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 159:sc= 0.127 USER MOD Set 1.2: A 10 CYS SG : rot -49:sc= -1.68! USER MOD Set 1.3: A 28 CYS SG : rot -124:sc= 1.1 USER MOD Set 1.4: A 31 CYS SG : rot 84:sc= -4.12! USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.0206 USER MOD Set 2.2: A 29 ASN : amide:sc= -5.98! C(o=-6!,f=-7.3!) USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 THR OG1 : rot 13:sc= 0.916 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 8 SER OG : rot 66:sc= 1.18 USER MOD Single : A 9 ASN : amide:sc= -3.03! C(o=-3!,f=-4.2!) USER MOD Single : A 11 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.47) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.884 USER MOD Single : A 21 SER OG : rot 180:sc= 0.199 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+ 139:sc= -0.921 (180deg=-1.67!) USER MOD Single : A 38 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 39 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.4!) USER MOD Single : A 41 ASN : amide:sc= 0.156 K(o=0.16,f=-6.3!) 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+ -171:sc= 0 (180deg=-0.0558) USER MOD Single : A 52 GLN : amide:sc= -2.06 K(o=-2.1,f=-5.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 55 ASN : amide:sc= -0.0712 K(o=-0.071,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -7.364 11.865 14.434 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.386 10.899 15.574 1.00 0.00 C ATOM 1070 C ALA A 3 -8.714 10.154 15.562 1.00 0.00 C ATOM 1071 O ALA A 3 -9.750 10.711 15.867 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.230 11.654 16.894 1.00 0.00 C ATOM 0 HA ALA A 3 -6.564 10.190 15.473 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.247 10.946 17.722 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.282 12.192 16.896 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.050 12.363 17.007 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.702 8.902 15.184 1.00 0.00 N ATOM 1079 CA GLY A 4 -9.970 8.124 15.117 1.00 0.00 C ATOM 1080 C GLY A 4 -10.454 8.128 13.670 1.00 0.00 C ATOM 1081 O GLY A 4 -11.590 7.808 13.383 1.00 0.00 O ATOM 0 H GLY A 4 -7.864 8.385 14.918 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.808 7.103 15.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.722 8.565 15.771 1.00 0.00 H new ATOM 1085 N THR A 5 -9.602 8.509 12.751 1.00 0.00 N ATOM 1086 CA THR A 5 -10.032 8.549 11.327 1.00 0.00 C ATOM 1087 C THR A 5 -10.442 7.156 10.855 1.00 0.00 C ATOM 1088 O THR A 5 -9.641 6.242 10.819 1.00 0.00 O ATOM 1089 CB THR A 5 -8.881 9.041 10.446 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.212 10.105 11.098 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.430 9.527 9.095 1.00 0.00 C ATOM 0 H THR A 5 -8.637 8.791 12.926 1.00 0.00 H new ATOM 0 HA THR A 5 -10.881 9.228 11.248 1.00 0.00 H new ATOM 0 HB THR A 5 -8.182 8.222 10.274 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.474 10.420 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.607 9.876 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.942 8.706 8.593 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.132 10.345 9.260 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.672 7.012 10.439 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.155 5.711 9.892 1.00 0.00 C ATOM 1101 C VAL A 6 -12.602 6.005 8.468 1.00 0.00 C ATOM 1102 O VAL A 6 -13.167 7.047 8.200 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.335 5.179 10.714 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.847 4.752 12.099 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.397 6.273 10.861 1.00 0.00 C ATOM 0 H VAL A 6 -12.373 7.753 10.456 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.374 4.952 9.927 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.769 4.320 10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.688 4.374 12.681 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.097 3.968 11.995 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.408 5.609 12.610 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.234 5.891 11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.964 7.135 11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.750 6.572 9.874 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.346 5.135 7.542 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.749 5.419 6.142 1.00 0.00 C ATOM 1117 C CYS A 7 -14.261 5.458 6.021 1.00 0.00 C ATOM 1118 O CYS A 7 -14.945 4.487 6.273 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.206 4.321 5.253 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.664 4.638 3.534 1.00 0.00 S ATOM 0 H CYS A 7 -11.877 4.242 7.691 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.351 6.388 5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.121 4.269 5.346 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.600 3.356 5.571 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.860 3.991 2.744 1.00 0.00 H new ATOM 1125 N SER A 8 -14.786 6.574 5.625 1.00 0.00 N ATOM 1126 CA SER A 8 -16.250 6.684 5.473 1.00 0.00 C ATOM 1127 C SER A 8 -16.734 5.675 4.430 1.00 0.00 C ATOM 1128 O SER A 8 -17.785 5.086 4.574 1.00 0.00 O ATOM 1129 CB SER A 8 -16.603 8.089 4.996 1.00 0.00 C ATOM 1130 OG SER A 8 -16.146 9.045 5.947 1.00 0.00 O ATOM 0 H SER A 8 -14.260 7.418 5.399 1.00 0.00 H new ATOM 0 HA SER A 8 -16.728 6.483 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.146 8.280 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.681 8.179 4.864 1.00 0.00 H new ATOM 0 HG SER A 8 -15.166 9.036 5.975 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.000 5.496 3.352 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.475 4.554 2.298 1.00 0.00 C ATOM 1138 C ASN A 9 -16.359 3.087 2.735 1.00 0.00 C ATOM 1139 O ASN A 9 -17.238 2.305 2.426 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.638 4.760 1.032 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.015 6.081 0.357 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.465 6.423 -0.671 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -16.926 6.846 0.893 1.00 0.00 N ATOM 0 H ASN A 9 -15.109 5.955 3.164 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.528 4.766 2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.578 4.762 1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.799 3.932 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.176 7.730 0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.389 6.560 1.756 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.299 2.672 3.420 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.197 1.215 3.810 1.00 0.00 C ATOM 1152 C CYS A 10 -14.900 1.034 5.305 1.00 0.00 C ATOM 1153 O CYS A 10 -14.719 -0.076 5.765 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.148 0.487 2.940 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.452 0.945 3.402 1.00 0.00 S ATOM 0 H CYS A 10 -14.522 3.263 3.717 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.171 0.762 3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.274 -0.591 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.316 0.728 1.890 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.355 2.240 3.469 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.909 2.080 6.089 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.697 1.922 7.563 1.00 0.00 C ATOM 1162 C GLN A 11 -13.315 1.339 7.906 1.00 0.00 C ATOM 1163 O GLN A 11 -13.007 1.135 9.063 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.804 1.013 8.124 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.034 1.303 9.612 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.678 2.684 9.774 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.657 2.991 9.122 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -16.167 3.533 10.623 1.00 0.00 N ATOM 0 H GLN A 11 -15.054 3.039 5.774 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.739 2.912 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.729 1.172 7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.527 -0.033 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.677 0.538 10.047 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.087 1.267 10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.346 3.275 11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.589 4.454 10.740 1.00 0.00 H new ATOM 1177 N THR A 12 -12.471 1.075 6.948 1.00 0.00 N ATOM 1178 CA THR A 12 -11.128 0.523 7.308 1.00 0.00 C ATOM 1179 C THR A 12 -10.375 1.584 8.123 1.00 0.00 C ATOM 1180 O THR A 12 -10.630 2.763 7.972 1.00 0.00 O ATOM 1181 CB THR A 12 -10.345 0.177 6.028 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.184 -0.563 6.372 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.931 1.452 5.294 1.00 0.00 C ATOM 0 H THR A 12 -12.643 1.212 5.952 1.00 0.00 H new ATOM 0 HA THR A 12 -11.238 -0.387 7.897 1.00 0.00 H new ATOM 0 HB THR A 12 -10.985 -0.415 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.685 -0.786 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.379 1.189 4.392 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.820 2.021 5.022 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.298 2.057 5.944 1.00 0.00 H new ATOM 1191 N SER A 13 -9.440 1.192 8.971 1.00 0.00 N ATOM 1192 CA SER A 13 -8.664 2.209 9.773 1.00 0.00 C ATOM 1193 C SER A 13 -7.198 2.181 9.332 1.00 0.00 C ATOM 1194 O SER A 13 -6.394 2.988 9.757 1.00 0.00 O ATOM 1195 CB SER A 13 -8.785 1.914 11.269 1.00 0.00 C ATOM 1196 OG SER A 13 -8.277 0.614 11.537 1.00 0.00 O ATOM 0 H SER A 13 -9.182 0.220 9.141 1.00 0.00 H new ATOM 0 HA SER A 13 -9.074 3.203 9.594 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.233 2.658 11.843 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.827 1.980 11.581 1.00 0.00 H new ATOM 0 HG SER A 13 -8.352 0.425 12.496 1.00 0.00 H new ATOM 1202 N THR A 14 -6.857 1.275 8.452 1.00 0.00 N ATOM 1203 CA THR A 14 -5.459 1.199 7.931 1.00 0.00 C ATOM 1204 C THR A 14 -5.466 1.795 6.529 1.00 0.00 C ATOM 1205 O THR A 14 -6.165 1.322 5.655 1.00 0.00 O ATOM 1206 CB THR A 14 -5.013 -0.262 7.851 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.833 -0.954 6.920 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.140 -0.911 9.226 1.00 0.00 C ATOM 0 H THR A 14 -7.494 0.577 8.068 1.00 0.00 H new ATOM 0 HA THR A 14 -4.776 1.739 8.587 1.00 0.00 H new ATOM 0 HB THR A 14 -3.974 -0.309 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.357 -0.308 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.822 -1.952 9.168 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.511 -0.379 9.939 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.178 -0.867 9.555 1.00 0.00 H new ATOM 1216 N THR A 15 -4.704 2.829 6.297 1.00 0.00 N ATOM 1217 CA THR A 15 -4.691 3.452 4.939 1.00 0.00 C ATOM 1218 C THR A 15 -3.294 3.967 4.620 1.00 0.00 C ATOM 1219 O THR A 15 -2.569 4.401 5.492 1.00 0.00 O ATOM 1220 CB THR A 15 -5.661 4.636 4.921 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.032 5.765 5.509 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.909 4.286 5.722 1.00 0.00 C ATOM 0 H THR A 15 -4.092 3.269 6.984 1.00 0.00 H new ATOM 0 HA THR A 15 -4.986 2.706 4.201 1.00 0.00 H new ATOM 0 HB THR A 15 -5.940 4.861 3.892 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.653 6.198 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.599 5.130 5.708 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.393 3.415 5.280 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.630 4.062 6.752 1.00 0.00 H new ATOM 1230 N THR A 16 -2.916 3.950 3.372 1.00 0.00 N ATOM 1231 CA THR A 16 -1.574 4.470 3.014 1.00 0.00 C ATOM 1232 C THR A 16 -1.636 6.000 3.087 1.00 0.00 C ATOM 1233 O THR A 16 -0.740 6.643 3.598 1.00 0.00 O ATOM 1234 CB THR A 16 -1.187 4.015 1.599 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.034 4.646 0.651 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.318 2.488 1.464 1.00 0.00 C ATOM 0 H THR A 16 -3.475 3.601 2.593 1.00 0.00 H new ATOM 0 HA THR A 16 -0.820 4.088 3.702 1.00 0.00 H new ATOM 0 HB THR A 16 -0.150 4.295 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.786 4.357 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.039 2.187 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.659 2.001 2.183 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.349 2.193 1.659 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.712 6.585 2.613 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.857 8.076 2.691 1.00 0.00 C ATOM 1246 C LEU A 17 -4.343 8.400 2.912 1.00 0.00 C ATOM 1247 O LEU A 17 -5.204 7.886 2.223 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.344 8.742 1.395 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.716 10.115 1.709 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.367 9.937 2.452 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.503 10.888 0.389 1.00 0.00 C ATOM 0 H LEU A 17 -3.494 6.097 2.177 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.262 8.465 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.606 8.099 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.167 8.864 0.691 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.388 10.679 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.063 10.916 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.534 9.402 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.321 9.368 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.059 11.860 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.837 10.321 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.462 11.029 -0.109 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.655 9.238 3.868 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.083 9.580 4.129 1.00 0.00 C ATOM 1265 C TRP A 18 -6.579 10.587 3.087 1.00 0.00 C ATOM 1266 O TRP A 18 -5.961 11.606 2.853 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.189 10.204 5.530 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.125 9.117 6.559 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.090 8.892 7.403 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.121 8.096 6.855 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.389 7.792 8.189 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.629 7.272 7.892 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.392 7.808 6.328 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.368 6.201 8.390 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.140 6.727 6.827 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.628 5.927 7.855 1.00 0.00 C ATOM 0 H TRP A 18 -3.981 9.700 4.479 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.693 8.679 4.069 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.379 10.917 5.686 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.123 10.757 5.625 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.182 9.474 7.454 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.766 7.413 8.902 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.796 8.420 5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.969 5.587 9.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.115 6.513 6.415 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.207 5.098 8.234 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.689 10.299 2.458 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.247 11.218 1.416 1.00 0.00 C ATOM 1289 C ARG A 19 -9.547 11.830 1.939 1.00 0.00 C ATOM 1290 O ARG A 19 -10.007 11.504 3.016 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.556 10.422 0.138 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.392 9.500 -0.215 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.168 10.313 -0.636 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.136 9.365 -1.161 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.044 9.797 -1.741 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.781 11.073 -1.809 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.201 8.940 -2.238 1.00 0.00 N ATOM 0 H ARG A 19 -8.240 9.457 2.623 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.521 12.001 1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.463 9.834 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.747 11.108 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.143 8.876 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.685 8.829 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.440 11.041 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.774 10.873 0.212 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.286 8.361 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.430 11.750 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.926 11.394 -2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.393 7.940 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.348 9.268 -2.691 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.156 12.692 1.169 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.450 13.316 1.580 1.00 0.00 C ATOM 1313 C ARG A 20 -12.415 13.204 0.388 1.00 0.00 C ATOM 1314 O ARG A 20 -12.016 13.367 -0.748 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.208 14.786 1.933 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.462 15.386 2.598 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.420 15.158 4.114 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.519 16.169 4.735 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.529 16.348 6.028 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.323 15.634 6.779 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.743 17.238 6.568 1.00 0.00 N ATOM 0 H ARG A 20 -9.807 12.995 0.260 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.872 12.816 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.355 14.870 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.961 15.348 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.520 16.453 2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.358 14.929 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.422 15.239 4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.063 14.152 4.333 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.894 16.722 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.935 14.937 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.331 15.773 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.121 17.793 5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.750 17.379 7.578 1.00 0.00 H new ATOM 1335 N SER A 21 -13.677 12.928 0.625 1.00 0.00 N ATOM 1336 CA SER A 21 -14.651 12.807 -0.516 1.00 0.00 C ATOM 1337 C SER A 21 -15.309 14.177 -0.776 1.00 0.00 C ATOM 1338 O SER A 21 -15.262 15.054 0.060 1.00 0.00 O ATOM 1339 CB SER A 21 -15.713 11.743 -0.178 1.00 0.00 C ATOM 1340 OG SER A 21 -17.012 12.319 -0.243 1.00 0.00 O ATOM 0 H SER A 21 -14.076 12.782 1.552 1.00 0.00 H new ATOM 0 HA SER A 21 -14.127 12.496 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.640 10.909 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.533 11.341 0.819 1.00 0.00 H new ATOM 0 HG SER A 21 -17.683 11.638 -0.029 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.902 14.368 -1.941 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.550 15.671 -2.282 1.00 0.00 C ATOM 1348 C PRO A 22 -17.560 16.141 -1.217 1.00 0.00 C ATOM 1349 O PRO A 22 -17.927 17.299 -1.174 1.00 0.00 O ATOM 1350 CB PRO A 22 -17.250 15.359 -3.626 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.932 13.901 -4.025 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.962 13.310 -2.993 1.00 0.00 C ATOM 0 HA PRO A 22 -15.832 16.489 -2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.327 15.498 -3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.906 16.046 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.848 13.311 -4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.490 13.869 -5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -16.326 12.364 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.981 13.116 -3.426 1.00 0.00 H new ATOM 1360 N MET A 23 -18.016 15.258 -0.364 1.00 0.00 N ATOM 1361 CA MET A 23 -19.007 15.666 0.686 1.00 0.00 C ATOM 1362 C MET A 23 -18.278 15.943 2.004 1.00 0.00 C ATOM 1363 O MET A 23 -18.877 16.333 2.988 1.00 0.00 O ATOM 1364 CB MET A 23 -20.024 14.541 0.890 1.00 0.00 C ATOM 1365 CG MET A 23 -20.876 14.388 -0.371 1.00 0.00 C ATOM 1366 SD MET A 23 -22.078 13.054 -0.124 1.00 0.00 S ATOM 1367 CE MET A 23 -23.063 13.331 -1.618 1.00 0.00 C ATOM 0 H MET A 23 -17.747 14.274 -0.347 1.00 0.00 H new ATOM 0 HA MET A 23 -19.523 16.570 0.364 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.509 13.606 1.109 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.660 14.763 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.393 15.322 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.241 14.166 -1.228 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.872 12.602 -1.661 1.00 0.00 H new ATOM 0 HE2 MET A 23 -23.482 14.337 -1.596 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.429 13.221 -2.498 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.989 15.739 2.030 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.210 15.982 3.279 1.00 0.00 C ATOM 1379 C GLY A 24 -16.220 14.719 4.142 1.00 0.00 C ATOM 1380 O GLY A 24 -16.104 14.782 5.350 1.00 0.00 O ATOM 0 H GLY A 24 -16.439 15.413 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.185 16.258 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.641 16.816 3.832 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.354 13.569 3.533 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.372 12.294 4.306 1.00 0.00 C ATOM 1386 C ASP A 25 -14.964 11.650 4.283 1.00 0.00 C ATOM 1387 O ASP A 25 -14.486 11.285 3.227 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.351 11.336 3.623 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.753 11.948 3.629 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.961 12.897 4.367 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.595 11.455 2.898 1.00 0.00 O ATOM 0 H ASP A 25 -16.453 13.459 2.524 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.668 12.490 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.032 11.142 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.359 10.377 4.141 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.292 11.488 5.412 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.935 10.851 5.401 1.00 0.00 C ATOM 1398 C PRO A 26 -12.938 9.499 4.663 1.00 0.00 C ATOM 1399 O PRO A 26 -13.841 8.702 4.820 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.643 10.682 6.905 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.616 11.588 7.675 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.799 11.912 6.752 1.00 0.00 C ATOM 0 HA PRO A 26 -12.184 11.439 4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.771 9.642 7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.611 10.953 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.965 11.090 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.116 12.504 7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.697 11.365 7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.051 12.972 6.773 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.930 9.236 3.867 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.873 7.929 3.124 1.00 0.00 C ATOM 1412 C VAL A 27 -10.422 7.425 3.039 1.00 0.00 C ATOM 1413 O VAL A 27 -9.485 8.185 3.185 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.463 8.097 1.710 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.999 8.032 1.786 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.017 9.455 1.104 1.00 0.00 C ATOM 0 H VAL A 27 -11.145 9.865 3.697 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.465 7.192 3.667 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.099 7.293 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.418 8.151 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.303 7.068 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.366 8.831 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.439 9.564 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.369 10.269 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.929 9.487 1.044 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.228 6.141 2.797 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.840 5.594 2.698 1.00 0.00 C ATOM 1428 C CYS A 28 -8.286 5.812 1.279 1.00 0.00 C ATOM 1429 O CYS A 28 -9.019 6.049 0.340 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.819 4.095 3.080 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.651 3.064 1.841 1.00 0.00 S ATOM 0 H CYS A 28 -10.973 5.457 2.665 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.200 6.127 3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.786 3.764 3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.303 3.961 4.047 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.586 2.367 2.414 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.987 5.771 1.138 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.343 6.018 -0.190 1.00 0.00 C ATOM 1438 C ASN A 29 -7.014 5.218 -1.308 1.00 0.00 C ATOM 1439 O ASN A 29 -7.145 5.697 -2.417 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.875 5.604 -0.109 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.168 5.989 -1.408 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.759 5.952 -2.468 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.921 6.363 -1.371 1.00 0.00 N ATOM 0 H ASN A 29 -6.334 5.574 1.897 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.445 7.078 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.394 6.092 0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.797 4.529 0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.441 6.625 -2.232 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.424 6.394 -0.481 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.421 4.012 -1.057 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.051 3.218 -2.152 1.00 0.00 C ATOM 1452 C ALA A 30 -9.481 3.708 -2.454 1.00 0.00 C ATOM 1453 O ALA A 30 -9.820 3.948 -3.596 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.067 1.748 -1.762 1.00 0.00 C ATOM 0 H ALA A 30 -7.349 3.541 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.462 3.351 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.527 1.165 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.046 1.403 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.640 1.621 -0.844 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.331 3.850 -1.464 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.728 4.311 -1.759 1.00 0.00 C ATOM 1462 C CYS A 31 -11.689 5.660 -2.469 1.00 0.00 C ATOM 1463 O CYS A 31 -12.423 5.901 -3.394 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.535 4.501 -0.470 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.970 2.909 0.259 1.00 0.00 S ATOM 0 H CYS A 31 -10.125 3.671 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.196 3.548 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.955 5.086 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.441 5.067 -0.684 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.980 2.479 0.984 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.864 6.550 -2.022 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.824 7.889 -2.660 1.00 0.00 C ATOM 1472 C GLY A 32 -10.591 7.756 -4.165 1.00 0.00 C ATOM 1473 O GLY A 32 -11.335 8.289 -4.965 1.00 0.00 O ATOM 0 H GLY A 32 -10.216 6.413 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.761 8.415 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.030 8.488 -2.214 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.561 7.064 -4.558 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.275 6.914 -6.014 1.00 0.00 C ATOM 1479 C LEU A 33 -10.379 6.107 -6.703 1.00 0.00 C ATOM 1480 O LEU A 33 -10.874 6.491 -7.742 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.943 6.187 -6.186 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.811 7.017 -5.552 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.580 6.132 -5.322 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.429 8.190 -6.474 1.00 0.00 C ATOM 0 H LEU A 33 -8.903 6.595 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.231 7.904 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.992 5.204 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.740 6.026 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.161 7.410 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.784 6.726 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.841 5.312 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.239 5.729 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.628 8.768 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.091 7.802 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.298 8.831 -6.627 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.770 4.994 -6.149 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.835 4.182 -6.806 1.00 0.00 C ATOM 1498 C TYR A 34 -13.105 5.016 -6.919 1.00 0.00 C ATOM 1499 O TYR A 34 -13.761 5.044 -7.942 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.129 2.936 -5.962 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.226 2.129 -6.617 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.567 2.452 -6.382 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.902 1.060 -7.462 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.582 1.708 -6.991 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.921 0.315 -8.071 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.261 0.641 -7.835 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.265 -0.090 -8.437 1.00 0.00 O ATOM 0 H TYR A 34 -10.403 4.613 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.498 3.880 -7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.228 2.331 -5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.430 3.228 -4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.818 3.276 -5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.867 0.810 -7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.617 1.958 -6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.672 -0.510 -8.722 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.869 -0.794 -8.992 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.456 5.691 -5.867 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.680 6.525 -5.876 1.00 0.00 C ATOM 1519 C TYR A 35 -14.558 7.638 -6.925 1.00 0.00 C ATOM 1520 O TYR A 35 -15.449 7.872 -7.712 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.847 7.159 -4.488 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.261 7.640 -4.326 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.244 6.757 -3.867 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.589 8.959 -4.643 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.563 7.191 -3.724 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -17.910 9.399 -4.504 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.899 8.514 -4.042 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.203 8.946 -3.905 1.00 0.00 O ATOM 0 H TYR A 35 -12.938 5.700 -4.988 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.541 5.903 -6.121 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.608 6.431 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.152 7.991 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.982 5.738 -3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.826 9.638 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.322 6.510 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.169 10.418 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.265 9.889 -4.166 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.468 8.344 -6.918 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.294 9.476 -7.875 1.00 0.00 C ATOM 1540 C LYS A 36 -13.441 9.016 -9.330 1.00 0.00 C ATOM 1541 O LYS A 36 -14.052 9.696 -10.128 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.903 10.076 -7.651 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.594 11.121 -8.728 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.342 11.922 -8.341 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.081 11.075 -8.545 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.048 10.550 -9.940 1.00 0.00 N ATOM 0 H LYS A 36 -12.681 8.188 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.070 10.220 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.853 10.536 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.151 9.287 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.439 10.630 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.443 11.794 -8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.281 12.828 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.412 12.237 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.192 11.676 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.068 10.248 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.078 10.611 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.359 9.558 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.684 11.115 -10.539 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.902 7.897 -9.703 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.054 7.473 -11.125 1.00 0.00 C ATOM 1562 C LEU A 37 -14.541 7.318 -11.462 1.00 0.00 C ATOM 1563 O LEU A 37 -15.015 7.859 -12.441 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.291 6.157 -11.349 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.851 6.465 -11.811 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.102 7.301 -10.758 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -10.099 5.155 -12.054 1.00 0.00 C ATOM 0 H LEU A 37 -12.372 7.265 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.635 8.231 -11.787 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.271 5.575 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.802 5.552 -12.098 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.902 7.040 -12.736 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.090 7.504 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.628 8.243 -10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.057 6.749 -9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.082 5.374 -12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.067 4.577 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.611 4.579 -12.825 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.283 6.606 -10.655 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.745 6.442 -10.925 1.00 0.00 C ATOM 1581 C HIS A 38 -17.515 7.381 -10.000 1.00 0.00 C ATOM 1582 O HIS A 38 -18.075 8.353 -10.445 1.00 0.00 O ATOM 1583 CB HIS A 38 -17.145 4.995 -10.640 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.386 4.086 -11.567 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -16.946 3.583 -12.731 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -15.106 3.590 -11.521 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -16.014 2.821 -13.331 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -14.874 2.790 -12.636 1.00 0.00 N ATOM 0 H HIS A 38 -14.941 6.130 -9.820 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.971 6.679 -11.965 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.927 4.742 -9.602 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.218 4.866 -10.781 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.389 3.790 -10.739 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.169 2.297 -14.263 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.018 2.288 -12.872 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.524 7.042 -8.724 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.235 7.829 -7.641 1.00 0.00 C ATOM 1598 C GLN A 39 -19.352 6.984 -7.027 1.00 0.00 C ATOM 1599 O GLN A 39 -20.496 7.386 -6.963 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.800 9.184 -8.140 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.079 8.999 -9.011 1.00 0.00 C ATOM 1602 CD GLN A 39 -21.326 9.490 -8.259 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -22.345 8.826 -8.248 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.284 10.634 -7.629 1.00 0.00 N ATOM 0 H GLN A 39 -17.046 6.213 -8.371 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.488 8.065 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.033 9.817 -7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.038 9.703 -8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.971 9.550 -9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.197 7.948 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -20.429 11.190 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -22.106 10.971 -7.128 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.008 5.817 -6.544 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.004 4.926 -5.895 1.00 0.00 C ATOM 1615 C VAL A 40 -19.297 4.138 -4.790 1.00 0.00 C ATOM 1616 O VAL A 40 -18.090 4.006 -4.790 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.570 3.948 -6.914 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.521 4.675 -7.866 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.426 3.325 -7.711 1.00 0.00 C ATOM 0 H VAL A 40 -18.060 5.442 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.818 5.523 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.120 3.166 -6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.921 3.967 -8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.341 5.113 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.980 5.464 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.831 2.624 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.874 4.109 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.756 2.796 -7.033 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.034 3.599 -3.860 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.390 2.806 -2.773 1.00 0.00 C ATOM 1631 C ASN A 41 -19.185 1.369 -3.269 1.00 0.00 C ATOM 1632 O ASN A 41 -19.915 0.909 -4.123 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.306 2.787 -1.546 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.633 2.113 -1.906 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.156 2.313 -2.983 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.201 1.317 -1.044 1.00 0.00 N ATOM 0 H ASN A 41 -21.050 3.672 -3.804 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.432 3.252 -2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.824 2.251 -0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.486 3.804 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.085 0.863 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -21.762 1.149 -0.139 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.205 0.650 -2.754 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.973 -0.766 -3.216 1.00 0.00 C ATOM 1645 C ARG A 42 -18.010 -1.724 -1.999 1.00 0.00 C ATOM 1646 O ARG A 42 -17.651 -1.331 -0.906 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.597 -0.847 -3.913 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.441 -0.614 -2.914 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.426 0.846 -2.407 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.012 1.346 -2.339 1.00 0.00 N ATOM 1651 CZ ARG A 42 -13.057 0.628 -1.796 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -13.329 -0.497 -1.193 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.825 1.058 -1.825 1.00 0.00 N ATOM 0 H ARG A 42 -17.559 0.981 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.754 -1.060 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.483 -1.824 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.547 -0.104 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.545 -1.294 -2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.490 -0.845 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.013 1.478 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.890 0.903 -1.422 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.789 2.264 -2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.293 -0.827 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.578 -1.046 -0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.606 1.950 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.081 0.502 -1.404 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.423 -2.974 -2.163 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.451 -3.928 -1.010 1.00 0.00 C ATOM 1669 C PRO A 43 -17.133 -3.940 -0.214 1.00 0.00 C ATOM 1670 O PRO A 43 -16.069 -3.684 -0.740 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.700 -5.284 -1.700 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.122 -5.018 -3.159 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.892 -3.527 -3.473 1.00 0.00 C ATOM 0 HA PRO A 43 -19.205 -3.664 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.798 -5.895 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.478 -5.839 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.543 -5.642 -3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.171 -5.278 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.148 -3.390 -4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.807 -3.040 -3.812 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.206 -4.247 1.053 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.975 -4.294 1.898 1.00 0.00 C ATOM 1683 C LEU A 44 -15.165 -5.543 1.540 1.00 0.00 C ATOM 1684 O LEU A 44 -14.197 -5.878 2.191 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.385 -4.340 3.381 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.570 -2.914 3.909 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.737 -2.238 3.182 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.863 -2.963 5.412 1.00 0.00 C ATOM 0 H LEU A 44 -18.072 -4.469 1.544 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.365 -3.409 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.311 -4.904 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.623 -4.858 3.963 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.659 -2.343 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.864 -1.224 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.528 -2.202 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.651 -2.807 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.995 -1.949 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.773 -3.537 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.030 -3.438 5.930 1.00 0.00 H new ATOM 1700 N THR A 45 -15.558 -6.235 0.510 1.00 0.00 N ATOM 1701 CA THR A 45 -14.808 -7.456 0.114 1.00 0.00 C ATOM 1702 C THR A 45 -13.396 -7.052 -0.312 1.00 0.00 C ATOM 1703 O THR A 45 -12.518 -7.880 -0.461 1.00 0.00 O ATOM 1704 CB THR A 45 -15.523 -8.140 -1.053 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.565 -7.252 -2.162 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.948 -8.505 -0.634 1.00 0.00 C ATOM 0 H THR A 45 -16.364 -6.009 -0.073 1.00 0.00 H new ATOM 0 HA THR A 45 -14.755 -8.148 0.954 1.00 0.00 H new ATOM 0 HB THR A 45 -14.986 -9.046 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.021 -7.687 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.458 -8.992 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.914 -9.183 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.489 -7.600 -0.357 1.00 0.00 H new ATOM 1714 N MET A 46 -13.169 -5.776 -0.509 1.00 0.00 N ATOM 1715 CA MET A 46 -11.811 -5.302 -0.926 1.00 0.00 C ATOM 1716 C MET A 46 -11.049 -4.846 0.320 1.00 0.00 C ATOM 1717 O MET A 46 -9.878 -4.526 0.274 1.00 0.00 O ATOM 1718 CB MET A 46 -11.967 -4.125 -1.899 1.00 0.00 C ATOM 1719 CG MET A 46 -10.672 -3.925 -2.691 1.00 0.00 C ATOM 1720 SD MET A 46 -10.853 -2.480 -3.770 1.00 0.00 S ATOM 1721 CE MET A 46 -9.820 -3.057 -5.142 1.00 0.00 C ATOM 0 H MET A 46 -13.867 -5.040 -0.399 1.00 0.00 H new ATOM 0 HA MET A 46 -11.263 -6.105 -1.419 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.795 -4.314 -2.582 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.210 -3.217 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.833 -3.783 -2.010 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.454 -4.813 -3.285 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.799 -2.299 -5.925 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.806 -3.237 -4.784 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.232 -3.983 -5.544 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.727 -4.803 1.430 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.093 -4.356 2.700 1.00 0.00 C ATOM 1733 C ARG A 47 -10.274 -5.493 3.326 1.00 0.00 C ATOM 1734 O ARG A 47 -10.742 -6.606 3.471 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.207 -3.927 3.652 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.637 -3.524 5.010 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.792 -3.095 5.911 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.317 -3.049 7.324 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.072 -2.534 8.251 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.259 -2.090 7.945 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.646 -2.480 9.483 1.00 0.00 N ATOM 0 H ARG A 47 -12.710 -5.063 1.513 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.414 -3.526 2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.757 -3.090 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.917 -4.744 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.097 -4.359 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.923 -2.708 4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.163 -2.116 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.623 -3.794 5.816 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.399 -3.422 7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.592 -2.147 6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.854 -1.686 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.722 -2.841 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.237 -2.077 10.210 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.052 -5.205 3.708 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.171 -6.240 4.343 1.00 0.00 C ATOM 1757 C LYS A 48 -7.727 -5.730 5.718 1.00 0.00 C ATOM 1758 O LYS A 48 -7.437 -4.563 5.892 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.942 -6.459 3.456 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.083 -7.601 4.010 1.00 0.00 C ATOM 1761 CD LYS A 48 -4.867 -7.792 3.101 1.00 0.00 C ATOM 1762 CE LYS A 48 -3.981 -8.916 3.641 1.00 0.00 C ATOM 1763 NZ LYS A 48 -3.226 -8.426 4.829 1.00 0.00 N ATOM 0 H LYS A 48 -8.622 -4.286 3.606 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.711 -7.180 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.256 -6.692 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.353 -5.543 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.762 -7.372 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.665 -8.521 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.193 -8.030 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.297 -6.865 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.592 -9.776 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.288 -9.250 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.514 -9.133 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.752 -7.531 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.884 -8.272 5.619 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.691 -6.588 6.701 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.290 -6.161 8.077 1.00 0.00 C ATOM 1779 C ASP A 49 -5.895 -5.518 8.070 1.00 0.00 C ATOM 1780 O ASP A 49 -5.362 -5.168 9.104 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.274 -7.392 8.986 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.514 -8.244 8.705 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.577 -7.670 8.541 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.376 -9.454 8.652 1.00 0.00 O ATOM 0 H ASP A 49 -7.924 -7.577 6.611 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.005 -5.423 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.370 -7.976 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.258 -7.086 10.032 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.303 -5.349 6.918 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.951 -4.718 6.853 1.00 0.00 C ATOM 1791 C GLY A 50 -3.765 -4.057 5.488 1.00 0.00 C ATOM 1792 O GLY A 50 -4.603 -4.175 4.615 1.00 0.00 O ATOM 0 H GLY A 50 -5.697 -5.621 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.845 -3.977 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.178 -5.470 7.014 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.663 -3.382 5.280 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.419 -2.746 3.959 1.00 0.00 C ATOM 1798 C ILE A 51 -1.675 -3.743 3.068 1.00 0.00 C ATOM 1799 O ILE A 51 -0.737 -4.389 3.490 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.567 -1.489 4.147 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.203 -0.613 5.244 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.499 -0.715 2.821 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.694 0.825 5.135 1.00 0.00 C ATOM 0 H ILE A 51 -1.924 -3.246 5.970 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.366 -2.468 3.496 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.555 -1.763 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.289 -0.630 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.963 -1.018 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.892 0.181 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.051 -1.346 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.505 -0.430 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.151 1.433 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.610 0.837 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.957 1.231 4.158 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.080 -3.868 1.838 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.384 -4.815 0.927 1.00 0.00 C ATOM 1817 C GLN A 52 -0.068 -4.175 0.476 1.00 0.00 C ATOM 1818 O GLN A 52 0.066 -2.970 0.467 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.264 -5.118 -0.296 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.547 -5.833 0.145 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.569 -4.806 0.642 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.854 -4.738 1.820 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.134 -3.995 -0.212 1.00 0.00 N ATOM 0 H GLN A 52 -2.860 -3.357 1.424 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.186 -5.751 1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.514 -4.192 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.716 -5.740 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.963 -6.400 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.322 -6.548 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.896 -4.050 -1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.813 -3.306 0.111 1.00 0.00 H new ATOM 1832 N THR A 53 0.917 -4.965 0.127 1.00 0.00 N ATOM 1833 CA THR A 53 2.232 -4.386 -0.310 1.00 0.00 C ATOM 1834 C THR A 53 2.753 -5.135 -1.532 1.00 0.00 C ATOM 1835 O THR A 53 2.355 -6.244 -1.830 1.00 0.00 O ATOM 1836 CB THR A 53 3.258 -4.479 0.825 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.563 -4.607 0.274 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.945 -5.688 1.696 1.00 0.00 C ATOM 0 H THR A 53 0.871 -5.984 0.125 1.00 0.00 H new ATOM 0 HA THR A 53 2.081 -3.338 -0.567 1.00 0.00 H new ATOM 0 HB THR A 53 3.211 -3.576 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.220 -4.665 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.675 -5.754 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.946 -5.583 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.990 -6.594 1.091 1.00 0.00 H new ATOM 1846 N ARG A 54 3.636 -4.501 -2.245 1.00 0.00 N ATOM 1847 CA ARG A 54 4.213 -5.106 -3.476 1.00 0.00 C ATOM 1848 C ARG A 54 5.616 -4.542 -3.709 1.00 0.00 C ATOM 1849 O ARG A 54 6.071 -3.673 -2.991 1.00 0.00 O ATOM 1850 CB ARG A 54 3.315 -4.753 -4.659 1.00 0.00 C ATOM 1851 CG ARG A 54 3.338 -3.236 -4.874 1.00 0.00 C ATOM 1852 CD ARG A 54 2.156 -2.829 -5.749 1.00 0.00 C ATOM 1853 NE ARG A 54 1.994 -3.815 -6.847 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.887 -3.845 -7.526 1.00 0.00 C ATOM 1855 NH1 ARG A 54 -0.087 -3.038 -7.205 1.00 0.00 N ATOM 1856 NH2 ARG A 54 0.750 -4.666 -8.513 1.00 0.00 N ATOM 0 H ARG A 54 3.990 -3.570 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 54 4.276 -6.189 -3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.659 -5.265 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.296 -5.090 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.288 -2.721 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.274 -2.939 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.246 -2.781 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.320 -1.833 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 54 2.748 -4.466 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.024 -2.389 -6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.959 -3.056 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.513 -5.295 -8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.121 -4.686 -9.043 1.00 0.00 H new ATOM 1870 N ASN A 55 6.302 -5.017 -4.709 1.00 0.00 N ATOM 1871 CA ASN A 55 7.666 -4.485 -4.975 1.00 0.00 C ATOM 1872 C ASN A 55 7.559 -2.987 -5.276 1.00 0.00 C ATOM 1873 O ASN A 55 6.683 -2.536 -5.989 1.00 0.00 O ATOM 1874 CB ASN A 55 8.303 -5.220 -6.155 1.00 0.00 C ATOM 1875 CG ASN A 55 9.792 -4.888 -6.209 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.434 -4.764 -5.187 1.00 0.00 O ATOM 1877 ND2 ASN A 55 10.374 -4.736 -7.365 1.00 0.00 N ATOM 0 H ASN A 55 5.981 -5.744 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 55 8.298 -4.640 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.162 -6.295 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.819 -4.926 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.368 -4.513 -7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.835 -4.840 -8.225 1.00 0.00 H new ATOM 1884 N ARG A 56 8.434 -2.216 -4.692 1.00 0.00 N ATOM 1885 CA ARG A 56 8.400 -0.736 -4.875 1.00 0.00 C ATOM 1886 C ARG A 56 8.803 -0.312 -6.286 1.00 0.00 C ATOM 1887 O ARG A 56 9.761 -0.805 -6.849 1.00 0.00 O ATOM 1888 CB ARG A 56 9.402 -0.087 -3.915 1.00 0.00 C ATOM 1889 CG ARG A 56 9.035 -0.404 -2.469 1.00 0.00 C ATOM 1890 CD ARG A 56 9.874 0.476 -1.538 1.00 0.00 C ATOM 1891 NE ARG A 56 9.581 0.122 -0.122 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.378 0.515 0.832 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.412 1.262 0.558 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.135 0.166 2.066 1.00 0.00 N ATOM 0 H ARG A 56 9.182 -2.553 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 56 7.375 -0.419 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.408 -0.449 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.413 0.992 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.973 -0.224 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.217 -1.458 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.935 0.337 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.650 1.528 -1.715 1.00 0.00 H new ATOM 0 HE ARG A 56 8.753 -0.430 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.599 1.540 -0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.033 1.568 1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.323 -0.413 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.757 0.472 2.814 1.00 0.00 H new ATOM 1908 N LYS A 57 8.094 0.646 -6.829 1.00 0.00 N ATOM 1909 CA LYS A 57 8.427 1.193 -8.178 1.00 0.00 C ATOM 1910 C LYS A 57 9.948 1.319 -8.307 1.00 0.00 C ATOM 1911 O LYS A 57 10.642 1.375 -7.311 1.00 0.00 O ATOM 1912 CB LYS A 57 7.794 2.580 -8.259 1.00 0.00 C ATOM 1913 CG LYS A 57 8.091 3.223 -9.611 1.00 0.00 C ATOM 1914 CD LYS A 57 7.448 4.606 -9.674 1.00 0.00 C ATOM 1915 CE LYS A 57 5.926 4.520 -9.474 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.279 5.664 -10.167 1.00 0.00 N ATOM 0 H LYS A 57 7.284 1.079 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 57 8.058 0.545 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.716 2.504 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.179 3.210 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.168 3.305 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.707 2.596 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.883 5.247 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.666 5.068 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.547 3.578 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.685 4.539 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.249 5.612 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.634 6.557 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.501 5.625 -11.182 1.00 0.00 H new ATOM 1930 N VAL A 58 10.487 1.383 -9.503 1.00 0.00 N ATOM 1931 CA VAL A 58 11.971 1.529 -9.617 1.00 0.00 C ATOM 1932 C VAL A 58 12.375 2.701 -8.725 1.00 0.00 C ATOM 1933 O VAL A 58 11.749 3.743 -8.744 1.00 0.00 O ATOM 1934 CB VAL A 58 12.374 1.806 -11.071 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.559 2.974 -11.628 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.863 2.160 -11.124 1.00 0.00 C ATOM 0 H VAL A 58 9.976 1.341 -10.385 1.00 0.00 H new ATOM 0 HA VAL A 58 12.472 0.612 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 58 12.181 0.916 -11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.853 3.163 -12.661 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.498 2.727 -11.592 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.745 3.866 -11.029 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.154 2.358 -12.156 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.048 3.047 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.449 1.327 -10.735 1.00 0.00 H new