USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 334 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: A1155 CYS SG : rot -84:sc= -0.64 USER MOD Set 1.2: A1158 CYS SG : rot -57:sc= 2.11 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= 0.405 USER MOD Set 1.4: A1194 CYS SG : rot 43:sc= -3.46! USER MOD Set 2.1: A1167 CYS SG : rot -27:sc= -0.179 USER MOD Set 2.2: A1170 CYS SG : rot -92:sc= 1.21 USER MOD Set 2.3: A1173 CYS SG : rot -24:sc= -0.695! USER MOD Set 2.4: A1189 CYS SG : rot 100:sc= -0.38 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A1162 GLN : amide:sc= -2.77! C(o=-2.8!,f=-2.5!) USER MOD Single : A1171 THR OG1 : rot 180:sc= 0 USER MOD Single : A1172 ASN : amide:sc= -5.28 X(o=-5.3,f=-5.3!) USER MOD Single : A1176 LYS NZ :NH3+ 166:sc= 0.244 (180deg=0.0931) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN :FLIP amide:sc= -0.292 F(o=-1.8,f=-0.29) USER MOD Single : A1185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1187 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.92) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1191 MET CE :methyl -158:sc= -0.065 (180deg=-0.396) USER MOD Single : A1193 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0508) USER MOD Single : A1195 GLN : amide:sc=-0.00335 X(o=-0.0033,f=-0.41) USER MOD Single : A1196 ASN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.910 -0.602 2.715 1.00 0.00 N ATOM 179 CA ARG A1154 11.372 0.621 2.142 1.00 0.00 C ATOM 180 C ARG A1154 12.216 1.828 2.516 1.00 0.00 C ATOM 181 O ARG A1154 12.792 1.901 3.603 1.00 0.00 O ATOM 182 CB ARG A1154 9.929 0.841 2.599 1.00 0.00 C ATOM 183 CG ARG A1154 9.113 -0.436 2.663 1.00 0.00 C ATOM 184 CD ARG A1154 7.663 -0.197 2.271 1.00 0.00 C ATOM 185 NE ARG A1154 6.735 -0.892 3.160 1.00 0.00 N ATOM 186 CZ ARG A1154 5.441 -0.597 3.259 1.00 0.00 C ATOM 187 NH1 ARG A1154 4.917 0.378 2.526 1.00 0.00 N ATOM 188 NH2 ARG A1154 4.668 -1.277 4.094 1.00 0.00 N ATOM 0 HA ARG A1154 11.393 0.509 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.935 1.308 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.443 1.540 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A1154 9.551 -1.182 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.154 -0.844 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A1154 7.453 0.872 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A1154 7.504 -0.533 1.246 1.00 0.00 H new ATOM 0 HE ARG A1154 7.100 -1.648 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A1154 5.507 0.906 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A1154 3.925 0.599 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A1154 5.065 -2.026 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A1154 3.676 -1.051 4.170 1.00 0.00 H new ATOM 202 N CYS A1155 12.278 2.768 1.593 1.00 0.00 N ATOM 203 CA CYS A1155 13.043 3.993 1.775 1.00 0.00 C ATOM 204 C CYS A1155 12.489 4.838 2.921 1.00 0.00 C ATOM 205 O CYS A1155 13.227 5.237 3.821 1.00 0.00 O ATOM 206 CB CYS A1155 13.046 4.801 0.478 1.00 0.00 C ATOM 207 SG CYS A1155 11.400 5.174 -0.173 1.00 0.00 S ATOM 0 H CYS A1155 11.800 2.707 0.694 1.00 0.00 H new ATOM 0 HA CYS A1155 14.065 3.716 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.577 5.738 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.606 4.250 -0.278 1.00 0.00 H new ATOM 0 HG CYS A1155 10.976 4.170 -0.881 1.00 0.00 H new ATOM 213 N GLY A1156 11.190 5.106 2.883 1.00 0.00 N ATOM 214 CA GLY A1156 10.567 5.902 3.925 1.00 0.00 C ATOM 215 C GLY A1156 10.402 7.363 3.541 1.00 0.00 C ATOM 216 O GLY A1156 10.284 8.225 4.412 1.00 0.00 O ATOM 0 H GLY A1156 10.556 4.787 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.589 5.481 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A1156 11.168 5.837 4.832 1.00 0.00 H new ATOM 220 N GLN A1157 10.400 7.651 2.240 1.00 0.00 N ATOM 221 CA GLN A1157 10.256 9.026 1.769 1.00 0.00 C ATOM 222 C GLN A1157 9.731 9.075 0.334 1.00 0.00 C ATOM 223 O GLN A1157 9.997 10.028 -0.400 1.00 0.00 O ATOM 224 CB GLN A1157 11.596 9.758 1.862 1.00 0.00 C ATOM 225 CG GLN A1157 11.705 10.672 3.073 1.00 0.00 C ATOM 226 CD GLN A1157 13.143 10.966 3.455 1.00 0.00 C ATOM 227 OE1 GLN A1157 13.965 11.310 2.605 1.00 0.00 O ATOM 228 NE2 GLN A1157 13.454 10.831 4.739 1.00 0.00 N ATOM 0 H GLN A1157 10.496 6.956 1.499 1.00 0.00 H new ATOM 0 HA GLN A1157 9.528 9.523 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.401 9.023 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.742 10.348 0.957 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.190 11.609 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A1157 11.195 10.210 3.919 1.00 0.00 H new ATOM 0 HE21 GLN A1157 12.741 10.544 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A1157 14.406 11.015 5.055 1.00 0.00 H new ATOM 237 N CYS A1158 8.976 8.054 -0.056 1.00 0.00 N ATOM 238 CA CYS A1158 8.405 7.993 -1.399 1.00 0.00 C ATOM 239 C CYS A1158 6.886 8.134 -1.329 1.00 0.00 C ATOM 240 O CYS A1158 6.309 8.191 -0.242 1.00 0.00 O ATOM 241 CB CYS A1158 8.788 6.679 -2.087 1.00 0.00 C ATOM 242 SG CYS A1158 8.071 5.216 -1.316 1.00 0.00 S ATOM 0 H CYS A1158 8.745 7.257 0.537 1.00 0.00 H new ATOM 0 HA CYS A1158 8.808 8.818 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.472 6.720 -3.129 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.874 6.583 -2.087 1.00 0.00 H new ATOM 0 HG CYS A1158 8.416 5.173 -0.063 1.00 0.00 H new ATOM 248 N PRO A1159 6.216 8.196 -2.488 1.00 0.00 N ATOM 249 CA PRO A1159 4.758 8.338 -2.552 1.00 0.00 C ATOM 250 C PRO A1159 4.035 7.245 -1.772 1.00 0.00 C ATOM 251 O PRO A1159 2.951 7.468 -1.236 1.00 0.00 O ATOM 252 CB PRO A1159 4.463 8.238 -4.052 1.00 0.00 C ATOM 253 CG PRO A1159 5.729 8.676 -4.702 1.00 0.00 C ATOM 254 CD PRO A1159 6.819 8.136 -3.829 1.00 0.00 C ATOM 0 HA PRO A1159 4.411 9.269 -2.103 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.199 7.220 -4.339 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.627 8.877 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.807 8.287 -5.717 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.781 9.762 -4.772 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.092 7.118 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.725 8.738 -3.893 1.00 0.00 H new ATOM 262 N GLY A1160 4.643 6.065 -1.708 1.00 0.00 N ATOM 263 CA GLY A1160 4.045 4.958 -0.983 1.00 0.00 C ATOM 264 C GLY A1160 4.223 5.069 0.520 1.00 0.00 C ATOM 265 O GLY A1160 3.263 4.952 1.282 1.00 0.00 O ATOM 0 H GLY A1160 5.540 5.855 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.981 4.911 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.488 4.024 -1.328 1.00 0.00 H new ATOM 269 N CYS A1161 5.464 5.276 0.940 1.00 0.00 N ATOM 270 CA CYS A1161 5.808 5.382 2.349 1.00 0.00 C ATOM 271 C CYS A1161 5.115 6.563 3.026 1.00 0.00 C ATOM 272 O CYS A1161 4.907 6.553 4.240 1.00 0.00 O ATOM 273 CB CYS A1161 7.324 5.521 2.484 1.00 0.00 C ATOM 274 SG CYS A1161 8.240 4.021 2.060 1.00 0.00 S ATOM 0 H CYS A1161 6.261 5.375 0.311 1.00 0.00 H new ATOM 0 HA CYS A1161 5.463 4.477 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.663 6.335 1.843 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.563 5.803 3.509 1.00 0.00 H new ATOM 0 HG CYS A1161 8.928 3.627 3.090 1.00 0.00 H new ATOM 279 N GLN A1162 4.780 7.587 2.250 1.00 0.00 N ATOM 280 CA GLN A1162 4.134 8.776 2.800 1.00 0.00 C ATOM 281 C GLN A1162 2.622 8.608 2.951 1.00 0.00 C ATOM 282 O GLN A1162 1.936 9.545 3.356 1.00 0.00 O ATOM 283 CB GLN A1162 4.432 9.994 1.928 1.00 0.00 C ATOM 284 CG GLN A1162 3.761 9.950 0.566 1.00 0.00 C ATOM 285 CD GLN A1162 4.394 10.916 -0.415 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.710 11.738 -1.025 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.712 10.822 -0.572 1.00 0.00 N ATOM 0 H GLN A1162 4.943 7.620 1.244 1.00 0.00 H new ATOM 0 HA GLN A1162 4.547 8.925 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.109 10.893 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.510 10.075 1.789 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.820 8.938 0.166 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.703 10.188 0.676 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.240 10.126 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.194 11.446 -1.218 1.00 0.00 H new ATOM 296 N VAL A1163 2.097 7.430 2.625 1.00 0.00 N ATOM 297 CA VAL A1163 0.661 7.195 2.740 1.00 0.00 C ATOM 298 C VAL A1163 0.327 6.327 3.952 1.00 0.00 C ATOM 299 O VAL A1163 0.382 5.100 3.882 1.00 0.00 O ATOM 300 CB VAL A1163 0.078 6.525 1.482 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.437 6.502 1.554 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.527 7.248 0.227 1.00 0.00 C ATOM 0 H VAL A1163 2.635 6.634 2.284 1.00 0.00 H new ATOM 0 HA VAL A1163 0.209 8.180 2.860 1.00 0.00 H new ATOM 0 HB VAL A1163 0.448 5.501 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.837 6.026 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.751 5.941 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.814 7.523 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.102 6.756 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.187 8.283 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.615 7.225 0.164 1.00 0.00 H new ATOM 312 N PRO A1164 -0.039 6.957 5.081 1.00 0.00 N ATOM 313 CA PRO A1164 -0.397 6.241 6.304 1.00 0.00 C ATOM 314 C PRO A1164 -1.857 5.791 6.300 1.00 0.00 C ATOM 315 O PRO A1164 -2.328 5.173 7.254 1.00 0.00 O ATOM 316 CB PRO A1164 -0.171 7.297 7.379 1.00 0.00 C ATOM 317 CG PRO A1164 -0.524 8.581 6.709 1.00 0.00 C ATOM 318 CD PRO A1164 -0.143 8.418 5.257 1.00 0.00 C ATOM 0 HA PRO A1164 0.181 5.327 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.799 7.117 8.252 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.863 7.299 7.725 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.588 8.793 6.811 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.012 9.416 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.895 8.848 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.800 8.916 5.033 1.00 0.00 H new ATOM 326 N GLU A1165 -2.569 6.116 5.223 1.00 0.00 N ATOM 327 CA GLU A1165 -3.976 5.756 5.098 1.00 0.00 C ATOM 328 C GLU A1165 -4.261 5.100 3.749 1.00 0.00 C ATOM 329 O GLU A1165 -3.352 4.867 2.953 1.00 0.00 O ATOM 330 CB GLU A1165 -4.845 7.003 5.254 1.00 0.00 C ATOM 331 CG GLU A1165 -4.553 8.077 4.216 1.00 0.00 C ATOM 332 CD GLU A1165 -4.683 9.480 4.775 1.00 0.00 C ATOM 333 OE1 GLU A1165 -5.820 9.990 4.840 1.00 0.00 O ATOM 334 OE2 GLU A1165 -3.646 10.068 5.148 1.00 0.00 O ATOM 0 H GLU A1165 -2.193 6.628 4.425 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.213 5.040 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.894 6.717 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.694 7.420 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.544 7.937 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -5.237 7.960 3.376 1.00 0.00 H new ATOM 341 N ASP A1166 -5.536 4.815 3.500 1.00 0.00 N ATOM 342 CA ASP A1166 -5.962 4.198 2.251 1.00 0.00 C ATOM 343 C ASP A1166 -6.490 5.258 1.289 1.00 0.00 C ATOM 344 O ASP A1166 -7.439 5.971 1.615 1.00 0.00 O ATOM 345 CB ASP A1166 -7.045 3.157 2.534 1.00 0.00 C ATOM 346 CG ASP A1166 -6.466 1.817 2.940 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.567 1.319 2.230 1.00 0.00 O ATOM 348 OD2 ASP A1166 -6.910 1.267 3.970 1.00 0.00 O ATOM 0 H ASP A1166 -6.296 5.004 4.153 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.106 3.707 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.698 3.523 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.663 3.029 1.645 1.00 0.00 H new ATOM 353 N CYS A1167 -5.880 5.372 0.104 1.00 0.00 N ATOM 354 CA CYS A1167 -6.319 6.362 -0.869 1.00 0.00 C ATOM 355 C CYS A1167 -7.827 6.268 -1.069 1.00 0.00 C ATOM 356 O CYS A1167 -8.524 7.283 -1.086 1.00 0.00 O ATOM 357 CB CYS A1167 -5.576 6.185 -2.192 1.00 0.00 C ATOM 358 SG CYS A1167 -5.923 4.636 -3.047 1.00 0.00 S ATOM 0 H CYS A1167 -5.093 4.797 -0.196 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.085 7.356 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.833 7.014 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.504 6.248 -2.003 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.259 3.727 -2.180 1.00 0.00 H new ATOM 364 N GLY A1168 -8.335 5.041 -1.172 1.00 0.00 N ATOM 365 CA GLY A1168 -9.763 4.854 -1.309 1.00 0.00 C ATOM 366 C GLY A1168 -10.256 4.750 -2.729 1.00 0.00 C ATOM 367 O GLY A1168 -11.433 4.998 -2.991 1.00 0.00 O ATOM 0 H GLY A1168 -7.785 4.182 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.049 3.949 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.272 5.686 -0.823 1.00 0.00 H new ATOM 371 N VAL A1169 -9.374 4.429 -3.655 1.00 0.00 N ATOM 372 CA VAL A1169 -9.778 4.354 -5.045 1.00 0.00 C ATOM 373 C VAL A1169 -9.068 3.248 -5.828 1.00 0.00 C ATOM 374 O VAL A1169 -9.430 2.969 -6.970 1.00 0.00 O ATOM 375 CB VAL A1169 -9.552 5.716 -5.694 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.353 6.763 -4.929 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.070 6.054 -5.680 1.00 0.00 C ATOM 0 H VAL A1169 -8.392 4.220 -3.476 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.835 4.091 -5.071 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.886 5.698 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.200 7.742 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.412 6.508 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.021 6.789 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.914 7.028 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.713 6.082 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.518 5.295 -6.235 1.00 0.00 H new ATOM 387 N CYS A1170 -8.090 2.590 -5.210 1.00 0.00 N ATOM 388 CA CYS A1170 -7.398 1.492 -5.869 1.00 0.00 C ATOM 389 C CYS A1170 -8.094 0.187 -5.500 1.00 0.00 C ATOM 390 O CYS A1170 -8.789 0.124 -4.497 1.00 0.00 O ATOM 391 CB CYS A1170 -5.918 1.455 -5.482 1.00 0.00 C ATOM 392 SG CYS A1170 -5.610 1.195 -3.722 1.00 0.00 S ATOM 0 H CYS A1170 -7.764 2.796 -4.266 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.438 1.636 -6.949 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.428 0.660 -6.045 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.453 2.393 -5.785 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.502 2.345 -3.126 1.00 0.00 H new ATOM 398 N THR A1171 -7.934 -0.843 -6.317 1.00 0.00 N ATOM 399 CA THR A1171 -8.601 -2.128 -6.054 1.00 0.00 C ATOM 400 C THR A1171 -8.449 -2.562 -4.591 1.00 0.00 C ATOM 401 O THR A1171 -9.396 -3.056 -3.974 1.00 0.00 O ATOM 402 CB THR A1171 -8.068 -3.238 -6.982 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.415 -4.254 -6.239 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.091 -2.752 -8.031 1.00 0.00 C ATOM 0 H THR A1171 -7.358 -0.825 -7.159 1.00 0.00 H new ATOM 0 HA THR A1171 -9.661 -1.975 -6.259 1.00 0.00 H new ATOM 0 HB THR A1171 -8.956 -3.617 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.088 -4.947 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.764 -3.594 -8.642 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.577 -2.011 -8.665 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.227 -2.301 -7.543 1.00 0.00 H new ATOM 412 N ASN A1172 -7.253 -2.384 -4.055 1.00 0.00 N ATOM 413 CA ASN A1172 -6.954 -2.769 -2.680 1.00 0.00 C ATOM 414 C ASN A1172 -7.772 -1.977 -1.663 1.00 0.00 C ATOM 415 O ASN A1172 -8.350 -2.546 -0.737 1.00 0.00 O ATOM 416 CB ASN A1172 -5.468 -2.567 -2.412 1.00 0.00 C ATOM 417 CG ASN A1172 -4.598 -3.308 -3.410 1.00 0.00 C ATOM 418 OD1 ASN A1172 -4.850 -4.470 -3.727 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.570 -2.636 -3.911 1.00 0.00 N ATOM 0 H ASN A1172 -6.465 -1.972 -4.554 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.223 -3.819 -2.565 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.235 -1.503 -2.450 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.233 -2.909 -1.404 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -2.951 -3.082 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.399 -1.674 -3.619 1.00 0.00 H new ATOM 426 N CYS A1173 -7.810 -0.668 -1.839 1.00 0.00 N ATOM 427 CA CYS A1173 -8.548 0.210 -0.940 1.00 0.00 C ATOM 428 C CYS A1173 -10.036 0.029 -1.143 1.00 0.00 C ATOM 429 O CYS A1173 -10.790 -0.137 -0.194 1.00 0.00 O ATOM 430 CB CYS A1173 -8.153 1.663 -1.179 1.00 0.00 C ATOM 431 SG CYS A1173 -6.561 2.103 -0.450 1.00 0.00 S ATOM 0 H CYS A1173 -7.336 -0.184 -2.601 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.301 -0.052 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.117 1.850 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -8.925 2.314 -0.768 1.00 0.00 H new ATOM 0 HG CYS A1173 -6.301 1.302 0.541 1.00 0.00 H new ATOM 436 N LEU A1174 -10.445 0.038 -2.393 1.00 0.00 N ATOM 437 CA LEU A1174 -11.834 -0.153 -2.741 1.00 0.00 C ATOM 438 C LEU A1174 -12.305 -1.507 -2.242 1.00 0.00 C ATOM 439 O LEU A1174 -13.490 -1.714 -1.981 1.00 0.00 O ATOM 440 CB LEU A1174 -11.991 -0.017 -4.246 1.00 0.00 C ATOM 441 CG LEU A1174 -11.475 1.310 -4.781 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.515 1.331 -6.298 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.285 2.448 -4.177 1.00 0.00 C ATOM 0 H LEU A1174 -9.827 0.177 -3.192 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.454 0.606 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.458 -0.832 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.044 -0.123 -4.507 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.433 1.439 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.142 2.289 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.891 0.528 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.541 1.191 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.916 3.400 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.335 2.331 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.185 2.430 -3.092 1.00 0.00 H new ATOM 455 N ASP A1175 -11.351 -2.415 -2.078 1.00 0.00 N ATOM 456 CA ASP A1175 -11.637 -3.740 -1.571 1.00 0.00 C ATOM 457 C ASP A1175 -12.038 -3.669 -0.092 1.00 0.00 C ATOM 458 O ASP A1175 -12.572 -4.632 0.460 1.00 0.00 O ATOM 459 CB ASP A1175 -10.410 -4.634 -1.755 1.00 0.00 C ATOM 460 CG ASP A1175 -10.521 -5.515 -2.982 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.660 -5.844 -3.377 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.469 -5.878 -3.550 1.00 0.00 O ATOM 0 H ASP A1175 -10.367 -2.251 -2.292 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.471 -4.166 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.519 -4.012 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.283 -5.259 -0.871 1.00 0.00 H new ATOM 467 N LYS A1176 -11.786 -2.516 0.544 1.00 0.00 N ATOM 468 CA LYS A1176 -12.129 -2.321 1.949 1.00 0.00 C ATOM 469 C LYS A1176 -13.624 -2.064 2.112 1.00 0.00 C ATOM 470 O LYS A1176 -14.286 -1.609 1.184 1.00 0.00 O ATOM 471 CB LYS A1176 -11.352 -1.136 2.515 1.00 0.00 C ATOM 472 CG LYS A1176 -9.947 -1.476 2.962 1.00 0.00 C ATOM 473 CD LYS A1176 -8.982 -0.376 2.577 1.00 0.00 C ATOM 474 CE LYS A1176 -7.623 -0.936 2.217 1.00 0.00 C ATOM 475 NZ LYS A1176 -6.810 -1.260 3.423 1.00 0.00 N ATOM 0 H LYS A1176 -11.346 -1.708 0.103 1.00 0.00 H new ATOM 0 HA LYS A1176 -11.865 -3.229 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.302 -0.353 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.902 -0.726 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -9.929 -1.621 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.634 -2.417 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -9.383 0.182 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -8.880 0.327 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.751 -1.835 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -7.086 -0.214 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.000 -1.851 3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -6.465 -0.380 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.397 -1.776 4.109 1.00 0.00 H new ATOM 489 N PRO A1177 -14.173 -2.337 3.308 1.00 0.00 N ATOM 490 CA PRO A1177 -15.594 -2.119 3.589 1.00 0.00 C ATOM 491 C PRO A1177 -15.960 -0.639 3.589 1.00 0.00 C ATOM 492 O PRO A1177 -17.107 -0.271 3.335 1.00 0.00 O ATOM 493 CB PRO A1177 -15.782 -2.719 4.985 1.00 0.00 C ATOM 494 CG PRO A1177 -14.427 -2.678 5.605 1.00 0.00 C ATOM 495 CD PRO A1177 -13.449 -2.861 4.478 1.00 0.00 C ATOM 0 HA PRO A1177 -16.233 -2.572 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.501 -2.144 5.569 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.160 -3.740 4.929 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.260 -1.730 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.315 -3.465 6.350 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.524 -2.313 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.179 -3.909 4.347 1.00 0.00 H new ATOM 503 N LYS A1178 -14.974 0.206 3.875 1.00 0.00 N ATOM 504 CA LYS A1178 -15.184 1.649 3.912 1.00 0.00 C ATOM 505 C LYS A1178 -15.173 2.248 2.505 1.00 0.00 C ATOM 506 O LYS A1178 -15.631 3.371 2.298 1.00 0.00 O ATOM 507 CB LYS A1178 -14.105 2.318 4.770 1.00 0.00 C ATOM 508 CG LYS A1178 -12.725 2.321 4.128 1.00 0.00 C ATOM 509 CD LYS A1178 -11.783 3.281 4.836 1.00 0.00 C ATOM 510 CE LYS A1178 -10.674 2.538 5.562 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.906 3.435 6.469 1.00 0.00 N ATOM 0 H LYS A1178 -14.019 -0.085 4.085 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.163 1.833 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.403 3.346 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.048 1.805 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.308 1.314 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.811 2.602 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -11.348 3.967 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -12.345 3.885 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -11.103 1.719 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -9.997 2.093 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.159 2.890 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -9.475 4.202 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -10.547 3.840 7.181 1.00 0.00 H new ATOM 525 N PHE A1179 -14.642 1.497 1.544 1.00 0.00 N ATOM 526 CA PHE A1179 -14.569 1.966 0.165 1.00 0.00 C ATOM 527 C PHE A1179 -15.527 1.193 -0.739 1.00 0.00 C ATOM 528 O PHE A1179 -15.396 1.220 -1.963 1.00 0.00 O ATOM 529 CB PHE A1179 -13.137 1.839 -0.355 1.00 0.00 C ATOM 530 CG PHE A1179 -12.195 2.807 0.290 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.419 4.166 0.176 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.102 2.368 1.026 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.584 5.072 0.784 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.252 3.272 1.631 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.493 4.628 1.513 1.00 0.00 C ATOM 0 H PHE A1179 -14.257 0.564 1.695 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.868 3.014 0.149 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.782 0.823 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.132 1.998 -1.433 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.262 4.521 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.915 1.309 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.778 6.131 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.401 2.921 2.195 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.833 5.339 1.988 1.00 0.00 H new ATOM 545 N GLY A1180 -16.493 0.508 -0.132 1.00 0.00 N ATOM 546 CA GLY A1180 -17.460 -0.255 -0.902 1.00 0.00 C ATOM 547 C GLY A1180 -17.168 -1.745 -0.908 1.00 0.00 C ATOM 548 O GLY A1180 -18.038 -2.552 -1.236 1.00 0.00 O ATOM 0 H GLY A1180 -16.623 0.468 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.456 -0.087 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.471 0.112 -1.928 1.00 0.00 H new ATOM 552 N GLY A1181 -15.943 -2.112 -0.546 1.00 0.00 N ATOM 553 CA GLY A1181 -15.563 -3.514 -0.517 1.00 0.00 C ATOM 554 C GLY A1181 -16.213 -4.274 0.624 1.00 0.00 C ATOM 555 O GLY A1181 -17.326 -3.949 1.039 1.00 0.00 O ATOM 0 H GLY A1181 -15.205 -1.463 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -15.839 -3.981 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.479 -3.591 -0.428 1.00 0.00 H new ATOM 559 N ARG A1182 -15.522 -5.294 1.127 1.00 0.00 N ATOM 560 CA ARG A1182 -16.046 -6.107 2.220 1.00 0.00 C ATOM 561 C ARG A1182 -14.937 -6.569 3.167 1.00 0.00 C ATOM 562 O ARG A1182 -15.132 -7.498 3.950 1.00 0.00 O ATOM 563 CB ARG A1182 -16.777 -7.324 1.655 1.00 0.00 C ATOM 564 CG ARG A1182 -17.914 -6.963 0.714 1.00 0.00 C ATOM 565 CD ARG A1182 -19.063 -7.953 0.821 1.00 0.00 C ATOM 566 NE ARG A1182 -20.316 -7.396 0.317 1.00 0.00 N ATOM 567 CZ ARG A1182 -20.628 -7.322 -0.975 1.00 0.00 C ATOM 568 NH1 ARG A1182 -19.782 -7.765 -1.896 1.00 0.00 N ATOM 569 NH2 ARG A1182 -21.791 -6.802 -1.346 1.00 0.00 N ATOM 0 H ARG A1182 -14.600 -5.576 0.796 1.00 0.00 H new ATOM 0 HA ARG A1182 -16.738 -5.488 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -16.063 -7.954 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -17.173 -7.916 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -18.274 -5.960 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.546 -6.941 -0.312 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.817 -8.856 0.262 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -19.191 -8.248 1.862 1.00 0.00 H new ATOM 0 HE ARG A1182 -20.991 -7.043 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -18.887 -8.165 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -20.027 -7.705 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -22.444 -6.460 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -22.032 -6.745 -2.336 1.00 0.00 H new ATOM 583 N ASN A1183 -13.776 -5.924 3.093 1.00 0.00 N ATOM 584 CA ASN A1183 -12.647 -6.286 3.948 1.00 0.00 C ATOM 585 C ASN A1183 -12.214 -7.732 3.704 1.00 0.00 C ATOM 586 O ASN A1183 -11.507 -8.322 4.521 1.00 0.00 O ATOM 587 CB ASN A1183 -13.016 -6.103 5.422 1.00 0.00 C ATOM 588 CG ASN A1183 -11.824 -5.708 6.273 1.00 0.00 C ATOM 589 OD1 ASN A1183 -11.112 -4.670 5.852 1.00 0.00 O flip ATOM 590 ND2 ASN A1183 -11.549 -6.329 7.301 1.00 0.00 N flip ATOM 0 H ASN A1183 -13.592 -5.151 2.453 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.815 -5.627 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.789 -5.339 5.508 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -13.441 -7.031 5.805 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -12.124 -7.121 7.587 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -10.746 -6.051 7.866 1.00 0.00 H new ATOM 597 N ILE A1184 -12.647 -8.299 2.582 1.00 0.00 N ATOM 598 CA ILE A1184 -12.307 -9.673 2.238 1.00 0.00 C ATOM 599 C ILE A1184 -10.984 -9.738 1.487 1.00 0.00 C ATOM 600 O ILE A1184 -10.141 -10.591 1.763 1.00 0.00 O ATOM 601 CB ILE A1184 -13.423 -10.321 1.395 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.459 -9.732 -0.018 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.760 -10.111 2.081 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.538 -10.330 -0.894 1.00 0.00 C ATOM 0 H ILE A1184 -13.235 -7.826 1.895 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.204 -10.229 3.170 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.219 -11.388 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.613 -8.655 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.490 -9.887 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.550 -10.569 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.738 -10.570 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.954 -9.043 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.505 -9.866 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.374 -11.403 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.514 -10.152 -0.442 1.00 0.00 H new ATOM 616 N LYS A1185 -10.810 -8.826 0.539 1.00 0.00 N ATOM 617 CA LYS A1185 -9.591 -8.770 -0.250 1.00 0.00 C ATOM 618 C LYS A1185 -8.488 -8.067 0.528 1.00 0.00 C ATOM 619 O LYS A1185 -7.314 -8.407 0.394 1.00 0.00 O ATOM 620 CB LYS A1185 -9.846 -8.037 -1.570 1.00 0.00 C ATOM 621 CG LYS A1185 -9.620 -8.898 -2.799 1.00 0.00 C ATOM 622 CD LYS A1185 -8.153 -8.924 -3.199 1.00 0.00 C ATOM 623 CE LYS A1185 -7.444 -10.145 -2.635 1.00 0.00 C ATOM 624 NZ LYS A1185 -6.353 -10.616 -3.531 1.00 0.00 N ATOM 0 H LYS A1185 -11.501 -8.115 0.299 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.274 -9.790 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.872 -7.669 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.194 -7.165 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -9.962 -9.914 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -10.217 -8.516 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -8.071 -8.924 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -7.661 -8.019 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -7.031 -9.905 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -8.166 -10.949 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -5.894 -11.450 -3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -6.750 -10.870 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -5.651 -9.858 -3.651 1.00 0.00 H new ATOM 638 N LYS A1186 -8.889 -7.084 1.341 1.00 0.00 N ATOM 639 CA LYS A1186 -7.953 -6.300 2.164 1.00 0.00 C ATOM 640 C LYS A1186 -6.500 -6.487 1.720 1.00 0.00 C ATOM 641 O LYS A1186 -5.760 -7.274 2.310 1.00 0.00 O ATOM 642 CB LYS A1186 -8.102 -6.683 3.638 1.00 0.00 C ATOM 643 CG LYS A1186 -8.079 -5.490 4.581 1.00 0.00 C ATOM 644 CD LYS A1186 -6.800 -5.451 5.405 1.00 0.00 C ATOM 645 CE LYS A1186 -6.208 -4.051 5.451 1.00 0.00 C ATOM 646 NZ LYS A1186 -5.712 -3.703 6.811 1.00 0.00 N ATOM 0 H LYS A1186 -9.865 -6.808 1.449 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.204 -5.248 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -9.039 -7.223 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.298 -7.367 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -8.170 -4.569 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.940 -5.536 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -7.009 -5.792 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.071 -6.141 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -5.388 -3.980 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -6.963 -3.327 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -5.316 -2.741 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -6.499 -3.746 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.974 -4.378 7.094 1.00 0.00 H new ATOM 660 N GLN A1187 -6.104 -5.771 0.671 1.00 0.00 N ATOM 661 CA GLN A1187 -4.746 -5.875 0.149 1.00 0.00 C ATOM 662 C GLN A1187 -3.939 -4.618 0.452 1.00 0.00 C ATOM 663 O GLN A1187 -4.458 -3.655 1.015 1.00 0.00 O ATOM 664 CB GLN A1187 -4.782 -6.114 -1.362 1.00 0.00 C ATOM 665 CG GLN A1187 -5.325 -7.478 -1.753 1.00 0.00 C ATOM 666 CD GLN A1187 -4.519 -8.618 -1.162 1.00 0.00 C ATOM 667 OE1 GLN A1187 -3.652 -9.189 -1.823 1.00 0.00 O ATOM 668 NE2 GLN A1187 -4.805 -8.958 0.091 1.00 0.00 N ATOM 0 H GLN A1187 -6.702 -5.115 0.168 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.261 -6.719 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -5.394 -5.342 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.774 -6.006 -1.762 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.361 -7.561 -1.423 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -5.329 -7.566 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.532 -8.457 0.602 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -4.297 -9.720 0.541 1.00 0.00 H new ATOM 677 N CYS A1188 -2.667 -4.635 0.066 1.00 0.00 N ATOM 678 CA CYS A1188 -1.786 -3.495 0.288 1.00 0.00 C ATOM 679 C CYS A1188 -2.117 -2.367 -0.683 1.00 0.00 C ATOM 680 O CYS A1188 -2.000 -2.527 -1.898 1.00 0.00 O ATOM 681 CB CYS A1188 -0.322 -3.913 0.127 1.00 0.00 C ATOM 682 SG CYS A1188 0.467 -4.438 1.665 1.00 0.00 S ATOM 0 H CYS A1188 -2.224 -5.426 -0.402 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.939 -3.136 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.265 -4.728 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.240 -3.077 -0.290 1.00 0.00 H new ATOM 0 HG CYS A1188 1.700 -4.774 1.427 1.00 0.00 H new ATOM 688 N CYS A1189 -2.535 -1.229 -0.139 1.00 0.00 N ATOM 689 CA CYS A1189 -2.893 -0.071 -0.953 1.00 0.00 C ATOM 690 C CYS A1189 -1.838 0.213 -2.023 1.00 0.00 C ATOM 691 O CYS A1189 -0.647 0.316 -1.731 1.00 0.00 O ATOM 692 CB CYS A1189 -3.085 1.157 -0.060 1.00 0.00 C ATOM 693 SG CYS A1189 -3.160 2.730 -0.949 1.00 0.00 S ATOM 0 H CYS A1189 -2.635 -1.083 0.866 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.829 -0.296 -1.463 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.005 1.034 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.266 1.199 0.658 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.401 3.095 -1.081 1.00 0.00 H new ATOM 698 N LYS A1190 -2.299 0.339 -3.262 1.00 0.00 N ATOM 699 CA LYS A1190 -1.423 0.612 -4.395 1.00 0.00 C ATOM 700 C LYS A1190 -0.626 1.900 -4.186 1.00 0.00 C ATOM 701 O LYS A1190 0.553 1.970 -4.534 1.00 0.00 O ATOM 702 CB LYS A1190 -2.253 0.711 -5.677 1.00 0.00 C ATOM 703 CG LYS A1190 -3.086 -0.528 -5.959 1.00 0.00 C ATOM 704 CD LYS A1190 -3.494 -0.601 -7.421 1.00 0.00 C ATOM 705 CE LYS A1190 -3.833 -2.023 -7.836 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.643 -2.748 -8.360 1.00 0.00 N ATOM 0 H LYS A1190 -3.285 0.255 -3.509 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.713 -0.210 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -2.914 1.575 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.585 0.889 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.517 -1.419 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -3.977 -0.520 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.356 0.044 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.684 -0.222 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.240 -2.563 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.611 -2.003 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -2.917 -3.714 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.270 -2.247 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -1.910 -2.790 -7.623 1.00 0.00 H new ATOM 720 N MET A1191 -1.272 2.917 -3.621 1.00 0.00 N ATOM 721 CA MET A1191 -0.616 4.195 -3.375 1.00 0.00 C ATOM 722 C MET A1191 0.293 4.127 -2.152 1.00 0.00 C ATOM 723 O MET A1191 1.121 5.009 -1.943 1.00 0.00 O ATOM 724 CB MET A1191 -1.659 5.295 -3.178 1.00 0.00 C ATOM 725 CG MET A1191 -2.674 5.383 -4.307 1.00 0.00 C ATOM 726 SD MET A1191 -2.179 6.541 -5.596 1.00 0.00 S ATOM 727 CE MET A1191 -2.394 8.104 -4.749 1.00 0.00 C ATOM 0 H MET A1191 -2.248 2.880 -3.326 1.00 0.00 H new ATOM 0 HA MET A1191 -0.003 4.426 -4.246 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.186 5.120 -2.240 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.150 6.254 -3.083 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.811 4.394 -4.745 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.638 5.688 -3.901 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.513 8.902 -5.482 1.00 0.00 H new ATOM 0 HE2 MET A1191 -3.281 8.056 -4.117 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.519 8.307 -4.131 1.00 0.00 H new ATOM 737 N ARG A1192 0.126 3.085 -1.342 1.00 0.00 N ATOM 738 CA ARG A1192 0.925 2.913 -0.135 1.00 0.00 C ATOM 739 C ARG A1192 2.183 2.108 -0.414 1.00 0.00 C ATOM 740 O ARG A1192 3.224 2.319 0.210 1.00 0.00 O ATOM 741 CB ARG A1192 0.100 2.206 0.930 1.00 0.00 C ATOM 742 CG ARG A1192 -0.870 3.127 1.645 1.00 0.00 C ATOM 743 CD ARG A1192 -1.770 2.365 2.605 1.00 0.00 C ATOM 744 NE ARG A1192 -1.580 2.791 3.986 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.184 2.218 5.025 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.025 1.208 4.840 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.946 2.655 6.253 1.00 0.00 N ATOM 0 H ARG A1192 -0.558 2.345 -1.502 1.00 0.00 H new ATOM 0 HA ARG A1192 1.221 3.901 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.457 1.391 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.772 1.758 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.313 3.886 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.482 3.650 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.812 2.513 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.566 1.297 2.524 1.00 0.00 H new ATOM 0 HE ARG A1192 -0.949 3.572 4.166 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.212 0.866 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.484 0.774 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.300 3.430 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.409 2.216 7.049 1.00 0.00 H new ATOM 761 N LYS A1193 2.075 1.178 -1.348 1.00 0.00 N ATOM 762 CA LYS A1193 3.200 0.321 -1.711 1.00 0.00 C ATOM 763 C LYS A1193 4.422 1.158 -2.077 1.00 0.00 C ATOM 764 O LYS A1193 4.379 1.976 -2.995 1.00 0.00 O ATOM 765 CB LYS A1193 2.821 -0.589 -2.881 1.00 0.00 C ATOM 766 CG LYS A1193 2.039 -1.823 -2.462 1.00 0.00 C ATOM 767 CD LYS A1193 2.931 -3.052 -2.385 1.00 0.00 C ATOM 768 CE LYS A1193 3.314 -3.375 -0.950 1.00 0.00 C ATOM 769 NZ LYS A1193 4.701 -2.936 -0.633 1.00 0.00 N ATOM 0 H LYS A1193 1.219 0.994 -1.872 1.00 0.00 H new ATOM 0 HA LYS A1193 3.448 -0.296 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A1193 2.229 -0.019 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.729 -0.902 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A1193 1.575 -1.648 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A1193 1.233 -2.002 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A1193 2.415 -3.905 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A1193 3.833 -2.886 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A1193 2.615 -2.889 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A1193 3.226 -4.449 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 4.849 -2.969 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 5.381 -3.568 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 4.843 -1.963 -0.972 1.00 0.00 H new ATOM 783 N CYS A1194 5.505 0.953 -1.335 1.00 0.00 N ATOM 784 CA CYS A1194 6.739 1.691 -1.557 1.00 0.00 C ATOM 785 C CYS A1194 7.248 1.516 -2.985 1.00 0.00 C ATOM 786 O CYS A1194 7.075 0.466 -3.603 1.00 0.00 O ATOM 787 CB CYS A1194 7.807 1.251 -0.553 1.00 0.00 C ATOM 788 SG CYS A1194 9.425 2.014 -0.811 1.00 0.00 S ATOM 0 H CYS A1194 5.551 0.278 -0.572 1.00 0.00 H new ATOM 0 HA CYS A1194 6.526 2.750 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.463 1.487 0.454 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.916 0.168 -0.607 1.00 0.00 H new ATOM 0 HG CYS A1194 9.273 3.281 -1.061 1.00 0.00 H new ATOM 793 N GLN A1195 7.868 2.572 -3.497 1.00 0.00 N ATOM 794 CA GLN A1195 8.404 2.591 -4.848 1.00 0.00 C ATOM 795 C GLN A1195 9.912 2.351 -4.859 1.00 0.00 C ATOM 796 O GLN A1195 10.453 1.791 -5.812 1.00 0.00 O ATOM 797 CB GLN A1195 8.099 3.947 -5.480 1.00 0.00 C ATOM 798 CG GLN A1195 6.781 3.979 -6.231 1.00 0.00 C ATOM 799 CD GLN A1195 6.630 5.215 -7.096 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.556 5.610 -7.803 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.455 5.833 -7.045 1.00 0.00 N ATOM 0 H GLN A1195 8.013 3.441 -2.983 1.00 0.00 H new ATOM 0 HA GLN A1195 7.935 1.788 -5.417 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.083 4.708 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.905 4.210 -6.165 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.703 3.090 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A1195 5.959 3.938 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A1195 4.714 5.471 -6.445 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.294 6.669 -7.606 1.00 0.00 H new ATOM 810 N ASN A1196 10.586 2.790 -3.802 1.00 0.00 N ATOM 811 CA ASN A1196 12.030 2.637 -3.700 1.00 0.00 C ATOM 812 C ASN A1196 12.418 2.050 -2.350 1.00 0.00 C ATOM 813 O ASN A1196 12.183 2.652 -1.306 1.00 0.00 O ATOM 814 CB ASN A1196 12.711 3.994 -3.915 1.00 0.00 C ATOM 815 CG ASN A1196 14.166 4.008 -3.484 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.954 3.151 -3.884 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.524 4.986 -2.661 1.00 0.00 N ATOM 0 H ASN A1196 10.154 3.255 -3.004 1.00 0.00 H new ATOM 0 HA ASN A1196 12.365 1.946 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.649 4.261 -4.970 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.167 4.758 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.488 5.050 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.835 5.674 -2.356 1.00 0.00 H new ATOM 824 N LEU A1197 13.017 0.869 -2.382 1.00 0.00 N ATOM 825 CA LEU A1197 13.434 0.202 -1.160 1.00 0.00 C ATOM 826 C LEU A1197 14.867 -0.307 -1.281 1.00 0.00 C ATOM 827 O LEU A1197 15.333 -0.625 -2.375 1.00 0.00 O ATOM 828 CB LEU A1197 12.500 -0.971 -0.852 1.00 0.00 C ATOM 829 CG LEU A1197 11.066 -0.840 -1.377 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.830 -1.796 -2.526 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.063 -1.117 -0.275 1.00 0.00 C ATOM 0 H LEU A1197 13.224 0.355 -3.238 1.00 0.00 H new ATOM 0 HA LEU A1197 13.386 0.927 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.938 -1.878 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.460 -1.104 0.229 1.00 0.00 H new ATOM 0 HG LEU A1197 10.932 0.183 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.806 -1.688 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.524 -1.570 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A1197 10.989 -2.819 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.052 -1.018 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.208 -2.129 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.207 -0.403 0.536 1.00 0.00 H new