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 -69:sc= -3.28 USER MOD Set 1.2: A1158 CYS SG : rot -142:sc= 1.95 USER MOD Set 1.3: A1161 CYS SG : rot 82:sc= 0.0062 USER MOD Set 1.4: A1194 CYS SG : rot 123:sc= -2.95 USER MOD Set 1.5: A1196 ASN : amide:sc= -5.41 K(o=-9.7,f=-14!) USER MOD Set 2.1: A1171 THR OG1 : rot 180:sc= -0.0297 USER MOD Set 2.2: A1185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A1167 CYS SG : rot 180:sc= -1.33! USER MOD Set 3.2: A1170 CYS SG : rot -82:sc= 0.656 USER MOD Set 3.3: A1173 CYS SG : rot 60:sc= -1.02! USER MOD Set 3.4: A1189 CYS SG : rot 98:sc= 0.0869 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -2.75! C(o=-2.8!,f=-2.5!) USER MOD Single : A1172 ASN : amide:sc= -4.42! C(o=-4.4!,f=-3.9!) USER MOD Single : A1176 LYS NZ :NH3+ 156:sc= -1.04 (180deg=-1.49) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.6!) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1187 GLN : amide:sc= 0.799 K(o=0.8,f=-0.35) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1190 LYS NZ :NH3+ -177:sc= -0.426 (180deg=-0.464) USER MOD Single : A1191 MET CE :methyl -128:sc= -3.09! (180deg=-4.62!) USER MOD Single : A1193 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0391) USER MOD Single : A1195 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.631 -0.539 2.399 1.00 0.00 N ATOM 179 CA ARG A1154 11.162 0.677 1.758 1.00 0.00 C ATOM 180 C ARG A1154 12.058 1.860 2.104 1.00 0.00 C ATOM 181 O ARG A1154 12.588 1.958 3.212 1.00 0.00 O ATOM 182 CB ARG A1154 9.718 0.973 2.172 1.00 0.00 C ATOM 183 CG ARG A1154 8.831 -0.264 2.218 1.00 0.00 C ATOM 184 CD ARG A1154 8.350 -0.554 3.631 1.00 0.00 C ATOM 185 NE ARG A1154 7.469 -1.719 3.680 1.00 0.00 N ATOM 186 CZ ARG A1154 7.260 -2.449 4.774 1.00 0.00 C ATOM 187 NH1 ARG A1154 7.863 -2.135 5.916 1.00 0.00 N ATOM 188 NH2 ARG A1154 6.445 -3.493 4.728 1.00 0.00 N ATOM 0 HA ARG A1154 11.199 0.525 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.720 1.445 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.289 1.692 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A1154 7.972 -0.121 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.383 -1.123 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A1154 9.210 -0.722 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A1154 7.822 0.317 4.020 1.00 0.00 H new ATOM 0 HE ARG A1154 6.985 -1.989 2.824 1.00 0.00 H new ATOM 0 HH11 ARG A1154 8.490 -1.331 5.958 1.00 0.00 H new ATOM 0 HH12 ARG A1154 7.699 -2.698 6.751 1.00 0.00 H new ATOM 0 HH21 ARG A1154 5.978 -3.737 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A1154 6.285 -4.052 5.566 1.00 0.00 H new ATOM 202 N CYS A1155 12.224 2.745 1.136 1.00 0.00 N ATOM 203 CA CYS A1155 13.057 3.929 1.293 1.00 0.00 C ATOM 204 C CYS A1155 12.613 4.776 2.485 1.00 0.00 C ATOM 205 O CYS A1155 13.431 5.150 3.327 1.00 0.00 O ATOM 206 CB CYS A1155 13.025 4.750 0.003 1.00 0.00 C ATOM 207 SG CYS A1155 11.374 5.301 -0.481 1.00 0.00 S ATOM 0 H CYS A1155 11.786 2.665 0.218 1.00 0.00 H new ATOM 0 HA CYS A1155 14.079 3.607 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.666 5.623 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.449 4.154 -0.805 1.00 0.00 H new ATOM 0 HG CYS A1155 10.666 4.276 -0.853 1.00 0.00 H new ATOM 213 N GLY A1156 11.319 5.069 2.562 1.00 0.00 N ATOM 214 CA GLY A1156 10.805 5.860 3.667 1.00 0.00 C ATOM 215 C GLY A1156 10.679 7.338 3.342 1.00 0.00 C ATOM 216 O GLY A1156 10.662 8.174 4.246 1.00 0.00 O ATOM 0 H GLY A1156 10.618 4.774 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.827 5.474 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A1156 11.463 5.739 4.528 1.00 0.00 H new ATOM 220 N GLN A1157 10.599 7.670 2.057 1.00 0.00 N ATOM 221 CA GLN A1157 10.484 9.065 1.641 1.00 0.00 C ATOM 222 C GLN A1157 9.911 9.180 0.232 1.00 0.00 C ATOM 223 O GLN A1157 10.207 10.131 -0.492 1.00 0.00 O ATOM 224 CB GLN A1157 11.851 9.748 1.700 1.00 0.00 C ATOM 225 CG GLN A1157 12.304 10.084 3.112 1.00 0.00 C ATOM 226 CD GLN A1157 13.495 11.021 3.133 1.00 0.00 C ATOM 227 OE1 GLN A1157 14.598 10.651 2.731 1.00 0.00 O ATOM 228 NE2 GLN A1157 13.279 12.243 3.605 1.00 0.00 N ATOM 0 H GLN A1157 10.611 6.998 1.290 1.00 0.00 H new ATOM 0 HA GLN A1157 9.800 9.562 2.329 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.592 9.099 1.235 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.815 10.665 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.477 10.541 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A1157 12.561 9.164 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A1157 12.348 12.508 3.928 1.00 0.00 H new ATOM 0 HE22 GLN A1157 14.044 12.917 3.645 1.00 0.00 H new ATOM 237 N CYS A1158 9.084 8.214 -0.151 1.00 0.00 N ATOM 238 CA CYS A1158 8.466 8.220 -1.472 1.00 0.00 C ATOM 239 C CYS A1158 6.956 8.404 -1.358 1.00 0.00 C ATOM 240 O CYS A1158 6.402 8.420 -0.255 1.00 0.00 O ATOM 241 CB CYS A1158 8.789 6.923 -2.222 1.00 0.00 C ATOM 242 SG CYS A1158 8.023 5.451 -1.515 1.00 0.00 S ATOM 0 H CYS A1158 8.826 7.418 0.433 1.00 0.00 H new ATOM 0 HA CYS A1158 8.874 9.058 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.466 7.025 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.870 6.785 -2.237 1.00 0.00 H new ATOM 0 HG CYS A1158 8.849 4.451 -1.595 1.00 0.00 H new ATOM 248 N PRO A1159 6.267 8.548 -2.500 1.00 0.00 N ATOM 249 CA PRO A1159 4.816 8.739 -2.528 1.00 0.00 C ATOM 250 C PRO A1159 4.078 7.625 -1.796 1.00 0.00 C ATOM 251 O PRO A1159 3.011 7.848 -1.233 1.00 0.00 O ATOM 252 CB PRO A1159 4.487 8.730 -4.025 1.00 0.00 C ATOM 253 CG PRO A1159 5.756 9.154 -4.679 1.00 0.00 C ATOM 254 CD PRO A1159 6.844 8.537 -3.854 1.00 0.00 C ATOM 0 HA PRO A1159 4.507 9.655 -2.024 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.178 7.740 -4.359 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.671 9.414 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.801 8.810 -5.712 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.845 10.240 -4.700 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.080 7.526 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.768 9.113 -3.905 1.00 0.00 H new ATOM 262 N GLY A1160 4.656 6.429 -1.809 1.00 0.00 N ATOM 263 CA GLY A1160 4.044 5.297 -1.136 1.00 0.00 C ATOM 264 C GLY A1160 4.254 5.310 0.369 1.00 0.00 C ATOM 265 O GLY A1160 3.310 5.139 1.140 1.00 0.00 O ATOM 0 H GLY A1160 5.540 6.222 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.975 5.292 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.454 4.374 -1.546 1.00 0.00 H new ATOM 269 N CYS A1161 5.503 5.493 0.776 1.00 0.00 N ATOM 270 CA CYS A1161 5.874 5.506 2.182 1.00 0.00 C ATOM 271 C CYS A1161 5.209 6.653 2.940 1.00 0.00 C ATOM 272 O CYS A1161 5.025 6.577 4.154 1.00 0.00 O ATOM 273 CB CYS A1161 7.396 5.604 2.295 1.00 0.00 C ATOM 274 SG CYS A1161 8.262 4.110 1.764 1.00 0.00 S ATOM 0 H CYS A1161 6.287 5.637 0.139 1.00 0.00 H new ATOM 0 HA CYS A1161 5.524 4.580 2.638 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.742 6.446 1.696 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.661 5.819 3.330 1.00 0.00 H new ATOM 0 HG CYS A1161 8.372 4.109 0.469 1.00 0.00 H new ATOM 279 N GLN A1162 4.859 7.717 2.225 1.00 0.00 N ATOM 280 CA GLN A1162 4.227 8.876 2.849 1.00 0.00 C ATOM 281 C GLN A1162 2.711 8.703 2.996 1.00 0.00 C ATOM 282 O GLN A1162 2.026 9.622 3.441 1.00 0.00 O ATOM 283 CB GLN A1162 4.531 10.145 2.055 1.00 0.00 C ATOM 284 CG GLN A1162 3.884 10.182 0.683 1.00 0.00 C ATOM 285 CD GLN A1162 4.545 11.188 -0.236 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.886 12.065 -0.794 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.859 11.064 -0.400 1.00 0.00 N ATOM 0 H GLN A1162 5.001 7.802 1.218 1.00 0.00 H new ATOM 0 HA GLN A1162 4.647 8.965 3.851 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.195 11.009 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.611 10.239 1.939 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.937 9.191 0.232 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.827 10.428 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.365 10.322 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.360 11.711 -1.008 1.00 0.00 H new ATOM 296 N VAL A1163 2.187 7.537 2.614 1.00 0.00 N ATOM 297 CA VAL A1163 0.750 7.283 2.710 1.00 0.00 C ATOM 298 C VAL A1163 0.408 6.413 3.920 1.00 0.00 C ATOM 299 O VAL A1163 0.478 5.188 3.854 1.00 0.00 O ATOM 300 CB VAL A1163 0.205 6.591 1.445 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.312 6.646 1.420 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.774 7.231 0.196 1.00 0.00 C ATOM 0 H VAL A1163 2.731 6.760 2.239 1.00 0.00 H new ATOM 0 HA VAL A1163 0.281 8.261 2.820 1.00 0.00 H new ATOM 0 HB VAL A1163 0.516 5.546 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.679 6.153 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.709 6.139 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.638 7.686 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.376 6.727 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.496 8.285 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.860 7.143 0.205 1.00 0.00 H new ATOM 312 N PRO A1164 0.020 7.042 5.041 1.00 0.00 N ATOM 313 CA PRO A1164 -0.350 6.331 6.263 1.00 0.00 C ATOM 314 C PRO A1164 -1.827 5.938 6.278 1.00 0.00 C ATOM 315 O PRO A1164 -2.312 5.355 7.247 1.00 0.00 O ATOM 316 CB PRO A1164 -0.075 7.378 7.334 1.00 0.00 C ATOM 317 CG PRO A1164 -0.430 8.668 6.674 1.00 0.00 C ATOM 318 CD PRO A1164 -0.097 8.500 5.210 1.00 0.00 C ATOM 0 HA PRO A1164 0.194 5.395 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.678 7.206 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.969 7.364 7.648 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.487 8.896 6.809 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.132 9.495 7.108 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.877 8.915 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.831 9.009 4.950 1.00 0.00 H new ATOM 326 N GLU A1165 -2.538 6.279 5.206 1.00 0.00 N ATOM 327 CA GLU A1165 -3.962 5.982 5.102 1.00 0.00 C ATOM 328 C GLU A1165 -4.279 5.219 3.820 1.00 0.00 C ATOM 329 O GLU A1165 -3.416 5.035 2.962 1.00 0.00 O ATOM 330 CB GLU A1165 -4.759 7.284 5.126 1.00 0.00 C ATOM 331 CG GLU A1165 -4.292 8.294 4.086 1.00 0.00 C ATOM 332 CD GLU A1165 -5.439 8.888 3.291 1.00 0.00 C ATOM 333 OE1 GLU A1165 -6.419 8.159 3.030 1.00 0.00 O ATOM 334 OE2 GLU A1165 -5.356 10.080 2.930 1.00 0.00 O ATOM 0 H GLU A1165 -2.149 6.762 4.396 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.240 5.356 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.813 7.060 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.682 7.731 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.746 9.096 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -3.594 7.810 3.403 1.00 0.00 H new ATOM 341 N ASP A1166 -5.534 4.792 3.690 1.00 0.00 N ATOM 342 CA ASP A1166 -5.980 4.069 2.513 1.00 0.00 C ATOM 343 C ASP A1166 -6.512 5.051 1.474 1.00 0.00 C ATOM 344 O ASP A1166 -7.530 5.706 1.702 1.00 0.00 O ATOM 345 CB ASP A1166 -7.066 3.069 2.908 1.00 0.00 C ATOM 346 CG ASP A1166 -6.545 1.996 3.842 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.538 1.344 3.495 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.143 1.809 4.923 1.00 0.00 O ATOM 0 H ASP A1166 -6.259 4.938 4.392 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.141 3.525 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.888 3.599 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.471 2.601 2.010 1.00 0.00 H new ATOM 353 N CYS A1167 -5.815 5.172 0.339 1.00 0.00 N ATOM 354 CA CYS A1167 -6.229 6.098 -0.712 1.00 0.00 C ATOM 355 C CYS A1167 -7.736 6.008 -0.957 1.00 0.00 C ATOM 356 O CYS A1167 -8.378 7.002 -1.300 1.00 0.00 O ATOM 357 CB CYS A1167 -5.424 5.855 -1.995 1.00 0.00 C ATOM 358 SG CYS A1167 -6.008 4.498 -3.033 1.00 0.00 S ATOM 0 H CYS A1167 -4.968 4.643 0.129 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.017 7.115 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.431 6.771 -2.586 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.387 5.660 -1.721 1.00 0.00 H new ATOM 0 HG CYS A1167 -5.248 4.397 -4.083 1.00 0.00 H new ATOM 364 N GLY A1168 -8.300 4.827 -0.723 1.00 0.00 N ATOM 365 CA GLY A1168 -9.732 4.650 -0.863 1.00 0.00 C ATOM 366 C GLY A1168 -10.237 4.653 -2.280 1.00 0.00 C ATOM 367 O GLY A1168 -11.417 4.915 -2.513 1.00 0.00 O ATOM 0 H GLY A1168 -7.790 3.990 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.014 3.707 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.237 5.443 -0.312 1.00 0.00 H new ATOM 371 N VAL A1169 -9.361 4.402 -3.231 1.00 0.00 N ATOM 372 CA VAL A1169 -9.762 4.429 -4.625 1.00 0.00 C ATOM 373 C VAL A1169 -9.082 3.347 -5.469 1.00 0.00 C ATOM 374 O VAL A1169 -9.461 3.130 -6.620 1.00 0.00 O ATOM 375 CB VAL A1169 -9.469 5.818 -5.192 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.161 6.868 -4.329 1.00 0.00 C ATOM 377 CG2 VAL A1169 -7.970 6.060 -5.220 1.00 0.00 C ATOM 0 H VAL A1169 -8.379 4.180 -3.069 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.830 4.214 -4.670 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.848 5.886 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -9.955 7.861 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.237 6.691 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -9.786 6.804 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.769 7.052 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.572 5.994 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.492 5.308 -5.847 1.00 0.00 H new ATOM 387 N CYS A1170 -8.103 2.652 -4.898 1.00 0.00 N ATOM 388 CA CYS A1170 -7.426 1.582 -5.617 1.00 0.00 C ATOM 389 C CYS A1170 -8.121 0.262 -5.303 1.00 0.00 C ATOM 390 O CYS A1170 -8.807 0.156 -4.298 1.00 0.00 O ATOM 391 CB CYS A1170 -5.940 1.527 -5.251 1.00 0.00 C ATOM 392 SG CYS A1170 -5.599 1.033 -3.547 1.00 0.00 S ATOM 0 H CYS A1170 -7.764 2.809 -3.949 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.483 1.773 -6.689 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.440 0.830 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.501 2.509 -5.425 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.728 2.062 -2.763 1.00 0.00 H new ATOM 398 N THR A1171 -7.974 -0.730 -6.166 1.00 0.00 N ATOM 399 CA THR A1171 -8.642 -2.023 -5.957 1.00 0.00 C ATOM 400 C THR A1171 -8.483 -2.522 -4.518 1.00 0.00 C ATOM 401 O THR A1171 -9.443 -2.989 -3.897 1.00 0.00 O ATOM 402 CB THR A1171 -8.116 -3.091 -6.936 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.347 -4.070 -6.256 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.253 -2.540 -8.050 1.00 0.00 C ATOM 0 H THR A1171 -7.406 -0.676 -7.012 1.00 0.00 H new ATOM 0 HA THR A1171 -9.702 -1.859 -6.148 1.00 0.00 H new ATOM 0 HB THR A1171 -9.016 -3.519 -7.377 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.026 -4.737 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.924 -3.356 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.829 -1.825 -8.637 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.383 -2.041 -7.623 1.00 0.00 H new ATOM 412 N ASN A1172 -7.269 -2.428 -4.002 1.00 0.00 N ATOM 413 CA ASN A1172 -6.963 -2.879 -2.650 1.00 0.00 C ATOM 414 C ASN A1172 -7.764 -2.124 -1.592 1.00 0.00 C ATOM 415 O ASN A1172 -8.295 -2.720 -0.656 1.00 0.00 O ATOM 416 CB ASN A1172 -5.474 -2.703 -2.381 1.00 0.00 C ATOM 417 CG ASN A1172 -4.615 -3.491 -3.349 1.00 0.00 C ATOM 418 OD1 ASN A1172 -4.906 -4.647 -3.659 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.551 -2.867 -3.837 1.00 0.00 N ATOM 0 H ASN A1172 -6.470 -2.040 -4.503 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.241 -3.931 -2.584 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.218 -1.646 -2.450 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.252 -3.019 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -2.937 -3.345 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.347 -1.909 -3.553 1.00 0.00 H new ATOM 426 N CYS A1173 -7.834 -0.812 -1.744 1.00 0.00 N ATOM 427 CA CYS A1173 -8.555 0.035 -0.800 1.00 0.00 C ATOM 428 C CYS A1173 -10.049 -0.112 -0.986 1.00 0.00 C ATOM 429 O CYS A1173 -10.791 -0.302 -0.032 1.00 0.00 O ATOM 430 CB CYS A1173 -8.140 1.489 -0.983 1.00 0.00 C ATOM 431 SG CYS A1173 -6.543 1.872 -0.240 1.00 0.00 S ATOM 0 H CYS A1173 -7.399 -0.306 -2.515 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.304 -0.280 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.102 1.718 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -8.901 2.135 -0.545 1.00 0.00 H new ATOM 0 HG CYS A1173 -5.623 1.129 -0.781 1.00 0.00 H new ATOM 436 N LEU A1174 -10.479 -0.047 -2.228 1.00 0.00 N ATOM 437 CA LEU A1174 -11.876 -0.198 -2.558 1.00 0.00 C ATOM 438 C LEU A1174 -12.354 -1.574 -2.126 1.00 0.00 C ATOM 439 O LEU A1174 -13.543 -1.793 -1.896 1.00 0.00 O ATOM 440 CB LEU A1174 -12.067 0.033 -4.047 1.00 0.00 C ATOM 441 CG LEU A1174 -11.497 1.359 -4.527 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.504 1.429 -6.044 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.282 2.506 -3.905 1.00 0.00 C ATOM 0 H LEU A1174 -9.872 0.111 -3.032 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.476 0.540 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.593 -0.779 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.131 -0.003 -4.280 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.458 1.443 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.092 2.385 -6.366 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.898 0.618 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.527 1.333 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.873 3.456 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.329 2.433 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.207 2.451 -2.819 1.00 0.00 H new ATOM 455 N ASP A1175 -11.397 -2.486 -1.975 1.00 0.00 N ATOM 456 CA ASP A1175 -11.688 -3.831 -1.522 1.00 0.00 C ATOM 457 C ASP A1175 -12.061 -3.819 -0.034 1.00 0.00 C ATOM 458 O ASP A1175 -12.514 -4.827 0.508 1.00 0.00 O ATOM 459 CB ASP A1175 -10.473 -4.726 -1.766 1.00 0.00 C ATOM 460 CG ASP A1175 -10.571 -5.479 -3.080 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.649 -6.045 -3.360 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.570 -5.502 -3.826 1.00 0.00 O ATOM 0 H ASP A1175 -10.410 -2.310 -2.163 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.535 -4.226 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.569 -4.117 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.378 -5.439 -0.947 1.00 0.00 H new ATOM 467 N LYS A1176 -11.882 -2.661 0.619 1.00 0.00 N ATOM 468 CA LYS A1176 -12.212 -2.507 2.031 1.00 0.00 C ATOM 469 C LYS A1176 -13.683 -2.130 2.199 1.00 0.00 C ATOM 470 O LYS A1176 -14.250 -1.439 1.355 1.00 0.00 O ATOM 471 CB LYS A1176 -11.338 -1.420 2.658 1.00 0.00 C ATOM 472 CG LYS A1176 -9.967 -1.907 3.094 1.00 0.00 C ATOM 473 CD LYS A1176 -8.855 -1.068 2.484 1.00 0.00 C ATOM 474 CE LYS A1176 -7.776 -0.747 3.503 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.327 -1.960 4.240 1.00 0.00 N ATOM 0 H LYS A1176 -11.508 -1.818 0.183 1.00 0.00 H new ATOM 0 HA LYS A1176 -12.028 -3.458 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.213 -0.609 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.857 -1.004 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -9.896 -1.871 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.840 -2.949 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -8.414 -1.603 1.642 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.272 -0.141 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -6.923 -0.293 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -8.155 -0.011 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.365 -1.808 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -7.973 -2.143 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.329 -2.777 3.597 1.00 0.00 H new ATOM 489 N PRO A1177 -14.321 -2.569 3.298 1.00 0.00 N ATOM 490 CA PRO A1177 -15.729 -2.260 3.565 1.00 0.00 C ATOM 491 C PRO A1177 -15.991 -0.759 3.565 1.00 0.00 C ATOM 492 O PRO A1177 -17.005 -0.293 3.045 1.00 0.00 O ATOM 493 CB PRO A1177 -15.972 -2.842 4.960 1.00 0.00 C ATOM 494 CG PRO A1177 -14.917 -3.879 5.131 1.00 0.00 C ATOM 495 CD PRO A1177 -13.722 -3.386 4.365 1.00 0.00 C ATOM 0 HA PRO A1177 -16.388 -2.673 2.802 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -15.897 -2.072 5.728 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.969 -3.276 5.039 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.674 -4.019 6.184 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -15.253 -4.844 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -13.054 -2.799 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.135 -4.210 3.960 1.00 0.00 H new ATOM 503 N LYS A1178 -15.064 -0.007 4.149 1.00 0.00 N ATOM 504 CA LYS A1178 -15.185 1.445 4.217 1.00 0.00 C ATOM 505 C LYS A1178 -15.181 2.058 2.820 1.00 0.00 C ATOM 506 O LYS A1178 -15.669 3.170 2.621 1.00 0.00 O ATOM 507 CB LYS A1178 -14.040 2.030 5.044 1.00 0.00 C ATOM 508 CG LYS A1178 -12.663 1.720 4.481 1.00 0.00 C ATOM 509 CD LYS A1178 -11.636 1.529 5.585 1.00 0.00 C ATOM 510 CE LYS A1178 -10.661 2.694 5.649 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.828 2.655 6.883 1.00 0.00 N ATOM 0 H LYS A1178 -14.219 -0.380 4.583 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.134 1.685 4.696 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.163 3.111 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.103 1.643 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.714 0.818 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.346 2.531 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -12.145 1.427 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -11.087 0.603 5.416 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -10.013 2.673 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -11.214 3.633 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.177 3.466 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -10.444 2.701 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -9.280 1.771 6.904 1.00 0.00 H new ATOM 525 N PHE A1179 -14.626 1.329 1.854 1.00 0.00 N ATOM 526 CA PHE A1179 -14.561 1.809 0.480 1.00 0.00 C ATOM 527 C PHE A1179 -15.527 1.039 -0.420 1.00 0.00 C ATOM 528 O PHE A1179 -15.363 1.012 -1.640 1.00 0.00 O ATOM 529 CB PHE A1179 -13.132 1.690 -0.053 1.00 0.00 C ATOM 530 CG PHE A1179 -12.181 2.625 0.626 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.411 3.987 0.584 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.074 2.153 1.322 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.566 4.863 1.219 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.222 3.027 1.965 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.468 4.387 1.916 1.00 0.00 C ATOM 0 H PHE A1179 -14.216 0.406 1.999 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.857 2.858 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.784 0.666 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.130 1.892 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.266 4.367 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.879 1.091 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.758 5.925 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.366 2.650 2.505 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.806 5.076 2.420 1.00 0.00 H new ATOM 545 N GLY A1180 -16.536 0.421 0.189 1.00 0.00 N ATOM 546 CA GLY A1180 -17.515 -0.334 -0.573 1.00 0.00 C ATOM 547 C GLY A1180 -17.099 -1.773 -0.823 1.00 0.00 C ATOM 548 O GLY A1180 -17.888 -2.574 -1.323 1.00 0.00 O ATOM 0 H GLY A1180 -16.693 0.430 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.466 -0.325 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.681 0.161 -1.530 1.00 0.00 H new ATOM 552 N GLY A1181 -15.857 -2.102 -0.482 1.00 0.00 N ATOM 553 CA GLY A1181 -15.365 -3.453 -0.687 1.00 0.00 C ATOM 554 C GLY A1181 -15.941 -4.451 0.299 1.00 0.00 C ATOM 555 O GLY A1181 -17.118 -4.375 0.651 1.00 0.00 O ATOM 0 H GLY A1181 -15.183 -1.458 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -15.607 -3.772 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.278 -3.454 -0.603 1.00 0.00 H new ATOM 559 N ARG A1182 -15.114 -5.398 0.739 1.00 0.00 N ATOM 560 CA ARG A1182 -15.562 -6.423 1.679 1.00 0.00 C ATOM 561 C ARG A1182 -14.428 -6.911 2.586 1.00 0.00 C ATOM 562 O ARG A1182 -14.549 -7.959 3.221 1.00 0.00 O ATOM 563 CB ARG A1182 -16.142 -7.609 0.908 1.00 0.00 C ATOM 564 CG ARG A1182 -17.314 -7.236 0.016 1.00 0.00 C ATOM 565 CD ARG A1182 -18.023 -8.471 -0.519 1.00 0.00 C ATOM 566 NE ARG A1182 -18.473 -8.289 -1.896 1.00 0.00 N ATOM 567 CZ ARG A1182 -19.313 -9.115 -2.517 1.00 0.00 C ATOM 568 NH1 ARG A1182 -19.794 -10.179 -1.887 1.00 0.00 N ATOM 569 NH2 ARG A1182 -19.672 -8.877 -3.771 1.00 0.00 N ATOM 0 H ARG A1182 -14.136 -5.477 0.461 1.00 0.00 H new ATOM 0 HA ARG A1182 -16.325 -5.974 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.357 -8.054 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.464 -8.371 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -18.020 -6.625 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -16.960 -6.629 -0.817 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -17.350 -9.327 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -18.879 -8.701 0.115 1.00 0.00 H new ATOM 0 HE ARG A1182 -18.124 -7.482 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -19.521 -10.367 -0.923 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -20.437 -10.809 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -19.305 -8.061 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -20.315 -9.510 -4.246 1.00 0.00 H new ATOM 583 N ASN A1183 -13.331 -6.162 2.648 1.00 0.00 N ATOM 584 CA ASN A1183 -12.192 -6.548 3.481 1.00 0.00 C ATOM 585 C ASN A1183 -11.738 -7.971 3.157 1.00 0.00 C ATOM 586 O ASN A1183 -11.149 -8.651 3.998 1.00 0.00 O ATOM 587 CB ASN A1183 -12.556 -6.457 4.965 1.00 0.00 C ATOM 588 CG ASN A1183 -11.376 -6.050 5.826 1.00 0.00 C ATOM 589 OD1 ASN A1183 -10.459 -6.839 6.055 1.00 0.00 O ATOM 590 ND2 ASN A1183 -11.395 -4.814 6.312 1.00 0.00 N ATOM 0 H ASN A1183 -13.205 -5.289 2.136 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.376 -5.858 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.363 -5.736 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -12.934 -7.422 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -10.629 -4.486 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -12.175 -4.193 6.097 1.00 0.00 H new ATOM 597 N ILE A1184 -12.028 -8.416 1.940 1.00 0.00 N ATOM 598 CA ILE A1184 -11.664 -9.759 1.509 1.00 0.00 C ATOM 599 C ILE A1184 -10.254 -9.793 0.936 1.00 0.00 C ATOM 600 O ILE A1184 -9.465 -10.683 1.252 1.00 0.00 O ATOM 601 CB ILE A1184 -12.666 -10.287 0.467 1.00 0.00 C ATOM 602 CG1 ILE A1184 -12.560 -9.498 -0.842 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.070 -10.183 1.027 1.00 0.00 C ATOM 604 CD1 ILE A1184 -13.571 -9.919 -1.887 1.00 0.00 C ATOM 0 H ILE A1184 -12.515 -7.865 1.234 1.00 0.00 H new ATOM 0 HA ILE A1184 -11.693 -10.404 2.387 1.00 0.00 H new ATOM 0 HB ILE A1184 -12.434 -11.330 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -12.691 -8.437 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -11.556 -9.620 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -14.783 -10.556 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.143 -10.777 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.295 -9.141 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -13.437 -9.318 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -13.427 -10.972 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -14.579 -9.771 -1.499 1.00 0.00 H new ATOM 616 N LYS A1185 -9.942 -8.813 0.099 1.00 0.00 N ATOM 617 CA LYS A1185 -8.624 -8.725 -0.509 1.00 0.00 C ATOM 618 C LYS A1185 -7.655 -8.026 0.431 1.00 0.00 C ATOM 619 O LYS A1185 -6.465 -8.337 0.448 1.00 0.00 O ATOM 620 CB LYS A1185 -8.698 -7.965 -1.834 1.00 0.00 C ATOM 621 CG LYS A1185 -8.962 -8.854 -3.036 1.00 0.00 C ATOM 622 CD LYS A1185 -8.280 -8.318 -4.284 1.00 0.00 C ATOM 623 CE LYS A1185 -9.160 -8.479 -5.512 1.00 0.00 C ATOM 624 NZ LYS A1185 -8.729 -7.588 -6.625 1.00 0.00 N ATOM 0 H LYS A1185 -10.584 -8.069 -0.174 1.00 0.00 H new ATOM 0 HA LYS A1185 -8.266 -9.736 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -9.486 -7.215 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -7.761 -7.430 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -8.605 -9.863 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -10.036 -8.925 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -8.038 -7.264 -4.144 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -7.338 -8.843 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -9.131 -9.516 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -10.194 -8.257 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -9.355 -7.728 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -8.780 -6.596 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -7.751 -7.817 -6.894 1.00 0.00 H new ATOM 638 N LYS A1186 -8.187 -7.083 1.214 1.00 0.00 N ATOM 639 CA LYS A1186 -7.392 -6.310 2.180 1.00 0.00 C ATOM 640 C LYS A1186 -5.894 -6.370 1.869 1.00 0.00 C ATOM 641 O LYS A1186 -5.094 -6.811 2.695 1.00 0.00 O ATOM 642 CB LYS A1186 -7.650 -6.817 3.601 1.00 0.00 C ATOM 643 CG LYS A1186 -7.739 -5.706 4.635 1.00 0.00 C ATOM 644 CD LYS A1186 -6.495 -5.654 5.507 1.00 0.00 C ATOM 645 CE LYS A1186 -6.459 -4.390 6.351 1.00 0.00 C ATOM 646 NZ LYS A1186 -5.405 -4.451 7.401 1.00 0.00 N ATOM 0 H LYS A1186 -9.176 -6.833 1.199 1.00 0.00 H new ATOM 0 HA LYS A1186 -7.705 -5.269 2.101 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -8.579 -7.387 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -6.851 -7.503 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -7.871 -4.749 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.617 -5.861 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -6.469 -6.528 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -5.606 -5.698 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -6.280 -3.529 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -7.431 -4.240 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -5.414 -3.570 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -5.589 -5.257 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.474 -4.568 6.952 1.00 0.00 H new ATOM 660 N GLN A1187 -5.523 -5.933 0.668 1.00 0.00 N ATOM 661 CA GLN A1187 -4.125 -5.949 0.248 1.00 0.00 C ATOM 662 C GLN A1187 -3.459 -4.602 0.504 1.00 0.00 C ATOM 663 O GLN A1187 -4.081 -3.677 1.025 1.00 0.00 O ATOM 664 CB GLN A1187 -4.023 -6.308 -1.236 1.00 0.00 C ATOM 665 CG GLN A1187 -4.183 -7.793 -1.525 1.00 0.00 C ATOM 666 CD GLN A1187 -3.286 -8.659 -0.660 1.00 0.00 C ATOM 667 OE1 GLN A1187 -2.100 -8.825 -0.948 1.00 0.00 O ATOM 668 NE2 GLN A1187 -3.848 -9.214 0.406 1.00 0.00 N ATOM 0 H GLN A1187 -6.169 -5.564 -0.030 1.00 0.00 H new ATOM 0 HA GLN A1187 -3.605 -6.705 0.837 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -4.786 -5.757 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.056 -5.977 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -5.222 -8.080 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -3.959 -7.981 -2.575 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -4.834 -9.049 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -3.294 -9.805 1.025 1.00 0.00 H new ATOM 677 N CYS A1188 -2.186 -4.502 0.132 1.00 0.00 N ATOM 678 CA CYS A1188 -1.430 -3.270 0.317 1.00 0.00 C ATOM 679 C CYS A1188 -1.914 -2.188 -0.641 1.00 0.00 C ATOM 680 O CYS A1188 -1.979 -2.398 -1.853 1.00 0.00 O ATOM 681 CB CYS A1188 0.063 -3.526 0.103 1.00 0.00 C ATOM 682 SG CYS A1188 0.973 -3.894 1.622 1.00 0.00 S ATOM 0 H CYS A1188 -1.657 -5.260 -0.299 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.589 -2.925 1.338 1.00 0.00 H new ATOM 0 HB2 CYS A1188 0.182 -4.359 -0.590 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.507 -2.650 -0.371 1.00 0.00 H new ATOM 0 HG CYS A1188 2.225 -4.098 1.339 1.00 0.00 H new ATOM 688 N CYS A1189 -2.254 -1.027 -0.091 1.00 0.00 N ATOM 689 CA CYS A1189 -2.736 0.093 -0.891 1.00 0.00 C ATOM 690 C CYS A1189 -1.733 0.452 -1.988 1.00 0.00 C ATOM 691 O CYS A1189 -0.565 0.733 -1.715 1.00 0.00 O ATOM 692 CB CYS A1189 -3.003 1.300 0.013 1.00 0.00 C ATOM 693 SG CYS A1189 -3.281 2.858 -0.863 1.00 0.00 S ATOM 0 H CYS A1189 -2.204 -0.837 0.910 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.668 -0.200 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -3.875 1.087 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.156 1.425 0.688 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.558 3.077 -0.964 1.00 0.00 H new ATOM 698 N LYS A1190 -2.206 0.435 -3.229 1.00 0.00 N ATOM 699 CA LYS A1190 -1.376 0.746 -4.388 1.00 0.00 C ATOM 700 C LYS A1190 -0.678 2.097 -4.234 1.00 0.00 C ATOM 701 O LYS A1190 0.440 2.285 -4.715 1.00 0.00 O ATOM 702 CB LYS A1190 -2.237 0.739 -5.652 1.00 0.00 C ATOM 703 CG LYS A1190 -3.058 -0.531 -5.814 1.00 0.00 C ATOM 704 CD LYS A1190 -3.182 -0.929 -7.275 1.00 0.00 C ATOM 705 CE LYS A1190 -4.462 -0.395 -7.895 1.00 0.00 C ATOM 706 NZ LYS A1190 -4.379 1.066 -8.177 1.00 0.00 N ATOM 0 H LYS A1190 -3.173 0.206 -3.460 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.602 -0.018 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -2.909 1.597 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.593 0.860 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.592 -1.341 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.051 -0.380 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -2.323 -0.551 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -3.162 -2.016 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.668 -0.932 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -5.298 -0.587 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -5.290 1.400 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -4.158 1.577 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -3.631 1.242 -8.878 1.00 0.00 H new ATOM 720 N MET A1191 -1.335 3.029 -3.554 1.00 0.00 N ATOM 721 CA MET A1191 -0.779 4.351 -3.327 1.00 0.00 C ATOM 722 C MET A1191 0.253 4.296 -2.209 1.00 0.00 C ATOM 723 O MET A1191 1.212 5.062 -2.190 1.00 0.00 O ATOM 724 CB MET A1191 -1.927 5.317 -2.990 1.00 0.00 C ATOM 725 CG MET A1191 -1.884 5.938 -1.604 1.00 0.00 C ATOM 726 SD MET A1191 -1.721 7.735 -1.652 1.00 0.00 S ATOM 727 CE MET A1191 -0.283 7.918 -2.704 1.00 0.00 C ATOM 0 H MET A1191 -2.260 2.889 -3.149 1.00 0.00 H new ATOM 0 HA MET A1191 -0.271 4.709 -4.223 1.00 0.00 H new ATOM 0 HB2 MET A1191 -1.929 6.120 -3.727 1.00 0.00 H new ATOM 0 HB3 MET A1191 -2.870 4.782 -3.099 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.793 5.674 -1.063 1.00 0.00 H new ATOM 0 HG3 MET A1191 -1.048 5.516 -1.047 1.00 0.00 H new ATOM 0 HE1 MET A1191 0.449 8.558 -2.211 1.00 0.00 H new ATOM 0 HE2 MET A1191 0.158 6.939 -2.891 1.00 0.00 H new ATOM 0 HE3 MET A1191 -0.580 8.369 -3.651 1.00 0.00 H new ATOM 737 N ARG A1192 0.024 3.379 -1.278 1.00 0.00 N ATOM 738 CA ARG A1192 0.901 3.188 -0.129 1.00 0.00 C ATOM 739 C ARG A1192 2.162 2.427 -0.507 1.00 0.00 C ATOM 740 O ARG A1192 3.220 2.611 0.095 1.00 0.00 O ATOM 741 CB ARG A1192 0.160 2.409 0.948 1.00 0.00 C ATOM 742 CG ARG A1192 -0.851 3.240 1.716 1.00 0.00 C ATOM 743 CD ARG A1192 -1.610 2.401 2.732 1.00 0.00 C ATOM 744 NE ARG A1192 -1.404 2.880 4.094 1.00 0.00 N ATOM 745 CZ ARG A1192 -1.907 2.283 5.172 1.00 0.00 C ATOM 746 NH1 ARG A1192 -2.657 1.195 5.049 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.662 2.777 6.378 1.00 0.00 N ATOM 0 H ARG A1192 -0.776 2.746 -1.298 1.00 0.00 H new ATOM 0 HA ARG A1192 1.190 4.173 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.353 1.565 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.885 1.996 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.339 4.056 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.556 3.693 1.018 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.674 2.421 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.287 1.363 2.659 1.00 0.00 H new ATOM 0 HE ARG A1192 -0.842 3.721 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -2.851 0.811 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.039 0.743 5.879 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.088 3.614 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.047 2.320 7.204 1.00 0.00 H new ATOM 761 N LYS A1193 2.033 1.556 -1.494 1.00 0.00 N ATOM 762 CA LYS A1193 3.150 0.734 -1.948 1.00 0.00 C ATOM 763 C LYS A1193 4.362 1.595 -2.291 1.00 0.00 C ATOM 764 O LYS A1193 4.269 2.553 -3.059 1.00 0.00 O ATOM 765 CB LYS A1193 2.737 -0.097 -3.165 1.00 0.00 C ATOM 766 CG LYS A1193 2.262 -1.497 -2.811 1.00 0.00 C ATOM 767 CD LYS A1193 2.235 -2.401 -4.033 1.00 0.00 C ATOM 768 CE LYS A1193 3.489 -3.255 -4.122 1.00 0.00 C ATOM 769 NZ LYS A1193 4.516 -2.642 -5.011 1.00 0.00 N ATOM 0 H LYS A1193 1.162 1.397 -2.001 1.00 0.00 H new ATOM 0 HA LYS A1193 3.426 0.063 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A1193 1.941 0.424 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.583 -0.171 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.920 -1.925 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A1193 1.265 -1.445 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A1193 1.357 -3.045 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A1193 2.142 -1.794 -4.934 1.00 0.00 H new ATOM 0 HE2 LYS A1193 3.907 -3.392 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A1193 3.228 -4.245 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 5.313 -3.300 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 4.095 -2.441 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 4.858 -1.756 -4.587 1.00 0.00 H new ATOM 783 N CYS A1194 5.497 1.244 -1.696 1.00 0.00 N ATOM 784 CA CYS A1194 6.742 1.970 -1.900 1.00 0.00 C ATOM 785 C CYS A1194 7.257 1.827 -3.330 1.00 0.00 C ATOM 786 O CYS A1194 7.065 0.798 -3.978 1.00 0.00 O ATOM 787 CB CYS A1194 7.798 1.480 -0.911 1.00 0.00 C ATOM 788 SG CYS A1194 9.428 2.227 -1.138 1.00 0.00 S ATOM 0 H CYS A1194 5.578 0.450 -1.061 1.00 0.00 H new ATOM 0 HA CYS A1194 6.541 3.027 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.454 1.686 0.103 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.891 0.398 -1.002 1.00 0.00 H new ATOM 0 HG CYS A1194 9.798 2.805 -0.034 1.00 0.00 H new ATOM 793 N GLN A1195 7.909 2.881 -3.807 1.00 0.00 N ATOM 794 CA GLN A1195 8.464 2.918 -5.150 1.00 0.00 C ATOM 795 C GLN A1195 9.940 2.524 -5.153 1.00 0.00 C ATOM 796 O GLN A1195 10.419 1.888 -6.092 1.00 0.00 O ATOM 797 CB GLN A1195 8.305 4.325 -5.726 1.00 0.00 C ATOM 798 CG GLN A1195 7.004 4.526 -6.482 1.00 0.00 C ATOM 799 CD GLN A1195 6.787 5.967 -6.899 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.730 6.668 -7.266 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.539 6.418 -6.844 1.00 0.00 N ATOM 0 H GLN A1195 8.067 3.734 -3.271 1.00 0.00 H new ATOM 0 HA GLN A1195 7.922 2.199 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.360 5.050 -4.914 1.00 0.00 H new ATOM 0 HB3 GLN A1195 9.140 4.532 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A1195 7.002 3.891 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A1195 6.171 4.204 -5.857 1.00 0.00 H new ATOM 0 HE21 GLN A1195 4.787 5.802 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.332 7.380 -7.112 1.00 0.00 H new ATOM 810 N ASN A1196 10.655 2.905 -4.099 1.00 0.00 N ATOM 811 CA ASN A1196 12.070 2.592 -3.982 1.00 0.00 C ATOM 812 C ASN A1196 12.381 1.992 -2.626 1.00 0.00 C ATOM 813 O ASN A1196 12.200 2.632 -1.593 1.00 0.00 O ATOM 814 CB ASN A1196 12.930 3.839 -4.202 1.00 0.00 C ATOM 815 CG ASN A1196 12.417 5.053 -3.456 1.00 0.00 C ATOM 816 OD1 ASN A1196 11.244 5.412 -3.558 1.00 0.00 O ATOM 817 ND2 ASN A1196 13.303 5.691 -2.700 1.00 0.00 N ATOM 0 H ASN A1196 10.274 3.432 -3.313 1.00 0.00 H new ATOM 0 HA ASN A1196 12.308 1.861 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN A1196 13.951 3.629 -3.884 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.968 4.064 -5.268 1.00 0.00 H new ATOM 0 HD21 ASN A1196 13.022 6.517 -2.172 1.00 0.00 H new ATOM 0 HD22 ASN A1196 14.265 5.355 -2.648 1.00 0.00 H new ATOM 824 N LEU A1197 12.857 0.762 -2.638 1.00 0.00 N ATOM 825 CA LEU A1197 13.202 0.076 -1.409 1.00 0.00 C ATOM 826 C LEU A1197 14.622 -0.464 -1.486 1.00 0.00 C ATOM 827 O LEU A1197 15.062 -0.927 -2.539 1.00 0.00 O ATOM 828 CB LEU A1197 12.237 -1.080 -1.154 1.00 0.00 C ATOM 829 CG LEU A1197 10.808 -0.894 -1.671 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.517 -1.888 -2.778 1.00 0.00 C ATOM 831 CD2 LEU A1197 9.807 -1.075 -0.547 1.00 0.00 C ATOM 0 H LEU A1197 13.014 0.217 -3.486 1.00 0.00 H new ATOM 0 HA LEU A1197 13.131 0.791 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.652 -1.979 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.192 -1.258 -0.080 1.00 0.00 H new ATOM 0 HG LEU A1197 10.716 0.118 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.498 -1.745 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.216 -1.732 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A1197 10.628 -2.902 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A1197 8.797 -0.939 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A1197 9.904 -2.078 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A1197 9.999 -0.338 0.233 1.00 0.00 H new