USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=17 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 154:sc= 0.944 USER MOD Set 1.2: A 10 CYS SG : rot -52:sc= -3.31 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= -3.43! USER MOD Set 1.4: A 31 CYS SG : rot 147:sc=-0.000943 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 78:sc= 0.849 USER MOD Single : A 9 ASN : amide:sc= -3.7! C(o=-3.7!,f=-3!) USER MOD Single : A 11 GLN : amide:sc= -0.0151 K(o=-0.015,f=-2.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 57:sc= 0.31! USER MOD Single : A 15 THR OG1 : rot -135:sc= 1.1 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.724 X(o=-0.72,f=-0.93) USER MOD Single : A 34 TYR OH : rot 165:sc= -2.08! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= -3.11 (180deg=-4.32!) USER MOD Single : A 38 HIS : no HD1:sc=-0.00677 X(o=-0.0068,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.6!) USER MOD Single : A 41 ASN : amide:sc= -2.66! C(o=-2.7!,f=-3.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 55 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.025 10.349 14.448 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.807 9.800 15.597 1.00 0.00 C ATOM 1070 C ALA A 3 -8.311 9.803 15.288 1.00 0.00 C ATOM 1071 O ALA A 3 -8.911 10.842 15.091 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.561 10.679 16.828 1.00 0.00 C ATOM 0 HA ALA A 3 -6.485 8.774 15.778 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.127 10.288 17.673 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.498 10.676 17.070 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.883 11.699 16.617 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.931 8.649 15.276 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.404 8.584 15.021 1.00 0.00 C ATOM 1080 C GLY A 4 -10.709 8.583 13.518 1.00 0.00 C ATOM 1081 O GLY A 4 -11.835 8.375 13.113 1.00 0.00 O ATOM 0 H GLY A 4 -8.480 7.747 15.432 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.815 7.684 15.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.895 9.435 15.494 1.00 0.00 H new ATOM 1085 N THR A 5 -9.737 8.835 12.686 1.00 0.00 N ATOM 1086 CA THR A 5 -10.017 8.865 11.221 1.00 0.00 C ATOM 1087 C THR A 5 -10.369 7.467 10.718 1.00 0.00 C ATOM 1088 O THR A 5 -9.527 6.593 10.648 1.00 0.00 O ATOM 1089 CB THR A 5 -8.787 9.368 10.464 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.215 10.459 11.169 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.191 9.823 9.053 1.00 0.00 C ATOM 0 H THR A 5 -8.770 9.020 12.952 1.00 0.00 H new ATOM 0 HA THR A 5 -10.858 9.536 11.047 1.00 0.00 H new ATOM 0 HB THR A 5 -8.059 8.561 10.383 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.425 10.782 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.310 10.180 8.520 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.628 8.984 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.922 10.628 9.126 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.601 7.269 10.325 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.033 5.951 9.771 1.00 0.00 C ATOM 1101 C VAL A 6 -12.545 6.214 8.363 1.00 0.00 C ATOM 1102 O VAL A 6 -13.186 7.216 8.111 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.144 5.349 10.633 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.554 4.905 11.971 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.234 6.395 10.880 1.00 0.00 C ATOM 0 H VAL A 6 -12.336 7.975 10.365 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.205 5.242 9.762 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.580 4.493 10.118 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.341 4.475 12.591 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.780 4.158 11.797 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.120 5.765 12.481 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.023 5.961 11.494 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.804 7.254 11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.653 6.716 9.926 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.268 5.356 7.434 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.741 5.608 6.055 1.00 0.00 C ATOM 1117 C CYS A 7 -14.253 5.673 6.015 1.00 0.00 C ATOM 1118 O CYS A 7 -14.948 4.726 6.324 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.244 4.503 5.152 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.726 4.852 3.447 1.00 0.00 S ATOM 0 H CYS A 7 -11.737 4.495 7.567 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.350 6.566 5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.160 4.420 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.658 3.546 5.469 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.895 4.271 2.634 1.00 0.00 H new ATOM 1125 N SER A 8 -14.756 6.802 5.630 1.00 0.00 N ATOM 1126 CA SER A 8 -16.217 6.985 5.552 1.00 0.00 C ATOM 1127 C SER A 8 -16.820 5.981 4.572 1.00 0.00 C ATOM 1128 O SER A 8 -17.890 5.450 4.799 1.00 0.00 O ATOM 1129 CB SER A 8 -16.499 8.399 5.055 1.00 0.00 C ATOM 1130 OG SER A 8 -16.045 9.337 6.022 1.00 0.00 O ATOM 0 H SER A 8 -14.206 7.618 5.362 1.00 0.00 H new ATOM 0 HA SER A 8 -16.659 6.828 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.996 8.569 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.567 8.529 4.879 1.00 0.00 H new ATOM 0 HG SER A 8 -15.071 9.424 5.961 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.165 5.732 3.464 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.748 4.786 2.474 1.00 0.00 C ATOM 1138 C ASN A 9 -16.571 3.324 2.898 1.00 0.00 C ATOM 1139 O ASN A 9 -17.457 2.525 2.662 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.067 4.988 1.118 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.491 6.331 0.520 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.526 6.864 0.864 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.728 6.903 -0.372 1.00 0.00 N ATOM 0 H ASN A 9 -15.265 6.138 3.208 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.816 4.995 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.984 4.958 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.336 4.177 0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.002 7.797 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.858 6.456 -0.661 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.441 2.932 3.481 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.268 1.477 3.846 1.00 0.00 C ATOM 1152 C CYS A 10 -14.816 1.273 5.307 1.00 0.00 C ATOM 1153 O CYS A 10 -14.409 0.190 5.675 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.289 0.801 2.862 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.555 1.168 3.276 1.00 0.00 S ATOM 0 H CYS A 10 -14.656 3.541 3.712 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.246 1.003 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.446 -0.278 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.500 1.140 1.848 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.397 2.454 3.383 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.928 2.266 6.153 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.562 2.095 7.602 1.00 0.00 C ATOM 1162 C GLN A 11 -13.128 1.585 7.817 1.00 0.00 C ATOM 1163 O GLN A 11 -12.700 1.435 8.945 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.535 1.110 8.264 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.921 1.745 8.393 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.914 0.676 8.855 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.642 -0.503 8.751 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.059 1.036 9.365 1.00 0.00 N ATOM 0 H GLN A 11 -15.260 3.198 5.904 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.626 3.085 8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.599 0.197 7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.163 0.826 9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.894 2.568 9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.235 2.163 7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.289 2.026 9.453 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.724 0.328 9.676 1.00 0.00 H new ATOM 1177 N THR A 12 -12.374 1.311 6.794 1.00 0.00 N ATOM 1178 CA THR A 12 -10.989 0.821 7.048 1.00 0.00 C ATOM 1179 C THR A 12 -10.212 1.925 7.788 1.00 0.00 C ATOM 1180 O THR A 12 -10.487 3.094 7.600 1.00 0.00 O ATOM 1181 CB THR A 12 -10.316 0.473 5.710 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.166 -0.323 5.956 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.910 1.739 4.958 1.00 0.00 C ATOM 0 H THR A 12 -12.644 1.401 5.815 1.00 0.00 H new ATOM 0 HA THR A 12 -11.004 -0.079 7.663 1.00 0.00 H new ATOM 0 HB THR A 12 -11.027 -0.079 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.736 -0.548 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.436 1.466 4.015 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.795 2.343 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.209 2.313 5.564 1.00 0.00 H new ATOM 1191 N SER A 13 -9.246 1.578 8.614 1.00 0.00 N ATOM 1192 CA SER A 13 -8.452 2.635 9.349 1.00 0.00 C ATOM 1193 C SER A 13 -6.961 2.450 9.047 1.00 0.00 C ATOM 1194 O SER A 13 -6.118 3.138 9.588 1.00 0.00 O ATOM 1195 CB SER A 13 -8.690 2.510 10.855 1.00 0.00 C ATOM 1196 OG SER A 13 -8.280 1.219 11.287 1.00 0.00 O ATOM 0 H SER A 13 -8.971 0.616 8.813 1.00 0.00 H new ATOM 0 HA SER A 13 -8.773 3.623 9.019 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.132 3.279 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.745 2.665 11.083 1.00 0.00 H new ATOM 0 HG SER A 13 -8.429 1.134 12.252 1.00 0.00 H new ATOM 1202 N THR A 14 -6.632 1.519 8.187 1.00 0.00 N ATOM 1203 CA THR A 14 -5.195 1.264 7.841 1.00 0.00 C ATOM 1204 C THR A 14 -4.871 1.878 6.479 1.00 0.00 C ATOM 1205 O THR A 14 -4.399 1.217 5.583 1.00 0.00 O ATOM 1206 CB THR A 14 -4.971 -0.244 7.782 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.495 -0.751 6.562 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.687 -0.899 8.958 1.00 0.00 C ATOM 0 H THR A 14 -7.301 0.919 7.705 1.00 0.00 H new ATOM 0 HA THR A 14 -4.549 1.713 8.595 1.00 0.00 H new ATOM 0 HB THR A 14 -3.904 -0.463 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.075 -0.287 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.532 -1.977 8.923 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.288 -0.505 9.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.754 -0.684 8.900 1.00 0.00 H new ATOM 1216 N THR A 15 -5.188 3.119 6.301 1.00 0.00 N ATOM 1217 CA THR A 15 -4.957 3.775 4.975 1.00 0.00 C ATOM 1218 C THR A 15 -3.504 4.202 4.805 1.00 0.00 C ATOM 1219 O THR A 15 -2.850 4.625 5.737 1.00 0.00 O ATOM 1220 CB THR A 15 -5.827 5.022 4.893 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.174 6.099 5.555 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.136 4.736 5.595 1.00 0.00 C ATOM 0 H THR A 15 -5.600 3.720 7.014 1.00 0.00 H new ATOM 0 HA THR A 15 -5.204 3.057 4.193 1.00 0.00 H new ATOM 0 HB THR A 15 -6.002 5.288 3.851 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.819 6.576 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.775 5.618 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.636 3.900 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.942 4.484 6.638 1.00 0.00 H new ATOM 1230 N THR A 16 -3.007 4.134 3.599 1.00 0.00 N ATOM 1231 CA THR A 16 -1.614 4.579 3.348 1.00 0.00 C ATOM 1232 C THR A 16 -1.601 6.108 3.386 1.00 0.00 C ATOM 1233 O THR A 16 -0.704 6.722 3.928 1.00 0.00 O ATOM 1234 CB THR A 16 -1.158 4.108 1.970 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.703 4.973 0.985 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.642 2.684 1.715 1.00 0.00 C ATOM 0 H THR A 16 -3.508 3.789 2.780 1.00 0.00 H new ATOM 0 HA THR A 16 -0.944 4.164 4.101 1.00 0.00 H new ATOM 0 HB THR A 16 -0.069 4.125 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.414 4.679 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.311 2.358 0.729 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.231 2.019 2.474 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.731 2.656 1.760 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.618 6.726 2.829 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.704 8.220 2.846 1.00 0.00 C ATOM 1246 C LEU A 17 -4.182 8.605 2.998 1.00 0.00 C ATOM 1247 O LEU A 17 -5.038 8.080 2.312 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.125 8.815 1.541 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.476 10.187 1.809 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.105 10.015 2.500 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.290 10.922 0.470 1.00 0.00 C ATOM 0 H LEU A 17 -3.394 6.256 2.362 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.121 8.618 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.385 8.133 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.918 8.921 0.800 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.124 10.765 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.337 10.995 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.239 9.497 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.555 9.432 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.831 11.894 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.647 10.332 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.260 11.061 -0.007 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.494 9.498 3.895 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.915 9.894 4.094 1.00 0.00 C ATOM 1265 C TRP A 18 -6.353 10.884 3.012 1.00 0.00 C ATOM 1266 O TRP A 18 -5.692 11.866 2.738 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.054 10.543 5.478 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.109 9.465 6.520 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.141 9.200 7.428 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.165 8.488 6.754 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.547 8.131 8.211 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.785 7.661 7.836 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.407 8.243 6.141 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.605 6.632 8.297 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.233 7.203 6.601 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.833 6.402 7.674 1.00 0.00 C ATOM 0 H TRP A 18 -3.824 9.972 4.500 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.550 9.011 4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.211 11.208 5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.957 11.153 5.519 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.207 9.733 7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.995 7.739 8.974 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.728 8.857 5.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.293 6.018 9.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.184 7.022 6.122 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.474 5.605 8.021 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.467 10.609 2.389 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.996 11.488 1.302 1.00 0.00 C ATOM 1289 C ARG A 19 -9.384 12.026 1.667 1.00 0.00 C ATOM 1290 O ARG A 19 -10.248 11.279 2.068 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.130 10.630 0.027 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.767 10.510 -0.689 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.440 11.821 -1.420 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.520 11.549 -2.575 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.342 11.000 -2.417 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.874 10.743 -1.226 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.610 10.742 -3.464 1.00 0.00 N ATOM 0 H ARG A 19 -8.046 9.794 2.591 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.319 12.329 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.500 9.638 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.862 11.078 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.985 10.283 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.792 9.684 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.358 12.286 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.974 12.525 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.823 11.801 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.428 10.970 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.954 10.315 -1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.956 10.968 -4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.691 10.314 -3.351 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.627 13.302 1.517 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.989 13.829 1.831 1.00 0.00 C ATOM 1313 C ARG A 20 -11.871 13.599 0.596 1.00 0.00 C ATOM 1314 O ARG A 20 -11.401 13.665 -0.523 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.918 15.332 2.132 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.134 15.585 3.429 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.019 15.312 4.652 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.304 15.746 5.884 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.962 15.876 7.003 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.243 15.632 7.036 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.338 16.248 8.087 1.00 0.00 N ATOM 0 H ARG A 20 -8.951 13.995 1.195 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.398 13.320 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.439 15.853 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.925 15.738 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.253 14.944 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.779 16.615 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.964 15.848 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.259 14.250 4.712 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.303 15.941 5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.729 15.340 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.759 15.733 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.336 16.437 8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.852 16.350 8.962 1.00 0.00 H new ATOM 1335 N SER A 21 -13.139 13.327 0.781 1.00 0.00 N ATOM 1336 CA SER A 21 -14.041 13.090 -0.396 1.00 0.00 C ATOM 1337 C SER A 21 -14.722 14.412 -0.807 1.00 0.00 C ATOM 1338 O SER A 21 -14.753 15.352 -0.043 1.00 0.00 O ATOM 1339 CB SER A 21 -15.083 12.023 -0.022 1.00 0.00 C ATOM 1340 OG SER A 21 -14.731 10.795 -0.643 1.00 0.00 O ATOM 0 H SER A 21 -13.591 13.258 1.693 1.00 0.00 H new ATOM 0 HA SER A 21 -13.461 12.731 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.124 11.900 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.076 12.337 -0.344 1.00 0.00 H new ATOM 0 HG SER A 21 -15.390 10.109 -0.408 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.264 14.487 -2.008 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.951 15.732 -2.471 1.00 0.00 C ATOM 1348 C PRO A 22 -17.000 16.256 -1.473 1.00 0.00 C ATOM 1349 O PRO A 22 -17.319 17.429 -1.459 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.630 15.261 -3.772 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.979 13.935 -4.198 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.223 13.360 -2.991 1.00 0.00 C ATOM 0 HA PRO A 22 -15.259 16.566 -2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.700 15.126 -3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.514 16.011 -4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.738 13.232 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.296 14.098 -5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.706 12.464 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.200 13.084 -3.248 1.00 0.00 H new ATOM 1360 N MET A 23 -17.539 15.401 -0.642 1.00 0.00 N ATOM 1361 CA MET A 23 -18.568 15.855 0.345 1.00 0.00 C ATOM 1362 C MET A 23 -17.887 16.187 1.674 1.00 0.00 C ATOM 1363 O MET A 23 -18.507 16.675 2.598 1.00 0.00 O ATOM 1364 CB MET A 23 -19.592 14.735 0.556 1.00 0.00 C ATOM 1365 CG MET A 23 -20.434 14.568 -0.712 1.00 0.00 C ATOM 1366 SD MET A 23 -21.647 13.246 -0.467 1.00 0.00 S ATOM 1367 CE MET A 23 -22.464 13.385 -2.076 1.00 0.00 C ATOM 0 H MET A 23 -17.312 14.407 -0.603 1.00 0.00 H new ATOM 0 HA MET A 23 -19.073 16.744 -0.032 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.082 13.801 0.792 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.235 14.971 1.404 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.943 15.503 -0.948 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.790 14.332 -1.559 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.263 12.647 -2.143 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.884 14.385 -2.186 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.738 13.207 -2.869 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.615 15.916 1.776 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.875 16.199 3.040 1.00 0.00 C ATOM 1379 C GLY A 24 -15.934 14.972 3.951 1.00 0.00 C ATOM 1380 O GLY A 24 -15.879 15.083 5.159 1.00 0.00 O ATOM 0 H GLY A 24 -16.051 15.507 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.838 16.451 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.312 17.061 3.544 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.051 13.797 3.383 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.118 12.551 4.204 1.00 0.00 C ATOM 1386 C ASP A 25 -14.731 11.860 4.220 1.00 0.00 C ATOM 1387 O ASP A 25 -14.272 11.414 3.189 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.121 11.602 3.538 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.469 12.309 3.375 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.708 13.262 4.099 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.239 11.885 2.528 1.00 0.00 O ATOM 0 H ASP A 25 -16.103 13.648 2.375 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.417 12.793 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.746 11.285 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.242 10.703 4.142 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.055 11.750 5.353 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.717 11.078 5.372 1.00 0.00 C ATOM 1398 C PRO A 26 -12.750 9.691 4.701 1.00 0.00 C ATOM 1399 O PRO A 26 -13.496 8.820 5.102 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.423 10.976 6.881 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.378 11.933 7.614 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.542 12.266 6.668 1.00 0.00 C ATOM 0 HA PRO A 26 -11.955 11.622 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.566 9.953 7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.386 11.241 7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.751 11.472 8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.854 12.843 7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.467 11.779 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.742 13.337 6.634 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.929 9.486 3.692 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.890 8.151 2.995 1.00 0.00 C ATOM 1412 C VAL A 27 -10.448 7.659 2.884 1.00 0.00 C ATOM 1413 O VAL A 27 -9.511 8.429 2.965 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.499 8.242 1.589 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.026 8.279 1.688 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.981 9.497 0.877 1.00 0.00 C ATOM 0 H VAL A 27 -11.284 10.184 3.321 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.477 7.449 3.587 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.205 7.366 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.454 8.344 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.381 7.372 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.332 9.148 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.417 9.556 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.262 10.382 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.895 9.447 0.796 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.260 6.377 2.681 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.881 5.838 2.546 1.00 0.00 C ATOM 1428 C CYS A 28 -8.396 6.076 1.109 1.00 0.00 C ATOM 1429 O CYS A 28 -9.184 6.233 0.197 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.853 4.338 2.926 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.724 3.300 1.709 1.00 0.00 S ATOM 0 H CYS A 28 -11.005 5.685 2.604 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.205 6.352 3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.818 4.006 3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.310 4.205 3.907 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.668 2.633 2.304 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.108 6.165 0.912 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.571 6.464 -0.453 1.00 0.00 C ATOM 1438 C ASN A 29 -7.185 5.550 -1.517 1.00 0.00 C ATOM 1439 O ASN A 29 -7.316 5.938 -2.661 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.052 6.269 -0.454 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.500 6.552 -1.854 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.417 5.662 -2.676 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -4.108 7.759 -2.160 1.00 0.00 N ATOM 0 H ASN A 29 -6.401 6.044 1.637 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.830 7.495 -0.694 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.589 6.937 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.806 5.251 -0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.733 7.953 -3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.177 8.508 -1.471 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.558 4.355 -1.181 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.147 3.464 -2.222 1.00 0.00 C ATOM 1452 C ALA A 30 -9.593 3.891 -2.555 1.00 0.00 C ATOM 1453 O ALA A 30 -9.939 4.059 -3.707 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.113 2.026 -1.729 1.00 0.00 C ATOM 0 H ALA A 30 -7.485 3.955 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.559 3.545 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.543 1.371 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.081 1.731 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.691 1.943 -0.808 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.445 4.062 -1.571 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.858 4.471 -1.876 1.00 0.00 C ATOM 1462 C CYS A 31 -11.861 5.787 -2.643 1.00 0.00 C ATOM 1463 O CYS A 31 -12.580 5.959 -3.590 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.650 4.699 -0.584 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.095 3.133 0.176 1.00 0.00 S ATOM 0 H CYS A 31 -10.229 3.938 -0.582 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.313 3.672 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.056 5.291 0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.551 5.272 -0.801 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.095 3.263 1.469 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.082 6.727 -2.223 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.080 8.037 -2.920 1.00 0.00 C ATOM 1472 C GLY A 32 -10.778 7.844 -4.405 1.00 0.00 C ATOM 1473 O GLY A 32 -11.472 8.360 -5.259 1.00 0.00 O ATOM 0 H GLY A 32 -10.446 6.651 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.048 8.523 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.335 8.694 -2.472 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.752 7.112 -4.725 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.420 6.900 -6.161 1.00 0.00 C ATOM 1479 C LEU A 33 -10.497 6.034 -6.814 1.00 0.00 C ATOM 1480 O LEU A 33 -11.009 6.353 -7.864 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.068 6.191 -6.269 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.971 7.049 -5.616 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.670 6.236 -5.517 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.724 8.319 -6.453 1.00 0.00 C ATOM 0 H LEU A 33 -9.130 6.652 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.372 7.864 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.118 5.218 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.825 6.011 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.296 7.339 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.894 6.846 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.842 5.346 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.350 5.938 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.946 8.919 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.407 8.037 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.644 8.900 -6.513 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.845 4.940 -6.207 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.885 4.057 -6.803 1.00 0.00 C ATOM 1498 C TYR A 34 -13.203 4.819 -6.950 1.00 0.00 C ATOM 1499 O TYR A 34 -13.844 4.791 -7.982 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.102 2.866 -5.873 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.151 1.957 -6.452 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.497 2.156 -6.132 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.778 0.912 -7.303 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.474 1.311 -6.665 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.755 0.066 -7.838 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.104 0.265 -7.518 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.067 -0.570 -8.045 1.00 0.00 O ATOM 0 H TYR A 34 -10.455 4.616 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.556 3.722 -7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.168 2.321 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.412 3.213 -4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.782 2.963 -5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.737 0.758 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.514 1.465 -6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.469 -0.740 -8.497 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.686 -1.080 -8.790 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.612 5.484 -5.912 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.891 6.243 -5.941 1.00 0.00 C ATOM 1519 C TYR A 35 -14.849 7.322 -7.025 1.00 0.00 C ATOM 1520 O TYR A 35 -15.771 7.501 -7.775 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.104 6.913 -4.577 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.552 7.292 -4.430 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.995 8.533 -4.885 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.447 6.395 -3.837 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.343 8.886 -4.750 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.793 6.740 -3.699 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.245 7.988 -4.155 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.574 8.332 -4.020 1.00 0.00 O ATOM 0 H TYR A 35 -13.106 5.536 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.707 5.554 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.811 6.234 -3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.474 7.798 -4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.299 9.221 -5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.097 5.436 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.689 9.847 -5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.485 6.048 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.060 7.598 -3.589 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.798 8.061 -7.106 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.741 9.133 -8.134 1.00 0.00 C ATOM 1540 C LYS A 36 -13.876 8.528 -9.532 1.00 0.00 C ATOM 1541 O LYS A 36 -14.548 9.070 -10.387 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.391 9.835 -7.997 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.257 10.950 -9.028 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.912 11.654 -8.820 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.743 10.692 -9.122 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.327 10.003 -7.867 1.00 0.00 N ATOM 0 H LYS A 36 -12.973 7.977 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.557 9.841 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.290 10.247 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.585 9.113 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.317 10.541 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.076 11.662 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.848 12.527 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.838 12.014 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.046 9.958 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.902 11.245 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.064 9.020 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.511 10.498 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.116 10.010 -7.189 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.249 7.419 -9.775 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.346 6.793 -11.123 1.00 0.00 C ATOM 1562 C LEU A 37 -14.742 6.192 -11.358 1.00 0.00 C ATOM 1563 O LEU A 37 -15.331 6.389 -12.402 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.278 5.688 -11.230 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.968 6.265 -11.785 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.536 7.493 -10.968 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.881 5.188 -11.722 1.00 0.00 C ATOM 0 H LEU A 37 -12.672 6.915 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.180 7.558 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.102 5.247 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.635 4.889 -11.880 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.120 6.575 -12.819 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.606 7.891 -11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.312 8.257 -11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.384 7.203 -9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.947 5.590 -12.115 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.736 4.878 -10.687 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.185 4.328 -12.319 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.258 5.427 -10.422 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.595 4.772 -10.628 1.00 0.00 C ATOM 1581 C HIS A 38 -17.702 5.432 -9.791 1.00 0.00 C ATOM 1582 O HIS A 38 -18.867 5.178 -10.011 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.469 3.297 -10.251 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.490 2.641 -11.189 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.891 2.050 -12.378 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.125 2.499 -11.141 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.787 1.586 -12.991 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.685 1.835 -12.281 1.00 0.00 N ATOM 0 H HIS A 38 -14.813 5.228 -9.526 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.879 4.885 -11.674 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.129 3.198 -9.220 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.440 2.806 -10.315 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.490 2.849 -10.340 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.792 1.074 -13.942 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.725 1.590 -12.523 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.378 6.292 -8.866 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.424 6.988 -8.045 1.00 0.00 C ATOM 1598 C GLN A 39 -19.516 6.018 -7.564 1.00 0.00 C ATOM 1599 O GLN A 39 -20.697 6.261 -7.687 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.977 8.174 -8.849 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.033 8.951 -8.044 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.208 10.350 -8.640 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.441 10.764 -9.487 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.192 11.102 -8.230 1.00 0.00 N ATOM 0 H GLN A 39 -16.418 6.550 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.974 7.377 -7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.161 8.843 -9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.418 7.812 -9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.983 8.417 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.727 9.025 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.837 10.756 -7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.317 12.036 -8.620 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.115 4.927 -6.966 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.091 3.952 -6.413 1.00 0.00 C ATOM 1615 C VAL A 40 -19.473 3.295 -5.179 1.00 0.00 C ATOM 1616 O VAL A 40 -18.268 3.200 -5.056 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.430 2.877 -7.438 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.310 3.472 -8.537 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.148 2.298 -8.046 1.00 0.00 C ATOM 0 H VAL A 40 -18.136 4.670 -6.837 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.010 4.477 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.972 2.073 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.550 2.700 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.231 3.855 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.777 4.285 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.406 1.531 -8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.587 3.093 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.538 1.857 -7.257 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.281 2.831 -4.269 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.723 2.169 -3.051 1.00 0.00 C ATOM 1631 C ASN A 41 -19.447 0.700 -3.387 1.00 0.00 C ATOM 1632 O ASN A 41 -20.245 0.056 -4.039 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.725 2.262 -1.890 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.066 1.635 -2.290 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.118 0.511 -2.746 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.166 2.319 -2.130 1.00 0.00 N ATOM 0 H ASN A 41 -21.299 2.879 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.801 2.665 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.325 1.752 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.873 3.305 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -24.064 1.909 -2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -23.128 3.264 -1.747 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.307 0.170 -2.994 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.967 -1.254 -3.337 1.00 0.00 C ATOM 1645 C ARG A 42 -17.672 -2.059 -2.038 1.00 0.00 C ATOM 1646 O ARG A 42 -16.861 -1.634 -1.238 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.706 -1.217 -4.229 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.709 -2.383 -5.232 1.00 0.00 C ATOM 1649 CD ARG A 42 -17.871 -2.235 -6.237 1.00 0.00 C ATOM 1650 NE ARG A 42 -17.393 -2.630 -7.589 1.00 0.00 N ATOM 1651 CZ ARG A 42 -18.248 -2.850 -8.548 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -19.528 -2.715 -8.329 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -17.822 -3.200 -9.729 1.00 0.00 N ATOM 0 H ARG A 42 -17.598 0.662 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.797 -1.737 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.664 -0.270 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.813 -1.270 -3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.760 -2.411 -5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.802 -3.329 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.711 -2.861 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -18.229 -1.206 -6.250 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.393 -2.729 -7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -19.861 -2.437 -7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -20.195 -2.888 -9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.822 -3.301 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.489 -3.373 -10.481 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.300 -3.212 -1.812 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.030 -4.016 -0.578 1.00 0.00 C ATOM 1669 C PRO A 43 -16.541 -4.104 -0.199 1.00 0.00 C ATOM 1670 O PRO A 43 -15.663 -4.021 -1.033 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.598 -5.385 -0.965 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.658 -5.140 -2.043 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.315 -3.809 -2.739 1.00 0.00 C ATOM 0 HA PRO A 43 -18.476 -3.572 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.810 -6.038 -1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.036 -5.880 -0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -19.667 -5.958 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.652 -5.095 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.909 -3.966 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -20.191 -3.170 -2.848 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.273 -4.275 1.069 1.00 0.00 N ATOM 1682 CA LEU A 44 -14.864 -4.372 1.559 1.00 0.00 C ATOM 1683 C LEU A 44 -14.168 -5.612 0.985 1.00 0.00 C ATOM 1684 O LEU A 44 -12.977 -5.772 1.140 1.00 0.00 O ATOM 1685 CB LEU A 44 -14.877 -4.460 3.101 1.00 0.00 C ATOM 1686 CG LEU A 44 -14.845 -3.054 3.699 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -16.172 -2.348 3.418 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -14.629 -3.146 5.211 1.00 0.00 C ATOM 0 H LEU A 44 -16.982 -4.353 1.798 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.316 -3.489 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -15.769 -4.988 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.018 -5.033 3.449 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.029 -2.488 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -16.148 -1.345 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.327 -2.280 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -16.988 -2.914 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.606 -2.143 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.444 -3.713 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.683 -3.648 5.413 1.00 0.00 H new ATOM 1700 N THR A 45 -14.886 -6.498 0.348 1.00 0.00 N ATOM 1701 CA THR A 45 -14.225 -7.721 -0.207 1.00 0.00 C ATOM 1702 C THR A 45 -12.928 -7.324 -0.920 1.00 0.00 C ATOM 1703 O THR A 45 -12.040 -8.130 -1.118 1.00 0.00 O ATOM 1704 CB THR A 45 -15.162 -8.405 -1.208 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.552 -7.471 -2.206 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.399 -8.926 -0.477 1.00 0.00 C ATOM 0 H THR A 45 -15.891 -6.432 0.188 1.00 0.00 H new ATOM 0 HA THR A 45 -14.000 -8.408 0.609 1.00 0.00 H new ATOM 0 HB THR A 45 -14.644 -9.241 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.150 -7.908 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.065 -9.412 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.096 -9.644 0.285 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.920 -8.093 -0.004 1.00 0.00 H new ATOM 1714 N MET A 46 -12.824 -6.086 -1.315 1.00 0.00 N ATOM 1715 CA MET A 46 -11.598 -5.625 -2.026 1.00 0.00 C ATOM 1716 C MET A 46 -10.450 -5.402 -1.029 1.00 0.00 C ATOM 1717 O MET A 46 -9.319 -5.775 -1.275 1.00 0.00 O ATOM 1718 CB MET A 46 -11.928 -4.330 -2.768 1.00 0.00 C ATOM 1719 CG MET A 46 -10.695 -3.814 -3.504 1.00 0.00 C ATOM 1720 SD MET A 46 -11.189 -2.445 -4.581 1.00 0.00 S ATOM 1721 CE MET A 46 -10.309 -2.966 -6.073 1.00 0.00 C ATOM 0 H MET A 46 -13.538 -5.371 -1.176 1.00 0.00 H new ATOM 0 HA MET A 46 -11.274 -6.384 -2.738 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.737 -4.505 -3.477 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.280 -3.578 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.942 -3.480 -2.790 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.244 -4.613 -4.092 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.486 -2.244 -6.870 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.241 -3.022 -5.864 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.670 -3.946 -6.384 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.735 -4.803 0.096 1.00 0.00 N ATOM 1732 CA ARG A 47 -9.672 -4.556 1.118 1.00 0.00 C ATOM 1733 C ARG A 47 -9.421 -5.820 1.941 1.00 0.00 C ATOM 1734 O ARG A 47 -10.211 -6.742 1.948 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.088 -3.396 2.034 1.00 0.00 C ATOM 1736 CG ARG A 47 -9.709 -2.080 1.358 1.00 0.00 C ATOM 1737 CD ARG A 47 -10.311 -0.899 2.104 1.00 0.00 C ATOM 1738 NE ARG A 47 -9.636 0.357 1.624 1.00 0.00 N ATOM 1739 CZ ARG A 47 -8.346 0.528 1.771 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -7.666 -0.263 2.555 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -7.739 1.518 1.170 1.00 0.00 N ATOM 0 H ARG A 47 -11.664 -4.471 0.354 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.747 -4.289 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.161 -3.429 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.592 -3.481 3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.624 -1.981 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.060 -2.081 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.385 -0.845 1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.172 -1.018 3.179 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.192 1.086 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.139 -1.016 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.661 -0.128 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.270 2.161 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.734 1.647 1.288 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.303 -5.862 2.624 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.942 -7.052 3.450 1.00 0.00 C ATOM 1757 C LYS A 48 -7.871 -6.658 4.928 1.00 0.00 C ATOM 1758 O LYS A 48 -8.410 -5.652 5.343 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.578 -7.561 2.990 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.687 -8.048 1.544 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.325 -8.559 1.075 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.444 -9.122 -0.341 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.238 -9.943 -0.642 1.00 0.00 N ATOM 0 H LYS A 48 -7.616 -5.109 2.643 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.696 -7.830 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.836 -6.766 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.242 -8.372 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.430 -8.842 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.024 -7.236 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.596 -7.749 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.962 -9.331 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.344 -9.730 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.536 -8.310 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.313 -10.329 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.387 -9.349 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.171 -10.725 0.041 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.198 -7.446 5.721 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.057 -7.145 7.176 1.00 0.00 C ATOM 1779 C ASP A 49 -5.774 -6.336 7.414 1.00 0.00 C ATOM 1780 O ASP A 49 -5.423 -6.028 8.536 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.988 -8.466 7.949 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.665 -9.173 7.642 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -5.373 -9.359 6.472 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -4.965 -9.511 8.582 1.00 0.00 O ATOM 0 H ASP A 49 -6.732 -8.301 5.417 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.911 -6.561 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.071 -8.277 9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.826 -9.105 7.672 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.079 -5.978 6.364 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.826 -5.177 6.518 1.00 0.00 C ATOM 1791 C GLY A 50 -3.597 -4.367 5.236 1.00 0.00 C ATOM 1792 O GLY A 50 -4.360 -4.463 4.296 1.00 0.00 O ATOM 0 H GLY A 50 -5.327 -6.207 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.907 -4.510 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.978 -5.835 6.705 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.544 -3.588 5.171 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.276 -2.807 3.931 1.00 0.00 C ATOM 1798 C ILE A 51 -1.465 -3.678 2.968 1.00 0.00 C ATOM 1799 O ILE A 51 -0.488 -4.297 3.338 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.499 -1.534 4.284 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.295 -0.762 5.355 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.319 -0.665 3.025 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.858 0.707 5.401 1.00 0.00 C ATOM 0 H ILE A 51 -1.864 -3.462 5.921 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.214 -2.520 3.456 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.512 -1.789 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.361 -0.823 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.143 -1.223 6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.766 0.238 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.767 -1.226 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.297 -0.391 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.432 1.234 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.797 0.763 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.034 1.170 4.430 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.868 -3.719 1.734 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.134 -4.537 0.731 1.00 0.00 C ATOM 1817 C GLN A 52 0.197 -3.859 0.392 1.00 0.00 C ATOM 1818 O GLN A 52 0.285 -2.657 0.334 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.991 -4.666 -0.533 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.177 -5.589 -0.249 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.132 -5.584 -1.444 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.300 -6.589 -2.108 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.768 -4.486 -1.752 1.00 0.00 N ATOM 0 H GLN A 52 -2.680 -3.218 1.372 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.934 -5.528 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.347 -3.685 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.393 -5.065 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.824 -6.602 -0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.700 -5.259 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.628 -3.642 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.405 -4.472 -2.549 1.00 0.00 H new ATOM 1832 N THR A 53 1.247 -4.613 0.194 1.00 0.00 N ATOM 1833 CA THR A 53 2.573 -3.989 -0.135 1.00 0.00 C ATOM 1834 C THR A 53 3.260 -4.791 -1.237 1.00 0.00 C ATOM 1835 O THR A 53 2.960 -5.945 -1.472 1.00 0.00 O ATOM 1836 CB THR A 53 3.467 -3.941 1.111 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.831 -4.037 0.722 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.116 -5.090 2.044 1.00 0.00 C ATOM 0 H THR A 53 1.249 -5.632 0.245 1.00 0.00 H new ATOM 0 HA THR A 53 2.405 -2.969 -0.482 1.00 0.00 H new ATOM 0 HB THR A 53 3.306 -2.998 1.633 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.401 -4.005 1.518 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.754 -5.050 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.072 -5.007 2.347 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.269 -6.038 1.528 1.00 0.00 H new ATOM 1846 N ARG A 54 4.175 -4.167 -1.924 1.00 0.00 N ATOM 1847 CA ARG A 54 4.896 -4.856 -3.039 1.00 0.00 C ATOM 1848 C ARG A 54 6.337 -4.360 -3.127 1.00 0.00 C ATOM 1849 O ARG A 54 6.695 -3.334 -2.583 1.00 0.00 O ATOM 1850 CB ARG A 54 4.183 -4.571 -4.370 1.00 0.00 C ATOM 1851 CG ARG A 54 2.888 -5.395 -4.471 1.00 0.00 C ATOM 1852 CD ARG A 54 3.211 -6.904 -4.521 1.00 0.00 C ATOM 1853 NE ARG A 54 2.300 -7.575 -5.500 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.011 -7.386 -5.458 1.00 0.00 C ATOM 1855 NH1 ARG A 54 0.470 -6.769 -4.444 1.00 0.00 N ATOM 1856 NH2 ARG A 54 0.253 -7.860 -6.408 1.00 0.00 N ATOM 0 H ARG A 54 4.459 -3.201 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 54 4.898 -5.928 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.952 -3.508 -4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.843 -4.815 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.247 -5.182 -3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.334 -5.106 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.250 -7.055 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.089 -7.346 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 54 2.694 -8.190 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.056 -6.432 -3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.539 -6.623 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.669 -8.378 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.756 -7.713 -6.377 1.00 0.00 H new ATOM 1870 N ASN A 55 7.165 -5.094 -3.821 1.00 0.00 N ATOM 1871 CA ASN A 55 8.586 -4.683 -3.957 1.00 0.00 C ATOM 1872 C ASN A 55 8.630 -3.264 -4.517 1.00 0.00 C ATOM 1873 O ASN A 55 7.859 -2.897 -5.383 1.00 0.00 O ATOM 1874 CB ASN A 55 9.313 -5.640 -4.906 1.00 0.00 C ATOM 1875 CG ASN A 55 9.471 -7.007 -4.237 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.457 -7.109 -3.026 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.621 -8.070 -4.980 1.00 0.00 N ATOM 0 H ASN A 55 6.916 -5.960 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 55 9.078 -4.714 -2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.753 -5.742 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.291 -5.236 -5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.726 -8.986 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.633 -7.984 -5.996 1.00 0.00 H new ATOM 1884 N ARG A 56 9.512 -2.458 -4.006 1.00 0.00 N ATOM 1885 CA ARG A 56 9.603 -1.048 -4.468 1.00 0.00 C ATOM 1886 C ARG A 56 9.873 -1.015 -5.979 1.00 0.00 C ATOM 1887 O ARG A 56 10.833 -1.579 -6.463 1.00 0.00 O ATOM 1888 CB ARG A 56 10.750 -0.358 -3.696 1.00 0.00 C ATOM 1889 CG ARG A 56 10.375 1.099 -3.369 1.00 0.00 C ATOM 1890 CD ARG A 56 9.517 1.145 -2.094 1.00 0.00 C ATOM 1891 NE ARG A 56 10.413 1.226 -0.905 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.921 1.504 0.272 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.629 1.569 0.441 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.721 1.687 1.286 1.00 0.00 N ATOM 0 H ARG A 56 10.181 -2.717 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 56 8.667 -0.523 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.956 -0.903 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.663 -0.381 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.278 1.694 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.827 1.539 -4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.849 2.006 -2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.889 0.257 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 56 11.414 1.064 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.003 1.403 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.245 1.786 1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.730 1.613 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.337 1.904 2.206 1.00 0.00 H new ATOM 1908 N LYS A 57 9.020 -0.360 -6.721 1.00 0.00 N ATOM 1909 CA LYS A 57 9.208 -0.289 -8.196 1.00 0.00 C ATOM 1910 C LYS A 57 10.532 0.389 -8.529 1.00 0.00 C ATOM 1911 O LYS A 57 11.333 0.681 -7.664 1.00 0.00 O ATOM 1912 CB LYS A 57 8.070 0.503 -8.816 1.00 0.00 C ATOM 1913 CG LYS A 57 7.989 1.870 -8.155 1.00 0.00 C ATOM 1914 CD LYS A 57 6.830 2.639 -8.774 1.00 0.00 C ATOM 1915 CE LYS A 57 6.523 3.889 -7.945 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.384 4.622 -8.565 1.00 0.00 N ATOM 0 H LYS A 57 8.199 0.130 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 57 9.216 -1.302 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.231 0.614 -9.888 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.128 -0.031 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.841 1.763 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.923 2.414 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.078 2.924 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.947 2.002 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.276 3.609 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.402 4.532 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.172 5.472 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.637 4.900 -9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.547 4.006 -8.589 1.00 0.00 H new ATOM 1930 N VAL A 58 10.761 0.643 -9.784 1.00 0.00 N ATOM 1931 CA VAL A 58 12.024 1.305 -10.193 1.00 0.00 C ATOM 1932 C VAL A 58 12.138 2.656 -9.481 1.00 0.00 C ATOM 1933 O VAL A 58 11.184 3.403 -9.399 1.00 0.00 O ATOM 1934 CB VAL A 58 11.996 1.523 -11.707 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.773 2.365 -12.079 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.270 2.246 -12.144 1.00 0.00 C ATOM 0 H VAL A 58 10.123 0.419 -10.548 1.00 0.00 H new ATOM 0 HA VAL A 58 12.879 0.683 -9.925 1.00 0.00 H new ATOM 0 HB VAL A 58 11.938 0.559 -12.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.753 2.521 -13.158 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.866 1.845 -11.770 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.828 3.330 -11.574 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.249 2.401 -13.223 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.332 3.211 -11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.139 1.643 -11.881 1.00 0.00 H new