HEADER ---- 24-MAY-21 xxxx TITLE --- COMPND --- REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0267 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.95 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.68 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 99.70 REMARK 3 NUMBER OF REFLECTIONS : 14280 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.17189 REMARK 3 R VALUE (WORKING SET) : 0.17030 REMARK 3 FREE R VALUE : 0.20196 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.2 REMARK 3 FREE R VALUE TEST SET COUNT : 790 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH : 1.950 REMARK 3 BIN RESOLUTION RANGE LOW : 2.001 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1042 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.277 REMARK 3 BIN FREE R VALUE SET COUNT : 50 REMARK 3 BIN FREE R VALUE : 0.289 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 ALL ATOMS : 1044 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 48.683 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00 REMARK 3 B22 (A**2) : 0.00 REMARK 3 B33 (A**2) : 0.00 REMARK 3 B12 (A**2) : 0.00 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : 0.00 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.109 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.109 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.082 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.990 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.974 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.960 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 964 ; 0.005 ; 0.013 REMARK 3 BOND LENGTHS OTHERS (A): 882 ; 0.001 ; 0.017 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1307 ; 1.335 ; 1.646 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2041 ; 1.251 ; 1.579 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 127 ; 6.327 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;33.277 ;24.857 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 147 ;12.917 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 1 ; 4.297 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 130 ; 0.054 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1108 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 209 ; 0.001 ; 0.020 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 502 ; 2.839 ; 4.996 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 501 ; 2.836 ; 4.988 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 628 ; 4.115 ; 7.468 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 629 ; 4.112 ; 7.477 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 461 ; 3.339 ; 5.340 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 462 ; 3.335 ; 5.343 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 679 ; 5.041 ; 7.845 REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 1074 ; 6.317 ;59.534 REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 1050 ; 6.239 ;58.980 REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 TWIN DETAILS REMARK 3 NUMBER OF TWIN DOMAINS : NULL REMARK 3 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS REMARK 3 U VALUES : REFINED INDIVIDUALLY REMARK 3 CRYST1 107.236 107.236 107.236 90.00 90.00 90.00 I 21 3 SCALE1 0.009325 0.000000 0.000000 0.00000 SCALE2 -0.000000 0.009325 0.000000 0.00000 SCALE3 0.000000 -0.000000 0.009325 0.00000 ATOM 1 N THR A 7 0.792 106.740 36.820 1.00 68.32 N ATOM 2 CA THR A 7 1.894 106.136 35.990 1.00 72.58 C ATOM 3 CB THR A 7 2.452 107.182 35.012 1.00 86.29 C ATOM 4 OG1 THR A 7 1.824 106.962 33.745 1.00 93.35 O ATOM 5 CG2 THR A 7 3.960 107.149 34.853 1.00 94.04 C ATOM 6 C THR A 7 2.923 105.508 36.944 1.00 62.84 C ATOM 7 O THR A 7 3.562 106.255 37.708 1.00 60.81 O ATOM 8 N MET A 8 3.073 104.184 36.905 1.00 56.93 N ATOM 9 CA MET A 8 3.869 103.415 37.902 1.00 58.30 C ATOM 10 CB MET A 8 3.390 101.971 37.950 1.00 62.51 C ATOM 11 CG MET A 8 1.912 101.886 38.013 1.00 64.60 C ATOM 12 SD MET A 8 1.462 100.597 39.143 1.00 68.24 S ATOM 13 CE MET A 8 -0.231 100.324 38.617 1.00 69.85 C ATOM 14 C MET A 8 5.354 103.409 37.538 1.00 51.25 C ATOM 15 O MET A 8 6.177 103.126 38.429 1.00 50.73 O ATOM 16 N GLY A 9 5.670 103.646 36.264 1.00 46.56 N ATOM 17 CA GLY A 9 7.052 103.667 35.754 1.00 46.04 C ATOM 18 C GLY A 9 7.434 102.339 35.122 1.00 41.19 C ATOM 19 O GLY A 9 6.967 101.288 35.594 1.00 41.31 O ATOM 20 N ASN A 10 8.273 102.396 34.094 1.00 39.69 N ATOM 21 CA ASN A 10 8.749 101.209 33.337 1.00 39.17 C ATOM 22 CB ASN A 10 9.676 101.628 32.199 1.00 39.20 C ATOM 23 CG ASN A 10 8.924 102.334 31.094 1.00 41.60 C ATOM 24 OD1 ASN A 10 7.773 102.002 30.810 1.00 40.78 O ATOM 25 ND2 ASN A 10 9.575 103.293 30.461 1.00 43.06 N ATOM 26 C ASN A 10 9.437 100.199 34.265 1.00 37.41 C ATOM 27 O ASN A 10 9.127 99.032 34.150 1.00 39.29 O ATOM 28 N SER A 11 10.357 100.621 35.135 1.00 40.64 N ATOM 29 CA SER A 11 11.135 99.702 36.017 1.00 39.17 C ATOM 30 CB SER A 11 12.230 100.419 36.762 1.00 40.98 C ATOM 31 OG SER A 11 13.254 100.820 35.864 1.00 41.86 O ATOM 32 C SER A 11 10.195 98.960 36.976 1.00 41.35 C ATOM 33 O SER A 11 10.397 97.759 37.159 1.00 40.27 O ATOM 34 N THR A 12 9.187 99.633 37.541 1.00 38.97 N ATOM 35 CA THR A 12 8.192 98.988 38.433 1.00 38.97 C ATOM 36 CB THR A 12 7.271 100.036 39.070 1.00 39.99 C ATOM 37 OG1 THR A 12 8.084 100.922 39.836 1.00 41.71 O ATOM 38 CG2 THR A 12 6.222 99.428 39.972 1.00 41.30 C ATOM 39 C THR A 12 7.413 97.910 37.665 1.00 37.77 C ATOM 40 O THR A 12 7.275 96.790 38.189 1.00 37.24 O ATOM 41 N VAL A 13 6.904 98.227 36.477 1.00 38.83 N ATOM 42 CA VAL A 13 6.082 97.275 35.676 1.00 38.91 C ATOM 43 CB VAL A 13 5.437 97.978 34.475 1.00 38.75 C ATOM 44 CG1 VAL A 13 4.644 96.995 33.626 1.00 39.66 C ATOM 45 CG2 VAL A 13 4.539 99.126 34.922 1.00 45.14 C ATOM 46 C VAL A 13 6.960 96.089 35.243 1.00 37.85 C ATOM 47 O VAL A 13 6.527 94.939 35.409 1.00 38.01 O ATOM 48 N LEU A 14 8.149 96.357 34.703 1.00 37.56 N ATOM 49 CA LEU A 14 9.040 95.297 34.158 1.00 39.68 C ATOM 50 CB LEU A 14 10.225 95.938 33.429 1.00 37.66 C ATOM 51 CG LEU A 14 9.870 96.596 32.093 1.00 39.60 C ATOM 52 CD1 LEU A 14 11.009 97.459 31.579 1.00 40.27 C ATOM 53 CD2 LEU A 14 9.477 95.562 31.051 1.00 42.99 C ATOM 54 C LEU A 14 9.493 94.366 35.288 1.00 41.17 C ATOM 55 O LEU A 14 9.536 93.141 35.061 1.00 40.66 O ATOM 56 N SER A 15 9.810 94.910 36.464 1.00 39.83 N ATOM 57 CA SER A 15 10.196 94.100 37.649 1.00 39.04 C ATOM 58 CB SER A 15 10.605 94.985 38.790 1.00 39.04 C ATOM 59 OG SER A 15 10.938 94.200 39.921 1.00 42.67 O ATOM 60 C SER A 15 9.042 93.167 38.035 1.00 40.94 C ATOM 61 O SER A 15 9.262 91.969 38.271 1.00 42.34 O ATOM 62 N PHE A 16 7.827 93.696 38.089 1.00 42.06 N ATOM 63 CA PHE A 16 6.631 92.916 38.477 1.00 39.77 C ATOM 64 CB PHE A 16 5.420 93.843 38.491 1.00 39.22 C ATOM 65 CG PHE A 16 4.141 93.149 38.846 1.00 42.03 C ATOM 66 CD1 PHE A 16 3.833 92.889 40.172 1.00 45.31 C ATOM 67 CE1 PHE A 16 2.648 92.254 40.504 1.00 47.28 C ATOM 68 CZ PHE A 16 1.765 91.892 39.514 1.00 45.58 C ATOM 69 CD2 PHE A 16 3.255 92.758 37.857 1.00 43.95 C ATOM 70 CE2 PHE A 16 2.067 92.134 38.196 1.00 46.85 C ATOM 71 C PHE A 16 6.476 91.730 37.516 1.00 39.39 C ATOM 72 O PHE A 16 6.292 90.593 37.974 1.00 36.94 O ATOM 73 N CYS A 17 6.571 91.983 36.208 1.00 39.51 N ATOM 74 CA CYS A 17 6.424 90.940 35.158 1.00 41.46 C ATOM 75 CB CYS A 17 6.252 91.560 33.779 1.00 43.24 C ATOM 76 SG CYS A 17 4.777 92.603 33.679 1.00 44.92 S ATOM 77 C CYS A 17 7.615 89.964 35.180 1.00 40.97 C ATOM 78 O CYS A 17 7.368 88.767 35.030 1.00 40.74 O ATOM 79 N ALA A 18 8.845 90.453 35.370 1.00 37.55 N ATOM 80 CA ALA A 18 10.090 89.662 35.237 1.00 40.65 C ATOM 81 CB ALA A 18 11.317 90.528 35.419 1.00 38.78 C ATOM 82 C ALA A 18 10.082 88.514 36.247 1.00 41.44 C ATOM 83 O ALA A 18 10.554 87.417 35.879 1.00 41.33 O ATOM 84 N PHE A 19 9.600 88.761 37.472 1.00 36.96 N ATOM 85 CA PHE A 19 9.698 87.801 38.605 1.00 38.55 C ATOM 86 CB PHE A 19 10.109 88.521 39.890 1.00 38.51 C ATOM 87 CG PHE A 19 11.496 89.120 39.844 1.00 38.03 C ATOM 88 CD1 PHE A 19 12.620 88.308 39.872 1.00 37.94 C ATOM 89 CE1 PHE A 19 13.892 88.857 39.821 1.00 39.61 C ATOM 90 CZ PHE A 19 14.061 90.226 39.755 1.00 39.66 C ATOM 91 CD2 PHE A 19 11.680 90.496 39.763 1.00 38.55 C ATOM 92 CE2 PHE A 19 12.955 91.045 39.717 1.00 41.07 C ATOM 93 C PHE A 19 8.407 86.990 38.740 1.00 39.95 C ATOM 94 O PHE A 19 8.368 86.066 39.577 1.00 42.04 O ATOM 95 N ALA A 20 7.400 87.286 37.921 1.00 40.45 N ATOM 96 CA ALA A 20 6.144 86.512 37.859 1.00 42.46 C ATOM 97 CB ALA A 20 5.108 87.270 37.061 1.00 45.72 C ATOM 98 C ALA A 20 6.447 85.147 37.237 1.00 44.24 C ATOM 99 O ALA A 20 7.319 85.073 36.358 1.00 49.53 O ATOM 100 N VAL A 21 5.741 84.099 37.647 1.00 45.88 N ATOM 101 CA VAL A 21 5.942 82.736 37.070 1.00 46.95 C ATOM 102 CB VAL A 21 5.141 81.674 37.847 1.00 51.95 C ATOM 103 CG1 VAL A 21 4.983 80.373 37.064 1.00 57.16 C ATOM 104 CG2 VAL A 21 5.779 81.406 39.199 1.00 48.11 C ATOM 105 C VAL A 21 5.593 82.786 35.574 1.00 48.37 C ATOM 106 O VAL A 21 6.284 82.109 34.800 1.00 46.34 O ATOM 107 N ASP A 22 4.594 83.593 35.190 1.00 47.32 N ATOM 108 CA ASP A 22 4.153 83.821 33.786 1.00 47.52 C ATOM 109 CB ASP A 22 2.740 83.272 33.571 1.00 49.13 C ATOM 110 CG ASP A 22 2.251 83.315 32.129 1.00 51.37 C ATOM 111 OD1 ASP A 22 2.804 84.099 31.329 1.00 48.03 O ATOM 112 OD2 ASP A 22 1.310 82.555 31.820 1.00 57.17 O ATOM 113 C ASP A 22 4.218 85.325 33.473 1.00 45.30 C ATOM 114 O ASP A 22 3.247 86.035 33.779 1.00 43.97 O ATOM 115 N ALA A 23 5.317 85.784 32.873 1.00 43.63 N ATOM 116 CA ALA A 23 5.603 87.211 32.602 1.00 43.37 C ATOM 117 CB ALA A 23 6.997 87.349 32.060 1.00 44.99 C ATOM 118 C ALA A 23 4.566 87.787 31.631 1.00 42.42 C ATOM 119 O ALA A 23 4.087 88.898 31.891 1.00 43.88 O ATOM 120 N ALA A 24 4.256 87.064 30.551 1.00 41.76 N ATOM 121 CA ALA A 24 3.278 87.470 29.511 1.00 44.22 C ATOM 122 CB ALA A 24 3.172 86.408 28.441 1.00 46.36 C ATOM 123 C ALA A 24 1.915 87.731 30.155 1.00 43.11 C ATOM 124 O ALA A 24 1.324 88.780 29.891 1.00 41.83 O ATOM 125 N LYS A 25 1.442 86.811 30.993 1.00 46.57 N ATOM 126 CA LYS A 25 0.112 86.920 31.638 1.00 47.67 C ATOM 127 CB LYS A 25 -0.258 85.623 32.362 1.00 51.26 C ATOM 128 CG LYS A 25 -1.676 85.586 32.916 1.00 55.12 C ATOM 129 CD LYS A 25 -2.037 84.236 33.530 1.00 60.65 C ATOM 130 CE LYS A 25 -3.488 84.134 33.956 1.00 63.21 C ATOM 131 NZ LYS A 25 -3.846 85.182 34.942 1.00 63.72 N ATOM 132 C LYS A 25 0.121 88.108 32.605 1.00 46.61 C ATOM 133 O LYS A 25 -0.897 88.835 32.650 1.00 44.06 O ATOM 134 N ALA A 26 1.227 88.318 33.326 1.00 43.12 N ATOM 135 CA ALA A 26 1.385 89.466 34.250 1.00 43.00 C ATOM 136 CB ALA A 26 2.714 89.409 34.956 1.00 45.89 C ATOM 137 C ALA A 26 1.187 90.775 33.472 1.00 39.86 C ATOM 138 O ALA A 26 0.402 91.623 33.930 1.00 43.27 O ATOM 139 N TYR A 27 1.838 90.947 32.327 1.00 40.43 N ATOM 140 CA TYR A 27 1.721 92.202 31.540 1.00 41.03 C ATOM 141 CB TYR A 27 2.789 92.318 30.447 1.00 43.25 C ATOM 142 CG TYR A 27 2.819 93.673 29.782 1.00 40.47 C ATOM 143 CD1 TYR A 27 2.920 94.835 30.529 1.00 42.21 C ATOM 144 CE1 TYR A 27 2.936 96.084 29.932 1.00 42.32 C ATOM 145 CZ TYR A 27 2.864 96.197 28.556 1.00 43.32 C ATOM 146 OH TYR A 27 2.901 97.430 27.971 1.00 41.03 O ATOM 147 CE2 TYR A 27 2.785 95.048 27.789 1.00 41.88 C ATOM 148 CD2 TYR A 27 2.754 93.805 28.403 1.00 43.38 C ATOM 149 C TYR A 27 0.305 92.330 30.961 1.00 45.43 C ATOM 150 O TYR A 27 -0.249 93.450 30.994 1.00 41.86 O ATOM 151 N LYS A 28 -0.280 91.241 30.451 1.00 44.11 N ATOM 152 CA LYS A 28 -1.639 91.298 29.845 1.00 45.53 C ATOM 153 CB LYS A 28 -1.992 89.978 29.160 1.00 46.99 C ATOM 154 CG LYS A 28 -1.232 89.713 27.871 1.00 49.46 C ATOM 155 CD LYS A 28 -1.395 88.282 27.397 1.00 55.36 C ATOM 156 CE LYS A 28 -0.448 87.907 26.283 1.00 59.08 C ATOM 157 NZ LYS A 28 -0.409 86.439 26.085 1.00 65.99 N ATOM 158 C LYS A 28 -2.680 91.663 30.911 1.00 44.08 C ATOM 159 O LYS A 28 -3.567 92.492 30.605 1.00 42.41 O ATOM 160 N ASP A 29 -2.576 91.082 32.109 1.00 42.68 N ATOM 161 CA ASP A 29 -3.509 91.350 33.235 1.00 45.86 C ATOM 162 CB ASP A 29 -3.320 90.329 34.365 1.00 49.46 C ATOM 163 CG ASP A 29 -3.782 88.919 34.028 1.00 50.42 C ATOM 164 OD1 ASP A 29 -4.488 88.752 33.013 1.00 54.50 O ATOM 165 OD2 ASP A 29 -3.421 88.001 34.775 1.00 50.15 O ATOM 166 C ASP A 29 -3.326 92.806 33.691 1.00 47.33 C ATOM 167 O ASP A 29 -4.332 93.463 34.008 1.00 43.65 O ATOM 168 N TYR A 30 -2.087 93.306 33.715 1.00 46.40 N ATOM 169 CA TYR A 30 -1.762 94.722 34.040 1.00 44.52 C ATOM 170 CB TYR A 30 -0.246 94.936 34.058 1.00 42.00 C ATOM 171 CG TYR A 30 0.201 96.372 34.047 1.00 43.81 C ATOM 172 CD1 TYR A 30 0.196 97.141 35.203 1.00 46.36 C ATOM 173 CE1 TYR A 30 0.642 98.453 35.198 1.00 46.34 C ATOM 174 CZ TYR A 30 1.078 99.022 34.015 1.00 45.72 C ATOM 175 OH TYR A 30 1.488 100.317 33.973 1.00 45.77 O ATOM 176 CE2 TYR A 30 1.090 98.269 32.854 1.00 44.88 C ATOM 177 CD2 TYR A 30 0.667 96.953 32.884 1.00 44.90 C ATOM 178 C TYR A 30 -2.469 95.660 33.044 1.00 44.89 C ATOM 179 O TYR A 30 -3.120 96.615 33.483 1.00 45.05 O ATOM 180 N LEU A 31 -2.343 95.408 31.741 1.00 44.30 N ATOM 181 CA LEU A 31 -2.987 96.247 30.690 1.00 46.66 C ATOM 182 CB LEU A 31 -2.584 95.732 29.309 1.00 45.47 C ATOM 183 CG LEU A 31 -1.126 95.942 28.921 1.00 44.34 C ATOM 184 CD1 LEU A 31 -0.830 95.232 27.611 1.00 43.96 C ATOM 185 CD2 LEU A 31 -0.789 97.419 28.838 1.00 47.56 C ATOM 186 C LEU A 31 -4.515 96.213 30.835 1.00 46.47 C ATOM 187 O LEU A 31 -5.146 97.284 30.709 1.00 46.84 O ATOM 188 N ALA A 32 -5.085 95.025 31.039 1.00 48.03 N ATOM 189 CA ALA A 32 -6.541 94.813 31.185 1.00 50.22 C ATOM 190 CB ALA A 32 -6.852 93.341 31.280 1.00 51.04 C ATOM 191 C ALA A 32 -7.059 95.584 32.408 1.00 51.61 C ATOM 192 O ALA A 32 -8.206 96.002 32.367 1.00 48.59 O ATOM 193 N SER A 33 -6.227 95.813 33.431 1.00 50.68 N ATOM 194 CA SER A 33 -6.592 96.525 34.684 1.00 47.43 C ATOM 195 CB SER A 33 -5.662 96.128 35.809 1.00 49.42 C ATOM 196 OG SER A 33 -4.456 96.877 35.760 1.00 46.15 O ATOM 197 C SER A 33 -6.576 98.044 34.487 1.00 47.59 C ATOM 198 O SER A 33 -6.922 98.760 35.446 1.00 47.94 O ATOM 199 N GLY A 34 -6.115 98.515 33.329 1.00 47.37 N ATOM 200 CA GLY A 34 -5.987 99.949 33.009 1.00 48.34 C ATOM 201 C GLY A 34 -4.565 100.463 33.171 1.00 50.83 C ATOM 202 O GLY A 34 -4.374 101.679 33.067 1.00 47.40 O ATOM 203 N GLY A 35 -3.581 99.584 33.372 1.00 48.71 N ATOM 204 CA GLY A 35 -2.171 99.990 33.540 1.00 48.99 C ATOM 205 C GLY A 35 -1.639 100.709 32.309 1.00 47.17 C ATOM 206 O GLY A 35 -1.958 100.291 31.197 1.00 47.54 O ATOM 207 N GLN A 36 -0.864 101.772 32.500 1.00 45.80 N ATOM 208 CA GLN A 36 -0.201 102.517 31.398 1.00 47.20 C ATOM 209 CB GLN A 36 0.454 103.786 31.945 1.00 55.43 C ATOM 210 CG GLN A 36 -0.508 104.964 32.047 1.00 63.47 C ATOM 211 CD GLN A 36 -0.557 105.773 30.770 1.00 73.23 C ATOM 212 OE1 GLN A 36 -1.623 106.061 30.230 1.00 72.40 O ATOM 213 NE2 GLN A 36 0.610 106.144 30.267 1.00 77.53 N ATOM 214 C GLN A 36 0.820 101.599 30.723 1.00 44.67 C ATOM 215 O GLN A 36 1.650 100.996 31.402 1.00 43.43 O ATOM 216 N PRO A 37 0.814 101.487 29.374 1.00 44.89 N ATOM 217 CA PRO A 37 1.815 100.695 28.656 1.00 45.69 C ATOM 218 CB PRO A 37 1.497 100.949 27.177 1.00 44.26 C ATOM 219 CG PRO A 37 0.025 101.307 27.176 1.00 47.63 C ATOM 220 CD PRO A 37 -0.174 102.087 28.458 1.00 47.97 C ATOM 221 C PRO A 37 3.268 101.090 28.949 1.00 42.30 C ATOM 222 O PRO A 37 3.544 102.235 29.254 1.00 46.46 O ATOM 223 N ILE A 38 4.157 100.104 28.838 1.00 44.47 N ATOM 224 CA ILE A 38 5.635 100.279 28.842 1.00 42.00 C ATOM 225 CB ILE A 38 6.323 98.915 28.639 1.00 43.18 C ATOM 226 CG1 ILE A 38 6.097 97.989 29.839 1.00 45.44 C ATOM 227 CG2 ILE A 38 7.804 99.103 28.343 1.00 43.93 C ATOM 228 CD1 ILE A 38 6.302 96.518 29.538 1.00 48.99 C ATOM 229 C ILE A 38 5.992 101.292 27.745 1.00 41.33 C ATOM 230 O ILE A 38 5.474 101.161 26.614 1.00 40.48 O ATOM 231 N THR A 39 6.838 102.267 28.067 1.00 42.58 N ATOM 232 CA THR A 39 7.312 103.325 27.133 1.00 41.20 C ATOM 233 CB THR A 39 7.005 104.724 27.693 1.00 46.23 C ATOM 234 OG1 THR A 39 7.729 104.898 28.912 1.00 44.78 O ATOM 235 CG2 THR A 39 5.526 104.957 27.918 1.00 46.64 C ATOM 236 C THR A 39 8.805 103.138 26.854 1.00 41.87 C ATOM 237 O THR A 39 9.389 102.095 27.259 1.00 40.92 O ATOM 238 N AASN A 40 9.399 104.118 26.166 0.55 40.31 N ATOM 239 N BASN A 40 9.401 104.109 26.156 0.45 40.89 N ATOM 240 CA AASN A 40 10.850 104.182 25.858 0.55 42.55 C ATOM 241 CA BASN A 40 10.857 104.185 25.876 0.45 42.96 C ATOM 242 CB AASN A 40 11.684 104.287 27.143 0.55 44.09 C ATOM 243 CB BASN A 40 11.688 104.100 27.162 0.45 44.37 C ATOM 244 CG AASN A 40 11.442 105.582 27.896 0.55 47.08 C ATOM 245 CG BASN A 40 12.901 105.008 27.154 0.45 48.22 C ATOM 246 OD1AASN A 40 11.024 106.580 27.311 0.55 53.40 O ATOM 247 OD1BASN A 40 13.120 105.759 26.206 0.45 48.26 O ATOM 248 ND2AASN A 40 11.707 105.589 29.191 0.55 48.12 N ATOM 249 ND2BASN A 40 13.694 104.956 28.213 0.45 49.64 N ATOM 250 C AASN A 40 11.206 102.991 24.963 0.55 42.94 C ATOM 251 C BASN A 40 11.238 103.084 24.881 0.45 42.92 C ATOM 252 O AASN A 40 12.303 102.453 25.108 0.55 43.31 O ATOM 253 O BASN A 40 12.417 102.723 24.851 0.45 42.94 O ATOM 254 N CYS A 41 10.286 102.584 24.084 1.00 42.61 N ATOM 255 CA CYS A 41 10.594 101.726 22.914 1.00 44.74 C ATOM 256 CB CYS A 41 9.330 101.117 22.321 1.00 43.63 C ATOM 257 SG CYS A 41 8.380 100.118 23.497 1.00 46.10 S ATOM 258 C CYS A 41 11.345 102.617 21.910 1.00 46.94 C ATOM 259 O CYS A 41 11.111 103.831 21.911 1.00 45.77 O ATOM 260 N VAL A 42 12.264 102.074 21.120 1.00 42.79 N ATOM 261 CA VAL A 42 13.130 102.902 20.237 1.00 46.75 C ATOM 262 CB VAL A 42 14.516 102.272 20.035 1.00 44.37 C ATOM 263 CG1 VAL A 42 15.360 103.084 19.058 1.00 48.26 C ATOM 264 CG2 VAL A 42 15.231 102.102 21.363 1.00 44.36 C ATOM 265 C VAL A 42 12.404 103.129 18.909 1.00 46.70 C ATOM 266 O VAL A 42 12.337 102.195 18.098 1.00 44.38 O ATOM 267 N LYS A 43 11.887 104.338 18.699 1.00 44.21 N ATOM 268 CA LYS A 43 11.122 104.690 17.476 1.00 47.61 C ATOM 269 CB LYS A 43 10.149 105.845 17.725 1.00 52.87 C ATOM 270 CG LYS A 43 9.190 106.112 16.573 1.00 56.97 C ATOM 271 CD LYS A 43 8.081 107.095 16.914 1.00 64.04 C ATOM 272 CE LYS A 43 6.741 106.720 16.305 1.00 70.12 C ATOM 273 NZ LYS A 43 6.774 106.763 14.823 1.00 67.27 N ATOM 274 C LYS A 43 12.122 105.038 16.379 1.00 47.44 C ATOM 275 O LYS A 43 13.062 105.800 16.646 1.00 46.84 O ATOM 276 N MET A 44 11.923 104.501 15.180 1.00 43.37 N ATOM 277 CA MET A 44 12.868 104.692 14.057 1.00 45.94 C ATOM 278 CB MET A 44 13.012 103.412 13.229 1.00 49.75 C ATOM 279 CG MET A 44 13.445 102.209 14.070 1.00 54.06 C ATOM 280 SD MET A 44 14.926 102.522 15.083 1.00 62.38 S ATOM 281 CE MET A 44 16.140 102.635 13.782 1.00 57.87 C ATOM 282 C MET A 44 12.362 105.832 13.173 1.00 45.59 C ATOM 283 O MET A 44 11.132 105.954 12.990 1.00 44.78 O ATOM 284 N LEU A 45 13.295 106.615 12.635 1.00 43.66 N ATOM 285 CA LEU A 45 13.024 107.566 11.535 1.00 47.89 C ATOM 286 CB LEU A 45 14.221 108.509 11.396 1.00 47.26 C ATOM 287 CG LEU A 45 14.140 109.529 10.267 1.00 45.44 C ATOM 288 CD1 LEU A 45 12.903 110.404 10.413 1.00 44.66 C ATOM 289 CD2 LEU A 45 15.409 110.365 10.243 1.00 47.06 C ATOM 290 C LEU A 45 12.786 106.734 10.271 1.00 48.98 C ATOM 291 O LEU A 45 13.667 105.942 9.914 1.00 46.74 O ATOM 292 N CYS A 46 11.611 106.852 9.655 1.00 48.91 N ATOM 293 CA CYS A 46 11.279 106.128 8.399 1.00 50.52 C ATOM 294 CB CYS A 46 10.650 104.773 8.707 1.00 51.52 C ATOM 295 SG CYS A 46 9.103 104.903 9.639 1.00 54.46 S ATOM 296 C CYS A 46 10.353 106.995 7.533 1.00 51.00 C ATOM 297 O CYS A 46 9.811 107.985 8.046 1.00 54.77 O ATOM 298 N THR A 47 10.201 106.628 6.262 1.00 49.53 N ATOM 299 CA THR A 47 9.431 107.382 5.240 1.00 53.28 C ATOM 300 CB THR A 47 10.045 107.177 3.851 1.00 55.08 C ATOM 301 OG1 THR A 47 9.916 105.788 3.554 1.00 52.40 O ATOM 302 CG2 THR A 47 11.496 107.605 3.776 1.00 57.35 C ATOM 303 C THR A 47 7.959 106.948 5.209 1.00 53.98 C ATOM 304 O THR A 47 7.164 107.701 4.611 1.00 58.34 O ATOM 305 N HIS A 48 7.621 105.778 5.779 1.00 49.99 N ATOM 306 CA HIS A 48 6.281 105.126 5.719 1.00 46.88 C ATOM 307 CB HIS A 48 5.206 106.033 6.340 1.00 48.19 C ATOM 308 CG HIS A 48 5.417 106.268 7.795 1.00 48.55 C ATOM 309 ND1 HIS A 48 4.920 105.418 8.751 1.00 47.50 N ATOM 310 CE1 HIS A 48 5.276 105.851 9.948 1.00 51.37 C ATOM 311 NE2 HIS A 48 5.975 106.979 9.793 1.00 48.25 N ATOM 312 CD2 HIS A 48 6.078 107.244 8.457 1.00 50.77 C ATOM 313 C HIS A 48 5.946 104.681 4.280 1.00 47.27 C ATOM 314 O HIS A 48 4.751 104.553 3.967 1.00 49.33 O ATOM 315 N THR A 49 6.958 104.362 3.465 1.00 47.54 N ATOM 316 CA THR A 49 6.803 103.806 2.095 1.00 50.01 C ATOM 317 CB THR A 49 7.491 104.724 1.075 1.00 53.01 C ATOM 318 OG1 THR A 49 8.889 104.775 1.348 1.00 52.91 O ATOM 319 CG2 THR A 49 6.937 106.131 1.096 1.00 52.19 C ATOM 320 C THR A 49 7.343 102.365 2.017 1.00 52.72 C ATOM 321 O THR A 49 7.670 101.928 0.913 1.00 55.01 O ATOM 322 N GLY A 50 7.424 101.636 3.135 1.00 54.33 N ATOM 323 CA GLY A 50 8.015 100.281 3.176 1.00 51.68 C ATOM 324 C GLY A 50 7.025 99.195 2.765 1.00 50.20 C ATOM 325 O GLY A 50 5.865 99.528 2.457 1.00 48.92 O ATOM 326 N THR A 51 7.464 97.934 2.820 1.00 51.95 N ATOM 327 CA THR A 51 6.693 96.709 2.462 1.00 51.06 C ATOM 328 CB THR A 51 7.595 95.467 2.438 1.00 53.06 C ATOM 329 OG1 THR A 51 8.101 95.224 3.754 1.00 51.16 O ATOM 330 CG2 THR A 51 8.751 95.611 1.473 1.00 51.69 C ATOM 331 C THR A 51 5.541 96.485 3.445 1.00 50.03 C ATOM 332 O THR A 51 4.577 95.805 3.074 1.00 48.02 O ATOM 333 N GLY A 52 5.644 96.995 4.674 1.00 46.73 N ATOM 334 CA GLY A 52 4.613 96.778 5.706 1.00 44.83 C ATOM 335 C GLY A 52 4.692 95.397 6.340 1.00 44.08 C ATOM 336 O GLY A 52 3.799 95.053 7.149 1.00 45.92 O ATOM 337 N GLN A 53 5.740 94.630 6.053 1.00 47.82 N ATOM 338 CA GLN A 53 5.968 93.316 6.714 1.00 49.20 C ATOM 339 CB GLN A 53 7.097 92.584 6.004 1.00 51.97 C ATOM 340 CG GLN A 53 6.727 92.224 4.576 1.00 58.83 C ATOM 341 CD GLN A 53 7.412 90.943 4.200 1.00 59.73 C ATOM 342 OE1 GLN A 53 7.019 89.875 4.647 1.00 67.51 O ATOM 343 NE2 GLN A 53 8.476 91.053 3.428 1.00 66.43 N ATOM 344 C GLN A 53 6.269 93.530 8.201 1.00 46.99 C ATOM 345 O GLN A 53 6.732 94.626 8.561 1.00 46.31 O ATOM 346 N ALA A 54 6.019 92.511 9.024 1.00 44.86 N ATOM 347 CA ALA A 54 5.930 92.619 10.494 1.00 46.17 C ATOM 348 CB ALA A 54 5.258 91.396 11.068 1.00 50.46 C ATOM 349 C ALA A 54 7.326 92.827 11.084 1.00 47.06 C ATOM 350 O ALA A 54 7.492 93.741 11.927 1.00 42.59 O ATOM 351 N ILE A 55 8.286 91.989 10.700 1.00 43.86 N ATOM 352 CA ILE A 55 9.640 91.950 11.320 1.00 45.40 C ATOM 353 CB ILE A 55 9.787 90.770 12.297 1.00 46.03 C ATOM 354 CG1 ILE A 55 8.682 90.772 13.355 1.00 48.17 C ATOM 355 CG2 ILE A 55 11.180 90.782 12.912 1.00 47.90 C ATOM 356 CD1 ILE A 55 8.717 89.580 14.296 1.00 52.33 C ATOM 357 C ILE A 55 10.666 91.863 10.198 1.00 51.20 C ATOM 358 O ILE A 55 10.630 90.871 9.476 1.00 53.67 O ATOM 359 N THR A 56 11.554 92.850 10.092 1.00 46.19 N ATOM 360 CA THR A 56 12.359 93.115 8.876 1.00 48.01 C ATOM 361 CB THR A 56 11.665 94.191 8.024 1.00 50.88 C ATOM 362 OG1 THR A 56 11.453 95.355 8.827 1.00 47.94 O ATOM 363 CG2 THR A 56 10.336 93.728 7.460 1.00 48.18 C ATOM 364 C THR A 56 13.790 93.478 9.272 1.00 49.52 C ATOM 365 O THR A 56 14.023 93.868 10.435 1.00 49.22 O ATOM 366 N VAL A 57 14.700 93.378 8.310 1.00 48.68 N ATOM 367 CA AVAL A 57 16.150 93.653 8.522 0.44 50.95 C ATOM 368 CA BVAL A 57 16.158 93.659 8.459 0.56 51.96 C ATOM 369 CB AVAL A 57 17.002 92.984 7.424 0.44 53.15 C ATOM 370 CB BVAL A 57 16.920 93.099 7.240 0.56 55.20 C ATOM 371 CG1AVAL A 57 16.800 93.613 6.052 0.44 52.02 C ATOM 372 CG1BVAL A 57 18.370 93.559 7.196 0.56 57.46 C ATOM 373 CG2AVAL A 57 18.473 92.957 7.800 0.44 54.65 C ATOM 374 CG2BVAL A 57 16.832 91.579 7.180 0.56 54.50 C ATOM 375 C VAL A 57 16.375 95.172 8.627 1.00 50.32 C ATOM 376 O VAL A 57 17.318 95.566 9.329 1.00 46.90 O ATOM 377 N THR A 58 15.545 95.985 7.966 1.00 51.82 N ATOM 378 CA THR A 58 15.545 97.473 8.069 1.00 51.53 C ATOM 379 CB THR A 58 16.193 98.141 6.846 1.00 55.12 C ATOM 380 OG1 THR A 58 15.338 97.923 5.723 1.00 52.51 O ATOM 381 CG2 THR A 58 17.582 97.620 6.548 1.00 55.67 C ATOM 382 C THR A 58 14.100 97.934 8.229 1.00 49.83 C ATOM 383 O THR A 58 13.185 97.170 7.936 1.00 48.96 O ATOM 384 N PRO A 59 13.842 99.168 8.724 1.00 47.07 N ATOM 385 CA PRO A 59 12.473 99.642 8.928 1.00 48.55 C ATOM 386 CB PRO A 59 12.664 101.090 9.408 1.00 48.92 C ATOM 387 CG PRO A 59 14.027 101.067 10.066 1.00 49.19 C ATOM 388 CD PRO A 59 14.841 100.146 9.179 1.00 49.00 C ATOM 389 C PRO A 59 11.649 99.577 7.632 1.00 47.40 C ATOM 390 O PRO A 59 12.148 99.939 6.592 1.00 48.35 O ATOM 391 N GLU A 60 10.415 99.086 7.722 1.00 45.92 N ATOM 392 CA GLU A 60 9.548 98.822 6.544 1.00 45.91 C ATOM 393 CB GLU A 60 9.575 97.329 6.209 1.00 47.62 C ATOM 394 CG GLU A 60 10.871 96.864 5.576 1.00 49.54 C ATOM 395 CD GLU A 60 11.163 97.428 4.192 1.00 53.45 C ATOM 396 OE1 GLU A 60 10.234 97.981 3.563 1.00 53.21 O ATOM 397 OE2 GLU A 60 12.325 97.313 3.746 1.00 50.69 O ATOM 398 C GLU A 60 8.117 99.294 6.814 1.00 45.30 C ATOM 399 O GLU A 60 7.206 98.749 6.194 1.00 48.80 O ATOM 400 N ALA A 61 7.915 100.275 7.696 1.00 45.64 N ATOM 401 CA ALA A 61 6.570 100.824 7.982 1.00 44.62 C ATOM 402 CB ALA A 61 6.643 101.941 8.997 1.00 45.14 C ATOM 403 C ALA A 61 5.933 101.302 6.670 1.00 43.86 C ATOM 404 O ALA A 61 6.621 101.965 5.869 1.00 44.09 O ATOM 405 N ASN A 62 4.662 100.963 6.471 1.00 45.30 N ATOM 406 CA ASN A 62 3.774 101.579 5.450 1.00 47.30 C ATOM 407 CB ASN A 62 2.881 100.516 4.803 1.00 46.19 C ATOM 408 CG ASN A 62 1.838 99.930 5.732 1.00 48.66 C ATOM 409 OD1 ASN A 62 1.445 100.535 6.729 1.00 48.22 O ATOM 410 ND2 ASN A 62 1.365 98.744 5.397 1.00 51.01 N ATOM 411 C ASN A 62 3.037 102.751 6.122 1.00 50.28 C ATOM 412 O ASN A 62 3.412 103.121 7.259 1.00 47.99 O ATOM 413 N MET A 63 2.029 103.328 5.463 1.00 49.52 N ATOM 414 CA MET A 63 1.334 104.547 5.960 1.00 51.18 C ATOM 415 CB MET A 63 0.426 105.143 4.878 1.00 51.91 C ATOM 416 CG MET A 63 1.194 105.962 3.853 1.00 54.99 C ATOM 417 SD MET A 63 1.966 107.429 4.609 1.00 55.19 S ATOM 418 CE MET A 63 3.258 107.765 3.413 1.00 60.70 C ATOM 419 C MET A 63 0.516 104.228 7.218 1.00 51.07 C ATOM 420 O MET A 63 0.198 105.177 7.953 1.00 51.65 O ATOM 421 N ASP A 64 0.227 102.949 7.482 1.00 49.94 N ATOM 422 CA ASP A 64 -0.679 102.510 8.580 1.00 51.51 C ATOM 423 CB ASP A 64 -1.640 101.427 8.080 1.00 53.14 C ATOM 424 CG ASP A 64 -2.487 101.858 6.891 1.00 62.21 C ATOM 425 OD1 ASP A 64 -2.950 103.017 6.886 1.00 60.94 O ATOM 426 OD2 ASP A 64 -2.663 101.036 5.976 1.00 68.00 O ATOM 427 C ASP A 64 0.123 102.000 9.790 1.00 47.66 C ATOM 428 O ASP A 64 -0.516 101.453 10.715 1.00 45.00 O ATOM 429 N GLN A 65 1.449 102.163 9.783 1.00 46.93 N ATOM 430 CA GLN A 65 2.371 101.532 10.768 1.00 48.14 C ATOM 431 CB GLN A 65 3.121 100.362 10.135 1.00 46.23 C ATOM 432 CG GLN A 65 2.211 99.232 9.663 1.00 46.27 C ATOM 433 CD GLN A 65 2.970 98.255 8.798 1.00 44.03 C ATOM 434 OE1 GLN A 65 3.924 98.614 8.111 1.00 44.33 O ATOM 435 NE2 GLN A 65 2.564 96.998 8.843 1.00 49.06 N ATOM 436 C GLN A 65 3.425 102.533 11.250 1.00 47.88 C ATOM 437 O GLN A 65 3.704 103.490 10.520 1.00 44.04 O ATOM 438 N GLU A 66 3.998 102.261 12.426 1.00 48.48 N ATOM 439 CA GLU A 66 5.259 102.859 12.943 1.00 46.78 C ATOM 440 CB GLU A 66 5.028 103.455 14.339 1.00 50.16 C ATOM 441 CG GLU A 66 3.707 104.191 14.516 1.00 53.34 C ATOM 442 CD GLU A 66 3.527 105.388 13.596 1.00 57.46 C ATOM 443 OE1 GLU A 66 4.554 106.057 13.309 1.00 54.41 O ATOM 444 OE2 GLU A 66 2.368 105.630 13.144 1.00 57.23 O ATOM 445 C GLU A 66 6.323 101.750 13.018 1.00 43.63 C ATOM 446 O GLU A 66 5.955 100.585 13.289 1.00 45.08 O ATOM 447 N SER A 67 7.596 102.087 12.823 1.00 43.79 N ATOM 448 CA SER A 67 8.751 101.154 12.948 1.00 42.82 C ATOM 449 CB SER A 67 9.698 101.285 11.797 1.00 43.44 C ATOM 450 OG SER A 67 9.138 100.747 10.610 1.00 47.34 O ATOM 451 C SER A 67 9.479 101.400 14.273 1.00 46.62 C ATOM 452 O SER A 67 9.712 102.579 14.606 1.00 44.21 O ATOM 453 N PHE A 68 9.845 100.327 14.988 1.00 44.35 N ATOM 454 CA PHE A 68 10.625 100.384 16.252 1.00 43.17 C ATOM 455 CB PHE A 68 9.747 100.045 17.453 1.00 41.55 C ATOM 456 CG PHE A 68 8.584 100.973 17.682 1.00 41.82 C ATOM 457 CD1 PHE A 68 7.380 100.770 17.023 1.00 42.50 C ATOM 458 CE1 PHE A 68 6.305 101.617 17.240 1.00 45.44 C ATOM 459 CZ PHE A 68 6.426 102.674 18.113 1.00 46.35 C ATOM 460 CD2 PHE A 68 8.700 102.054 18.545 1.00 44.29 C ATOM 461 CE2 PHE A 68 7.621 102.897 18.765 1.00 44.37 C ATOM 462 C PHE A 68 11.796 99.400 16.206 1.00 43.57 C ATOM 463 O PHE A 68 11.725 98.389 15.469 1.00 41.07 O ATOM 464 N GLY A 69 12.838 99.669 16.996 1.00 42.12 N ATOM 465 CA GLY A 69 13.886 98.672 17.298 1.00 41.03 C ATOM 466 C GLY A 69 13.266 97.454 17.966 1.00 42.12 C ATOM 467 O GLY A 69 12.512 97.635 18.955 1.00 40.18 O ATOM 468 N GLY A 70 13.545 96.249 17.454 1.00 43.25 N ATOM 469 CA GLY A 70 12.841 95.007 17.850 1.00 41.71 C ATOM 470 C GLY A 70 12.979 94.664 19.328 1.00 40.61 C ATOM 471 O GLY A 70 11.934 94.393 19.974 1.00 42.55 O ATOM 472 N ALA A 71 14.206 94.634 19.857 1.00 42.29 N ATOM 473 CA ALA A 71 14.506 94.263 21.264 1.00 42.31 C ATOM 474 CB ALA A 71 15.995 94.296 21.515 1.00 45.32 C ATOM 475 C ALA A 71 13.758 95.197 22.233 1.00 43.26 C ATOM 476 O ALA A 71 13.312 94.707 23.278 1.00 43.21 O ATOM 477 N SER A 72 13.606 96.487 21.899 1.00 40.62 N ATOM 478 CA SER A 72 12.946 97.494 22.775 1.00 39.67 C ATOM 479 CB SER A 72 13.212 98.910 22.287 1.00 40.70 C ATOM 480 OG SER A 72 12.494 99.217 21.098 1.00 41.66 O ATOM 481 C SER A 72 11.445 97.194 22.913 1.00 40.84 C ATOM 482 O SER A 72 10.816 97.687 23.895 1.00 40.79 O ATOM 483 N CYS A 73 10.880 96.401 21.990 1.00 40.36 N ATOM 484 CA CYS A 73 9.436 96.059 21.927 1.00 39.67 C ATOM 485 CB CYS A 73 8.900 96.235 20.516 1.00 45.22 C ATOM 486 SG CYS A 73 9.110 97.919 19.897 1.00 44.46 S ATOM 487 C CYS A 73 9.177 94.612 22.353 1.00 39.90 C ATOM 488 O CYS A 73 8.055 94.143 22.137 1.00 40.87 O ATOM 489 N CYS A 74 10.181 93.934 22.901 1.00 39.14 N ATOM 490 CA CYS A 74 10.088 92.517 23.338 1.00 38.49 C ATOM 491 CB CYS A 74 11.293 91.713 22.864 1.00 39.55 C ATOM 492 SG CYS A 74 11.279 90.012 23.479 1.00 43.71 S ATOM 493 C CYS A 74 10.031 92.471 24.858 1.00 37.70 C ATOM 494 O CYS A 74 10.996 92.921 25.495 1.00 39.01 O ATOM 495 N LEU A 75 8.954 91.933 25.425 1.00 38.65 N ATOM 496 CA LEU A 75 8.804 91.870 26.898 1.00 38.94 C ATOM 497 CB LEU A 75 7.483 91.187 27.251 1.00 42.02 C ATOM 498 CG LEU A 75 7.201 91.082 28.751 1.00 43.80 C ATOM 499 CD1 LEU A 75 6.959 92.453 29.360 1.00 41.71 C ATOM 500 CD2 LEU A 75 6.023 90.160 29.021 1.00 46.31 C ATOM 501 C LEU A 75 10.006 91.130 27.508 1.00 40.26 C ATOM 502 O LEU A 75 10.499 91.574 28.544 1.00 40.86 O ATOM 503 N TYR A 76 10.459 90.034 26.898 1.00 41.67 N ATOM 504 CA TYR A 76 11.508 89.134 27.460 1.00 42.72 C ATOM 505 CB TYR A 76 11.501 87.798 26.702 1.00 43.71 C ATOM 506 CG TYR A 76 10.157 87.125 26.792 1.00 42.92 C ATOM 507 CD1 TYR A 76 9.741 86.539 27.975 1.00 43.78 C ATOM 508 CE1 TYR A 76 8.479 85.982 28.098 1.00 43.62 C ATOM 509 CZ TYR A 76 7.601 86.025 27.032 1.00 44.71 C ATOM 510 OH TYR A 76 6.348 85.497 27.154 1.00 47.37 O ATOM 511 CE2 TYR A 76 7.987 86.634 25.851 1.00 45.65 C ATOM 512 CD2 TYR A 76 9.248 87.196 25.749 1.00 44.90 C ATOM 513 C TYR A 76 12.862 89.851 27.457 1.00 41.84 C ATOM 514 O TYR A 76 13.594 89.731 28.456 1.00 41.65 O ATOM 515 N CYS A 77 13.180 90.561 26.369 1.00 40.36 N ATOM 516 CA CYS A 77 14.395 91.407 26.251 1.00 42.71 C ATOM 517 CB CYS A 77 14.533 91.988 24.849 1.00 45.53 C ATOM 518 SG CYS A 77 15.064 90.808 23.571 1.00 45.55 S ATOM 519 C CYS A 77 14.330 92.525 27.306 1.00 42.04 C ATOM 520 O CYS A 77 15.342 92.756 27.986 1.00 41.32 O ATOM 521 N ARG A 78 13.179 93.183 27.464 1.00 39.34 N ATOM 522 CA ARG A 78 13.041 94.366 28.362 1.00 40.84 C ATOM 523 CB ARG A 78 11.737 95.116 28.057 1.00 41.80 C ATOM 524 CG ARG A 78 11.760 95.946 26.779 1.00 41.94 C ATOM 525 CD ARG A 78 12.691 97.148 26.830 1.00 41.98 C ATOM 526 NE ARG A 78 12.292 98.182 27.786 1.00 42.60 N ATOM 527 CZ ARG A 78 11.429 99.170 27.543 1.00 41.76 C ATOM 528 NH1 ARG A 78 10.826 99.270 26.372 1.00 43.06 N ATOM 529 NH2 ARG A 78 11.156 100.057 28.486 1.00 42.02 N ATOM 530 C ARG A 78 13.131 93.918 29.831 1.00 40.08 C ATOM 531 O ARG A 78 13.649 94.697 30.658 1.00 40.84 O ATOM 532 N CYS A 79 12.658 92.705 30.129 1.00 40.93 N ATOM 533 CA CYS A 79 12.666 92.066 31.470 1.00 42.00 C ATOM 534 CB CYS A 79 11.506 91.086 31.606 1.00 43.34 C ATOM 535 SG CYS A 79 9.891 91.878 31.823 1.00 43.74 S ATOM 536 C CYS A 79 13.991 91.336 31.745 1.00 45.38 C ATOM 537 O CYS A 79 14.152 90.879 32.892 1.00 43.76 O ATOM 538 N HIS A 80 14.886 91.198 30.755 1.00 42.41 N ATOM 539 CA HIS A 80 16.183 90.475 30.889 1.00 47.43 C ATOM 540 CB HIS A 80 17.118 91.190 31.885 1.00 49.08 C ATOM 541 CG HIS A 80 17.318 92.640 31.617 1.00 50.84 C ATOM 542 ND1 HIS A 80 17.987 93.098 30.501 1.00 58.60 N ATOM 543 CE1 HIS A 80 18.012 94.419 30.513 1.00 56.16 C ATOM 544 NE2 HIS A 80 17.392 94.829 31.619 1.00 55.04 N ATOM 545 CD2 HIS A 80 16.958 93.735 32.319 1.00 54.63 C ATOM 546 C HIS A 80 15.952 89.030 31.363 1.00 48.89 C ATOM 547 O HIS A 80 16.725 88.576 32.241 1.00 49.19 O ATOM 548 N ILE A 81 14.929 88.344 30.841 1.00 43.62 N ATOM 549 CA ILE A 81 14.601 86.926 31.191 1.00 47.80 C ATOM 550 CB ILE A 81 13.229 86.791 31.884 1.00 47.98 C ATOM 551 CG1 ILE A 81 12.077 87.276 30.997 1.00 45.58 C ATOM 552 CG2 ILE A 81 13.256 87.493 33.234 1.00 50.15 C ATOM 553 CD1 ILE A 81 10.703 87.114 31.629 1.00 48.93 C ATOM 554 C ILE A 81 14.667 86.070 29.926 1.00 47.00 C ATOM 555 O ILE A 81 14.694 86.637 28.817 1.00 46.79 O ATOM 556 N ASP A 82 14.650 84.748 30.104 1.00 50.60 N ATOM 557 CA ASP A 82 14.701 83.759 28.997 1.00 52.29 C ATOM 558 CB ASP A 82 14.877 82.331 29.527 1.00 54.42 C ATOM 559 CG ASP A 82 16.246 82.061 30.138 1.00 56.97 C ATOM 560 OD1 ASP A 82 17.176 82.856 29.903 1.00 62.58 O ATOM 561 OD2 ASP A 82 16.371 81.060 30.857 1.00 70.02 O ATOM 562 C ASP A 82 13.440 83.912 28.146 1.00 47.69 C ATOM 563 O ASP A 82 12.376 84.250 28.689 1.00 47.59 O ATOM 564 N HIS A 83 13.580 83.708 26.841 1.00 46.01 N ATOM 565 CA HIS A 83 12.465 83.668 25.861 1.00 49.34 C ATOM 566 CB HIS A 83 12.996 83.957 24.460 1.00 48.24 C ATOM 567 CG HIS A 83 13.444 85.370 24.319 1.00 49.85 C ATOM 568 ND1 HIS A 83 14.567 85.846 24.961 1.00 48.40 N ATOM 569 CE1 HIS A 83 14.716 87.127 24.680 1.00 51.39 C ATOM 570 NE2 HIS A 83 13.696 87.504 23.904 1.00 47.18 N ATOM 571 CD2 HIS A 83 12.895 86.421 23.672 1.00 47.86 C ATOM 572 C HIS A 83 11.787 82.311 25.968 1.00 55.98 C ATOM 573 O HIS A 83 12.472 81.310 26.139 1.00 54.77 O ATOM 574 N PRO A 84 10.440 82.234 25.910 1.00 61.63 N ATOM 575 CA PRO A 84 9.732 80.999 26.245 1.00 70.36 C ATOM 576 CB PRO A 84 8.400 81.570 26.743 1.00 69.20 C ATOM 577 CG PRO A 84 8.150 82.712 25.784 1.00 68.53 C ATOM 578 CD PRO A 84 9.520 83.326 25.560 1.00 64.14 C ATOM 579 C PRO A 84 9.544 80.062 25.043 1.00 72.76 C ATOM 580 O PRO A 84 8.427 79.791 24.686 1.00 82.33 O ATOM 581 N ASN A 85 10.646 79.604 24.454 1.00 78.11 N ATOM 582 CA ASN A 85 10.678 78.588 23.367 1.00 80.13 C ATOM 583 CB ASN A 85 10.696 79.249 21.987 1.00 78.69 C ATOM 584 CG ASN A 85 11.972 80.019 21.737 1.00 79.01 C ATOM 585 OD1 ASN A 85 13.005 79.429 21.426 1.00 77.88 O ATOM 586 ND2 ASN A 85 11.910 81.333 21.885 1.00 80.14 N ATOM 587 C ASN A 85 11.892 77.699 23.623 1.00 89.29 C ATOM 588 O ASN A 85 12.796 78.105 24.357 1.00 78.10 O ATOM 589 N PRO A 86 11.960 76.476 23.041 1.00 97.20 N ATOM 590 CA PRO A 86 13.020 75.521 23.375 1.00 95.94 C ATOM 591 CB PRO A 86 12.829 74.377 22.360 1.00 99.71 C ATOM 592 CG PRO A 86 11.911 74.952 21.293 1.00102.89 C ATOM 593 CD PRO A 86 11.031 75.937 22.034 1.00 99.62 C ATOM 594 C PRO A 86 14.449 76.086 23.287 1.00 90.58 C ATOM 595 O PRO A 86 15.214 75.828 24.197 1.00 83.72 O ATOM 596 N LYS A 87 14.768 76.846 22.231 1.00 84.55 N ATOM 597 CA LYS A 87 16.141 77.361 21.962 1.00 83.80 C ATOM 598 CB LYS A 87 16.380 77.453 20.452 1.00 88.01 C ATOM 599 CG LYS A 87 16.479 76.107 19.752 1.00 92.67 C ATOM 600 CD LYS A 87 16.813 76.214 18.287 1.00 97.53 C ATOM 601 CE LYS A 87 16.907 74.861 17.615 1.00101.29 C ATOM 602 NZ LYS A 87 17.081 74.990 16.149 1.00101.77 N ATOM 603 C LYS A 87 16.377 78.725 22.632 1.00 78.00 C ATOM 604 O LYS A 87 17.524 79.211 22.552 1.00 75.39 O ATOM 605 N GLY A 88 15.356 79.318 23.267 1.00 73.42 N ATOM 606 CA GLY A 88 15.421 80.676 23.848 1.00 68.85 C ATOM 607 C GLY A 88 15.762 81.722 22.794 1.00 66.25 C ATOM 608 O GLY A 88 16.455 82.708 23.125 1.00 64.16 O ATOM 609 N PHE A 89 15.299 81.515 21.559 1.00 61.41 N ATOM 610 CA PHE A 89 15.526 82.412 20.396 1.00 63.59 C ATOM 611 CB PHE A 89 15.374 81.614 19.096 1.00 70.72 C ATOM 612 CG PHE A 89 15.342 82.438 17.836 1.00 76.24 C ATOM 613 CD1 PHE A 89 16.503 83.009 17.335 1.00 79.71 C ATOM 614 CE1 PHE A 89 16.473 83.768 16.175 1.00 75.57 C ATOM 615 CZ PHE A 89 15.285 83.957 15.503 1.00 77.09 C ATOM 616 CD2 PHE A 89 14.152 82.635 17.147 1.00 79.16 C ATOM 617 CE2 PHE A 89 14.123 83.397 15.989 1.00 76.26 C ATOM 618 C PHE A 89 14.535 83.582 20.485 1.00 56.76 C ATOM 619 O PHE A 89 13.368 83.363 20.881 1.00 54.94 O ATOM 620 N CYS A 90 14.985 84.793 20.155 1.00 53.52 N ATOM 621 CA CYS A 90 14.122 85.999 20.043 1.00 47.98 C ATOM 622 CB CYS A 90 14.719 87.179 20.798 1.00 51.31 C ATOM 623 SG CYS A 90 13.635 88.633 20.755 1.00 46.83 S ATOM 624 C CYS A 90 13.932 86.358 18.563 1.00 43.44 C ATOM 625 O CYS A 90 14.941 86.546 17.880 1.00 45.61 O ATOM 626 N ASP A 91 12.683 86.469 18.113 1.00 46.15 N ATOM 627 CA ASP A 91 12.290 86.839 16.724 1.00 51.75 C ATOM 628 CB ASP A 91 10.832 86.443 16.434 1.00 58.00 C ATOM 629 CG ASP A 91 9.774 86.926 17.425 1.00 67.05 C ATOM 630 OD1 ASP A 91 10.123 87.190 18.601 1.00 70.14 O ATOM 631 OD2 ASP A 91 8.587 87.015 17.023 1.00 71.34 O ATOM 632 C ASP A 91 12.543 88.337 16.462 1.00 50.85 C ATOM 633 O ASP A 91 12.604 88.724 15.282 1.00 47.57 O ATOM 634 N LEU A 92 12.700 89.158 17.503 1.00 48.06 N ATOM 635 CA LEU A 92 12.677 90.646 17.381 1.00 44.61 C ATOM 636 CB LEU A 92 11.751 91.198 18.472 1.00 48.17 C ATOM 637 CG LEU A 92 10.261 90.916 18.266 1.00 50.40 C ATOM 638 CD1 LEU A 92 9.453 91.212 19.520 1.00 49.55 C ATOM 639 CD2 LEU A 92 9.710 91.711 17.089 1.00 53.15 C ATOM 640 C LEU A 92 14.090 91.237 17.482 1.00 47.07 C ATOM 641 O LEU A 92 14.360 92.237 16.791 1.00 44.98 O ATOM 642 N LYS A 93 14.964 90.653 18.307 1.00 49.33 N ATOM 643 CA LYS A 93 16.312 91.201 18.627 1.00 52.46 C ATOM 644 CB LYS A 93 17.010 90.271 19.627 1.00 58.09 C ATOM 645 CG LYS A 93 18.342 90.768 20.166 1.00 64.79 C ATOM 646 CD LYS A 93 18.946 89.856 21.226 1.00 69.62 C ATOM 647 CE LYS A 93 19.818 90.621 22.199 1.00 74.52 C ATOM 648 NZ LYS A 93 20.612 89.706 23.052 1.00 80.40 N ATOM 649 C LYS A 93 17.128 91.380 17.337 1.00 49.97 C ATOM 650 O LYS A 93 17.146 90.457 16.522 1.00 54.55 O ATOM 651 N GLY A 94 17.756 92.543 17.142 1.00 47.09 N ATOM 652 CA GLY A 94 18.611 92.827 15.975 1.00 47.48 C ATOM 653 C GLY A 94 17.810 93.191 14.738 1.00 49.28 C ATOM 654 O GLY A 94 18.434 93.498 13.719 1.00 51.99 O ATOM 655 N LYS A 95 16.477 93.181 14.817 1.00 46.13 N ATOM 656 CA LYS A 95 15.573 93.498 13.684 1.00 46.77 C ATOM 657 CB LYS A 95 14.727 92.266 13.375 1.00 49.87 C ATOM 658 CG LYS A 95 15.529 91.118 12.773 1.00 58.67 C ATOM 659 CD LYS A 95 14.798 89.795 12.778 1.00 68.71 C ATOM 660 CE LYS A 95 14.797 89.121 11.421 1.00 76.29 C ATOM 661 NZ LYS A 95 16.161 89.039 10.850 1.00 78.90 N ATOM 662 C LYS A 95 14.723 94.738 14.002 1.00 46.21 C ATOM 663 O LYS A 95 14.933 95.358 15.057 1.00 43.63 O ATOM 664 N TYR A 96 13.826 95.093 13.082 1.00 43.68 N ATOM 665 CA TYR A 96 12.887 96.239 13.176 1.00 45.04 C ATOM 666 CB TYR A 96 13.255 97.301 12.136 1.00 46.28 C ATOM 667 CG TYR A 96 14.665 97.758 12.382 1.00 47.26 C ATOM 668 CD1 TYR A 96 14.938 98.679 13.382 1.00 48.35 C ATOM 669 CE1 TYR A 96 16.239 99.031 13.699 1.00 49.89 C ATOM 670 CZ TYR A 96 17.290 98.428 13.029 1.00 49.32 C ATOM 671 OH TYR A 96 18.572 98.766 13.330 1.00 49.43 O ATOM 672 CE2 TYR A 96 17.039 97.481 12.051 1.00 49.47 C ATOM 673 CD2 TYR A 96 15.730 97.128 11.760 1.00 46.86 C ATOM 674 C TYR A 96 11.478 95.678 13.088 1.00 46.24 C ATOM 675 O TYR A 96 11.254 94.774 12.264 1.00 45.11 O ATOM 676 N VAL A 97 10.597 96.155 13.966 1.00 43.35 N ATOM 677 CA VAL A 97 9.186 95.693 14.038 1.00 43.28 C ATOM 678 CB VAL A 97 8.836 95.110 15.417 1.00 45.13 C ATOM 679 CG1 VAL A 97 9.039 96.111 16.549 1.00 46.02 C ATOM 680 CG2 VAL A 97 7.423 94.542 15.427 1.00 44.45 C ATOM 681 C VAL A 97 8.264 96.840 13.609 1.00 45.86 C ATOM 682 O VAL A 97 8.459 98.006 14.059 1.00 41.51 O ATOM 683 N GLN A 98 7.327 96.509 12.722 1.00 41.75 N ATOM 684 CA GLN A 98 6.263 97.411 12.227 1.00 44.17 C ATOM 685 CB GLN A 98 6.008 97.154 10.741 1.00 44.31 C ATOM 686 CG GLN A 98 7.028 97.837 9.839 1.00 42.43 C ATOM 687 CD GLN A 98 8.450 97.363 10.030 1.00 47.28 C ATOM 688 OE1 GLN A 98 9.372 98.143 10.289 1.00 43.56 O ATOM 689 NE2 GLN A 98 8.659 96.064 9.886 1.00 47.18 N ATOM 690 C GLN A 98 5.021 97.192 13.083 1.00 44.28 C ATOM 691 O GLN A 98 4.571 96.039 13.182 1.00 46.48 O ATOM 692 N ILE A 99 4.498 98.258 13.691 1.00 40.37 N ATOM 693 CA ILE A 99 3.311 98.202 14.590 1.00 43.45 C ATOM 694 CB ILE A 99 3.645 98.701 16.012 1.00 44.53 C ATOM 695 CG1 ILE A 99 4.899 98.042 16.598 1.00 46.53 C ATOM 696 CG2 ILE A 99 2.427 98.550 16.919 1.00 44.40 C ATOM 697 CD1 ILE A 99 4.729 96.585 16.988 1.00 46.64 C ATOM 698 C ILE A 99 2.218 99.058 13.962 1.00 43.16 C ATOM 699 O ILE A 99 2.463 100.219 13.660 1.00 45.37 O ATOM 700 N PRO A 100 0.984 98.536 13.785 1.00 45.67 N ATOM 701 CA PRO A 100 -0.135 99.359 13.334 1.00 48.55 C ATOM 702 CB PRO A 100 -1.380 98.476 13.540 1.00 49.66 C ATOM 703 CG PRO A 100 -0.851 97.046 13.595 1.00 50.76 C ATOM 704 CD PRO A 100 0.598 97.139 14.030 1.00 49.22 C ATOM 705 C PRO A 100 -0.258 100.619 14.207 1.00 50.44 C ATOM 706 O PRO A 100 -0.211 100.489 15.412 1.00 44.38 O ATOM 707 N THR A 101 -0.451 101.784 13.590 1.00 47.57 N ATOM 708 CA THR A 101 -0.516 103.096 14.280 1.00 49.76 C ATOM 709 CB THR A 101 -0.795 104.219 13.280 1.00 51.50 C ATOM 710 OG1 THR A 101 0.306 104.201 12.371 1.00 49.60 O ATOM 711 CG2 THR A 101 -0.934 105.577 13.937 1.00 52.99 C ATOM 712 C THR A 101 -1.538 103.033 15.419 1.00 50.20 C ATOM 713 O THR A 101 -1.244 103.572 16.503 1.00 50.87 O ATOM 714 N THR A 102 -2.670 102.367 15.203 1.00 47.81 N ATOM 715 CA THR A 102 -3.763 102.244 16.201 1.00 53.48 C ATOM 716 CB THR A 102 -4.989 101.543 15.607 1.00 57.56 C ATOM 717 OG1 THR A 102 -4.562 100.244 15.199 1.00 58.02 O ATOM 718 CG2 THR A 102 -5.592 102.302 14.446 1.00 58.77 C ATOM 719 C THR A 102 -3.297 101.477 17.449 1.00 53.66 C ATOM 720 O THR A 102 -3.991 101.592 18.467 1.00 51.08 O ATOM 721 N CYS A 103 -2.195 100.717 17.381 1.00 49.22 N ATOM 722 CA CYS A 103 -1.653 99.924 18.520 1.00 49.38 C ATOM 723 CB CYS A 103 -1.604 98.450 18.144 1.00 49.21 C ATOM 724 SG CYS A 103 -3.241 97.745 17.792 1.00 53.90 S ATOM 725 C CYS A 103 -0.258 100.410 18.958 1.00 47.55 C ATOM 726 O CYS A 103 0.287 99.816 19.904 1.00 45.84 O ATOM 727 N ALA A 104 0.292 101.462 18.339 1.00 44.23 N ATOM 728 CA ALA A 104 1.698 101.899 18.532 1.00 46.72 C ATOM 729 CB ALA A 104 2.157 102.740 17.366 1.00 47.18 C ATOM 730 C ALA A 104 1.900 102.647 19.860 1.00 47.11 C ATOM 731 O ALA A 104 3.059 102.970 20.177 1.00 46.80 O ATOM 732 N ASN A 105 0.846 102.889 20.633 1.00 47.48 N ATOM 733 CA ASN A 105 0.973 103.359 22.039 1.00 51.42 C ATOM 734 CB ASN A 105 -0.354 103.886 22.577 1.00 52.29 C ATOM 735 CG ASN A 105 -1.405 102.803 22.640 1.00 55.16 C ATOM 736 OD1 ASN A 105 -1.677 102.145 21.642 1.00 60.44 O ATOM 737 ND2 ASN A 105 -1.983 102.588 23.809 1.00 63.41 N ATOM 738 C ASN A 105 1.484 102.215 22.939 1.00 50.47 C ATOM 739 O ASN A 105 1.874 102.505 24.080 1.00 46.08 O ATOM 740 N ASP A 106 1.454 100.954 22.480 1.00 47.45 N ATOM 741 CA ASP A 106 1.865 99.783 23.312 1.00 45.81 C ATOM 742 CB ASP A 106 0.660 99.232 24.081 1.00 42.23 C ATOM 743 CG ASP A 106 0.975 98.070 25.011 1.00 45.59 C ATOM 744 OD1 ASP A 106 2.181 97.867 25.349 1.00 45.32 O ATOM 745 OD2 ASP A 106 0.016 97.365 25.389 1.00 47.17 O ATOM 746 C ASP A 106 2.545 98.727 22.439 1.00 42.20 C ATOM 747 O ASP A 106 2.018 97.630 22.258 1.00 42.44 O ATOM 748 N PRO A 107 3.757 99.000 21.906 1.00 42.75 N ATOM 749 CA PRO A 107 4.446 98.030 21.056 1.00 42.11 C ATOM 750 CB PRO A 107 5.734 98.759 20.658 1.00 43.42 C ATOM 751 CG PRO A 107 5.425 100.226 20.874 1.00 43.78 C ATOM 752 CD PRO A 107 4.528 100.242 22.084 1.00 42.86 C ATOM 753 C PRO A 107 4.748 96.693 21.766 1.00 44.02 C ATOM 754 O PRO A 107 4.599 95.645 21.138 1.00 43.83 O ATOM 755 N VAL A 108 5.130 96.733 23.048 1.00 41.18 N ATOM 756 CA VAL A 108 5.461 95.510 23.847 1.00 41.56 C ATOM 757 CB VAL A 108 5.995 95.866 25.250 1.00 40.32 C ATOM 758 CG1 VAL A 108 6.216 94.624 26.103 1.00 41.39 C ATOM 759 CG2 VAL A 108 7.269 96.696 25.180 1.00 39.38 C ATOM 760 C VAL A 108 4.219 94.608 23.914 1.00 42.45 C ATOM 761 O VAL A 108 4.351 93.399 23.651 1.00 40.69 O ATOM 762 N GLY A 109 3.056 95.169 24.261 1.00 42.68 N ATOM 763 CA GLY A 109 1.777 94.433 24.335 1.00 45.74 C ATOM 764 C GLY A 109 1.372 93.888 22.974 1.00 44.61 C ATOM 765 O GLY A 109 0.871 92.740 22.893 1.00 45.45 O ATOM 766 N PHE A 110 1.602 94.665 21.921 1.00 44.32 N ATOM 767 CA PHE A 110 1.223 94.268 20.543 1.00 45.52 C ATOM 768 CB PHE A 110 1.423 95.398 19.541 1.00 43.32 C ATOM 769 CG PHE A 110 0.899 95.011 18.185 1.00 44.45 C ATOM 770 CD1 PHE A 110 -0.442 95.188 17.876 1.00 45.51 C ATOM 771 CE1 PHE A 110 -0.941 94.798 16.643 1.00 46.48 C ATOM 772 CZ PHE A 110 -0.107 94.222 15.714 1.00 44.63 C ATOM 773 CD2 PHE A 110 1.724 94.402 17.255 1.00 44.92 C ATOM 774 CE2 PHE A 110 1.224 94.023 16.016 1.00 46.32 C ATOM 775 C PHE A 110 2.007 93.026 20.103 1.00 44.65 C ATOM 776 O PHE A 110 1.375 92.076 19.637 1.00 44.79 O ATOM 777 N THR A 111 3.336 93.027 20.218 1.00 45.56 N ATOM 778 CA THR A 111 4.188 91.900 19.754 1.00 43.86 C ATOM 779 CB THR A 111 5.687 92.215 19.814 1.00 45.86 C ATOM 780 OG1 THR A 111 6.065 92.453 21.173 1.00 45.50 O ATOM 781 CG2 THR A 111 6.056 93.400 18.945 1.00 47.79 C ATOM 782 C THR A 111 3.861 90.666 20.590 1.00 47.77 C ATOM 783 O THR A 111 3.827 89.570 20.040 1.00 47.36 O ATOM 784 N LEU A 112 3.624 90.865 21.883 1.00 50.29 N ATOM 785 CA LEU A 112 3.280 89.785 22.835 1.00 49.56 C ATOM 786 CB LEU A 112 3.141 90.405 24.228 1.00 48.78 C ATOM 787 CG LEU A 112 3.182 89.448 25.409 1.00 50.48 C ATOM 788 CD1 LEU A 112 4.500 88.689 25.450 1.00 51.85 C ATOM 789 CD2 LEU A 112 2.967 90.214 26.700 1.00 51.90 C ATOM 790 C LEU A 112 1.983 89.103 22.381 1.00 51.01 C ATOM 791 O LEU A 112 1.943 87.866 22.398 1.00 50.31 O ATOM 792 N LYS A 113 0.972 89.871 21.970 1.00 49.30 N ATOM 793 CA LYS A 113 -0.399 89.341 21.733 1.00 50.46 C ATOM 794 CB LYS A 113 -1.460 90.414 21.988 1.00 50.86 C ATOM 795 CG LYS A 113 -1.593 90.841 23.436 1.00 49.16 C ATOM 796 CD LYS A 113 -2.399 92.094 23.592 1.00 51.01 C ATOM 797 CE LYS A 113 -2.629 92.438 25.042 1.00 52.35 C ATOM 798 NZ LYS A 113 -3.379 93.706 25.174 1.00 56.14 N ATOM 799 C LYS A 113 -0.566 88.814 20.306 1.00 49.29 C ATOM 800 O LYS A 113 -1.577 88.153 20.075 1.00 55.37 O ATOM 801 N ASN A 114 0.353 89.092 19.382 1.00 50.34 N ATOM 802 CA ASN A 114 0.078 88.875 17.937 1.00 53.55 C ATOM 803 CB ASN A 114 -0.005 90.213 17.200 1.00 49.51 C ATOM 804 CG ASN A 114 -1.280 90.937 17.556 1.00 51.80 C ATOM 805 OD1 ASN A 114 -2.353 90.556 17.097 1.00 55.63 O ATOM 806 ND2 ASN A 114 -1.194 91.946 18.411 1.00 52.45 N ATOM 807 C ASN A 114 1.061 87.875 17.320 1.00 49.59 C ATOM 808 O ASN A 114 2.079 87.549 17.958 1.00 52.48 O ATOM 809 N THR A 115 0.736 87.418 16.106 1.00 53.92 N ATOM 810 CA THR A 115 1.497 86.411 15.327 1.00 53.16 C ATOM 811 CB THR A 115 0.787 85.055 15.328 1.00 59.15 C ATOM 812 OG1 THR A 115 0.527 84.757 16.697 1.00 60.15 O ATOM 813 CG2 THR A 115 1.613 83.960 14.693 1.00 63.04 C ATOM 814 C THR A 115 1.678 86.879 13.885 1.00 51.09 C ATOM 815 O THR A 115 0.722 87.423 13.304 1.00 51.49 O ATOM 816 N VAL A 116 2.862 86.627 13.332 1.00 52.89 N ATOM 817 CA VAL A 116 3.211 86.943 11.920 1.00 57.69 C ATOM 818 CB VAL A 116 4.731 87.117 11.748 1.00 57.34 C ATOM 819 CG1 VAL A 116 5.086 87.541 10.329 1.00 56.75 C ATOM 820 CG2 VAL A 116 5.309 88.090 12.770 1.00 59.29 C ATOM 821 C VAL A 116 2.688 85.797 11.048 1.00 61.11 C ATOM 822 O VAL A 116 3.022 84.644 11.355 1.00 65.59 O ATOM 823 N CYS A 117 1.911 86.110 10.007 1.00 67.38 N ATOM 824 CA CYS A 117 1.485 85.163 8.938 1.00 68.21 C ATOM 825 CB CYS A 117 0.513 85.834 7.976 1.00 71.48 C ATOM 826 SG CYS A 117 0.254 84.951 6.411 1.00 74.28 S ATOM 827 C CYS A 117 2.724 84.633 8.201 1.00 74.33 C ATOM 828 O CYS A 117 3.554 85.454 7.752 1.00 67.40 O ATOM 829 N THR A 118 2.844 83.305 8.089 1.00 80.31 N ATOM 830 CA THR A 118 4.007 82.593 7.485 1.00 78.37 C ATOM 831 CB THR A 118 3.985 81.107 7.859 1.00 81.98 C ATOM 832 OG1 THR A 118 2.659 80.635 7.627 1.00 85.03 O ATOM 833 CG2 THR A 118 4.355 80.841 9.302 1.00 80.16 C ATOM 834 C THR A 118 4.024 82.790 5.962 1.00 79.22 C ATOM 835 O THR A 118 5.093 82.553 5.366 1.00 78.99 O ATOM 836 N VAL A 119 2.907 83.227 5.363 1.00 78.77 N ATOM 837 CA VAL A 119 2.776 83.476 3.894 1.00 84.19 C ATOM 838 CB VAL A 119 1.330 83.258 3.397 1.00 88.22 C ATOM 839 CG1 VAL A 119 1.244 83.344 1.881 1.00 88.85 C ATOM 840 CG2 VAL A 119 0.753 81.937 3.883 1.00 89.80 C ATOM 841 C VAL A 119 3.278 84.893 3.571 1.00 82.74 C ATOM 842 O VAL A 119 4.403 85.007 3.040 1.00 80.00 O ATOM 843 N CYS A 120 2.478 85.927 3.866 1.00 79.28 N ATOM 844 CA CYS A 120 2.734 87.335 3.456 1.00 71.50 C ATOM 845 CB CYS A 120 1.454 88.161 3.439 1.00 70.53 C ATOM 846 SG CYS A 120 0.562 88.176 5.012 1.00 72.62 S ATOM 847 C CYS A 120 3.776 87.987 4.377 1.00 66.77 C ATOM 848 O CYS A 120 4.386 88.973 3.938 1.00 60.66 O ATOM 849 N GLY A 121 3.964 87.468 5.596 1.00 63.44 N ATOM 850 CA GLY A 121 4.952 87.980 6.569 1.00 61.77 C ATOM 851 C GLY A 121 4.453 89.228 7.284 1.00 57.69 C ATOM 852 O GLY A 121 5.289 89.974 7.817 1.00 56.85 O ATOM 853 N MET A 122 3.136 89.434 7.304 1.00 54.83 N ATOM 854 CA MET A 122 2.457 90.554 8.001 1.00 59.40 C ATOM 855 CB MET A 122 1.515 91.280 7.037 1.00 63.78 C ATOM 856 CG MET A 122 2.270 91.904 5.879 1.00 66.36 C ATOM 857 SD MET A 122 1.228 92.854 4.764 1.00 72.20 S ATOM 858 CE MET A 122 2.416 93.149 3.453 1.00 75.69 C ATOM 859 C MET A 122 1.684 90.017 9.210 1.00 57.90 C ATOM 860 O MET A 122 1.438 88.791 9.273 1.00 57.01 O ATOM 861 N TRP A 123 1.334 90.905 10.143 1.00 53.91 N ATOM 862 CA TRP A 123 0.621 90.561 11.399 1.00 52.86 C ATOM 863 CB TRP A 123 0.530 91.772 12.339 1.00 51.78 C ATOM 864 CG TRP A 123 1.847 92.200 12.914 1.00 48.29 C ATOM 865 CD1 TRP A 123 2.536 93.342 12.622 1.00 47.70 C ATOM 866 NE1 TRP A 123 3.691 93.397 13.353 1.00 44.21 N ATOM 867 CE2 TRP A 123 3.783 92.282 14.139 1.00 47.59 C ATOM 868 CD2 TRP A 123 2.642 91.490 13.881 1.00 48.36 C ATOM 869 CE3 TRP A 123 2.488 90.290 14.582 1.00 49.07 C ATOM 870 CZ3 TRP A 123 3.463 89.913 15.477 1.00 50.60 C ATOM 871 CH2 TRP A 123 4.595 90.701 15.696 1.00 50.27 C ATOM 872 CZ2 TRP A 123 4.774 91.895 15.038 1.00 46.85 C ATOM 873 C TRP A 123 -0.772 90.005 11.076 1.00 58.74 C ATOM 874 O TRP A 123 -1.583 90.725 10.440 1.00 58.49 O ATOM 875 N LYS A 124 -1.046 88.787 11.544 1.00 61.61 N ATOM 876 CA LYS A 124 -2.382 88.146 11.444 1.00 64.40 C ATOM 877 CB LYS A 124 -2.348 86.756 12.083 1.00 69.21 C ATOM 878 CG LYS A 124 -1.559 85.722 11.295 1.00 76.76 C ATOM 879 CD LYS A 124 -1.511 84.361 11.961 1.00 89.39 C ATOM 880 CE LYS A 124 -1.549 83.213 10.972 1.00 95.57 C ATOM 881 NZ LYS A 124 -1.648 81.904 11.659 1.00100.29 N ATOM 882 C LYS A 124 -3.415 89.056 12.111 1.00 58.59 C ATOM 883 O LYS A 124 -3.206 89.425 13.275 1.00 59.58 O ATOM 884 N GLY A 125 -4.458 89.440 11.372 1.00 57.89 N ATOM 885 CA GLY A 125 -5.612 90.202 11.890 1.00 57.16 C ATOM 886 C GLY A 125 -5.447 91.698 11.703 1.00 58.09 C ATOM 887 O GLY A 125 -6.373 92.443 12.083 1.00 62.85 O ATOM 888 N TYR A 126 -4.313 92.130 11.145 1.00 58.96 N ATOM 889 CA TYR A 126 -3.996 93.559 10.882 1.00 58.96 C ATOM 890 CB TYR A 126 -2.955 94.058 11.890 1.00 54.93 C ATOM 891 CG TYR A 126 -3.482 94.108 13.295 1.00 51.24 C ATOM 892 CD1 TYR A 126 -4.141 95.228 13.768 1.00 52.04 C ATOM 893 CE1 TYR A 126 -4.661 95.271 15.051 1.00 52.57 C ATOM 894 CZ TYR A 126 -4.516 94.180 15.888 1.00 51.39 C ATOM 895 OH TYR A 126 -5.014 94.220 17.157 1.00 53.39 O ATOM 896 CE2 TYR A 126 -3.863 93.051 15.432 1.00 53.38 C ATOM 897 CD2 TYR A 126 -3.362 93.018 14.140 1.00 54.45 C ATOM 898 C TYR A 126 -3.576 93.697 9.417 1.00 63.73 C ATOM 899 O TYR A 126 -4.473 93.802 8.557 1.00 71.15 O ATOM 900 N GLY A 127 -2.270 93.645 9.145 1.00 61.30 N ATOM 901 CA GLY A 127 -1.707 93.787 7.794 1.00 65.12 C ATOM 902 C GLY A 127 -2.110 92.650 6.871 1.00 67.57 C ATOM 903 O GLY A 127 -2.380 92.942 5.698 1.00 72.12 O ATOM 904 N CYS A 128 -2.128 91.404 7.359 1.00 71.97 N ATOM 905 CA CYS A 128 -2.370 90.179 6.542 1.00 75.05 C ATOM 906 CB CYS A 128 -2.393 88.916 7.395 1.00 77.54 C ATOM 907 SG CYS A 128 -2.621 87.401 6.423 1.00 74.03 S ATOM 908 C CYS A 128 -3.700 90.305 5.789 1.00 82.28 C ATOM 909 O CYS A 128 -4.688 90.739 6.418 1.00 79.16 O ATOM 910 N SER A 129 -3.702 89.961 4.492 1.00 91.59 N ATOM 911 CA SER A 129 -4.877 89.992 3.574 1.00 92.42 C ATOM 912 CB SER A 129 -4.733 91.070 2.518 1.00 92.93 C ATOM 913 OG SER A 129 -4.864 92.368 3.079 1.00 97.12 O ATOM 914 C SER A 129 -5.070 88.621 2.910 1.00 93.93 C ATOM 915 O SER A 129 -5.656 88.580 1.813 1.00103.10 O ATOM 916 N CYS A 130 -4.609 87.542 3.551 1.00 89.28 N ATOM 917 CA CYS A 130 -4.620 86.160 2.996 1.00 89.97 C ATOM 918 CB CYS A 130 -3.607 85.270 3.710 1.00 90.44 C ATOM 919 SG CYS A 130 -1.888 85.594 3.231 1.00 94.30 S ATOM 920 C CYS A 130 -6.028 85.556 3.094 1.00 88.01 C ATOM 921 O CYS A 130 -6.831 85.920 3.951 1.00 91.55 O TER 922 CYS A 130 HETATM 923 ZN ZN A 201 13.423 89.360 22.948 1.00 45.52 ZN HETATM 924 ZN ZN A 202 -0.949 86.445 5.515 1.00 81.06 ZN HETATM 925 S DMS A 203 4.174 103.853 32.509 1.00 72.14 S HETATM 926 O DMS A 203 4.369 104.354 33.913 1.00 65.00 O HETATM 927 C1 DMS A 203 5.471 104.600 31.530 1.00 64.97 C HETATM 928 C2 DMS A 203 4.792 102.187 32.484 1.00 64.32 C HETATM 929 S DMS A 204 17.619 89.700 36.020 0.33 71.62 S HETATM 930 O DMS A 204 17.955 91.174 36.020 0.33 63.17 O HETATM 931 C1 DMS A 204 17.546 89.224 37.732 0.33 65.43 C HETATM 932 C2 DMS A 204 15.877 89.605 35.677 0.33 65.58 C HETATM 933 C1 DRG A 205 4.212 111.457 8.577 1.00 56.38 C HETATM 934 N1 DRG A 205 3.441 110.270 8.255 1.00 55.03 N HETATM 935 C2 DRG A 205 3.028 110.124 6.870 1.00 56.03 C HETATM 936 C3 DRG A 205 3.135 109.321 9.207 1.00 54.64 C HETATM 937 C4 DRG A 205 2.451 108.130 8.881 1.00 52.89 C HETATM 938 C5 DRG A 205 2.187 107.212 9.864 1.00 55.78 C HETATM 939 N2 DRG A 205 2.543 107.389 11.149 1.00 55.03 N HETATM 940 C6 DRG A 205 3.217 108.532 11.481 1.00 55.85 C HETATM 941 N3 DRG A 205 3.583 108.687 12.765 1.00 53.72 N HETATM 942 C7 DRG A 205 3.523 109.509 10.546 1.00 51.21 C HETATM 943 C1 GOL A 206 -0.483 87.029 39.429 1.00 73.85 C HETATM 944 O1 GOL A 206 -0.445 86.849 40.848 1.00 64.81 O HETATM 945 C2 GOL A 206 0.121 88.357 38.997 1.00 73.58 C HETATM 946 O2 GOL A 206 1.492 88.180 38.620 1.00 67.21 O HETATM 947 C3 GOL A 206 -0.646 89.070 37.887 1.00 69.33 C HETATM 948 O3 GOL A 206 -1.006 88.222 36.787 1.00 67.46 O HETATM 949 CL CL B 1 3.804 84.899 40.313 1.00 47.96 CL HETATM 950 CL CL B 2 0.213 95.334 10.327 1.00 63.85 CL HETATM 951 CL CL B 3 9.647 102.884 37.998 1.00 55.58 CL HETATM 952 O HOH S 2 12.476 100.497 30.951 1.00 38.18 O HETATM 953 O HOH S 3 9.272 105.241 33.574 1.00 40.69 O HETATM 954 O HOH S 4 8.825 93.540 41.444 1.00 44.13 O HETATM 955 O HOH S 5 2.282 97.234 2.894 1.00 55.50 O HETATM 956 O HOH S 6 4.664 98.947 25.035 1.00 40.36 O HETATM 957 O HOH S 7 14.029 97.356 30.081 1.00 38.93 O HETATM 958 O HOH S 8 13.475 92.219 5.705 1.00 50.28 O HETATM 959 O HOH S 9 6.719 91.177 23.626 1.00 43.34 O HETATM 960 O HOH S 11 -4.373 96.276 25.586 1.00 57.62 O HETATM 961 O HOH S 12 4.781 85.451 15.107 1.00 50.34 O HETATM 962 O HOH S 13 16.004 105.990 13.224 1.00 53.34 O HETATM 963 O HOH S 14 7.609 96.030 40.771 1.00 42.48 O HETATM 964 O HOH S 15 -4.287 92.926 28.106 1.00 47.04 O HETATM 965 O HOH S 16 15.110 83.915 32.940 1.00 59.16 O HETATM 966 O HOH S 17 16.177 83.381 25.876 1.00 51.48 O HETATM 967 O HOH S 18 16.936 95.114 18.419 1.00 43.86 O HETATM 968 O HOH S 19 7.122 89.317 22.022 1.00 60.24 O HETATM 969 O HOH S 20 8.947 99.885 42.268 1.00 52.72 O HETATM 970 O HOH S 21 -1.961 88.637 15.186 1.00 51.03 O HETATM 971 O HOH S 22 -6.539 92.245 34.546 1.00 48.47 O HETATM 972 O HOH S 23 7.754 89.666 8.873 1.00 50.44 O HETATM 973 O HOH S 24 8.063 110.170 8.382 1.00 51.81 O HETATM 974 O HOH S 25 2.626 93.503 9.237 1.00 51.63 O HETATM 975 O HOH S 26 -4.090 99.616 29.711 1.00 47.63 O HETATM 976 O HOH S 27 10.053 93.560 3.704 1.00 52.46 O HETATM 977 O HOH S 28 17.152 96.324 16.117 1.00 53.65 O HETATM 978 O HOH S 29 6.706 100.648 43.649 1.00 52.57 O HETATM 979 O HOH S 30 2.226 104.463 28.689 1.00 50.03 O HETATM 980 O HOH S 31 5.672 84.455 29.625 1.00 49.65 O HETATM 981 O HOH S 32 -3.044 101.684 12.064 1.00 62.08 O HETATM 982 O HOH S 33 7.383 103.375 23.609 1.00 52.61 O HETATM 983 O HOH S 34 4.988 85.017 25.007 1.00 58.21 O HETATM 984 O HOH S 35 8.451 104.984 13.122 1.00 48.67 O HETATM 985 O HOH S 36 7.205 107.880 11.951 1.00 56.35 O HETATM 986 O HOH S 37 17.669 91.461 27.853 1.00 62.28 O HETATM 987 O HOH S 38 15.174 95.513 25.274 1.00 47.38 O HETATM 988 O HOH S 39 2.588 84.451 37.371 1.00 51.56 O HETATM 989 O HOH S 40 -3.501 100.090 27.230 1.00 56.88 O HETATM 990 O HOH S 41 9.408 88.200 21.599 1.00 56.18 O HETATM 991 O HOH S 42 -2.443 98.421 25.447 1.00 52.78 O HETATM 992 O HOH S 43 8.435 106.597 25.053 1.00 58.16 O HETATM 993 O HOH S 44 7.404 83.739 31.880 1.00 62.73 O HETATM 994 O HOH S 46 9.920 97.410 41.375 1.00 44.89 O HETATM 995 O HOH S 47 10.356 111.729 8.070 1.00 51.85 O HETATM 996 O HOH S 48 10.845 112.832 10.484 1.00 45.86 O HETATM 997 O HOH S 49 9.832 110.991 12.376 1.00 45.49 O HETATM 998 O HOH S 50 9.373 85.457 34.523 1.00 46.68 O HETATM 999 O HOH S 51 -1.370 104.608 26.020 1.00 55.27 O HETATM 1000 O HOH S 53 -5.872 95.145 27.789 1.00 59.27 O HETATM 1001 O HOH S 54 15.566 98.359 25.111 1.00 49.14 O HETATM 1002 O HOH S 55 18.659 93.957 11.181 1.00 58.09 O HETATM 1003 O HOH S 56 0.683 102.305 2.974 1.00 58.94 O HETATM 1004 O HOH S 57 16.666 88.448 27.559 1.00 54.67 O HETATM 1005 O HOH S 58 3.052 103.366 2.128 1.00 54.58 O HETATM 1006 O HOH S 59 4.301 101.232 1.355 1.00 56.85 O HETATM 1007 O HOH S 60 15.800 97.955 20.108 1.00 44.24 O HETATM 1008 O HOH S 61 -2.396 95.570 21.134 1.00 46.74 O HETATM 1009 O HOH S 62 17.323 106.275 15.642 1.00 53.92 O HETATM 1010 O HOH S 63 12.223 104.409 5.716 1.00 53.21 O HETATM 1011 O HOH S 64 4.983 102.772 24.509 1.00 50.20 O HETATM 1012 O HOH S 65 12.983 103.262 34.558 1.00 55.10 O HETATM 1013 O HOH S 66 9.677 108.487 11.303 1.00 58.62 O HETATM 1014 O HOH S 67 16.094 87.793 16.064 1.00 52.52 O HETATM 1015 O HOH S 68 -1.412 95.398 23.988 1.00 57.76 O HETATM 1016 O HOH S 69 5.225 103.090 40.896 1.00 54.14 O HETATM 1017 O HOH S 70 -3.494 93.412 19.374 1.00 60.48 O HETATM 1018 O HOH S 71 16.936 98.371 22.514 1.00 58.72 O HETATM 1019 O HOH S 72 8.530 87.554 10.119 1.00 62.10 O HETATM 1020 O HOH S 73 7.042 102.951 42.443 1.00 57.83 O HETATM 1021 O HOH S 74 -3.130 85.473 29.498 1.00 64.48 O HETATM 1022 O HOH S 75 12.657 87.287 13.293 1.00 58.37 O HETATM 1023 O HOH S 76 1.910 85.814 24.925 1.00 67.75 O HETATM 1024 O HOH S 77 -0.932 84.993 28.418 1.00 67.08 O HETATM 1025 O HOH S 78 2.626 99.182 1.014 1.00 74.11 O HETATM 1026 O HOH S 79 4.987 105.632 24.053 1.00 60.19 O HETATM 1027 O HOH S 80 -5.263 91.823 20.908 1.00 71.83 O HETATM 1028 O HOH S 81 -4.550 89.898 18.366 1.00 69.45 O HETATM 1029 O HOH S 82 -7.061 90.219 32.615 1.00 71.38 O HETATM 1030 O HOH S 83 10.833 83.171 30.302 1.00 63.62 O HETATM 1031 O HOH S 84 17.355 89.532 24.963 1.00 65.90 O HETATM 1032 O HOH S 85 18.124 85.133 30.212 1.00 72.74 O HETATM 1033 O HOH S 86 -5.010 90.310 26.420 1.00 64.21 O HETATM 1034 O HOH S 89 11.669 95.567 41.949 0.33 43.51 O HETATM 1035 O HOH S 90 5.263 112.499 5.263 0.33 40.02 O HETATM 1036 O HOH S 91 -0.602 103.191 35.203 1.00 50.71 O HETATM 1037 O HOH S 92 8.967 103.161 6.289 1.00 52.31 O HETATM 1038 O HOH S 95 10.988 103.661 35.634 1.00 61.05 O HETATM 1039 O HOH S 97 -9.719 99.728 32.634 1.00 70.31 O HETATM 1040 O HOH S 98 10.986 101.964 5.035 1.00 54.08 O HETATM 1041 O HOH S 99 -1.039 97.781 6.891 1.00 59.01 O HETATM 1042 O HOH S 100 -1.216 97.610 9.384 1.00 57.09 O HETATM 1043 O HOH S 103 14.223 95.510 5.198 1.00 65.18 O HETATM 1044 O HOH S 104 4.265 87.726 18.897 1.00 54.98 O HETATM 1045 O HOH S 105 6.570 88.495 18.590 1.00 65.11 O END