18.879 -13.088 1.00 15.09 N ANISOU 734 N ALA A 92 2495 1804 1433 -370 309 45 N ATOM 735 CA ALA A 92 -12.777 -17.841 -12.148 1.00 14.60 C ANISOU 735 CA ALA A 92 2456 1654 1436 -368 270 116 C ATOM 736 C ALA A 92 -11.697 -17.737 -11.084 1.00 14.38 C ANISOU 736 C ALA A 92 2327 1649 1487 -403 319 64 C ATOM 737 O ALA A 92 -10.849 -18.622 -10.947 1.00 14.51 O ANISOU 737 O ALA A 92 2233 1764 1515 -369 356 -16 O ATOM 738 CB ALA A 92 -14.102 -18.183 -11.455 1.00 13.90 C ANISOU 738 CB ALA A 92 2353 1527 1402 -278 167 132 C ATOM 739 N ILE A 93 -11.747 -16.648 -10.323 1.00 14.38 N ANISOU 739 N ILE A 93 2371 1572 1523 -454 320 103 N ATOM 740 CA ILE A 93 -11.053 -16.579 -9.042 1.00 14.52 C ANISOU 740 CA ILE A 93 2275 1632 1610 -484 331 45 C ATOM 741 C ILE A 93 -11.989 -17.157 -7.992 1.00 13.91 C ANISOU 741 C ILE A 93 2163 1501 1622 -354 239 50 C ATOM 742 O ILE A 93 -13.122 -16.691 -7.833 1.00 12.75 O ANISOU 742 O ILE A 93 2103 1254 1489 -307 186 108 O ATOM 743 CB ILE A 93 -10.664 -15.136 -8.688 1.00 16.70 C ANISOU 743 CB ILE A 93 2645 1838 1862 -646 395 58 C ATOM 744 CG1 ILE A 93 -9.893 -14.483 -9.837 1.00 16.70 C ANISOU 744 CG1 ILE A 93 2734 1864 1746 -820 506 70 C ATOM 745 CG2 ILE A 93 -9.834 -15.106 -7.398 1.00 16.34 C ANISOU 745 CG2 ILE A 93 2446 1907 1857 -713 406 -30 C ATOM 746 CD1 ILE A 93 -9.609 -13.006 -9.603 1.00 21.06 C ANISOU 746 CD1 ILE A 93 3473 2279 2248 -1023 598 88 C ATOM 747 N TYR A 94 -11.530 -18.182 -7.288 1.00 12.53 N ANISOU 747 N TYR A 94 1868 1406 1485 -280 225 -4 N ATOM 748 CA TYR A 94 -12.315 -18.833 -6.246 1.00 11.64 C ANISOU 748 CA TYR A 94 1742 1243 1436 -183 157 3 C ATOM 749 C TYR A 94 -11.886 -18.307 -4.882 1.00 11.74 C ANISOU 749 C TYR A 94 1679 1297 1484 -202 148 -16 C ATOM 750 O TYR A 94 -10.687 -18.185 -4.611 1.00 14.67 O ANISOU 750 O TYR A 94 1940 1809 1826 -240 186 -67 O ATOM 751 CB TYR A 94 -12.096 -20.342 -6.340 1.00 11.76 C ANISOU 751 CB TYR A 94 1747 1279 1444 -75 163 -30 C ATOM 752 CG TYR A 94 -12.854 -20.959 -7.497 1.00 11.88 C ANISOU 752 CG TYR A 94 1864 1233 1416 -88 164 -32 C ATOM 753 CD2 TYR A 94 -14.036 -21.661 -7.283 1.00 12.80 C ANISOU 753 CD2 TYR A 94 2049 1276 1540 -92 122 -29 C ATOM 754 CD1 TYR A 94 -12.412 -20.804 -8.819 1.00 13.09 C ANISOU 754 CD1 TYR A 94 2039 1435 1500 -131 211 -48 C ATOM 755 CE2 TYR A 94 -14.737 -22.228 -8.344 1.00 12.06 C ANISOU 755 CE2 TYR A 94 2033 1172 1379 -149 123 -56 C ATOM 756 CE1 TYR A 94 -13.111 -21.359 -9.876 1.00 12.90 C ANISOU 756 CE1 TYR A 94 2103 1386 1413 -158 207 -64 C ATOM 757 CZ TYR A 94 -14.275 -22.066 -9.636 1.00 12.69 C ANISOU 757 CZ TYR A 94 2132 1301 1388 -174 160 -74 C ATOM 758 OH TYR A 94 -14.974 -22.609 -10.690 1.00 13.37 O ANISOU 758 OH TYR A 94 2289 1407 1386 -245 156 -114 O ATOM 759 N TYR A 95 -12.865 -17.984 -4.029 1.00 10.96 N ANISOU 759 N TYR A 95 1617 1117 1428 -182 99 10 N ATOM 760 CA TYR A 95 -12.606 -17.387 -2.722 1.00 11.58 C ANISOU 760 CA TYR A 95 1646 1227 1527 -214 91 -18 C ATOM 761 C TYR A 95 -13.209 -18.232 -1.610 1.00 12.18 C ANISOU 761 C TYR A 95 1688 1307 1631 -116 38 -6 C ATOM 762 O TYR A 95 -14.373 -18.635 -1.680 1.00 13.39 O ANISOU 762 O TYR A 95 1896 1391 1802 -77 8 28 O ATOM 763 CB TYR A 95 -13.225 -15.997 -2.598 1.00 12.58 C ANISOU 763 CB TYR A 95 1889 1235 1658 -278 106 -4 C ATOM 764 CG TYR A 95 -12.700 -14.961 -3.559 1.00 13.74 C ANISOU 764 CG TYR A 95 2146 1320 1754 -401 179 1 C ATOM 765 CD1 TYR A 95 -13.278 -14.791 -4.809 1.00 13.85 C ANISOU 765 CD1 TYR A 95 2276 1251 1735 -361 184 70 C ATOM 766 CD2 TYR A 95 -11.646 -14.134 -3.203 1.00 17.19 C ANISOU 766 CD2 TYR A 95 2585 1796 2152 -580 251 -66 C ATOM 767 CE1 TYR A 95 -12.813 -13.820 -5.677 1.00 16.96 C ANISOU 767 CE1 TYR A 95 2818 1566 2062 -475 264 95 C ATOM 768 CE2 TYR A 95 -11.169 -13.170 -4.064 1.00 19.52 C ANISOU 768 CE2 TYR A 95 3024 2012 2381 -740 343 -62 C ATOM 769 CZ TYR A 95 -11.754 -13.018 -5.298 1.00 20.01 C ANISOU 769 CZ TYR A 95 3234 1955 2415 -676 353 30 C ATOM 770 OH TYR A 95 -11.271 -12.050 -6.154 1.00 24.97 O ANISOU 770 OH TYR A 95 4048 2484 2956 -839 458 53 O ATOM 771 N CYS A 96 -12.426 -18.436 -0.560 1.00 12.09 N ANISOU 771 N CYS A 96 1580 1410 1602 -95 30 -37 N ATOM 772 CA CYS A 96 -12.927 -19.000 0.681 1.00 11.93 C ANISOU 772 CA CYS A 96 1550 1397 1587 -22 -11 -18 C ATOM 773 C CYS A 96 -13.490 -17.869 1.533 1.00 12.29 C ANISOU 773 C CYS A 96 1609 1416 1646 -97 -18 -44 C ATOM 774 O CYS A 96 -12.957 -16.760 1.536 1.00 12.70 O ANISOU 774 O CYS A 96 1659 1483 1684 -205 14 -97 O ATOM 775 CB CYS A 96 -11.764 -19.651 1.421 1.00 14.37 C ANISOU 775 CB CYS A 96 1749 1875 1835 70 -22 -31 C ATOM 776 SG CYS A 96 -12.192 -20.403 2.970 1.00 15.20 S ANISOU 776 SG CYS A 96 1871 1998 1906 175 -65 15 S ATOM 777 N ALA A 97 -14.568 -18.155 2.263 1.00 11.44 N ANISOU 777 N ALA A 97 1531 1265 1550 -55 -44 -18 N ATOM 778 CA ALA A 97 -15.168 -17.139 3.119 1.00 12.18 C ANISOU 778 CA ALA A 97 1641 1341 1646 -89 -42 -53 C ATOM 779 C ALA A 97 -15.719 -17.808 4.365 1.00 11.39 C ANISOU 779 C ALA A 97 1510 1299 1520 -46 -66 -38 C ATOM 780 O ALA A 97 -16.136 -18.965 4.327 1.00 10.94 O ANISOU 780 O ALA A 97 1471 1233 1454 -6 -76 15 O ATOM 781 CB ALA A 97 -16.272 -16.357 2.392 1.00 12.74 C ANISOU 781 CB ALA A 97 1797 1303 1742 -68 -29 -38 C ATOM 782 N ALA A 98 -15.708 -17.073 5.476 1.00 10.96 N ANISOU 782 N ALA A 98 1434 1293 1437 -76 -63 -92 N ATOM 783 CA ALA A 98 -16.165 -17.619 6.751 1.00 10.67 C ANISOU 783 CA ALA A 98 1369 1334 1351 -47 -79 -78 C ATOM 784 C ALA A 98 -16.987 -16.595 7.521 1.00 13.13 C ANISOU 784 C ALA A 98 1698 1639 1652 -65 -55 -143 C ATOM 785 O ALA A 98 -16.790 -15.381 7.394 1.00 13.47 O ANISOU 785 O ALA A 98 1793 1618 1706 -103 -23 -214 O ATOM 786 CB ALA A 98 -14.992 -18.031 7.649 1.00 11.36 C ANISOU 786 CB ALA A 98 1385 1570 1360 -34 -107 -84 C ATOM 787 N ARG A 99 -17.882 -17.108 8.367 1.00 11.44 N ANISOU 787 N ARG A 99 1463 1484 1398 -41 -54 -122 N ATOM 788 CA ARG A 99 -18.680 -16.274 9.253 1.00 11.75 C ANISOU 788 CA ARG A 99 1500 1559 1406 -31 -23 -192 C ATOM 789 C ARG A 99 -19.067 -17.120 10.453 1.00 12.12 C ANISOU 789 C ARG A 99 1506 1729 1369 -47 -24 -162 C ATOM 790 O ARG A 99 -18.954 -18.345 10.421 1.00 13.00 O ANISOU 790 O ARG A 99 1631 1852 1455 -59 -39 -74 O ATOM 791 CB ARG A 99 -19.942 -15.754 8.559 1.00 12.31 C ANISOU 791 CB ARG A 99 1579 1588 1510 47 2 -198 C ATOM 792 CG ARG A 99 -20.909 -16.849 8.182 1.00 12.86 C ANISOU 792 CG ARG A 99 1583 1738 1567 37 -8 -134 C ATOM 793 CD ARG A 99 -22.089 -16.303 7.395 1.00 15.69 C ANISOU 793 CD ARG A 99 1893 2140 1927 133 -1 -148 C ATOM 794 NE ARG A 99 -23.091 -17.351 7.253 1.00 16.09 N ANISOU 794 NE ARG A 99 1843 2342 1927 59 -1 -122 N ATOM 795 CZ ARG A 99 -24.399 -17.196 7.421 1.00 14.40 C ANISOU 795 CZ ARG A 99 1498 2327 1646 100 18 -160 C ATOM 796 NH1 ARG A 99 -24.914 -16.011 7.712 1.00 18.81 N ANISOU 796 NH1 ARG A 99 2026 2937 2185 280 36 -215 N ATOM 797 NH2 ARG A 99 -25.192 -18.246 7.287 1.00 19.96 N ANISOU 797 NH2 ARG A 99 2110 3190 2284 -46 30 -152 N ATOM 798 N ARG A 100 -19.523 -16.449 11.518 1.00 12.88 N ANISOU 798 N ARG A 100 1587 1899 1407 -47 6 -238 N ATOM 799 CA ARG A 100 -19.880 -17.144 12.758 1.00 13.50 C ANISOU 799 CA ARG A 100 1637 2111 1380 -78 16 -213 C ATOM 800 C ARG A 100 -21.172 -17.946 12.608 1.00 13.63 C ANISOU 800 C ARG A 100 1627 2174 1379 -102 51 -159 C ATOM 801 O ARG A 100 -21.280 -19.068 13.122 1.00 14.04 O ANISOU 801 O ARG A 100 1714 2266 1353 -168 64 -78 O ATOM 802 CB ARG A 100 -20.024 -16.114 13.884 1.00 14.48 C ANISOU 802 CB ARG A 100 1752 2314 1435 -80 50 -332 C ATOM 803 CG ARG A 100 -20.338 -16.712 15.242 1.00 15.34 C ANISOU 803 CG ARG A 100 1834 2584 1409 -119 65 -313 C ATOM 804 CD ARG A 100 -20.204 -15.666 16.333 1.00 17.37 C ANISOU 804 CD ARG A 100 2092 2923 1583 -134 94 -452 C ATOM 805 NE ARG A 100 -21.176 -14.592 16.184 1.00 19.39 N ANISOU 805 NE ARG A 100 2364 3127 1877 -61 165 -563 N ATOM 806 CZ ARG A 100 -22.355 -14.559 16.794 1.00 26.33 C ANISOU 806 CZ ARG A 100 3186 4128 2690 -17 227 -598 C ATOM 807 NH1 ARG A 100 -22.716 -15.542 17.608 1.00 26.48 N ANISOU 807 NH1 ARG A 100 3147 4311 2602 -92 236 -531 N ATOM 808 NH2 ARG A 100 -23.171 -13.536 16.589 1.00 36.91 N ANISOU 808 NH2 ARG A 100 4541 5431 4053 114 290 -699 N ATOM 809 N ASP A 101 -22.168 -17.379 11.927 1.00 14.53 N ANISOU 809 N ASP A 101 1684 2299 1537 -55 75 -204 N ATOM 810 CA ASP A 101 -23.486 -17.997 11.817 1.00 15.48 C ANISOU 810 CA ASP A 101 1719 2554 1608 -109 113 -190 C ATOM 811 C ASP A 101 -23.379 -19.345 11.107 1.00 14.00 C ANISOU 811 C ASP A 101 1590 2303 1426 -230 104 -95 C ATOM 812 O ASP A 101 -22.776 -19.451 10.032 1.00 14.95 O ANISOU 812 O ASP A 101 1762 2292 1627 -202 65 -64 O ATOM 813 CB ASP A 101 -24.385 -17.036 11.027 1.00 20.99 C ANISOU 813 CB ASP A 101 2325 3311 2340 24 118 -253 C ATOM 814 CG ASP A 101 -25.846 -17.483 10.942 1.00 24.69 C ANISOU 814 CG ASP A 101 2627 4030 2724 -22 154 -273 C ATOM 815 OD1 ASP A 101 -26.148 -18.691 11.037 1.00 26.22 O ANISOU 815 OD1 ASP A 101 2810 4294 2859 -221 178 -229 O ATOM 816 OD2 ASP A 101 -26.707 -16.596 10.744 1.00 28.14 O ANISOU 816 OD2 ASP A 101 2950 4606 3136 146 167 -339 O ATOM 817 N TYR A 102 -23.970 -20.378 11.709 1.00 15.18 N ANISOU 817 N TYR A 102 1761 2533 1474 -380 157 -57 N ATOM 818 CA TYR A 102 -23.814 -21.741 11.207 1.00 15.23 C ANISOU 818 CA TYR A 102 1909 2421 1459 -516 178 28 C ATOM 819 C TYR A 102 -24.931 -22.187 10.268 1.00 19.00 C ANISOU 819 C TYR A 102 2312 2994 1914 -667 211 -9 C ATOM 820 O TYR A 102 -24.949 -23.358 9.867 1.00 18.29 O ANISOU 820 O TYR A 102 2371 2796 1784 -831 253 37 O ATOM 821 CB TYR A 102 -23.637 -22.745 12.357 1.00 16.23 C ANISOU 821 CB TYR A 102 2194 2512 1462 -614 233 112 C ATOM 822 CG TYR A 102 -24.680 -22.672 13.452 1.00 22.52 C ANISOU 822 CG TYR A 102 2904 3519 2133 -733 306 72 C ATOM 823 CD1 TYR A 102 -26.034 -22.726 13.165 1.00 26.00 C ANISOU 823 CD1 TYR A 102 3197 4161 2521 -893 366 -2 C ATOM 824 CD2 TYR A 102 -24.301 -22.581 14.777 1.00 33.38 C ANISOU 824 CD2 TYR A 102 4327 4937 3417 -692 316 103 C ATOM 825 CE1 TYR A 102 -26.979 -22.669 14.170 1.00 30.72 C ANISOU 825 CE1 TYR A 102 3688 4998 2987 -1007 445 -50 C ATOM 826 CE2 TYR A 102 -25.236 -22.528 15.785 1.00 34.56 C ANISOU 826 CE2 TYR A 102 4402 5293 3437 -807 394 63 C ATOM 827 CZ TYR A 102 -26.573 -22.576 15.474 1.00 33.15 C ANISOU 827 CZ TYR A 102 4069 5310 3215 -966 465 -14 C ATOM 828 OH TYR A 102 -27.509 -22.522 16.479 1.00 42.10 O ANISOU 828 OH TYR A 102 5098 6695 4203 -1085 554 -66 O ATOM 829 N SER A 103 -25.882 -21.318 9.937 1.00 16.16 N ANISOU 829 N SER A 103 1737 2849 1555 -613 200 -96 N ATOM 830 C SER A 103 -26.001 -21.484 7.514 1.00 16.86 C ANISOU 830 C SER A 103 1790 2893 1723 -619 132 -109 C ATOM 831 O SER A 103 -24.852 -21.035 7.484 1.00 17.35 O ANISOU 831 O SER A 103 1958 2751 1881 -466 90 -67 O ATOM 832 CA ASER A 103 -26.771 -21.623 8.827 0.58 16.89 C ANISOU 832 CA ASER A 103 1719 3081 1618 -720 201 -138 C ATOM 833 CB ASER A 103 -27.999 -20.711 8.854 0.58 18.08 C ANISOU 833 CB ASER A 103 1592 3573 1707 -625 200 -232 C ATOM 834 OG ASER A 103 -28.793 -20.943 10.006 0.58 19.70 O ANISOU 834 OG ASER A 103 1700 3997 1787 -752 280 -274 O ATOM 835 CA BSER A 103 -26.769 -21.628 8.828 0.42 16.89 C ANISOU 835 CA BSER A 103 1720 3080 1618 -721 201 -138 C ATOM 836 CB BSER A 103 -28.001 -20.725 8.855 0.42 18.09 C ANISOU 836 CB BSER A 103 1594 3574 1707 -628 200 -232 C ATOM 837 OG BSER A 103 -27.646 -19.372 8.635 0.42 17.97 O ANISOU 837 OG BSER A 103 1547 3501 1780 -323 141 -245 O ATOM 838 N LEU A 104 -26.636 -21.885 6.416 1.00 16.29 N ANISOU 838 N LEU A 104 1649 2927 1612 -729 124 -142 N ATOM 839 CA LEU A 104 -26.001 -21.807 5.105 1.00 16.14 C ANISOU 839 CA LEU A 104 1698 2764 1671 -653 67 -120 C ATOM 840 C LEU A 104 -26.519 -20.587 4.354 1.00 15.48 C ANISOU 840 C LEU A 104 1431 2855 1595 -443 0 -151 C ATOM 841 O LEU A 104 -27.735 -20.405 4.227 1.00 18.71 O ANISOU 841 O LEU A 104 1626 3584 1899 -457 -3 -211 O ATOM 842 CB LEU A 104 -26.251 -23.088 4.308 1.00 16.23 C ANISOU 842 CB LEU A 104 1801 2750 1615 -912 106 -138 C ATOM 843 CG LEU A 104 -25.698 -24.322 5.024 1.00 16.56 C ANISOU 843 CG LEU A 104 2110 2551 1632 -1076 190 -87 C ATOM 844 CD1 LEU A 104 -26.113 -25.620 4.348 1.00 20.79 C ANISOU 844 CD1 LEU A 104 2794 3035 2071 -1377 265 -127 C ATOM 845 CD2 LEU A 104 -24.175 -24.211 5.150 1.00 18.83 C ANISOU 845 CD2 LEU A 104 2572 2550 2031 -861 158 -1 C ATOM 846 N SER A 105 -25.600 -19.750 3.872 1.00 14.24 N ANISOU 846 N SER A 105 1365 2508 1540 -244 -45 -109 N ATOM 847 CA SER A 105 -25.952 -18.522 3.170 1.00 14.79 C ANISOU 847 CA SER A 105 1351 2661 1608 -10 -94 -111 C ATOM 848 C SER A 105 -25.173 -18.422 1.868 1.00 14.69 C ANISOU 848 C SER A 105 1453 2484 1646 28 -133 -64 C ATOM 849 O SER A 105 -23.985 -18.747 1.822 1.00 14.87 O ANISOU 849 O SER A 105 1630 2269 1749 -29 -120 -32 O ATOM 850 CB SER A 105 -25.636 -17.282 4.026 1.00 16.25 C ANISOU 850 CB SER A 105 1588 2746 1841 197 -79 -113 C ATOM 851 OG SER A 105 -25.783 -16.095 3.260 1.00 17.88 O ANISOU 851 OG SER A 105 1820 2931 2044 441 -108 -94 O ATOM 852 N SER A 106 -25.848 -17.957 0.815 1.00 14.89 N ANISOU 852 N SER A 106 1385 2671 1601 143 -181 -59 N ATOM 853 CA SER A 106 -25.226 -17.709 -0.476 1.00 14.50 C ANISOU 853 CA SER A 106 1441 2496 1571 199 -215 -9 C ATOM 854 C SER A 106 -24.823 -16.252 -0.665 1.00 16.96 C ANISOU 854 C SER A 106 1874 2653 1915 454 -218 47 C ATOM 855 O SER A 106 -24.293 -15.901 -1.724 1.00 16.99 O ANISOU 855 O SER A 106 1990 2544 1920 504 -234 101 O ATOM 856 CB SER A 106 -26.204 -18.105 -1.586 1.00 15.94 C ANISOU 856 CB SER A 106 1470 2968 1620 162 -268 -31 C ATOM 857 OG SER A 106 -27.364 -17.287 -1.540 1.00 17.77 O ANISOU 857 OG SER A 106 1518 3492 1742 384 -307 -37 O ATOM 858 N SER A 107 -25.065 -15.398 0.327 1.00 17.68 N ANISOU 858 N SER A 107 1977 2723 2019 602 -189 32 N ATOM 859 C SER A 107 -23.477 -13.571 0.634 1.00 16.81 C ANISOU 859 C SER A 107 2248 2123 2016 741 -110 69 C ATOM 860 O SER A 107 -23.121 -13.765 1.801 1.00 16.74 O ANISOU 860 O SER A 107 2227 2077 2056 639 -78 13 O ATOM 861 CA ASER A 107 -24.875 -13.962 0.175 0.73 16.30 C ANISOU 861 CA ASER A 107 1970 2380 1845 849 -169 73 C ATOM 862 CB ASER A 107 -25.930 -13.203 0.978 0.73 21.92 C ANISOU 862 CB ASER A 107 2601 3239 2487 1086 -152 38 C ATOM 863 OG ASER A 107 -25.780 -11.808 0.816 0.73 27.98 O ANISOU 863 OG ASER A 107 3602 3792 3239 1347 -112 79 O ATOM 864 CA BSER A 107 -24.878 -13.958 0.185 0.27 17.75 C ANISOU 864 CA BSER A 107 2153 2564 2029 849 -169 73 C ATOM 865 CB BSER A 107 -25.904 -13.199 1.024 0.27 21.50 C ANISOU 865 CB BSER A 107 2553 3179 2438 1082 -150 36 C ATOM 866 OG BSER A 107 -27.221 -13.583 0.694 0.27 21.73 O ANISOU 866 OG BSER A 107 2317 3597 2341 1170 -203 20 O ATOM 867 N ASER A 108 -22.691 -12.995 -0.280 0.66 17.09 N ANISOU 867 N ASER A 108 2469 1960 2063 751 -93 124 N ATOM 868 CA ASER A 108 -21.345 -12.563 0.079 0.66 19.67 C ANISOU 868 CA ASER A 108 2970 2041 2461 609 -29 101 C ATOM 869 C ASER A 108 -21.362 -11.546 1.214 0.66 20.51 C ANISOU 869 C ASER A 108 3200 2023 2570 678 35 42 C ATOM 870 O ASER A 108 -20.440 -11.528 2.040 0.66 19.86 O ANISOU 870 O ASER A 108 3152 1859 2532 507 74 -24 O ATOM 871 CB ASER A 108 -20.626 -11.999 -1.148 0.66 21.51 C ANISOU 871 CB ASER A 108 3392 2107 2674 592 -1 166 C ATOM 872 OG ASER A 108 -21.298 -10.854 -1.634 0.66 23.51 O ANISOU 872 OG ASER A 108 3822 2265 2845 834 21 229 O ATOM 873 N BSER A 108 -22.705 -12.987 -0.289 0.34 17.75 N ANISOU 873 N BSER A 108 2553 2046 2146 755 -94 125 N ATOM 874 CA BSER A 108 -21.356 -12.527 0.022 0.34 19.59 C ANISOU 874 CA BSER A 108 2968 2028 2448 616 -29 105 C ATOM 875 C BSER A 108 -21.349 -11.518 1.166 0.34 20.18 C ANISOU 875 C BSER A 108 3165 1974 2527 680 36 44 C ATOM 876 O BSER A 108 -20.392 -11.478 1.950 0.34 20.30 O ANISOU 876 O BSER A 108 3223 1901 2588 506 76 -20 O ATOM 877 CB BSER A 108 -20.728 -11.926 -1.239 0.34 21.52 C ANISOU 877 CB BSER A 108 3402 2109 2666 618 -3 174 C ATOM 878 OG BSER A 108 -19.416 -11.456 -1.004 0.34 22.21 O ANISOU 878 OG BSER A 108 3642 2002 2795 436 72 138 O ATOM 879 N ASP A 109 -22.408 -10.712 1.288 1.00 18.05 N ANISOU 879 N ASP A 109 2947 1721 2191 942 49 54 N ATOM 880 CA ASP A 109 -22.486 -9.695 2.337 1.00 20.70 C ANISOU 880 CA ASP A 109 3442 1911 2514 1034 128 -17 C ATOM 881 C ASP A 109 -22.534 -10.286 3.738 1.00 21.92 C ANISOU 881 C ASP A 109 3421 2209 2700 913 125 -114 C ATOM 882 O ASP A 109 -22.237 -9.575 4.704 1.00 26.77 O ANISOU 882 O ASP A 109 4169 2693 3309 890 196 -199 O ATOM 883 CB ASP A 109 -23.730 -8.827 2.142 1.00 29.20 C ANISOU 883 CB ASP A 109 4585 3018 3491 1409 141 18 C ATOM 884 CG ASP A 109 -23.576 -7.830 1.017 1.00 39.05 C ANISOU 884 CG ASP A 109 6066 4096 4674 1464 171 111 C ATOM 885 OD1 ASP A 109 -22.502 -7.811 0.376 1.00 43.31 O ANISOU 885 OD1 ASP A 109 6744 4463 5251 1256 196 141 O ATOM 886 OD2 ASP A 109 -24.533 -7.066 0.774 1.00 48.23 O ANISOU 886 OD2 ASP A 109 7272 5320 5732 1719 176 151 O ATOM 887 N ASP A 110 -22.903 -11.560 3.874 1.00 19.00 N ANISOU 887 N ASP A 110 2784 2091 2342 819 56 -106 N ATOM 888 CA ASP A 110 -22.980 -12.205 5.179 1.00 16.62 C ANISOU 888 CA ASP A 110 2341 1926 2047 702 59 -174 C ATOM 889 C ASP A 110 -21.627 -12.666 5.709 1.00 16.67 C ANISOU 889 C ASP A 110 2382 1845 2106 461 63 -198 C ATOM 890 O ASP A 110 -21.559 -13.121 6.857 1.00 18.98 O ANISOU 890 O ASP A 110 2594 2235 2384 377 66 -244 O ATOM 891 CB ASP A 110 -23.908 -13.426 5.116 1.00 18.57 C ANISOU 891 CB ASP A 110 2340 2455 2259 661 7 -152 C ATOM 892 CG ASP A 110 -25.378 -13.052 4.960 1.00 25.04 C ANISOU 892 CG ASP A 110 3024 3503 2986 891 1 -162 C ATOM 893 OD1 ASP A 110 -25.743 -11.889 5.238 1.00 29.44 O ANISOU 893 OD1 ASP A 110 3682 3997 3506 1128 45 -192 O ATOM 894 OD2 ASP A 110 -26.176 -13.932 4.569 1.00 22.98 O ANISOU 894 OD2 ASP A 110 2558 3504 2671 834 -41 -151 O ATOM 895 N PHE A 111 -20.558 -12.589 4.916 1.00 15.38 N ANISOU 895 N PHE A 111 2318 1544 1983 358 62 -169 N ATOM 896 CA PHE A 111 -19.264 -13.151 5.299 1.00 13.39 C ANISOU 896 CA PHE A 111 2036 1297 1756 163 54 -190 C ATOM 897 C PHE A 111 -18.261 -12.036 5.574 1.00 17.88 C ANISOU 897 C PHE A 111 2763 1720 2310 56 118 -268 C ATOM 898 O PHE A 111 -18.005 -11.195 4.706 1.00 18.91 O ANISOU 898 O PHE A 111 3065 1681 2440 53 165 -256 O ATOM 899 CB PHE A 111 -18.764 -14.113 4.222 1.00 12.25 C ANISOU 899 CB PHE A 111 1835 1178 1643 105 12 -118 C ATOM 900 CG PHE A 111 -19.626 -15.332 4.083 1.00 12.09 C ANISOU 900 CG PHE A 111 1689 1289 1616 131 -33 -70 C ATOM 901 CD1 PHE A 111 -20.809 -15.286 3.355 1.00 12.12 C ANISOU 901 CD1 PHE A 111 1655 1356 1594 231 -50 -41 C ATOM 902 CD2 PHE A 111 -19.288 -16.515 4.725 1.00 13.06 C ANISOU 902 CD2 PHE A 111 1744 1487 1731 52 -49 -58 C ATOM 903 CE1 PHE A 111 -21.621 -16.401 3.259 1.00 12.94 C ANISOU 903 CE1 PHE A 111 1640 1610 1665 185 -76 -25 C ATOM 904 CE2 PHE A 111 -20.096 -17.637 4.621 1.00 12.26 C ANISOU 904 CE2 PHE A 111 1588 1467 1605 24 -62 -24 C ATOM 905 CZ PHE A 111 -21.272 -17.576 3.892 1.00 13.48 C ANISOU 905 CZ PHE A 111 1689 1700 1734 58 -72 -21 C ATOM 906 N ASP A 112 -17.682 -12.036 6.779 1.00 18.32 N ANISOU 906 N ASP A 112 2775 1854 2333 -57 126 -351 N ATOM 907 C ASP A 112 -15.293 -11.389 7.069 1.00 22.37 C ANISOU 907 C ASP A 112 3318 2401 2780 -424 175 -488 C ATOM 908 O ASP A 112 -14.418 -10.564 7.342 1.00 29.54 O ANISOU 908 O ASP A 112 4307 3289 3629 -625 235 -599 O ATOM 909 CA AASP A 112 -16.758 -10.993 7.204 0.53 21.09 C ANISOU 909 CA AASP A 112 3260 2114 2639 -221 194 -463 C ATOM 910 CB AASP A 112 -17.036 -10.595 8.658 0.53 24.08 C ANISOU 910 CB AASP A 112 3647 2546 2956 -234 221 -571 C ATOM 911 CG AASP A 112 -18.292 -9.760 8.810 0.53 25.68 C ANISOU 911 CG AASP A 112 4003 2604 3151 -36 281 -592 C ATOM 912 OD1AASP A 112 -18.864 -9.334 7.787 0.53 24.22 O ANISOU 912 OD1AASP A 112 3941 2268 2995 116 303 -523 O ATOM 913 OD2AASP A 112 -18.703 -9.524 9.965 0.53 27.99 O ANISOU 913 OD2AASP A 112 4289 2957 3389 -10 307 -679 O ATOM 914 CA BASP A 112 -16.757 -10.986 7.183 0.47 21.05 C ANISOU 914 CA BASP A 112 3257 2106 2635 -221 195 -462 C ATOM 915 CB BASP A 112 -17.051 -10.519 8.615 0.47 24.05 C ANISOU 915 CB BASP A 112 3658 2527 2953 -232 226 -572 C ATOM 916 CG BASP A 112 -18.095 -11.372 9.308 0.47 24.15 C ANISOU 916 CG BASP A 112 3513 2699 2964 -82 174 -526 C ATOM 917 OD1BASP A 112 -18.051 -12.611 9.169 0.47 26.45 O ANISOU 917 OD1BASP A 112 3642 3133 3276 -76 103 -437 O ATOM 918 OD2BASP A 112 -18.955 -10.799 10.008 0.47 28.88 O ANISOU 918 OD2BASP A 112 4170 3276 3526 21 220 -586 O ATOM 919 N TYR A 113 -15.001 -12.628 6.682 1.00 13.65 N ANISOU 919 N TYR A 113 2041 1444 1703 -379 101 -402 N ATOM 920 CA TYR A 113 -13.630 -13.106 6.553 1.00 13.85 C ANISOU 920 CA TYR A 113 1929 1642 1689 -500 78 -421 C ATOM 921 C TYR A 113 -13.474 -13.762 5.196 1.00 13.00 C ANISOU 921 C TYR A 113 1801 1504 1636 -440 64 -328 C ATOM 922 O TYR A 113 -14.320 -14.568 4.800 1.00 11.92 O ANISOU 922 O TYR A 113 1657 1324 1549 -293 26 -236 O ATOM 923 CB TYR A 113 -13.303 -14.121 7.650 1.00 13.69 C ANISOU 923 CB TYR A 113 1731 1861 1612 -445 6 -411 C ATOM 924 CG TYR A 113 -13.415 -13.522 9.028 1.00 14.67 C ANISOU 924 CG TYR A 113 1860 2055 1658 -515 17 -511 C ATOM 925 CD1 TYR A 113 -12.372 -12.779 9.562 1.00 16.28 C ANISOU 925 CD1 TYR A 113 2025 2399 1763 -721 42 -648 C ATOM 926 CD2 TYR A 113 -14.579 -13.667 9.779 1.00 14.27 C ANISOU 926 CD2 TYR A 113 1849 1957 1614 -403 11 -487 C ATOM 927 CE1 TYR A 113 -12.464 -12.210 10.824 1.00 17.71 C ANISOU 927 CE1 TYR A 113 2223 2653 1854 -808 57 -761 C ATOM 928 CE2 TYR A 113 -14.684 -13.095 11.036 1.00 15.32 C ANISOU 928 CE2 TYR A 113 1995 2161 1664 -466 31 -590 C ATOM 929 CZ TYR A 113 -13.621 -12.371 11.553 1.00 16.86 C ANISOU 929 CZ TYR A 113 2170 2475 1762 -665 51 -728 C ATOM 930 OH TYR A 113 -13.700 -11.796 12.806 1.00 19.03 O ANISOU 930 OH TYR A 113 2467 2831 1933 -751 74 -852 O ATOM 931 N TRP A 114 -12.378 -13.442 4.511 1.00 15.37 N ANISOU 931 N TRP A 114 2083 1853 1906 -582 102 -367 N ATOM 932 CA TRP A 114 -12.152 -13.879 3.142 1.00 14.14 C ANISOU 932 CA TRP A 114 1926 1663 1781 -549 109 -298 C ATOM 933 C TRP A 114 -10.715 -14.329 2.947 1.00 14.33 C ANISOU 933 C TRP A 114 1768 1935 1741 -633 110 -342 C ATOM 934 O TRP A 114 -9.783 -13.722 3.481 1.00 16.54 O ANISOU 934 O TRP A 114 1970 2377 1937 -819 142 -451 O ATOM 935 CB TRP A 114 -12.457 -12.730 2.163 1.00 15.16 C ANISOU 935 CB TRP A 114 2279 1561 1920 -630 189 -289 C ATOM 936 CG TRP A 114 -13.914 -12.405 2.137 1.00 13.77 C ANISOU 936 CG TRP A 114 2251 1194 1789 -462 178 -227 C ATOM 937 CD1 TRP A 114 -14.593 -11.586 2.998 1.00 16.87 C ANISOU 937 CD1 TRP A 114 2761 1477 2171 -429 205 -271 C ATOM 938 CD2 TRP A 114 -14.888 -12.927 1.226 1.00 15.45 C ANISOU 938 CD2 TRP A 114 2478 1355 2039 -291 135 -124 C ATOM 939 NE1 TRP A 114 -15.924 -11.554 2.665 1.00 17.95 N ANISOU 939 NE1 TRP A 114 2965 1521 2334 -217 181 -195 N ATOM 940 CE2 TRP A 114 -16.134 -12.374 1.586 1.00 16.69 C ANISOU 940 CE2 TRP A 114 2729 1413 2199 -146 132 -106 C ATOM 941 CE3 TRP A 114 -14.826 -13.804 0.138 1.00 15.62 C ANISOU 941 CE3 TRP A 114 2434 1428 2072 -250 104 -59 C ATOM 942 CZ2 TRP A 114 -17.310 -12.669 0.895 1.00 14.28 C ANISOU 942 CZ2 TRP A 114 2416 1112 1896 30 88 -26 C ATOM 943 CZ3 TRP A 114 -15.994 -14.089 -0.550 1.00 16.77 C ANISOU 943 CZ3 TRP A 114 2605 1542 2225 -108 64 14 C ATOM 944 CH2 TRP A 114 -17.217 -13.524 -0.169 1.00 15.24 C ANISOU 944 CH2 TRP A 114 2466 1301 2023 26 51 30 C ATOM 945 N GLY A 115 -10.546 -15.384 2.153 1.00 13.86 N ANISOU 945 N GLY A 115 1637 1926 1703 -500 83 -272 N ATOM 946 CA GLY A 115 -9.246 -15.771 1.662 1.00 15.44 C ANISOU 946 CA GLY A 115 1672 2358 1836 -534 101 -310 C ATOM 947 C GLY A 115 -8.774 -14.838 0.559 1.00 18.20 C ANISOU 947 C GLY A 115 2096 2657 2161 -744 194 -350 C ATOM 948 O GLY A 115 -9.479 -13.932 0.113 1.00 17.37 O ANISOU 948 O GLY A 115 2211 2299 2091 -829 242 -326 O ATOM 949 N GLN A 116 -7.546 -15.094 0.103 1.00 19.01 N ANISOU 949 N GLN A 116 2018 3024 2183 -808 227 -405 N ATOM 950 CA GLN A 116 -6.871 -14.226 -0.862 1.00 21.37 C ANISOU 950 CA GLN A 116 2358 3343 2420 -1065 335 -460 C ATOM 951 C GLN A 116 -7.425 -14.342 -2.282 1.00 20.73 C ANISOU 951 C GLN A 116 2448 3040 2387 -1003 369 -364 C ATOM 952 O GLN A 116 -7.230 -13.422 -3.087 1.00 24.96 O ANISOU 952 O GLN A 116 3130 3477 2877 -1216 467 -373 O ATOM 953 CB GLN A 116 -5.372 -14.547 -0.861 1.00 26.94 C ANISOU 953 CB GLN A 116 2752 4487 2997 -1144 360 -563 C ATOM 954 CG GLN A 116 -5.013 -15.865 -1.573 1.00 37.21 C ANISOU 954 CG GLN A 116 3907 5936 4296 -865 330 -512 C ATOM 955 CD GLN A 116 -4.812 -17.054 -0.624 1.00 44.32 C ANISOU 955 CD GLN A 116 4629 7034 5178 -548 228 -490 C ATOM 956 OE1 GLN A 116 -5.546 -17.233 0.359 1.00 35.28 O ANISOU 956 OE1 GLN A 116 3564 5757 4086 -445 156 -442 O ATOM 957 NE2 GLN A 116 -3.813 -17.880 -0.929 1.00 46.08 N ANISOU 957 NE2 GLN A 116 4624 7577 5307 -370 233 -518 N ATOM 958 N GLY A 117 -8.100 -15.438 -2.611 1.00 16.91 N ANISOU 958 N GLY A 117 1972 2479 1973 -741 301 -278 N ATOM 959 CA GLY A 117 -8.532 -15.685 -3.975 1.00 16.32 C ANISOU 959 CA GLY A 117 2018 2268 1913 -688 325 -209 C ATOM 960 C GLY A 117 -7.553 -16.584 -4.702 1.00 20.82 C ANISOU 960 C GLY A 117 2422 3062 2424 -620 355 -244 C ATOM 961 O GLY A 117 -6.341 -16.344 -4.672 1.00 24.42 O ANISOU 961 O GLY A 117 2702 3786 2791 -746 413 -331 O ATOM 962 N THR A 118 -8.061 -17.630 -5.352 1.00 16.68 N ANISOU 962 N THR A 118 1813 2520 2004 255 182 230 N ATOM 963 C THR A 118 -7.731 -18.689 -7.494 1.00 15.80 C ANISOU 963 C THR A 118 1917 2258 1827 224 220 271 C ATOM 964 O THR A 118 -8.906 -18.987 -7.726 1.00 14.55 O ANISOU 964 O THR A 118 1895 1878 1756 211 161 364 O ATOM 965 CA ATHR A 118 -7.242 -18.613 -6.055 0.69 14.56 C ANISOU 965 CA ATHR A 118 1574 2318 1640 349 235 224 C ATOM 966 CB ATHR A 118 -7.422 -19.983 -5.395 0.69 17.20 C ANISOU 966 CB ATHR A 118 1918 2658 1961 596 246 310 C ATOM 967 OG1ATHR A 118 -7.020 -19.911 -4.022 0.69 19.01 O ANISOU 967 OG1ATHR A 118 2007 3080 2137 685 237 276 O ATOM 968 CG2ATHR A 118 -6.605 -21.028 -6.103 0.69 25.32 C ANISOU 968 CG2ATHR A 118 2982 3730 2907 709 311 299 C ATOM 969 CA BTHR A 118 -7.223 -18.583 -6.066 0.31 15.48 C ANISOU 969 CA BTHR A 118 1689 2438 1756 345 236 221 C ATOM 970 CB BTHR A 118 -7.187 -19.953 -5.370 0.31 18.82 C ANISOU 970 CB BTHR A 118 2095 2909 2145 603 256 291 C ATOM 971 OG1BTHR A 118 -6.441 -20.882 -6.167 0.31 25.60 O ANISOU 971 OG1BTHR A 118 3002 3797 2929 689 315 279 O ATOM 972 CG2BTHR A 118 -8.586 -20.500 -5.128 0.31 17.49 C ANISOU 972 CG2BTHR A 118 2056 2491 2097 649 205 427 C ATOM 973 N GLN A 119 -6.842 -18.424 -8.449 1.00 15.41 N ANISOU 973 N GLN A 119 1863 2294 1700 137 272 204 N ATOM 974 CA GLN A 119 -7.221 -18.487 -9.857 1.00 14.83 C ANISOU 974 CA GLN A 119 1952 2063 1619 33 261 244 C ATOM 975 C GLN A 119 -7.348 -19.937 -10.298 1.00 14.16 C ANISOU 975 C GLN A 119 1973 1906 1502 183 263 267 C ATOM 976 O GLN A 119 -6.486 -20.767 -9.999 1.00 16.29 O ANISOU 976 O GLN A 119 2175 2313 1702 343 323 225 O ATOM 977 CB GLN A 119 -6.182 -17.776 -10.724 1.00 13.55 C ANISOU 977 CB GLN A 119 1742 2035 1372 -94 332 176 C ATOM 978 CG GLN A 119 -6.474 -17.860 -12.227 1.00 15.73 C ANISOU 978 CG GLN A 119 2174 2200 1602 -180 329 219 C ATOM 979 CD GLN A 119 -7.742 -17.138 -12.598 1.00 18.83 C ANISOU 979 CD GLN A 119 2681 2385 2087 -310 257 317 C ATOM 980 OE1 GLN A 119 -8.009 -16.046 -12.104 1.00 22.61 O ANISOU 980 OE1 GLN A 119 3109 2828 2654 -416 252 338 O ATOM 981 NE2 GLN A 119 -8.524 -17.731 -13.492 1.00 20.76 N ANISOU 981 NE2 GLN A 119 3076 2500 2312 -302 204 367 N ATOM 982 N VAL A 120 -8.430 -20.238 -11.010 1.00 14.79 N ANISOU 982 N VAL A 120 2211 1771 1638 132 202 326 N ATOM 983 CA VAL A 120 -8.619 -21.521 -11.670 1.00 15.35 C ANISOU 983 CA VAL A 120 2397 1741 1694 229 206 317 C ATOM 984 C VAL A 120 -8.904 -21.219 -13.135 1.00 14.12 C ANISOU 984 C VAL A 120 2359 1526 1481 87 178 300 C ATOM 985 O VAL A 120 -9.855 -20.490 -13.446 1.00 13.19 O ANISOU 985 O VAL A 120 2299 1298 1413 -43 107 362 O ATOM 986 CB VAL A 120 -9.779 -22.306 -11.046 1.00 13.03 C ANISOU 986 CB VAL A 120 2168 1248 1535 309 155 390 C ATOM 987 CG1 VAL A 120 -10.166 -23.466 -11.932 1.00 16.22 C ANISOU 987 CG1 VAL A 120 2707 1499 1955 348 151 358 C ATOM 988 CG2 VAL A 120 -9.389 -22.809 -9.650 1.00 13.16 C ANISOU 988 CG2 VAL A 120 2070 1351 1580 495 203 424 C ATOM 989 N THR A 121 -8.076 -21.752 -14.033 1.00 13.79 N ANISOU 989 N THR A 121 2342 1577 1321 126 236 222 N ATOM 990 CA THR A 121 -8.247 -21.534 -15.465 1.00 14.72 C ANISOU 990 CA THR A 121 2560 1686 1348 16 217 202 C ATOM 991 C THR A 121 -8.446 -22.878 -16.146 1.00 16.45 C ANISOU 991 C THR A 121 2886 1820 1544 111 213 122 C ATOM 992 O THR A 121 -7.566 -23.742 -16.090 1.00 20.03 O ANISOU 992 O THR A 121 3313 2346 1951 250 291 47 O ATOM 993 CB THR A 121 -7.039 -20.816 -16.070 1.00 16.69 C ANISOU 993 CB THR A 121 2734 2146 1459 -45 302 168 C ATOM 994 OG1 THR A 121 -6.735 -19.658 -15.285 1.00 17.28 O ANISOU 994 OG1 THR A 121 2690 2291 1585 -129 323 210 O ATOM 995 CG2 THR A 121 -7.338 -20.386 -17.507 1.00 17.63 C ANISOU 995 CG2 THR A 121 2952 2271 1477 -163 283 186 C ATOM 996 N VAL A 122 -9.594 -23.053 -16.792 1.00 14.04 N ANISOU 996 N VAL A 122 2694 1366 1274 40 126 128 N ATOM 997 CA VAL A 122 -9.929 -24.294 -17.475 1.00 15.08 C ANISOU 997 CA VAL A 122 2928 1396 1405 102 113 23 C ATOM 998 C VAL A 122 -9.790 -24.040 -18.967 1.00 16.20 C ANISOU 998 C VAL A 122 3130 1651 1374 19 99 -43 C ATOM 999 O VAL A 122 -10.538 -23.239 -19.544 1.00 16.01 O ANISOU 999 O VAL A 122 3140 1629 1313 -108 23 19 O ATOM 1000 CB VAL A 122 -11.339 -24.783 -17.118 1.00 14.60 C ANISOU 1000 CB VAL A 122 2931 1104 1510 80 24 51 C ATOM 1001 CG1 VAL A 122 -11.604 -26.149 -17.753 1.00 15.98 C ANISOU 1001 CG1 VAL A 122 3200 1157 1716 139 29 -90 C ATOM 1002 CG2 VAL A 122 -11.494 -24.847 -15.591 1.00 13.49 C ANISOU 1002 CG2 VAL A 122 2718 884 1525 161 44 150 C ATOM 1003 N ASER A 123 -8.817 -24.700 -19.585 0.55 17.51 N ANISOU 1003 N ASER A 123 3303 1927 1422 106 180 -159 N ATOM 1004 CA ASER A 123 -8.582 -24.506 -21.004 0.55 18.81 C ANISOU 1004 CA ASER A 123 3515 2236 1395 49 180 -226 C ATOM 1005 C ASER A 123 -9.691 -25.168 -21.812 0.55 19.63 C ANISOU 1005 C ASER A 123 3729 2226 1503 13 83 -323 C ATOM 1006 O ASER A 123 -10.427 -26.027 -21.323 0.55 20.79 O ANISOU 1006 O ASER A 123 3917 2169 1812 49 44 -372 O ATOM 1007 CB ASER A 123 -7.227 -25.090 -21.401 0.55 27.71 C ANISOU 1007 CB ASER A 123 4611 3522 2395 167 298 -336 C ATOM 1008 OG ASER A 123 -6.175 -24.377 -20.777 0.55 25.04 O ANISOU 1008 OG ASER A 123 4149 3333 2030 179 382 -259 O ATOM 1009 N BSER A 123 -8.848 -24.737 -19.600 0.45 17.53 N ANISOU 1009 N BSER A 123 3310 1924 1427 107 177 -162 N ATOM 1010 CA BSER A 123 -8.560 -24.511 -21.010 0.45 18.83 C ANISOU 1010 CA BSER A 123 3516 2241 1395 51 182 -228 C ATOM 1011 C BSER A 123 -9.505 -25.313 -21.898 0.45 21.94 C ANISOU 1011 C BSER A 123 4022 2535 1777 33 100 -348 C ATOM 1012 O BSER A 123 -9.934 -26.418 -21.553 0.45 20.80 O ANISOU 1012 O BSER A 123 3924 2210 1768 103 90 -440 O ATOM 1013 CB BSER A 123 -7.113 -24.894 -21.324 0.45 27.45 C ANISOU 1013 CB BSER A 123 4561 3514 2357 158 306 -315 C ATOM 1014 OG BSER A 123 -6.859 -26.241 -20.971 0.45 26.53 O ANISOU 1014 OG BSER A 123 4469 3293 2317 316 353 -429 O ATOM 1015 N SER A 124 -9.807 -24.752 -23.068 1.00 20.69 N ANISOU 1015 N SER A 124 3901 2505 1455 -60 49 -350 N ATOM 1016 CA SER A 124 -10.802 -25.320 -23.963 1.00 21.83 C ANISOU 1016 CA SER A 124 4129 2602 1561 -99 -50 -469 C ATOM 1017 C SER A 124 -10.243 -26.521 -24.714 1.00 30.01 C ANISOU 1017 C SER A 124 5213 3678 2510 -1 2 -696 C ATOM 1018 O SER A 124 -9.029 -26.689 -24.864 1.00 31.19 O ANISOU 1018 O SER A 124 5333 3957 2560 89 115 -738 O ATOM 1019 CB SER A 124 -11.311 -24.279 -24.967 1.00 24.70 C ANISOU 1019 CB SER A 124 4503 3129 1751 -208 -122 -380 C ATOM 1020 OG SER A 124 -11.695 -23.089 -24.310 1.00 25.08 O ANISOU 1020 OG SER A 124 4507 3139 1881 -288 -147 -166 O ATOM 1021 N ALA A 125 -11.156 -27.364 -25.186 1.00 36.32 N ANISOU 1021 N ALA A 125 6080 4365 3355 -22 -78 -855 N ATOM 1022 CA ALA A 125 -10.801 -28.497 -26.023 1.00 45.00 C ANISOU 1022 CA ALA A 125 7233 5488 4376 53 -41 -1107 C ATOM 1023 C ALA A 125 -10.808 -28.066 -27.483 1.00 50.01 C ANISOU 1023 C ALA A 125 7882 6396 4724 4 -88 -1178 C ATOM 1024 O ALA A 125 -11.507 -27.124 -27.869 1.00 47.14 O ANISOU 1024 O ALA A 125 7504 6139 4267 -98 -182 -1054 O ATOM 1025 CB ALA A 125 -11.786 -29.648 -25.816 1.00 49.28 C ANISOU 1025 CB ALA A 125 7831 5763 5127 42 -95 -1272 C ATOM 1026 N ALA A 126 -10.015 -28.761 -28.293 1.00 52.37 N ANISOU 1026 N ALA A 126 8206 6820 4874 94 -16 -1372 N ATOM 1027 CA ALA A 126 -9.884 -28.398 -29.696 1.00 51.51 C ANISOU 1027 CA ALA A 126 8068 7016 4488 69 -40 -1429 C ATOM 1028 C ALA A 126 -11.226 -28.522 -30.410 1.00 55.29 C ANISOU 1028 C ALA A 126 8553 7513 4943 -29 -192 -1530 C ATOM 1029 O ALA A 126 -12.040 -29.398 -30.104 1.00 54.64 O ANISOU 1029 O ALA A 126 8500 7206 5054 -57 -251 -1683 O ATOM 1030 CB ALA A 126 -8.845 -29.289 -30.375 1.00 50.05 C ANISOU 1030 CB ALA A 126 7852 6938 4225 161 78 -1618 C ATOM 1031 N ALA A 127 -11.453 -27.622 -31.365 1.00 55.56 N ANISOU 1031 N ALA A 127 8533 7827 4748 -77 -247 -1432 N ATOM 1032 CA ALA A 127 -12.682 -27.599 -32.158 1.00 55.12 C ANISOU 1032 CA ALA A 127 8449 7874 4621 -152 -392 -1510 C ATOM 1033 C ALA A 127 -12.549 -26.634 -33.333 1.00 54.77 C ANISOU 1033 C ALA A 127 8482 8027 4300 -126 -420 -1318 C ATOM 1034 O ALA A 127 -11.634 -26.751 -34.147 1.00 59.23 O ANISOU 1034 O ALA A 127 9065 8740 4701 -91 -323 -1351 O ATOM 1035 CB ALA A 127 -13.876 -27.209 -31.292 1.00 55.54 C ANISOU 1035 CB ALA A 127 8534 7707 4863 -238 -509 -1378 C TER 1036 ALA A 127 HETATM 1036 O HOH B 1 -5.667 -30.542 4.156 1.00 26.08 O HETATM 1037 O HOH B 2 -4.984 -28.143 5.821 1.00 24.16 O HETATM 1038 O HOH B 3 -4.853 -20.293 8.010 1.00 20.60 O HETATM 1039 O HOH B 4 -18.900 -15.308 -11.260 1.00 18.45 O HETATM 1040 O HOH B 5 -18.079 -17.584 -17.358 1.00 19.76 O HETATM 1041 O HOH B 7 -15.526 -18.561 -16.831 1.00 12.97 O HETATM 1042 O HOH B 8 -10.890 -11.186 5.626 1.00 24.97 O HETATM 1043 O HOH B 10 -3.898 -20.177 -9.078 1.00 26.70 O HETATM 1044 O HOH B 12 -11.298 -11.187 13.945 1.00 19.52 O HETATM 1045 O HOH B 14 -8.304 -14.566 16.293 1.00 20.73 O HETATM 1046 O HOH B 15 -7.830 -14.484 5.587 1.00 22.08 O HETATM 1047 O HOH B 16 -4.766 -24.285 2.218 1.00 19.87 O HETATM 1048 O HOH B 17 -3.746 -27.754 -1.486 1.00 31.47 O HETATM 1049 O HOH B 18 -6.041 -28.859 -2.177 1.00 21.90 O HETATM 1050 O HOH B 19 -5.978 -29.019 -6.746 1.00 26.81 O HETATM 1051 O HOH B 20 -1.356 -23.812 -12.739 1.00 27.10 O HETATM 1052 O HOH B 21 -0.535 -23.376 -9.989 1.00 41.52 O HETATM 1053 O HOH B 22 -4.548 -20.558 -13.733 1.00 24.05 O HETATM 1054 O HOH B 23 -5.555 -23.678 -18.305 1.00 26.35 O HETATM 1055 O HOH B 24 -7.247 -32.998 -14.068 1.00 20.88 O HETATM 1056 O HOH B 25 -12.728 -34.736 -13.963 1.00 15.03 O HETATM 1057 O HOH B 29 -17.953 -36.299 -10.023 1.00 31.10 O HETATM 1058 O HOH B 32 -12.664 -34.455 -2.278 1.00 17.02 O HETATM 1059 O HOH B 33 -14.684 -32.468 -1.028 1.00 18.95 O HETATM 1060 O HOH B 36 -7.241 -35.595 9.202 1.00 27.36 O HETATM 1061 O HOH B 37 -9.009 -21.780 13.789 1.00 22.88 O HETATM 1062 O HOH B 38 -13.396 -27.039 9.293 1.00 22.84 O HETATM 1063 O HOH B 39 -10.915 -19.490 19.855 1.00 22.23 O HETATM 1064 O HOH B 42 -21.295 -25.603 15.933 1.00 26.83 O HETATM 1065 O HOH B 43 -22.904 -20.588 4.429 1.00 19.22 O HETATM 1066 O HOH B 44 -12.357 -13.831 -13.118 1.00 23.58 O HETATM 1067 O HOH B 45 -10.607 -15.633 -13.759 1.00 21.16 O HETATM 1068 O HOH B 48 -6.448 -13.884 -11.250 1.00 38.67 O HETATM 1069 O HOH B 49 -4.223 -17.668 -7.771 1.00 28.66 O HETATM 1070 O HOH B 50 -12.515 -11.353 -8.307 1.00 39.97 O HETATM 1071 O HOH B 52 -21.017 -31.215 -1.354 1.00 16.45 O HETATM 1072 O HOH B 53 -26.636 -29.835 4.813 1.00 24.23 O HETATM 1073 O HOH B 55 -27.044 -28.674 -4.518 1.00 31.66 O HETATM 1074 O HOH B 56 -25.846 -29.977 -2.660 1.00 24.20 O HETATM 1075 O HOH B 59 -17.220 -33.075 5.292 1.00 19.99 O HETATM 1076 O HOH B 63 -20.013 -32.383 3.050 1.00 28.67 O HETATM 1077 O HOH B 66 -17.685 -21.967 -21.907 1.00 19.08 O HETATM 1078 O HOH B 69 -19.033 -13.512 11.572 1.00 19.20 O HETATM 1079 O HOH B 70 -22.208 -14.457 11.143 1.00 18.78 O HETATM 1080 O HOH B 71 -20.079 -12.237 14.043 1.00 14.31 O HETATM 1081 O HOH B 72 -4.388 -17.151 11.983 1.00 25.83 O HETATM 1082 O HOH B 73 -3.097 -22.102 8.086 1.00 38.71 O HETATM 1083 O HOH B 74 -6.318 -23.985 12.604 1.00 39.04 O HETATM 1084 O HOH B 75 -6.155 -24.780 9.721 1.00 30.71 O HETATM 1085 O HOH B 76 -5.669 -21.319 15.065 1.00 33.15 O HETATM 1086 O HOH B 77 -2.388 -22.046 -7.698 1.00 36.65 O HETATM 1087 O HOH B 79 -2.904 -19.991 -11.968 1.00 35.31 O HETATM 1088 O HOH B 80 -3.402 -26.783 -11.465 1.00 32.03 O HETATM 1089 O HOH B 81 -5.689 -31.066 -16.746 1.00 33.52 O HETATM 1090 O HOH B 82 -7.174 -34.784 -16.255 1.00 29.92 O HETATM 1091 O HOH B 86 -5.001 -29.215 1.935 1.00 27.73 O HETATM 1092 O HOH B 87 -5.742 -31.404 -2.242 1.00 37.76 O HETATM 1093 O HOH B 90 -15.316 -23.349 15.618 1.00 24.87 O HETATM 1094 O HOH B 91 -11.342 -23.234 13.883 1.00 28.05 O HETATM 1095 O HOH B 92 -13.283 -27.513 12.182 1.00 28.82 O HETATM 1096 O HOH B 94 -21.182 -30.270 9.771 1.00 36.18 O HETATM 1097 O HOH B 95 -19.734 -18.087 -12.784 1.00 31.85 O HETATM 1098 O HOH B 97 -19.760 -18.334 -19.241 1.00 24.72 O HETATM 1099 O HOH B 98 -24.462 -16.294 -4.627 1.00 26.76 O HETATM 1100 O HOH B 99 -27.284 -14.968 -2.773 1.00 25.66 O HETATM 1101 O HOH B 102 -12.689 -10.602 -1.271 1.00 31.10 O HETATM 1102 O HOH B 103 -9.996 -11.487 -0.674 1.00 32.03 O HETATM 1103 O HOH B 110 -26.906 -32.167 3.299 1.00 37.04 O HETATM 1104 O HOH B 111 -20.982 -33.120 0.655 1.00 38.36 O HETATM 1105 O HOH B 114 -6.163 -37.389 7.137 1.00 30.66 O HETATM 1106 O HOH B 115 -11.068 -34.544 0.000 1.00 21.09 O HETATM 1107 O HOH B 117 -20.350 -23.535 -14.394 1.00 30.66 O HETATM 1108 O HOH B 118 -6.989 -12.854 -6.020 1.00 34.34 O HETATM 1109 O HOH B 119 -8.698 -11.181 -5.931 1.00 34.71 O HETATM 1110 O HOH B 120 -23.630 -13.875 13.346 1.00 31.82 O HETATM 1111 O HOH B 121 -23.642 -13.565 8.776 1.00 23.13 O HETATM 1112 O HOH B 123 -30.966 -18.962 9.631 1.00 28.03 O HETATM 1113 O HOH B 128 -28.271 -14.381 5.998 1.00 36.60 O HETATM 1114 O HOH B 129 -23.663 -12.568 -3.048 1.00 28.94 O HETATM 1115 O HOH B 130 -19.899 -8.694 0.016 1.00 35.25 O HETATM 1116 O HOH B 132 -5.697 -17.376 -16.329 1.00 35.91 O HETATM 1117 O HOH B 141 -26.601 -31.387 7.422 1.00 28.37 O HETATM 1118 O HOH B 142 -8.977 -11.328 12.470 1.00 23.67 O HETATM 1119 O HOH B 143 -6.721 -18.392 17.950 1.00 37.53 O HETATM 1120 O HOH B 146 -9.554 -13.065 7.403 1.00 33.46 O HETATM 1121 O HOH B 148 -4.371 -20.954 -3.913 1.00 34.88 O HETATM 1122 O HOH B 149 -1.518 -24.257 -4.285 1.00 34.03 O HETATM 1123 O HOH B 150 -2.212 -26.034 -7.324 1.00 38.27 O HETATM 1124 O HOH B 151 -3.891 -21.673 -18.279 1.00 33.04 O HETATM 1125 O HOH B 152 -5.653 -31.143 -11.967 1.00 33.95 O HETATM 1126 O HOH B 154 -12.373 -21.930 17.408 1.00 33.68 O HETATM 1127 O HOH B 155 -21.674 -23.003 20.334 1.00 37.80 O HETATM 1128 O HOH B 156 -19.480 -18.197 -15.343 1.00 38.67 O HETATM 1129 O HOH B 162 -15.098 -28.299 14.083 1.00 40.93 O HETATM 1130 O HOH B 163 -17.132 -33.021 -7.186 1.00 20.46 O HETATM 1131 O HOH B 166 -3.656 -24.321 9.822 1.00 42.04 O HETATM 1132 O HOH B 171 -18.545 -9.447 2.537 1.00 35.17 O HETATM 1133 O HOH B 173 -8.308 -28.440 -22.689 1.00 37.54 O HETATM 1135 O HOH B 179 -14.376 -35.474 -17.410 1.00 39.15 O HETATM 1136 O HOH B 181 -18.380 -29.365 13.934 1.00 44.19 O HETATM 1137 O HOH B 182 -19.167 -30.816 11.262 1.00 32.22 O HETATM 1138 O HOH B 183 -26.870 -16.828 -9.862 1.00 30.10 O HETATM 1139 O HOH B 185 -24.662 -19.336 -7.059 1.00 22.02 O HETATM 1140 O HOH B 186 -26.727 -18.413 -5.419 1.00 21.69 O HETATM 1141 O HOH B 187 -28.016 -16.850 -7.310 1.00 23.60 O HETATM 1142 O HOH B 193 -14.227 -9.186 0.218 1.00 40.48 O HETATM 1143 O HOH B 196 -26.664 -12.558 -2.621 1.00 37.84 O HETATM 1144 O HOH B 199 -6.838 -33.228 -18.191 1.00 38.95 O HETATM 1145 O HOH B 204 -12.966 -23.977 18.413 1.00 42.78 O HETATM 1146 O HOH B 206 -18.741 -18.355 19.550 1.00 19.50 O HETATM 1147 O HOH B 213 -26.638 -29.202 -10.893 1.00 43.13 O HETATM 1148 O HOH B 220 -8.975 -14.990 -15.820 1.00 20.78 O HETATM 1149 O HOH B 221 -11.967 -9.596 7.787 1.00 38.69 O HETATM 1150 O HOH B 229 -3.707 -22.459 -5.626 1.00 38.09 O HETATM 1151 O HOH B 230 -16.867 -19.495 -13.320 1.00 26.60 O HETATM 1152 O HOH B 236 -21.202 -18.529 17.913 1.00 29.44 O HETATM 1153 O HOH B 237 -22.467 -29.807 -8.563 1.00 24.06 O HETATM 1155 O HOH B 239 -8.604 -34.324 4.754 1.00 28.55 O HETATM 1156 O HOH B 243 -6.263 -34.143 -11.458 1.00 40.47 O HETATM 1157 O HOH B 246 -4.872 -31.491 -14.583 1.00 39.09 O HETATM 1158 O HOH B 249 -19.001 -31.965 7.521 1.00 22.83 O HETATM 1160 O HOH B 251 -11.998 -37.145 -15.428 1.00 30.28 O HETATM 1161 O HOH B 252 -8.635 -20.724 17.342 1.00 40.46 O HETATM 1162 O HOH B 253 -9.266 -22.375 19.222 1.00 36.80 O TER 1161 HOH B 254 END