USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=13 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= -0.0469 USER MOD Set 1.2: A1158 CYS SG : rot -58:sc= 1.78 USER MOD Set 1.3: A1161 CYS SG : rot -125:sc= -1.07 USER MOD Set 1.4: A1194 CYS SG : rot 38:sc= -1.83 USER MOD Set 2.1: A1167 CYS SG : rot -27:sc= 0.0238 USER MOD Set 2.2: A1170 CYS SG : rot -88:sc= 0.844 USER MOD Set 2.3: A1173 CYS SG : rot -40:sc= -0.838! USER MOD Set 2.4: A1189 CYS SG : rot 94:sc= -0.238 USER MOD Single : A1157 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A1162 GLN : amide:sc= -2.92! C(o=-2.9!,f=-2.4!) USER MOD Single : A1171 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A1172 ASN : amide:sc= -5.23! C(o=-5.2!,f=-5.7!) USER MOD Single : A1176 LYS NZ :NH3+ 169:sc= -0.22 (180deg=-0.316) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -1.71 X(o=-1.7,f=-2!) 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= 0.553 K(o=0.55,f=-0.54) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1190 LYS NZ :NH3+ -170:sc= -1.38 (180deg=-1.44) USER MOD Single : A1191 MET CE :methyl -147:sc= -0.367 (180deg=-1.63!) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.0044) USER MOD Single : A1196 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.810 -0.503 2.956 1.00 0.00 N ATOM 179 CA ARG A1154 11.242 0.681 2.330 1.00 0.00 C ATOM 180 C ARG A1154 12.010 1.937 2.727 1.00 0.00 C ATOM 181 O ARG A1154 12.407 2.104 3.881 1.00 0.00 O ATOM 182 CB ARG A1154 9.766 0.822 2.709 1.00 0.00 C ATOM 183 CG ARG A1154 8.986 -0.483 2.616 1.00 0.00 C ATOM 184 CD ARG A1154 8.257 -0.796 3.914 1.00 0.00 C ATOM 185 NE ARG A1154 6.851 -0.403 3.860 1.00 0.00 N ATOM 186 CZ ARG A1154 5.916 -0.878 4.680 1.00 0.00 C ATOM 187 NH1 ARG A1154 6.233 -1.761 5.618 1.00 0.00 N ATOM 188 NH2 ARG A1154 4.661 -0.467 4.561 1.00 0.00 N ATOM 0 HA ARG A1154 11.323 0.564 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.696 1.206 3.727 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.301 1.561 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.266 -0.419 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.668 -1.299 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A1154 8.327 -1.864 4.121 1.00 0.00 H new ATOM 0 HD3 ARG A1154 8.747 -0.278 4.739 1.00 0.00 H new ATOM 0 HE ARG A1154 6.569 0.275 3.152 1.00 0.00 H new ATOM 0 HH11 ARG A1154 7.197 -2.079 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A1154 5.512 -2.121 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A1154 4.413 0.212 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A1154 3.944 -0.830 5.189 1.00 0.00 H new ATOM 202 N CYS A1155 12.220 2.808 1.751 1.00 0.00 N ATOM 203 CA CYS A1155 12.948 4.053 1.958 1.00 0.00 C ATOM 204 C CYS A1155 12.339 4.890 3.080 1.00 0.00 C ATOM 205 O CYS A1155 13.019 5.243 4.044 1.00 0.00 O ATOM 206 CB CYS A1155 12.975 4.858 0.659 1.00 0.00 C ATOM 207 SG CYS A1155 11.355 5.074 -0.118 1.00 0.00 S ATOM 0 H CYS A1155 11.892 2.673 0.795 1.00 0.00 H new ATOM 0 HA CYS A1155 13.965 3.798 2.255 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.401 5.840 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.641 4.363 -0.048 1.00 0.00 H new ATOM 0 HG CYS A1155 10.938 3.931 -0.576 1.00 0.00 H new ATOM 213 N GLY A1156 11.060 5.210 2.946 1.00 0.00 N ATOM 214 CA GLY A1156 10.383 6.008 3.950 1.00 0.00 C ATOM 215 C GLY A1156 10.228 7.462 3.535 1.00 0.00 C ATOM 216 O GLY A1156 10.060 8.336 4.384 1.00 0.00 O ATOM 0 H GLY A1156 10.477 4.931 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.398 5.582 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.941 5.958 4.885 1.00 0.00 H new ATOM 220 N GLN A1157 10.291 7.728 2.229 1.00 0.00 N ATOM 221 CA GLN A1157 10.163 9.092 1.726 1.00 0.00 C ATOM 222 C GLN A1157 9.658 9.115 0.284 1.00 0.00 C ATOM 223 O GLN A1157 9.898 10.073 -0.450 1.00 0.00 O ATOM 224 CB GLN A1157 11.508 9.816 1.818 1.00 0.00 C ATOM 225 CG GLN A1157 11.711 10.553 3.132 1.00 0.00 C ATOM 226 CD GLN A1157 13.039 11.284 3.190 1.00 0.00 C ATOM 227 OE1 GLN A1157 14.029 10.844 2.604 1.00 0.00 O ATOM 228 NE2 GLN A1157 13.068 12.405 3.900 1.00 0.00 N ATOM 0 H GLN A1157 10.429 7.021 1.507 1.00 0.00 H new ATOM 0 HA GLN A1157 9.430 9.607 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.312 9.091 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.586 10.527 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A1157 10.900 11.268 3.273 1.00 0.00 H new ATOM 0 HG3 GLN A1157 11.655 9.842 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A1157 12.224 12.733 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A1157 13.934 12.938 3.976 1.00 0.00 H new ATOM 237 N CYS A1158 8.947 8.064 -0.115 1.00 0.00 N ATOM 238 CA CYS A1158 8.399 7.978 -1.467 1.00 0.00 C ATOM 239 C CYS A1158 6.876 8.083 -1.424 1.00 0.00 C ATOM 240 O CYS A1158 6.281 8.159 -0.348 1.00 0.00 O ATOM 241 CB CYS A1158 8.830 6.670 -2.141 1.00 0.00 C ATOM 242 SG CYS A1158 8.081 5.195 -1.422 1.00 0.00 S ATOM 0 H CYS A1158 8.737 7.261 0.477 1.00 0.00 H new ATOM 0 HA CYS A1158 8.790 8.808 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.573 6.717 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.915 6.581 -2.080 1.00 0.00 H new ATOM 0 HG CYS A1158 8.370 5.134 -0.156 1.00 0.00 H new ATOM 248 N PRO A1159 6.224 8.096 -2.594 1.00 0.00 N ATOM 249 CA PRO A1159 4.765 8.202 -2.686 1.00 0.00 C ATOM 250 C PRO A1159 4.050 7.116 -1.889 1.00 0.00 C ATOM 251 O PRO A1159 2.956 7.333 -1.373 1.00 0.00 O ATOM 252 CB PRO A1159 4.498 8.055 -4.188 1.00 0.00 C ATOM 253 CG PRO A1159 5.766 8.505 -4.827 1.00 0.00 C ATOM 254 CD PRO A1159 6.852 8.015 -3.923 1.00 0.00 C ATOM 0 HA PRO A1159 4.391 9.136 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.262 7.024 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.653 8.666 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.871 8.091 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.795 9.590 -4.926 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.154 6.997 -4.167 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.745 8.637 -3.988 1.00 0.00 H new ATOM 262 N GLY A1160 4.677 5.949 -1.788 1.00 0.00 N ATOM 263 CA GLY A1160 4.088 4.850 -1.044 1.00 0.00 C ATOM 264 C GLY A1160 4.241 5.001 0.459 1.00 0.00 C ATOM 265 O GLY A1160 3.266 4.913 1.208 1.00 0.00 O ATOM 0 H GLY A1160 5.583 5.744 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A1160 3.029 4.778 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.552 3.915 -1.359 1.00 0.00 H new ATOM 269 N CYS A1161 5.477 5.211 0.894 1.00 0.00 N ATOM 270 CA CYS A1161 5.799 5.355 2.306 1.00 0.00 C ATOM 271 C CYS A1161 5.100 6.553 2.943 1.00 0.00 C ATOM 272 O CYS A1161 4.884 6.579 4.155 1.00 0.00 O ATOM 273 CB CYS A1161 7.313 5.496 2.462 1.00 0.00 C ATOM 274 SG CYS A1161 8.230 3.963 2.186 1.00 0.00 S ATOM 0 H CYS A1161 6.285 5.286 0.276 1.00 0.00 H new ATOM 0 HA CYS A1161 5.442 4.464 2.822 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.671 6.252 1.762 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.531 5.862 3.465 1.00 0.00 H new ATOM 0 HG CYS A1161 8.975 3.711 3.221 1.00 0.00 H new ATOM 279 N GLN A1162 4.767 7.552 2.134 1.00 0.00 N ATOM 280 CA GLN A1162 4.117 8.758 2.645 1.00 0.00 C ATOM 281 C GLN A1162 2.606 8.589 2.801 1.00 0.00 C ATOM 282 O GLN A1162 1.915 9.535 3.175 1.00 0.00 O ATOM 283 CB GLN A1162 4.413 9.947 1.735 1.00 0.00 C ATOM 284 CG GLN A1162 3.740 9.860 0.375 1.00 0.00 C ATOM 285 CD GLN A1162 4.335 10.833 -0.622 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.620 11.615 -1.248 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.656 10.789 -0.774 1.00 0.00 N ATOM 0 H GLN A1162 4.934 7.554 1.128 1.00 0.00 H new ATOM 0 HA GLN A1162 4.529 8.942 3.637 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.091 10.862 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.491 10.024 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.834 8.845 -0.011 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.675 10.062 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.210 10.124 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.115 11.420 -1.431 1.00 0.00 H new ATOM 296 N VAL A1163 2.088 7.398 2.514 1.00 0.00 N ATOM 297 CA VAL A1163 0.652 7.159 2.636 1.00 0.00 C ATOM 298 C VAL A1163 0.322 6.318 3.867 1.00 0.00 C ATOM 299 O VAL A1163 0.366 5.089 3.819 1.00 0.00 O ATOM 300 CB VAL A1163 0.073 6.459 1.393 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.442 6.428 1.468 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.523 7.155 0.123 1.00 0.00 C ATOM 0 H VAL A1163 2.631 6.594 2.200 1.00 0.00 H new ATOM 0 HA VAL A1163 0.195 8.144 2.735 1.00 0.00 H new ATOM 0 HB VAL A1163 0.446 5.435 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.840 5.931 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.751 5.884 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.825 7.447 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.101 6.643 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.180 8.190 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.611 7.134 0.062 1.00 0.00 H new ATOM 312 N PRO A1164 -0.028 6.972 4.988 1.00 0.00 N ATOM 313 CA PRO A1164 -0.383 6.282 6.226 1.00 0.00 C ATOM 314 C PRO A1164 -1.847 5.849 6.243 1.00 0.00 C ATOM 315 O PRO A1164 -2.314 5.243 7.207 1.00 0.00 O ATOM 316 CB PRO A1164 -0.134 7.354 7.281 1.00 0.00 C ATOM 317 CG PRO A1164 -0.471 8.632 6.592 1.00 0.00 C ATOM 318 CD PRO A1164 -0.121 8.437 5.136 1.00 0.00 C ATOM 0 HA PRO A1164 0.186 5.364 6.374 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.759 7.199 8.161 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.902 7.346 7.620 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.529 8.869 6.709 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.091 9.463 7.019 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.885 8.857 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.820 8.925 4.882 1.00 0.00 H new ATOM 326 N GLU A1165 -2.570 6.173 5.173 1.00 0.00 N ATOM 327 CA GLU A1165 -3.982 5.826 5.065 1.00 0.00 C ATOM 328 C GLU A1165 -4.279 5.130 3.741 1.00 0.00 C ATOM 329 O GLU A1165 -3.382 4.909 2.927 1.00 0.00 O ATOM 330 CB GLU A1165 -4.837 7.088 5.183 1.00 0.00 C ATOM 331 CG GLU A1165 -4.496 8.148 4.145 1.00 0.00 C ATOM 332 CD GLU A1165 -4.491 9.549 4.724 1.00 0.00 C ATOM 333 OE1 GLU A1165 -5.587 10.106 4.941 1.00 0.00 O ATOM 334 OE2 GLU A1165 -3.390 10.089 4.963 1.00 0.00 O ATOM 0 H GLU A1165 -2.198 6.677 4.368 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.225 5.139 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.888 6.817 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.711 7.512 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.517 7.932 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -5.217 8.098 3.329 1.00 0.00 H new ATOM 341 N ASP A1166 -5.548 4.793 3.534 1.00 0.00 N ATOM 342 CA ASP A1166 -5.982 4.130 2.314 1.00 0.00 C ATOM 343 C ASP A1166 -6.460 5.161 1.296 1.00 0.00 C ATOM 344 O ASP A1166 -7.417 5.890 1.559 1.00 0.00 O ATOM 345 CB ASP A1166 -7.107 3.154 2.647 1.00 0.00 C ATOM 346 CG ASP A1166 -6.646 2.040 3.565 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.648 1.368 3.229 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.281 1.842 4.623 1.00 0.00 O ATOM 0 H ASP A1166 -6.297 4.971 4.203 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.145 3.583 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.927 3.695 3.119 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.498 2.724 1.725 1.00 0.00 H new ATOM 353 N CYS A1167 -5.799 5.234 0.134 1.00 0.00 N ATOM 354 CA CYS A1167 -6.192 6.195 -0.890 1.00 0.00 C ATOM 355 C CYS A1167 -7.699 6.144 -1.106 1.00 0.00 C ATOM 356 O CYS A1167 -8.351 7.177 -1.259 1.00 0.00 O ATOM 357 CB CYS A1167 -5.440 5.937 -2.194 1.00 0.00 C ATOM 358 SG CYS A1167 -5.867 4.389 -3.016 1.00 0.00 S ATOM 0 H CYS A1167 -5.003 4.647 -0.113 1.00 0.00 H new ATOM 0 HA CYS A1167 -5.928 7.196 -0.549 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.634 6.762 -2.879 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.370 5.940 -1.987 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.271 3.525 -2.132 1.00 0.00 H new ATOM 364 N GLY A1168 -8.255 4.935 -1.061 1.00 0.00 N ATOM 365 CA GLY A1168 -9.688 4.784 -1.194 1.00 0.00 C ATOM 366 C GLY A1168 -10.191 4.729 -2.612 1.00 0.00 C ATOM 367 O GLY A1168 -11.364 5.008 -2.861 1.00 0.00 O ATOM 0 H GLY A1168 -7.739 4.064 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -9.992 3.872 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.175 5.615 -0.683 1.00 0.00 H new ATOM 371 N VAL A1169 -9.322 4.413 -3.549 1.00 0.00 N ATOM 372 CA VAL A1169 -9.731 4.379 -4.939 1.00 0.00 C ATOM 373 C VAL A1169 -9.052 3.269 -5.743 1.00 0.00 C ATOM 374 O VAL A1169 -9.416 3.026 -6.893 1.00 0.00 O ATOM 375 CB VAL A1169 -9.464 5.747 -5.559 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.229 6.802 -4.767 1.00 0.00 C ATOM 377 CG2 VAL A1169 -7.974 6.039 -5.543 1.00 0.00 C ATOM 0 H VAL A1169 -8.344 4.179 -3.379 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.796 4.149 -4.971 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.801 5.761 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.047 7.785 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.296 6.582 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -9.892 6.794 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.790 7.017 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.613 6.034 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.447 5.276 -6.116 1.00 0.00 H new ATOM 387 N CYS A1170 -8.099 2.568 -5.132 1.00 0.00 N ATOM 388 CA CYS A1170 -7.435 1.463 -5.809 1.00 0.00 C ATOM 389 C CYS A1170 -8.166 0.170 -5.462 1.00 0.00 C ATOM 390 O CYS A1170 -8.866 0.111 -4.462 1.00 0.00 O ATOM 391 CB CYS A1170 -5.954 1.388 -5.422 1.00 0.00 C ATOM 392 SG CYS A1170 -5.643 0.937 -3.701 1.00 0.00 S ATOM 0 H CYS A1170 -7.774 2.744 -4.181 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.470 1.620 -6.887 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.460 0.662 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.492 2.356 -5.619 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.630 2.010 -2.967 1.00 0.00 H new ATOM 398 N THR A1171 -8.035 -0.850 -6.294 1.00 0.00 N ATOM 399 CA THR A1171 -8.739 -2.120 -6.056 1.00 0.00 C ATOM 400 C THR A1171 -8.608 -2.583 -4.601 1.00 0.00 C ATOM 401 O THR A1171 -9.583 -3.013 -3.981 1.00 0.00 O ATOM 402 CB THR A1171 -8.229 -3.230 -6.998 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.515 -4.220 -6.279 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.322 -2.735 -8.104 1.00 0.00 C ATOM 0 H THR A1171 -7.457 -0.835 -7.134 1.00 0.00 H new ATOM 0 HA THR A1171 -9.792 -1.933 -6.264 1.00 0.00 H new ATOM 0 HB THR A1171 -9.133 -3.637 -7.451 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.204 -4.913 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A1171 -7.008 -3.577 -8.721 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.860 -2.014 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.445 -2.257 -7.668 1.00 0.00 H new ATOM 412 N ASN A1172 -7.397 -2.504 -4.073 1.00 0.00 N ATOM 413 CA ASN A1172 -7.119 -2.929 -2.705 1.00 0.00 C ATOM 414 C ASN A1172 -7.911 -2.128 -1.675 1.00 0.00 C ATOM 415 O ASN A1172 -8.470 -2.688 -0.733 1.00 0.00 O ATOM 416 CB ASN A1172 -5.629 -2.787 -2.427 1.00 0.00 C ATOM 417 CG ASN A1172 -4.786 -3.616 -3.375 1.00 0.00 C ATOM 418 OD1 ASN A1172 -5.111 -4.765 -3.673 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.698 -3.032 -3.860 1.00 0.00 N ATOM 0 H ASN A1172 -6.583 -2.147 -4.574 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.427 -3.970 -2.613 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.344 -1.738 -2.513 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.423 -3.090 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -3.093 -3.538 -4.507 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.466 -2.077 -3.586 1.00 0.00 H new ATOM 426 N CYS A1173 -7.943 -0.818 -1.856 1.00 0.00 N ATOM 427 CA CYS A1173 -8.654 0.069 -0.941 1.00 0.00 C ATOM 428 C CYS A1173 -10.149 -0.054 -1.140 1.00 0.00 C ATOM 429 O CYS A1173 -10.905 -0.202 -0.190 1.00 0.00 O ATOM 430 CB CYS A1173 -8.211 1.511 -1.159 1.00 0.00 C ATOM 431 SG CYS A1173 -6.595 1.881 -0.445 1.00 0.00 S ATOM 0 H CYS A1173 -7.483 -0.340 -2.631 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.416 -0.223 0.082 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.183 1.717 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -8.953 2.181 -0.725 1.00 0.00 H new ATOM 0 HG CYS A1173 -6.487 1.296 0.711 1.00 0.00 H new ATOM 436 N LEU A1174 -10.563 -0.012 -2.389 1.00 0.00 N ATOM 437 CA LEU A1174 -11.961 -0.141 -2.730 1.00 0.00 C ATOM 438 C LEU A1174 -12.481 -1.490 -2.263 1.00 0.00 C ATOM 439 O LEU A1174 -13.677 -1.668 -2.033 1.00 0.00 O ATOM 440 CB LEU A1174 -12.127 0.049 -4.228 1.00 0.00 C ATOM 441 CG LEU A1174 -11.530 1.355 -4.734 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.519 1.390 -6.252 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.298 2.530 -4.147 1.00 0.00 C ATOM 0 H LEU A1174 -9.944 0.112 -3.190 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.549 0.626 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.656 -0.785 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.188 0.021 -4.476 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.493 1.428 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.088 2.332 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.922 0.561 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.539 1.302 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.869 3.464 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.343 2.469 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.233 2.500 -3.059 1.00 0.00 H new ATOM 455 N ASP A1175 -11.554 -2.424 -2.083 1.00 0.00 N ATOM 456 CA ASP A1175 -11.885 -3.748 -1.596 1.00 0.00 C ATOM 457 C ASP A1175 -12.293 -3.681 -0.118 1.00 0.00 C ATOM 458 O ASP A1175 -12.804 -4.654 0.438 1.00 0.00 O ATOM 459 CB ASP A1175 -10.682 -4.673 -1.781 1.00 0.00 C ATOM 460 CG ASP A1175 -10.768 -5.478 -3.062 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.827 -6.093 -3.307 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.776 -5.495 -3.821 1.00 0.00 O ATOM 0 H ASP A1175 -10.561 -2.282 -2.270 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.727 -4.144 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.768 -4.080 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.615 -5.352 -0.931 1.00 0.00 H new ATOM 467 N LYS A1176 -12.076 -2.516 0.511 1.00 0.00 N ATOM 468 CA LYS A1176 -12.428 -2.313 1.913 1.00 0.00 C ATOM 469 C LYS A1176 -13.885 -1.877 2.044 1.00 0.00 C ATOM 470 O LYS A1176 -14.434 -1.257 1.135 1.00 0.00 O ATOM 471 CB LYS A1176 -11.523 -1.246 2.528 1.00 0.00 C ATOM 472 CG LYS A1176 -10.171 -1.770 2.978 1.00 0.00 C ATOM 473 CD LYS A1176 -9.033 -1.010 2.316 1.00 0.00 C ATOM 474 CE LYS A1176 -7.909 -0.725 3.296 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.385 -1.969 3.926 1.00 0.00 N ATOM 0 H LYS A1176 -11.657 -1.701 0.064 1.00 0.00 H new ATOM 0 HA LYS A1176 -12.293 -3.257 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.369 -0.450 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -12.032 -0.801 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -10.087 -1.682 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -10.091 -2.830 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -8.647 -1.589 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.409 -0.071 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.098 -0.213 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -8.268 -0.050 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.507 -1.755 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -8.091 -2.346 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.191 -2.676 3.189 1.00 0.00 H new ATOM 489 N PRO A1177 -14.532 -2.181 3.182 1.00 0.00 N ATOM 490 CA PRO A1177 -15.929 -1.804 3.419 1.00 0.00 C ATOM 491 C PRO A1177 -16.135 -0.298 3.334 1.00 0.00 C ATOM 492 O PRO A1177 -17.084 0.177 2.710 1.00 0.00 O ATOM 493 CB PRO A1177 -16.207 -2.299 4.843 1.00 0.00 C ATOM 494 CG PRO A1177 -15.165 -3.330 5.105 1.00 0.00 C ATOM 495 CD PRO A1177 -13.953 -2.902 4.328 1.00 0.00 C ATOM 0 HA PRO A1177 -16.597 -2.234 2.672 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.144 -1.483 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -17.209 -2.721 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.942 -3.397 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -15.504 -4.316 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -13.300 -2.261 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.356 -3.756 4.008 1.00 0.00 H new ATOM 503 N LYS A1178 -15.235 0.449 3.965 1.00 0.00 N ATOM 504 CA LYS A1178 -15.311 1.905 3.963 1.00 0.00 C ATOM 505 C LYS A1178 -15.251 2.455 2.540 1.00 0.00 C ATOM 506 O LYS A1178 -15.660 3.589 2.288 1.00 0.00 O ATOM 507 CB LYS A1178 -14.170 2.493 4.794 1.00 0.00 C ATOM 508 CG LYS A1178 -12.790 2.059 4.327 1.00 0.00 C ATOM 509 CD LYS A1178 -11.738 2.291 5.400 1.00 0.00 C ATOM 510 CE LYS A1178 -10.778 3.403 5.011 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.920 3.823 6.154 1.00 0.00 N ATOM 0 H LYS A1178 -14.444 0.069 4.485 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.265 2.194 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.230 3.581 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.301 2.199 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.811 1.002 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.520 2.610 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -12.227 2.544 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -11.180 1.370 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -10.147 3.066 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -11.344 4.261 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.280 4.583 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -10.520 4.168 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -9.360 3.011 6.484 1.00 0.00 H new ATOM 525 N PHE A1179 -14.735 1.651 1.614 1.00 0.00 N ATOM 526 CA PHE A1179 -14.621 2.068 0.222 1.00 0.00 C ATOM 527 C PHE A1179 -15.608 1.314 -0.671 1.00 0.00 C ATOM 528 O PHE A1179 -15.468 1.306 -1.894 1.00 0.00 O ATOM 529 CB PHE A1179 -13.190 1.856 -0.276 1.00 0.00 C ATOM 530 CG PHE A1179 -12.205 2.774 0.380 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.374 4.142 0.289 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.123 2.278 1.099 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.493 5.001 0.899 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.236 3.136 1.716 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.420 4.503 1.619 1.00 0.00 C ATOM 0 H PHE A1179 -14.390 0.710 1.803 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.866 3.129 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.895 0.823 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.159 2.009 -1.355 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.209 4.541 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.976 1.211 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.637 6.068 0.817 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.400 2.741 2.274 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.730 5.179 2.102 1.00 0.00 H new ATOM 545 N GLY A1180 -16.611 0.690 -0.054 1.00 0.00 N ATOM 546 CA GLY A1180 -17.608 -0.047 -0.815 1.00 0.00 C ATOM 547 C GLY A1180 -17.334 -1.540 -0.869 1.00 0.00 C ATOM 548 O GLY A1180 -18.223 -2.326 -1.196 1.00 0.00 O ATOM 0 H GLY A1180 -16.751 0.682 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.590 0.120 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.645 0.346 -1.831 1.00 0.00 H new ATOM 552 N GLY A1181 -16.105 -1.933 -0.552 1.00 0.00 N ATOM 553 CA GLY A1181 -15.743 -3.340 -0.578 1.00 0.00 C ATOM 554 C GLY A1181 -16.342 -4.123 0.576 1.00 0.00 C ATOM 555 O GLY A1181 -17.459 -3.844 1.010 1.00 0.00 O ATOM 0 H GLY A1181 -15.352 -1.302 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -16.074 -3.778 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.657 -3.432 -0.549 1.00 0.00 H new ATOM 559 N ARG A1182 -15.600 -5.116 1.065 1.00 0.00 N ATOM 560 CA ARG A1182 -16.073 -5.950 2.167 1.00 0.00 C ATOM 561 C ARG A1182 -14.921 -6.435 3.049 1.00 0.00 C ATOM 562 O ARG A1182 -15.077 -7.389 3.811 1.00 0.00 O ATOM 563 CB ARG A1182 -16.834 -7.154 1.612 1.00 0.00 C ATOM 564 CG ARG A1182 -18.011 -6.773 0.729 1.00 0.00 C ATOM 565 CD ARG A1182 -19.027 -7.899 0.637 1.00 0.00 C ATOM 566 NE ARG A1182 -19.743 -7.886 -0.636 1.00 0.00 N ATOM 567 CZ ARG A1182 -20.905 -8.505 -0.840 1.00 0.00 C ATOM 568 NH1 ARG A1182 -21.483 -9.187 0.141 1.00 0.00 N ATOM 569 NH2 ARG A1182 -21.489 -8.441 -2.028 1.00 0.00 N ATOM 0 H ARG A1182 -14.673 -5.361 0.717 1.00 0.00 H new ATOM 0 HA ARG A1182 -16.734 -5.341 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -16.146 -7.776 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -17.195 -7.760 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -18.492 -5.880 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.652 -6.523 -0.269 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.520 -8.856 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -19.741 -7.811 1.456 1.00 0.00 H new ATOM 0 HE ARG A1182 -19.329 -7.373 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -21.038 -9.239 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -22.373 -9.659 -0.021 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -21.049 -7.918 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -22.379 -8.915 -2.185 1.00 0.00 H new ATOM 583 N ASN A1183 -13.765 -5.783 2.944 1.00 0.00 N ATOM 584 CA ASN A1183 -12.598 -6.168 3.737 1.00 0.00 C ATOM 585 C ASN A1183 -12.237 -7.633 3.503 1.00 0.00 C ATOM 586 O ASN A1183 -11.583 -8.260 4.336 1.00 0.00 O ATOM 587 CB ASN A1183 -12.862 -5.937 5.226 1.00 0.00 C ATOM 588 CG ASN A1183 -11.608 -5.535 5.979 1.00 0.00 C ATOM 589 OD1 ASN A1183 -10.808 -6.384 6.373 1.00 0.00 O ATOM 590 ND2 ASN A1183 -11.431 -4.235 6.183 1.00 0.00 N ATOM 0 H ASN A1183 -13.611 -4.990 2.321 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.761 -5.546 3.420 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.617 -5.160 5.342 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -13.271 -6.847 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -10.606 -3.905 6.684 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -12.120 -3.566 5.839 1.00 0.00 H new ATOM 597 N ILE A1184 -12.670 -8.172 2.369 1.00 0.00 N ATOM 598 CA ILE A1184 -12.397 -9.561 2.031 1.00 0.00 C ATOM 599 C ILE A1184 -11.057 -9.692 1.321 1.00 0.00 C ATOM 600 O ILE A1184 -10.303 -10.635 1.560 1.00 0.00 O ATOM 601 CB ILE A1184 -13.517 -10.140 1.147 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.523 -9.479 -0.232 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.853 -9.931 1.832 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.557 -10.057 -1.173 1.00 0.00 C ATOM 0 H ILE A1184 -13.212 -7.666 1.668 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.357 -10.128 2.961 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.339 -11.206 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.707 -8.411 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.535 -9.584 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.649 -10.340 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.850 -10.438 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -15.022 -8.865 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.505 -9.541 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.361 -11.119 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.551 -9.928 -0.745 1.00 0.00 H new ATOM 616 N LYS A1185 -10.765 -8.730 0.459 1.00 0.00 N ATOM 617 CA LYS A1185 -9.513 -8.719 -0.277 1.00 0.00 C ATOM 618 C LYS A1185 -8.427 -8.046 0.549 1.00 0.00 C ATOM 619 O LYS A1185 -7.250 -8.390 0.437 1.00 0.00 O ATOM 620 CB LYS A1185 -9.685 -7.985 -1.608 1.00 0.00 C ATOM 621 CG LYS A1185 -9.757 -8.911 -2.811 1.00 0.00 C ATOM 622 CD LYS A1185 -8.729 -8.538 -3.869 1.00 0.00 C ATOM 623 CE LYS A1185 -7.525 -9.465 -3.827 1.00 0.00 C ATOM 624 NZ LYS A1185 -6.912 -9.639 -5.173 1.00 0.00 N ATOM 0 H LYS A1185 -11.382 -7.944 0.252 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.219 -9.749 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.594 -7.385 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -8.853 -7.294 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -9.592 -9.939 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -10.757 -8.869 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -9.189 -8.582 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -8.403 -7.509 -3.715 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -6.781 -9.064 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -7.828 -10.437 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -6.094 -10.278 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -7.614 -10.046 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -6.599 -8.715 -5.534 1.00 0.00 H new ATOM 638 N LYS A1186 -8.842 -7.084 1.381 1.00 0.00 N ATOM 639 CA LYS A1186 -7.926 -6.331 2.250 1.00 0.00 C ATOM 640 C LYS A1186 -6.464 -6.503 1.832 1.00 0.00 C ATOM 641 O LYS A1186 -5.681 -7.154 2.524 1.00 0.00 O ATOM 642 CB LYS A1186 -8.108 -6.763 3.708 1.00 0.00 C ATOM 643 CG LYS A1186 -8.091 -5.604 4.692 1.00 0.00 C ATOM 644 CD LYS A1186 -6.786 -5.553 5.472 1.00 0.00 C ATOM 645 CE LYS A1186 -6.723 -4.328 6.371 1.00 0.00 C ATOM 646 NZ LYS A1186 -5.764 -4.512 7.495 1.00 0.00 N ATOM 0 H LYS A1186 -9.819 -6.805 1.472 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.175 -5.275 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -9.053 -7.297 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.317 -7.465 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -8.231 -4.667 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.927 -5.702 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -6.686 -6.455 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -5.946 -5.540 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -6.429 -3.460 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -7.715 -4.120 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -5.751 -3.655 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -6.059 -5.325 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.812 -4.685 7.114 1.00 0.00 H new ATOM 660 N GLN A1187 -6.106 -5.924 0.689 1.00 0.00 N ATOM 661 CA GLN A1187 -4.744 -6.025 0.177 1.00 0.00 C ATOM 662 C GLN A1187 -3.971 -4.733 0.413 1.00 0.00 C ATOM 663 O GLN A1187 -4.549 -3.706 0.770 1.00 0.00 O ATOM 664 CB GLN A1187 -4.767 -6.351 -1.317 1.00 0.00 C ATOM 665 CG GLN A1187 -5.062 -7.811 -1.627 1.00 0.00 C ATOM 666 CD GLN A1187 -4.187 -8.767 -0.839 1.00 0.00 C ATOM 667 OE1 GLN A1187 -3.062 -9.067 -1.237 1.00 0.00 O ATOM 668 NE2 GLN A1187 -4.702 -9.251 0.285 1.00 0.00 N ATOM 0 H GLN A1187 -6.739 -5.381 0.101 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.240 -6.828 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -5.518 -5.728 -1.803 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.803 -6.085 -1.751 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.109 -8.020 -1.408 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -4.918 -7.988 -2.693 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.639 -8.975 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -4.160 -9.899 0.857 1.00 0.00 H new ATOM 677 N CYS A1188 -2.659 -4.793 0.209 1.00 0.00 N ATOM 678 CA CYS A1188 -1.803 -3.628 0.395 1.00 0.00 C ATOM 679 C CYS A1188 -2.173 -2.522 -0.587 1.00 0.00 C ATOM 680 O CYS A1188 -2.169 -2.730 -1.800 1.00 0.00 O ATOM 681 CB CYS A1188 -0.334 -4.015 0.216 1.00 0.00 C ATOM 682 SG CYS A1188 0.492 -4.510 1.747 1.00 0.00 S ATOM 0 H CYS A1188 -2.166 -5.636 -0.085 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.952 -3.255 1.408 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.270 -4.834 -0.500 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.203 -3.171 -0.217 1.00 0.00 H new ATOM 0 HG CYS A1188 1.728 -4.820 1.492 1.00 0.00 H new ATOM 688 N CYS A1189 -2.494 -1.348 -0.056 1.00 0.00 N ATOM 689 CA CYS A1189 -2.870 -0.206 -0.884 1.00 0.00 C ATOM 690 C CYS A1189 -1.828 0.054 -1.971 1.00 0.00 C ATOM 691 O CYS A1189 -0.633 0.163 -1.693 1.00 0.00 O ATOM 692 CB CYS A1189 -3.051 1.039 -0.015 1.00 0.00 C ATOM 693 SG CYS A1189 -3.211 2.581 -0.946 1.00 0.00 S ATOM 0 H CYS A1189 -2.502 -1.161 0.947 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.816 -0.439 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -3.938 0.909 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.200 1.123 0.660 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.470 2.847 -1.131 1.00 0.00 H new ATOM 698 N LYS A1190 -2.299 0.148 -3.207 1.00 0.00 N ATOM 699 CA LYS A1190 -1.436 0.392 -4.354 1.00 0.00 C ATOM 700 C LYS A1190 -0.639 1.686 -4.193 1.00 0.00 C ATOM 701 O LYS A1190 0.524 1.759 -4.590 1.00 0.00 O ATOM 702 CB LYS A1190 -2.278 0.444 -5.631 1.00 0.00 C ATOM 703 CG LYS A1190 -3.120 -0.804 -5.844 1.00 0.00 C ATOM 704 CD LYS A1190 -3.223 -1.166 -7.317 1.00 0.00 C ATOM 705 CE LYS A1190 -4.471 -0.577 -7.951 1.00 0.00 C ATOM 706 NZ LYS A1190 -4.362 0.897 -8.131 1.00 0.00 N ATOM 0 H LYS A1190 -3.287 0.058 -3.442 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.721 -0.428 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -2.933 1.314 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.619 0.580 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.682 -1.637 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.119 -0.643 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -2.341 -0.803 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -3.236 -2.250 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.643 -1.049 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -5.336 -0.803 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -5.288 1.283 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -4.056 1.334 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -3.666 1.105 -8.875 1.00 0.00 H new ATOM 720 N MET A1191 -1.266 2.706 -3.614 1.00 0.00 N ATOM 721 CA MET A1191 -0.605 3.990 -3.410 1.00 0.00 C ATOM 722 C MET A1191 0.304 3.959 -2.184 1.00 0.00 C ATOM 723 O MET A1191 1.129 4.851 -1.998 1.00 0.00 O ATOM 724 CB MET A1191 -1.643 5.100 -3.248 1.00 0.00 C ATOM 725 CG MET A1191 -2.667 5.146 -4.369 1.00 0.00 C ATOM 726 SD MET A1191 -2.184 6.258 -5.705 1.00 0.00 S ATOM 727 CE MET A1191 -2.046 7.809 -4.820 1.00 0.00 C ATOM 0 H MET A1191 -2.229 2.668 -3.279 1.00 0.00 H new ATOM 0 HA MET A1191 0.008 4.189 -4.289 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.162 4.965 -2.299 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.130 6.060 -3.197 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.807 4.142 -4.770 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.628 5.465 -3.965 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.335 8.630 -5.477 1.00 0.00 H new ATOM 0 HE2 MET A1191 -2.703 7.792 -3.951 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.016 7.951 -4.493 1.00 0.00 H new ATOM 737 N ARG A1192 0.141 2.938 -1.347 1.00 0.00 N ATOM 738 CA ARG A1192 0.940 2.801 -0.133 1.00 0.00 C ATOM 739 C ARG A1192 2.211 2.006 -0.389 1.00 0.00 C ATOM 740 O ARG A1192 3.241 2.236 0.244 1.00 0.00 O ATOM 741 CB ARG A1192 0.123 2.102 0.943 1.00 0.00 C ATOM 742 CG ARG A1192 -0.866 3.017 1.639 1.00 0.00 C ATOM 743 CD ARG A1192 -1.717 2.263 2.649 1.00 0.00 C ATOM 744 NE ARG A1192 -1.513 2.751 4.008 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.067 2.199 5.084 1.00 0.00 C ATOM 746 NH1 ARG A1192 -2.868 1.148 4.963 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.820 2.697 6.286 1.00 0.00 N ATOM 0 H ARG A1192 -0.539 2.191 -1.488 1.00 0.00 H new ATOM 0 HA ARG A1192 1.220 3.802 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.418 1.269 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.800 1.679 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.327 3.818 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.512 3.486 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.769 2.362 2.382 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.476 1.201 2.605 1.00 0.00 H new ATOM 0 HE ARG A1192 -0.910 3.563 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.062 0.758 4.041 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.289 0.730 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.205 3.504 6.387 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.245 2.273 7.111 1.00 0.00 H new ATOM 761 N LYS A1193 2.122 1.061 -1.310 1.00 0.00 N ATOM 762 CA LYS A1193 3.259 0.208 -1.646 1.00 0.00 C ATOM 763 C LYS A1193 4.481 1.044 -2.010 1.00 0.00 C ATOM 764 O LYS A1193 4.447 1.846 -2.942 1.00 0.00 O ATOM 765 CB LYS A1193 2.900 -0.723 -2.807 1.00 0.00 C ATOM 766 CG LYS A1193 2.280 -2.038 -2.364 1.00 0.00 C ATOM 767 CD LYS A1193 2.729 -3.191 -3.247 1.00 0.00 C ATOM 768 CE LYS A1193 3.829 -4.005 -2.585 1.00 0.00 C ATOM 769 NZ LYS A1193 5.144 -3.310 -2.640 1.00 0.00 N ATOM 0 H LYS A1193 1.274 0.862 -1.841 1.00 0.00 H new ATOM 0 HA LYS A1193 3.501 -0.392 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A1193 2.206 -0.209 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.800 -0.932 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.556 -2.242 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A1193 1.193 -1.957 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A1193 1.878 -3.837 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A1193 3.086 -2.802 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A1193 3.563 -4.197 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A1193 3.910 -4.974 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 5.867 -3.898 -2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 5.411 -3.149 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 5.075 -2.396 -2.148 1.00 0.00 H new ATOM 783 N CYS A1194 5.556 0.856 -1.250 1.00 0.00 N ATOM 784 CA CYS A1194 6.793 1.596 -1.467 1.00 0.00 C ATOM 785 C CYS A1194 7.334 1.388 -2.879 1.00 0.00 C ATOM 786 O CYS A1194 7.171 0.323 -3.477 1.00 0.00 O ATOM 787 CB CYS A1194 7.845 1.190 -0.435 1.00 0.00 C ATOM 788 SG CYS A1194 9.439 2.019 -0.644 1.00 0.00 S ATOM 0 H CYS A1194 5.594 0.194 -0.475 1.00 0.00 H new ATOM 0 HA CYS A1194 6.567 2.656 -1.349 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.463 1.406 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.997 0.112 -0.491 1.00 0.00 H new ATOM 0 HG CYS A1194 9.243 3.250 -1.014 1.00 0.00 H new ATOM 793 N GLN A1195 7.968 2.430 -3.399 1.00 0.00 N ATOM 794 CA GLN A1195 8.539 2.420 -4.736 1.00 0.00 C ATOM 795 C GLN A1195 10.047 2.186 -4.702 1.00 0.00 C ATOM 796 O GLN A1195 10.618 1.619 -5.634 1.00 0.00 O ATOM 797 CB GLN A1195 8.246 3.760 -5.407 1.00 0.00 C ATOM 798 CG GLN A1195 6.950 3.770 -6.193 1.00 0.00 C ATOM 799 CD GLN A1195 6.885 4.900 -7.202 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.666 4.944 -8.152 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.950 5.822 -6.999 1.00 0.00 N ATOM 0 H GLN A1195 8.101 3.310 -2.901 1.00 0.00 H new ATOM 0 HA GLN A1195 8.088 1.602 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.206 4.538 -4.645 1.00 0.00 H new ATOM 0 HB3 GLN A1195 9.070 4.011 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.838 2.818 -6.712 1.00 0.00 H new ATOM 0 HG3 GLN A1195 6.112 3.857 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A1195 5.324 5.745 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.859 6.606 -7.645 1.00 0.00 H new ATOM 810 N ASN A1196 10.691 2.643 -3.633 1.00 0.00 N ATOM 811 CA ASN A1196 12.133 2.499 -3.490 1.00 0.00 C ATOM 812 C ASN A1196 12.494 1.922 -2.129 1.00 0.00 C ATOM 813 O ASN A1196 12.233 2.529 -1.093 1.00 0.00 O ATOM 814 CB ASN A1196 12.811 3.860 -3.697 1.00 0.00 C ATOM 815 CG ASN A1196 14.248 3.891 -3.212 1.00 0.00 C ATOM 816 OD1 ASN A1196 15.050 3.019 -3.548 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.576 4.902 -2.417 1.00 0.00 N ATOM 0 H ASN A1196 10.235 3.117 -2.853 1.00 0.00 H new ATOM 0 HA ASN A1196 12.490 1.803 -4.249 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.786 4.114 -4.757 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.241 4.627 -3.172 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.527 4.980 -2.057 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.877 5.601 -2.166 1.00 0.00 H new ATOM 824 N LEU A1197 13.102 0.746 -2.142 1.00 0.00 N ATOM 825 CA LEU A1197 13.501 0.084 -0.911 1.00 0.00 C ATOM 826 C LEU A1197 14.943 -0.404 -1.007 1.00 0.00 C ATOM 827 O LEU A1197 15.468 -0.603 -2.102 1.00 0.00 O ATOM 828 CB LEU A1197 12.574 -1.097 -0.622 1.00 0.00 C ATOM 829 CG LEU A1197 11.135 -0.952 -1.130 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.865 -1.927 -2.259 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.145 -1.186 -0.006 1.00 0.00 C ATOM 0 H LEU A1197 13.330 0.231 -2.992 1.00 0.00 H new ATOM 0 HA LEU A1197 13.428 0.804 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A1197 13.008 -1.993 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.545 -1.257 0.456 1.00 0.00 H new ATOM 0 HG LEU A1197 11.012 0.065 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.838 -1.808 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.551 -1.729 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A1197 11.011 -2.946 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.130 -1.078 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.278 -2.192 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.314 -0.456 0.786 1.00 0.00 H new