USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot 157:sc= 0.312 USER MOD Set 1.2: A 10 CYS SG : rot -47:sc= -0.265 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= 0.905 USER MOD Set 1.4: A 31 CYS SG : rot 85:sc= -3.54! USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= -0.0897 USER MOD Set 2.2: A 29 ASN : amide:sc= -7.91! C(o=-8!,f=-9.4!) USER MOD Set 3.1: A 12 THR OG1 : rot -114:sc= 0.0126 USER MOD Set 3.2: A 14 THR OG1 : rot 14:sc= 0.919 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 78:sc= 1.19 USER MOD Single : A 9 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4.9!) USER MOD Single : A 11 GLN : amide:sc= -0.054 K(o=-0.054,f=-2.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -135:sc= 1.08 USER MOD Single : A 21 SER OG : rot 122:sc= -0.205 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= -4.18! (180deg=-7.44!) USER MOD Single : A 38 HIS : no HD1:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 41 ASN : amide:sc= -1.4 K(o=-1.4,f=-6.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 155:sc= -0.149 (180deg=-0.925) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.58! C(o=-2.6!,f=-3.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 55 ASN : amide:sc= -1.96 K(o=-2,f=-7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.686 9.691 14.396 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.306 9.121 15.625 1.00 0.00 C ATOM 1070 C ALA A 3 -8.817 8.962 15.432 1.00 0.00 C ATOM 1071 O ALA A 3 -9.546 9.928 15.330 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.044 10.065 16.800 1.00 0.00 C ATOM 0 HA ALA A 3 -6.870 8.142 15.825 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.495 9.655 17.704 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.969 10.173 16.947 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.481 11.041 16.587 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.295 7.745 15.402 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.761 7.517 15.238 1.00 0.00 C ATOM 1080 C GLY A 4 -11.147 7.583 13.759 1.00 0.00 C ATOM 1081 O GLY A 4 -12.254 7.248 13.386 1.00 0.00 O ATOM 0 H GLY A 4 -8.732 6.898 15.484 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.033 6.545 15.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.318 8.267 15.800 1.00 0.00 H new ATOM 1085 N THR A 5 -10.257 8.026 12.915 1.00 0.00 N ATOM 1086 CA THR A 5 -10.597 8.126 11.468 1.00 0.00 C ATOM 1087 C THR A 5 -10.885 6.741 10.898 1.00 0.00 C ATOM 1088 O THR A 5 -10.040 5.867 10.896 1.00 0.00 O ATOM 1089 CB THR A 5 -9.433 8.741 10.701 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.995 9.909 11.376 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.880 9.110 9.280 1.00 0.00 C ATOM 0 H THR A 5 -9.313 8.322 13.163 1.00 0.00 H new ATOM 0 HA THR A 5 -11.481 8.755 11.364 1.00 0.00 H new ATOM 0 HB THR A 5 -8.618 8.020 10.643 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.245 10.307 10.887 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.043 9.549 8.738 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.219 8.213 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.697 9.830 9.331 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.068 6.558 10.382 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.457 5.260 9.755 1.00 0.00 C ATOM 1101 C VAL A 6 -12.813 5.570 8.307 1.00 0.00 C ATOM 1102 O VAL A 6 -13.394 6.599 8.024 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.676 4.670 10.474 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.292 4.263 11.897 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.795 5.715 10.528 1.00 0.00 C ATOM 0 H VAL A 6 -12.799 7.269 10.368 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.647 4.534 9.820 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.022 3.792 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.162 3.845 12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.499 3.516 11.860 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.941 5.138 12.443 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.661 5.295 11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.446 6.594 11.069 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.075 6.000 9.514 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.476 4.726 7.381 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.813 5.039 5.969 1.00 0.00 C ATOM 1117 C CYS A 7 -14.321 5.109 5.801 1.00 0.00 C ATOM 1118 O CYS A 7 -15.032 4.144 5.997 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.248 3.960 5.058 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.686 4.332 3.341 1.00 0.00 S ATOM 0 H CYS A 7 -11.988 3.844 7.535 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.378 6.003 5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.165 3.909 5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.643 2.985 5.343 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.846 3.744 2.542 1.00 0.00 H new ATOM 1125 N SER A 8 -14.810 6.251 5.434 1.00 0.00 N ATOM 1126 CA SER A 8 -16.266 6.405 5.241 1.00 0.00 C ATOM 1127 C SER A 8 -16.731 5.432 4.160 1.00 0.00 C ATOM 1128 O SER A 8 -17.796 4.853 4.251 1.00 0.00 O ATOM 1129 CB SER A 8 -16.573 7.836 4.798 1.00 0.00 C ATOM 1130 OG SER A 8 -16.154 8.743 5.809 1.00 0.00 O ATOM 0 H SER A 8 -14.258 7.091 5.258 1.00 0.00 H new ATOM 0 HA SER A 8 -16.785 6.195 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.061 8.056 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.641 7.950 4.612 1.00 0.00 H new ATOM 0 HG SER A 8 -15.181 8.853 5.767 1.00 0.00 H new ATOM 1136 N ASN A 9 -15.959 5.272 3.112 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.391 4.363 2.014 1.00 0.00 C ATOM 1138 C ASN A 9 -16.283 2.884 2.399 1.00 0.00 C ATOM 1139 O ASN A 9 -17.142 2.110 2.026 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.507 4.619 0.793 1.00 0.00 C ATOM 1141 CG ASN A 9 -15.900 5.943 0.133 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.318 6.335 -0.858 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -16.866 6.654 0.645 1.00 0.00 N ATOM 0 H ASN A 9 -15.057 5.729 2.973 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.439 4.573 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.459 4.649 1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.612 3.802 0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.132 7.539 0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.355 6.325 1.477 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.243 2.446 3.102 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.154 0.976 3.429 1.00 0.00 C ATOM 1152 C CYS A 10 -14.824 0.721 4.908 1.00 0.00 C ATOM 1153 O CYS A 10 -14.548 -0.396 5.289 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.140 0.273 2.504 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.432 0.653 2.974 1.00 0.00 S ATOM 0 H CYS A 10 -14.479 3.025 3.451 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.141 0.548 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.297 -0.805 2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.312 0.583 1.473 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.306 1.934 3.153 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.913 1.715 5.756 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.683 1.495 7.223 1.00 0.00 C ATOM 1162 C GLN A 11 -13.253 1.032 7.560 1.00 0.00 C ATOM 1163 O GLN A 11 -12.937 0.837 8.716 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.693 0.449 7.722 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.819 0.506 9.249 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.999 -0.361 9.691 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.804 -0.771 8.877 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.139 -0.658 10.953 1.00 0.00 N ATOM 0 H GLN A 11 -15.136 2.676 5.497 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.819 2.455 7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.666 0.628 7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.375 -0.547 7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.899 0.153 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.967 1.535 9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.464 -0.314 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.924 -1.234 11.257 1.00 0.00 H new ATOM 1177 N THR A 12 -12.376 0.848 6.612 1.00 0.00 N ATOM 1178 CA THR A 12 -11.004 0.397 7.005 1.00 0.00 C ATOM 1179 C THR A 12 -10.353 1.480 7.874 1.00 0.00 C ATOM 1180 O THR A 12 -10.604 2.654 7.681 1.00 0.00 O ATOM 1181 CB THR A 12 -10.140 0.122 5.760 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.912 -0.459 6.172 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.849 1.414 4.988 1.00 0.00 C ATOM 0 H THR A 12 -12.537 0.984 5.614 1.00 0.00 H new ATOM 0 HA THR A 12 -11.081 -0.532 7.570 1.00 0.00 H new ATOM 0 HB THR A 12 -10.686 -0.555 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.177 0.160 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.237 1.186 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.788 1.865 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.315 2.111 5.634 1.00 0.00 H new ATOM 1191 N SER A 13 -9.502 1.104 8.811 1.00 0.00 N ATOM 1192 CA SER A 13 -8.816 2.136 9.673 1.00 0.00 C ATOM 1193 C SER A 13 -7.345 2.193 9.271 1.00 0.00 C ATOM 1194 O SER A 13 -6.602 3.057 9.691 1.00 0.00 O ATOM 1195 CB SER A 13 -8.950 1.773 11.153 1.00 0.00 C ATOM 1196 OG SER A 13 -8.212 0.588 11.413 1.00 0.00 O ATOM 0 H SER A 13 -9.254 0.136 9.015 1.00 0.00 H new ATOM 0 HA SER A 13 -9.281 3.111 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.581 2.589 11.774 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.999 1.626 11.410 1.00 0.00 H new ATOM 0 HG SER A 13 -8.294 0.353 12.361 1.00 0.00 H new ATOM 1202 N THR A 14 -6.934 1.285 8.429 1.00 0.00 N ATOM 1203 CA THR A 14 -5.525 1.269 7.945 1.00 0.00 C ATOM 1204 C THR A 14 -5.512 1.828 6.528 1.00 0.00 C ATOM 1205 O THR A 14 -6.175 1.316 5.647 1.00 0.00 O ATOM 1206 CB THR A 14 -5.013 -0.170 7.935 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.740 -0.929 6.979 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.199 -0.775 9.323 1.00 0.00 C ATOM 0 H THR A 14 -7.523 0.543 8.051 1.00 0.00 H new ATOM 0 HA THR A 14 -4.886 1.868 8.594 1.00 0.00 H new ATOM 0 HB THR A 14 -3.956 -0.182 7.669 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.245 -0.324 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.836 -1.803 9.324 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.638 -0.191 10.053 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.257 -0.764 9.586 1.00 0.00 H new ATOM 1216 N THR A 15 -4.772 2.876 6.299 1.00 0.00 N ATOM 1217 CA THR A 15 -4.735 3.472 4.932 1.00 0.00 C ATOM 1218 C THR A 15 -3.341 4.014 4.653 1.00 0.00 C ATOM 1219 O THR A 15 -2.670 4.508 5.537 1.00 0.00 O ATOM 1220 CB THR A 15 -5.726 4.638 4.870 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.122 5.795 5.435 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.971 4.288 5.672 1.00 0.00 C ATOM 0 H THR A 15 -4.193 3.345 6.995 1.00 0.00 H new ATOM 0 HA THR A 15 -4.994 2.710 4.197 1.00 0.00 H new ATOM 0 HB THR A 15 -5.999 4.829 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.758 6.235 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.677 5.117 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.434 3.395 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.695 4.101 6.710 1.00 0.00 H new ATOM 1230 N THR A 16 -2.906 3.964 3.426 1.00 0.00 N ATOM 1231 CA THR A 16 -1.568 4.520 3.117 1.00 0.00 C ATOM 1232 C THR A 16 -1.688 6.041 3.140 1.00 0.00 C ATOM 1233 O THR A 16 -0.835 6.733 3.659 1.00 0.00 O ATOM 1234 CB THR A 16 -1.101 4.060 1.735 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.947 4.620 0.741 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.132 2.530 1.631 1.00 0.00 C ATOM 0 H THR A 16 -3.414 3.567 2.635 1.00 0.00 H new ATOM 0 HA THR A 16 -0.839 4.174 3.850 1.00 0.00 H new ATOM 0 HB THR A 16 -0.075 4.397 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.648 4.328 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.796 2.226 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.473 2.101 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.150 2.175 1.794 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.765 6.570 2.608 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.960 8.053 2.633 1.00 0.00 C ATOM 1246 C LEU A 17 -4.454 8.346 2.810 1.00 0.00 C ATOM 1247 O LEU A 17 -5.285 7.818 2.097 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.437 8.693 1.326 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.867 10.092 1.617 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.456 9.971 2.251 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.795 10.903 0.307 1.00 0.00 C ATOM 0 H LEU A 17 -3.513 6.041 2.160 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.398 8.482 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.666 8.061 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.245 8.765 0.598 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.521 10.607 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.061 10.967 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.523 9.411 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.209 9.450 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.391 11.894 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.148 10.389 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.795 11.000 -0.116 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.801 9.190 3.744 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.234 9.530 3.966 1.00 0.00 C ATOM 1265 C TRP A 18 -6.664 10.590 2.948 1.00 0.00 C ATOM 1266 O TRP A 18 -6.003 11.596 2.785 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.385 10.125 5.369 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.288 9.048 6.403 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.238 8.855 7.233 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.266 8.023 6.737 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.511 7.777 8.056 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.748 7.232 7.790 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.540 7.706 6.236 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.469 6.164 8.326 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.266 6.632 6.773 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.732 5.865 7.815 1.00 0.00 C ATOM 0 H TRP A 18 -4.146 9.662 4.368 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.846 8.635 3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.611 10.873 5.539 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.345 10.635 5.454 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.334 9.446 7.251 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.874 7.428 8.772 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.963 8.292 5.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.053 5.574 9.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.244 6.396 6.380 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.298 5.041 8.224 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.762 10.379 2.265 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.237 11.382 1.259 1.00 0.00 C ATOM 1289 C ARG A 19 -9.549 11.994 1.762 1.00 0.00 C ATOM 1290 O ARG A 19 -10.548 11.315 1.860 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.507 10.682 -0.092 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.424 9.644 -0.386 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.098 10.341 -0.665 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.157 9.350 -1.252 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.051 9.742 -1.817 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.710 10.995 -1.800 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.279 8.874 -2.393 1.00 0.00 N ATOM 0 H ARG A 19 -8.352 9.553 2.361 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.477 12.152 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.484 10.199 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.536 11.422 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.317 8.967 0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.713 9.037 -1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.246 11.175 -1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.687 10.754 0.256 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.380 8.355 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.310 11.681 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.842 11.293 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.539 7.888 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.412 9.178 -2.836 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.585 13.253 2.085 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.873 13.829 2.566 1.00 0.00 C ATOM 1313 C ARG A 20 -11.766 14.097 1.347 1.00 0.00 C ATOM 1314 O ARG A 20 -11.782 15.191 0.823 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.608 15.156 3.287 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.882 15.617 4.019 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.990 14.944 5.393 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.041 15.636 6.195 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.513 15.072 7.272 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -13.086 13.895 7.628 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.415 15.683 7.992 1.00 0.00 N ATOM 0 H ARG A 20 -8.797 13.900 2.040 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.356 13.135 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.792 15.036 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.296 15.914 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.867 16.700 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.760 15.375 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.240 13.889 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.032 14.989 5.910 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.390 16.548 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.383 13.416 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.454 13.452 8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.752 16.604 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.782 15.239 8.834 1.00 0.00 H new ATOM 1335 N SER A 21 -12.451 13.086 0.859 1.00 0.00 N ATOM 1336 CA SER A 21 -13.308 13.226 -0.370 1.00 0.00 C ATOM 1337 C SER A 21 -13.916 14.642 -0.524 1.00 0.00 C ATOM 1338 O SER A 21 -14.054 15.378 0.432 1.00 0.00 O ATOM 1339 CB SER A 21 -14.435 12.178 -0.304 1.00 0.00 C ATOM 1340 OG SER A 21 -15.663 12.761 -0.730 1.00 0.00 O ATOM 0 H SER A 21 -12.453 12.151 1.268 1.00 0.00 H new ATOM 0 HA SER A 21 -12.673 13.065 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.188 11.325 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.535 11.802 0.714 1.00 0.00 H new ATOM 0 HG SER A 21 -16.018 12.256 -1.492 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.273 15.015 -1.750 1.00 0.00 N ATOM 1347 CA PRO A 22 -14.856 16.366 -2.037 1.00 0.00 C ATOM 1348 C PRO A 22 -16.088 16.716 -1.183 1.00 0.00 C ATOM 1349 O PRO A 22 -16.486 17.861 -1.103 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.259 16.245 -3.529 1.00 0.00 C ATOM 1351 CG PRO A 22 -14.964 14.811 -4.005 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.118 14.117 -2.936 1.00 0.00 C ATOM 0 HA PRO A 22 -14.146 17.161 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.317 16.475 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.703 16.965 -4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.894 14.266 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.434 14.828 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.477 13.109 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.075 14.028 -3.241 1.00 0.00 H new ATOM 1360 N MET A 23 -16.703 15.744 -0.558 1.00 0.00 N ATOM 1361 CA MET A 23 -17.915 16.034 0.269 1.00 0.00 C ATOM 1362 C MET A 23 -17.499 16.242 1.720 1.00 0.00 C ATOM 1363 O MET A 23 -18.240 16.781 2.519 1.00 0.00 O ATOM 1364 CB MET A 23 -18.883 14.855 0.180 1.00 0.00 C ATOM 1365 CG MET A 23 -19.471 14.776 -1.231 1.00 0.00 C ATOM 1366 SD MET A 23 -20.616 13.377 -1.327 1.00 0.00 S ATOM 1367 CE MET A 23 -21.094 13.583 -3.060 1.00 0.00 C ATOM 0 H MET A 23 -16.420 14.764 -0.584 1.00 0.00 H new ATOM 0 HA MET A 23 -18.404 16.935 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.364 13.927 0.421 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.682 14.972 0.912 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.991 15.703 -1.473 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.673 14.658 -1.964 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.810 12.808 -3.335 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.550 14.564 -3.198 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.211 13.501 -3.693 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.313 15.819 2.070 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.831 15.991 3.472 1.00 0.00 C ATOM 1379 C GLY A 24 -15.959 14.674 4.243 1.00 0.00 C ATOM 1380 O GLY A 24 -15.910 14.660 5.457 1.00 0.00 O ATOM 0 H GLY A 24 -15.654 15.359 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.791 16.319 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.409 16.769 3.970 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.117 13.559 3.567 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.243 12.254 4.283 1.00 0.00 C ATOM 1386 C ASP A 25 -14.872 11.531 4.279 1.00 0.00 C ATOM 1387 O ASP A 25 -14.331 11.276 3.222 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.253 11.389 3.526 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.538 12.188 3.310 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.683 13.220 3.944 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.357 11.754 2.517 1.00 0.00 O ATOM 0 H ASP A 25 -16.164 13.500 2.550 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.568 12.420 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.838 11.079 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.466 10.481 4.089 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.295 11.195 5.425 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.970 10.498 5.427 1.00 0.00 C ATOM 1398 C PRO A 26 -12.986 9.174 4.637 1.00 0.00 C ATOM 1399 O PRO A 26 -13.870 8.361 4.801 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.719 10.242 6.934 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.867 10.878 7.743 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.893 11.474 6.765 1.00 0.00 C ATOM 0 HA PRO A 26 -12.194 11.089 4.941 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.666 9.171 7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.763 10.669 7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.341 10.129 8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.479 11.655 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.871 11.006 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.031 12.543 6.929 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.992 8.945 3.810 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.929 7.649 3.043 1.00 0.00 C ATOM 1412 C VAL A 27 -10.482 7.162 2.958 1.00 0.00 C ATOM 1413 O VAL A 27 -9.552 7.928 3.122 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.471 7.819 1.622 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.991 7.976 1.666 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.814 9.039 0.966 1.00 0.00 C ATOM 0 H VAL A 27 -11.224 9.592 3.631 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.543 6.921 3.573 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.234 6.936 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.374 8.097 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.435 7.089 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.249 8.854 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.200 9.160 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.040 9.932 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.734 8.894 0.928 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.273 5.898 2.674 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.880 5.386 2.545 1.00 0.00 C ATOM 1428 C CYS A 28 -8.368 5.653 1.119 1.00 0.00 C ATOM 1429 O CYS A 28 -9.134 5.795 0.187 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.825 3.886 2.894 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.613 2.868 1.615 1.00 0.00 S ATOM 0 H CYS A 28 -11.007 5.205 2.527 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.231 5.908 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.786 3.579 3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.321 3.717 3.850 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.553 2.148 2.152 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.078 5.755 0.962 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.474 6.053 -0.378 1.00 0.00 C ATOM 1438 C ASN A 29 -7.111 5.217 -1.493 1.00 0.00 C ATOM 1439 O ASN A 29 -7.279 5.686 -2.601 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.982 5.711 -0.315 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.307 6.044 -1.648 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.934 6.016 -2.689 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.036 6.334 -1.662 1.00 0.00 N ATOM 0 H ASN A 29 -6.400 5.643 1.716 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.643 7.106 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.507 6.270 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.853 4.653 -0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.569 6.537 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.509 6.358 -0.789 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.439 3.992 -1.240 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.027 3.165 -2.330 1.00 0.00 C ATOM 1452 C ALA A 30 -9.452 3.629 -2.681 1.00 0.00 C ATOM 1453 O ALA A 30 -9.787 3.792 -3.839 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.032 1.704 -1.891 1.00 0.00 C ATOM 0 H ALA A 30 -7.330 3.525 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.421 3.280 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.461 1.088 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.010 1.380 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.629 1.598 -0.985 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.300 3.817 -1.705 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.705 4.239 -2.006 1.00 0.00 C ATOM 1462 C CYS A 31 -11.727 5.588 -2.717 1.00 0.00 C ATOM 1463 O CYS A 31 -12.497 5.800 -3.620 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.503 4.391 -0.711 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.934 2.776 -0.038 1.00 0.00 S ATOM 0 H CYS A 31 -10.085 3.698 -0.715 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.144 3.471 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.918 4.951 0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.410 4.965 -0.901 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.949 2.330 0.684 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.923 6.515 -2.301 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.962 7.846 -2.957 1.00 0.00 C ATOM 1472 C GLY A 32 -10.690 7.693 -4.450 1.00 0.00 C ATOM 1473 O GLY A 32 -11.436 8.172 -5.281 1.00 0.00 O ATOM 0 H GLY A 32 -10.247 6.414 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.936 8.310 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.219 8.505 -2.508 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.631 7.026 -4.796 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.311 6.838 -6.233 1.00 0.00 C ATOM 1479 C LEU A 33 -10.399 5.998 -6.899 1.00 0.00 C ATOM 1480 O LEU A 33 -10.888 6.326 -7.960 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.970 6.122 -6.339 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.874 7.018 -5.742 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.590 6.198 -5.542 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.605 8.224 -6.674 1.00 0.00 C ATOM 0 H LEU A 33 -8.971 6.601 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.259 7.805 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.009 5.171 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.745 5.897 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.206 7.397 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.814 6.835 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.790 5.369 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.255 5.807 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.827 8.852 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.280 7.864 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.519 8.806 -6.788 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.779 4.911 -6.292 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.827 4.050 -6.901 1.00 0.00 C ATOM 1498 C TYR A 34 -13.116 4.854 -7.064 1.00 0.00 C ATOM 1499 O TYR A 34 -13.799 4.763 -8.064 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.093 2.859 -5.974 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.146 1.964 -6.577 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.498 2.320 -6.507 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.767 0.778 -7.216 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.468 1.492 -7.080 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.737 -0.053 -7.785 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.089 0.305 -7.717 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.049 -0.511 -8.281 1.00 0.00 O ATOM 0 H TYR A 34 -10.409 4.581 -5.400 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.491 3.697 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.172 2.297 -5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.421 3.214 -4.997 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.792 3.233 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.724 0.504 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.511 1.769 -7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.444 -0.969 -8.276 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.618 -1.294 -8.684 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.462 5.616 -6.067 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.718 6.412 -6.120 1.00 0.00 C ATOM 1519 C TYR A 35 -14.609 7.537 -7.160 1.00 0.00 C ATOM 1520 O TYR A 35 -15.496 7.747 -7.944 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.981 7.010 -4.731 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.433 7.407 -4.618 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.854 8.631 -5.136 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.354 6.549 -3.999 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.200 9.007 -5.038 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.699 6.922 -3.900 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.124 8.152 -4.420 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.451 8.523 -4.323 1.00 0.00 O ATOM 0 H TYR A 35 -12.922 5.723 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.542 5.761 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.731 6.284 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.342 7.879 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.143 9.289 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.025 5.601 -3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.526 9.956 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.409 6.263 -3.423 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.956 7.817 -3.868 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.545 8.272 -7.177 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.433 9.380 -8.175 1.00 0.00 C ATOM 1540 C LYS A 36 -13.515 8.824 -9.602 1.00 0.00 C ATOM 1541 O LYS A 36 -14.140 9.405 -10.466 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.086 10.074 -7.976 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.916 11.210 -8.985 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.619 11.970 -8.676 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.415 11.021 -8.761 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.226 10.359 -7.440 1.00 0.00 N ATOM 0 H LYS A 36 -12.747 8.163 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.251 10.086 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.019 10.467 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.277 9.352 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.885 10.810 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.769 11.887 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.494 12.792 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.675 12.410 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.579 10.273 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.518 11.575 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.283 10.590 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.952 10.696 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.311 9.329 -7.553 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.882 7.720 -9.860 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.911 7.139 -11.236 1.00 0.00 C ATOM 1562 C LEU A 37 -14.305 6.582 -11.588 1.00 0.00 C ATOM 1563 O LEU A 37 -14.745 6.709 -12.714 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.852 6.021 -11.318 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.492 6.588 -11.769 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.044 7.731 -10.847 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.448 5.470 -11.720 1.00 0.00 C ATOM 0 H LEU A 37 -12.342 7.188 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.688 7.925 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.747 5.542 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.181 5.253 -12.018 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.592 6.976 -12.783 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.082 8.115 -11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.784 8.531 -10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.948 7.359 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.481 5.861 -12.037 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.369 5.090 -10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.749 4.662 -12.386 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.987 5.934 -10.665 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.334 5.337 -10.994 1.00 0.00 C ATOM 1581 C HIS A 38 -17.458 5.934 -10.137 1.00 0.00 C ATOM 1582 O HIS A 38 -18.604 5.560 -10.283 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.262 3.830 -10.751 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.210 3.246 -11.649 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.519 2.687 -12.876 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.846 3.154 -11.527 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.368 2.289 -13.442 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.315 2.550 -12.663 1.00 0.00 N ATOM 0 H HIS A 38 -14.674 5.792 -9.705 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.564 5.561 -12.035 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.023 3.627 -9.707 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.229 3.368 -10.952 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.272 3.498 -10.679 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.302 1.815 -14.410 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.334 2.350 -12.858 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.165 6.859 -9.264 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.215 7.498 -8.407 1.00 0.00 C ATOM 1598 C GLN A 39 -19.314 6.517 -7.963 1.00 0.00 C ATOM 1599 O GLN A 39 -20.478 6.856 -7.908 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.792 8.726 -9.123 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.608 8.308 -10.356 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.240 9.549 -10.990 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.696 10.633 -10.908 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.374 9.436 -11.627 1.00 0.00 N ATOM 0 H GLN A 39 -16.221 7.209 -9.103 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.735 7.823 -7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.425 9.288 -8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.982 9.390 -9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.965 7.804 -11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.383 7.597 -10.069 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.831 8.527 -11.697 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.802 10.257 -12.055 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.938 5.320 -7.579 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.930 4.329 -7.070 1.00 0.00 C ATOM 1615 C VAL A 40 -19.325 3.616 -5.858 1.00 0.00 C ATOM 1616 O VAL A 40 -18.122 3.536 -5.711 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.275 3.302 -8.146 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.110 3.962 -9.251 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.993 2.707 -8.737 1.00 0.00 C ATOM 0 H VAL A 40 -17.974 4.987 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.846 4.850 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.858 2.499 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.352 3.223 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.032 4.357 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.540 4.775 -9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.251 1.976 -9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.394 3.502 -9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.421 2.219 -7.948 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.148 3.109 -4.984 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.619 2.415 -3.767 1.00 0.00 C ATOM 1631 C ASN A 41 -19.288 0.955 -4.096 1.00 0.00 C ATOM 1632 O ASN A 41 -20.077 0.255 -4.700 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.675 2.461 -2.659 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.014 1.960 -3.203 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.108 1.554 -4.344 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.064 1.974 -2.428 1.00 0.00 N ATOM 0 H ASN A 41 -21.165 3.143 -5.056 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.712 2.919 -3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.360 1.845 -1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.781 3.480 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.963 1.644 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.986 2.315 -1.470 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.113 0.491 -3.717 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.713 -0.924 -4.021 1.00 0.00 C ATOM 1645 C ARG A 42 -17.801 -1.801 -2.749 1.00 0.00 C ATOM 1646 O ARG A 42 -17.575 -1.319 -1.656 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.259 -0.930 -4.515 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.340 -0.321 -3.443 1.00 0.00 C ATOM 1649 CD ARG A 42 -13.882 -0.239 -3.963 1.00 0.00 C ATOM 1650 NE ARG A 42 -12.934 -0.787 -2.936 1.00 0.00 N ATOM 1651 CZ ARG A 42 -13.023 -0.443 -1.677 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -13.877 0.469 -1.304 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.235 -0.992 -0.794 1.00 0.00 N ATOM 0 H ARG A 42 -17.415 1.034 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.386 -1.325 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.946 -1.950 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.178 -0.362 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.694 0.675 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.376 -0.927 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.787 -0.801 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.626 0.796 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.206 -1.440 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.479 0.917 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.943 0.734 -0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.550 -1.689 -1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.304 -0.724 0.188 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.090 -3.086 -2.883 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.151 -3.998 -1.699 1.00 0.00 C ATOM 1669 C PRO A 43 -16.792 -4.120 -0.986 1.00 0.00 C ATOM 1670 O PRO A 43 -15.747 -3.953 -1.583 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.567 -5.343 -2.329 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.418 -5.218 -3.851 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.387 -3.725 -4.202 1.00 0.00 C ATOM 0 HA PRO A 43 -18.834 -3.641 -0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.942 -6.151 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.596 -5.586 -2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.504 -5.708 -4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.248 -5.712 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.621 -3.499 -4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.338 -3.385 -4.612 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.811 -4.411 0.284 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.538 -4.553 1.053 1.00 0.00 C ATOM 1683 C LEU A 44 -14.730 -5.757 0.538 1.00 0.00 C ATOM 1684 O LEU A 44 -13.845 -6.247 1.213 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.885 -4.752 2.542 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.936 -3.398 3.253 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.027 -2.520 2.629 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.239 -3.607 4.744 1.00 0.00 C ATOM 0 H LEU A 44 -17.660 -4.558 0.829 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.932 -3.656 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.846 -5.258 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.141 -5.393 3.015 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.971 -2.904 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.057 -1.558 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.808 -2.363 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.993 -3.014 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.275 -2.641 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.201 -4.108 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.457 -4.221 5.192 1.00 0.00 H new ATOM 1700 N THR A 45 -15.011 -6.236 -0.642 1.00 0.00 N ATOM 1701 CA THR A 45 -14.240 -7.398 -1.169 1.00 0.00 C ATOM 1702 C THR A 45 -12.773 -6.991 -1.355 1.00 0.00 C ATOM 1703 O THR A 45 -11.900 -7.829 -1.466 1.00 0.00 O ATOM 1704 CB THR A 45 -14.836 -7.847 -2.512 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.254 -9.085 -2.896 1.00 0.00 O ATOM 1706 CG2 THR A 45 -14.558 -6.797 -3.590 1.00 0.00 C ATOM 0 H THR A 45 -15.737 -5.876 -1.262 1.00 0.00 H new ATOM 0 HA THR A 45 -14.297 -8.226 -0.463 1.00 0.00 H new ATOM 0 HB THR A 45 -15.914 -7.965 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.634 -9.374 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.985 -7.126 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.009 -5.848 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.482 -6.668 -3.703 1.00 0.00 H new ATOM 1714 N MET A 46 -12.497 -5.709 -1.400 1.00 0.00 N ATOM 1715 CA MET A 46 -11.081 -5.245 -1.588 1.00 0.00 C ATOM 1716 C MET A 46 -10.496 -4.817 -0.240 1.00 0.00 C ATOM 1717 O MET A 46 -9.323 -4.520 -0.128 1.00 0.00 O ATOM 1718 CB MET A 46 -11.058 -4.054 -2.548 1.00 0.00 C ATOM 1719 CG MET A 46 -11.570 -4.497 -3.920 1.00 0.00 C ATOM 1720 SD MET A 46 -11.285 -3.182 -5.136 1.00 0.00 S ATOM 1721 CE MET A 46 -9.483 -3.337 -5.260 1.00 0.00 C ATOM 0 H MET A 46 -13.188 -4.964 -1.315 1.00 0.00 H new ATOM 0 HA MET A 46 -10.487 -6.061 -2.000 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.679 -3.247 -2.159 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.044 -3.662 -2.635 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.061 -5.409 -4.231 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.634 -4.729 -3.864 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.151 -2.962 -6.228 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.012 -2.757 -4.466 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.200 -4.385 -5.160 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.307 -4.773 0.778 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.808 -4.355 2.119 1.00 0.00 C ATOM 1733 C ARG A 47 -10.118 -5.527 2.824 1.00 0.00 C ATOM 1734 O ARG A 47 -10.651 -6.615 2.916 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.986 -3.856 2.960 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.528 -3.562 4.391 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.687 -2.935 5.156 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.272 -2.656 6.573 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.888 -3.612 7.377 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -12.002 -4.861 7.021 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.431 -3.317 8.564 1.00 0.00 N ATOM 0 H ARG A 47 -12.299 -5.009 0.740 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.080 -3.553 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.406 -2.955 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.778 -4.605 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.205 -4.481 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.672 -2.887 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.997 -2.010 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.547 -3.605 5.145 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.290 -1.696 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.393 -5.098 6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.700 -5.601 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.375 -2.343 8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.130 -4.061 9.194 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.936 -5.294 3.336 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.179 -6.359 4.064 1.00 0.00 C ATOM 1757 C LYS A 48 -7.685 -5.769 5.390 1.00 0.00 C ATOM 1758 O LYS A 48 -7.462 -4.579 5.492 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.988 -6.805 3.215 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.320 -8.027 3.859 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.095 -8.463 3.030 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.527 -9.375 1.874 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.368 -9.597 0.963 1.00 0.00 N ATOM 0 H LYS A 48 -8.455 -4.396 3.280 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.817 -7.222 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.320 -7.050 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.269 -5.991 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.013 -7.788 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.034 -8.848 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.583 -7.585 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.384 -8.987 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.887 -10.328 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.353 -8.921 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.657 -10.215 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.044 -8.684 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.593 -10.047 1.491 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.545 -6.576 6.411 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.100 -6.044 7.737 1.00 0.00 C ATOM 1779 C ASP A 49 -5.976 -5.011 7.565 1.00 0.00 C ATOM 1780 O ASP A 49 -6.217 -3.820 7.535 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.606 -7.200 8.614 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.354 -6.691 10.034 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.112 -5.505 10.185 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.407 -7.498 10.949 1.00 0.00 O ATOM 0 H ASP A 49 -7.719 -7.581 6.385 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.948 -5.554 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.345 -8.001 8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.690 -7.620 8.199 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.751 -5.452 7.481 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.613 -4.495 7.347 1.00 0.00 C ATOM 1791 C GLY A 50 -3.532 -3.925 5.928 1.00 0.00 C ATOM 1792 O GLY A 50 -4.392 -4.149 5.098 1.00 0.00 O ATOM 0 H GLY A 50 -4.487 -6.437 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.733 -3.681 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.679 -5.000 7.593 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.483 -3.191 5.653 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.294 -2.594 4.305 1.00 0.00 C ATOM 1798 C ILE A 51 -1.500 -3.563 3.429 1.00 0.00 C ATOM 1799 O ILE A 51 -0.563 -4.195 3.873 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.519 -1.284 4.447 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.254 -0.380 5.448 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.415 -0.580 3.085 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.726 1.051 5.351 1.00 0.00 C ATOM 0 H ILE A 51 -1.740 -2.980 6.320 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.263 -2.401 3.845 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.511 -1.492 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.325 -0.395 5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.116 -0.759 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.861 0.352 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.895 -1.228 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.415 -0.364 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.254 1.683 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.660 1.061 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.887 1.431 4.342 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.857 -3.662 2.183 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.112 -4.565 1.265 1.00 0.00 C ATOM 1817 C GLN A 52 0.160 -3.846 0.809 1.00 0.00 C ATOM 1818 O GLN A 52 0.216 -2.634 0.791 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.991 -4.913 0.061 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.259 -5.629 0.544 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.278 -4.595 1.038 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.625 -4.573 2.203 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.770 -3.729 0.193 1.00 0.00 N ATOM 0 H GLN A 52 -2.634 -3.156 1.758 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.846 -5.491 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.257 -4.007 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.442 -5.551 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.687 -6.218 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.013 -6.324 1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.479 -3.748 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.446 -3.034 0.510 1.00 0.00 H new ATOM 1832 N THR A 53 1.197 -4.573 0.472 1.00 0.00 N ATOM 1833 CA THR A 53 2.475 -3.909 0.045 1.00 0.00 C ATOM 1834 C THR A 53 3.082 -4.633 -1.158 1.00 0.00 C ATOM 1835 O THR A 53 2.743 -5.759 -1.468 1.00 0.00 O ATOM 1836 CB THR A 53 3.469 -3.925 1.206 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.794 -3.846 0.698 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.296 -5.213 2.002 1.00 0.00 C ATOM 0 H THR A 53 1.217 -5.593 0.473 1.00 0.00 H new ATOM 0 HA THR A 53 2.257 -2.880 -0.241 1.00 0.00 H new ATOM 0 HB THR A 53 3.284 -3.071 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.431 -3.855 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.004 -5.227 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.280 -5.266 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.480 -6.069 1.353 1.00 0.00 H new ATOM 1846 N ARG A 54 3.977 -3.972 -1.839 1.00 0.00 N ATOM 1847 CA ARG A 54 4.628 -4.579 -3.039 1.00 0.00 C ATOM 1848 C ARG A 54 6.047 -4.025 -3.200 1.00 0.00 C ATOM 1849 O ARG A 54 6.376 -2.972 -2.691 1.00 0.00 O ATOM 1850 CB ARG A 54 3.795 -4.249 -4.289 1.00 0.00 C ATOM 1851 CG ARG A 54 4.094 -5.267 -5.408 1.00 0.00 C ATOM 1852 CD ARG A 54 3.264 -6.551 -5.198 1.00 0.00 C ATOM 1853 NE ARG A 54 4.089 -7.745 -5.564 1.00 0.00 N ATOM 1854 CZ ARG A 54 4.730 -7.805 -6.700 1.00 0.00 C ATOM 1855 NH1 ARG A 54 4.555 -6.886 -7.608 1.00 0.00 N ATOM 1856 NH2 ARG A 54 5.520 -8.814 -6.944 1.00 0.00 N ATOM 0 H ARG A 54 4.290 -3.027 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 54 4.684 -5.660 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.733 -4.268 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.025 -3.241 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.861 -4.830 -6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.157 -5.509 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.942 -6.623 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.362 -6.518 -5.809 1.00 0.00 H new ATOM 0 HE ARG A 54 4.152 -8.528 -4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.913 -6.112 -7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.060 -6.940 -8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.635 -9.552 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.023 -8.865 -7.830 1.00 0.00 H new ATOM 1870 N ASN A 55 6.887 -4.729 -3.910 1.00 0.00 N ATOM 1871 CA ASN A 55 8.282 -4.246 -4.107 1.00 0.00 C ATOM 1872 C ASN A 55 8.248 -2.844 -4.717 1.00 0.00 C ATOM 1873 O ASN A 55 7.445 -2.549 -5.579 1.00 0.00 O ATOM 1874 CB ASN A 55 9.017 -5.198 -5.055 1.00 0.00 C ATOM 1875 CG ASN A 55 8.363 -5.144 -6.437 1.00 0.00 C ATOM 1876 OD1 ASN A 55 7.228 -4.727 -6.567 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.034 -5.546 -7.482 1.00 0.00 N ATOM 0 H ASN A 55 6.667 -5.617 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 55 8.800 -4.214 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.068 -4.918 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.984 -6.215 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.606 -5.510 -8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.986 -5.896 -7.373 1.00 0.00 H new ATOM 1884 N ARG A 56 9.112 -1.977 -4.270 1.00 0.00 N ATOM 1885 CA ARG A 56 9.127 -0.587 -4.813 1.00 0.00 C ATOM 1886 C ARG A 56 9.512 -0.594 -6.292 1.00 0.00 C ATOM 1887 O ARG A 56 10.527 -1.135 -6.684 1.00 0.00 O ATOM 1888 CB ARG A 56 10.140 0.257 -4.020 1.00 0.00 C ATOM 1889 CG ARG A 56 9.502 0.708 -2.704 1.00 0.00 C ATOM 1890 CD ARG A 56 10.563 1.311 -1.786 1.00 0.00 C ATOM 1891 NE ARG A 56 11.318 2.365 -2.514 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.063 3.203 -1.849 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.167 3.093 -0.552 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.708 4.146 -2.477 1.00 0.00 N ATOM 0 H ARG A 56 9.810 -2.169 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 56 8.130 -0.158 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.039 -0.326 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.446 1.124 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.721 1.443 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.024 -0.140 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.092 1.735 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.245 0.533 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 56 11.253 2.432 -3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.666 2.352 -0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.749 3.748 -0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.630 4.229 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.290 4.801 -1.955 1.00 0.00 H new ATOM 1908 N LYS A 57 8.703 0.021 -7.110 1.00 0.00 N ATOM 1909 CA LYS A 57 8.999 0.076 -8.564 1.00 0.00 C ATOM 1910 C LYS A 57 10.274 0.888 -8.793 1.00 0.00 C ATOM 1911 O LYS A 57 10.700 1.644 -7.942 1.00 0.00 O ATOM 1912 CB LYS A 57 7.831 0.722 -9.291 1.00 0.00 C ATOM 1913 CG LYS A 57 7.604 2.115 -8.733 1.00 0.00 C ATOM 1914 CD LYS A 57 6.353 2.697 -9.376 1.00 0.00 C ATOM 1915 CE LYS A 57 6.227 4.180 -9.022 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.021 4.750 -9.688 1.00 0.00 N ATOM 0 H LYS A 57 7.843 0.491 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 57 9.146 -0.933 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.037 0.775 -10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.932 0.118 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.489 2.075 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.466 2.750 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.400 2.575 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.471 2.156 -9.032 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.150 4.302 -7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.120 4.718 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.935 5.758 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.112 4.647 -10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.173 4.243 -9.363 1.00 0.00 H new ATOM 1930 N VAL A 58 10.895 0.728 -9.927 1.00 0.00 N ATOM 1931 CA VAL A 58 12.151 1.479 -10.205 1.00 0.00 C ATOM 1932 C VAL A 58 11.979 2.952 -9.821 1.00 0.00 C ATOM 1933 O VAL A 58 10.879 3.452 -9.683 1.00 0.00 O ATOM 1934 CB VAL A 58 12.480 1.374 -11.695 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.387 2.071 -12.507 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.831 2.043 -11.977 1.00 0.00 C ATOM 0 H VAL A 58 10.587 0.108 -10.676 1.00 0.00 H new ATOM 0 HA VAL A 58 12.963 1.053 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 58 12.533 0.323 -11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.620 1.997 -13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.427 1.592 -12.312 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.334 3.121 -12.219 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.061 1.965 -13.040 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.783 3.094 -11.692 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.611 1.546 -11.400 1.00 0.00 H new