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 -80:sc= -0.318 USER MOD Set 1.2: A1158 CYS SG : rot -54:sc= 2.13 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= 0.0207 USER MOD Set 1.4: A1194 CYS SG : rot 45:sc= -2.94 USER MOD Set 2.1: A1172 ASN : amide:sc= -3.93! C(o=-15!,f=-15!) USER MOD Set 2.2: A1187 GLN : amide:sc= -10.6! C(o=-15!,f=-13!) USER MOD Set 3.1: A1167 CYS SG : rot -32:sc= 0.503 USER MOD Set 3.2: A1170 CYS SG : rot -59:sc= 0.0693 USER MOD Set 3.3: A1173 CYS SG : rot -29:sc= -0.515! USER MOD Set 3.4: A1189 CYS SG : rot 95:sc= -0.0123 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -2.8! C(o=-2.8!,f=-2.4!) USER MOD Single : A1171 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A1176 LYS NZ :NH3+ -145:sc= -0.204 (180deg=-1.61!) USER MOD Single : A1178 LYS NZ :NH3+ -130:sc= 1.05 (180deg=-0.599) USER MOD Single : A1183 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.24) 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 : 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 -150:sc= -0.22 (180deg=-0.957) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.37) USER MOD Single : A1196 ASN : amide:sc= -0.0379 X(o=-0.038,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.723 -0.733 2.706 1.00 0.00 N ATOM 179 CA ARG A1154 11.185 0.495 2.137 1.00 0.00 C ATOM 180 C ARG A1154 11.990 1.708 2.589 1.00 0.00 C ATOM 181 O ARG A1154 12.409 1.802 3.743 1.00 0.00 O ATOM 182 CB ARG A1154 9.716 0.661 2.534 1.00 0.00 C ATOM 183 CG ARG A1154 8.897 -0.616 2.386 1.00 0.00 C ATOM 184 CD ARG A1154 8.166 -0.970 3.673 1.00 0.00 C ATOM 185 NE ARG A1154 6.741 -1.202 3.446 1.00 0.00 N ATOM 186 CZ ARG A1154 6.243 -2.335 2.955 1.00 0.00 C ATOM 187 NH1 ARG A1154 7.049 -3.342 2.640 1.00 0.00 N ATOM 188 NH2 ARG A1154 4.934 -2.462 2.779 1.00 0.00 N ATOM 0 HA ARG A1154 11.256 0.425 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.664 0.999 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.268 1.443 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.174 -0.493 1.579 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.554 -1.438 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A1154 8.614 -1.862 4.111 1.00 0.00 H new ATOM 0 HD3 ARG A1154 8.292 -0.163 4.395 1.00 0.00 H new ATOM 0 HE ARG A1154 6.090 -0.452 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A1154 8.056 -3.250 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A1154 6.661 -4.207 2.264 1.00 0.00 H new ATOM 0 HH21 ARG A1154 4.310 -1.692 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A1154 4.552 -3.330 2.403 1.00 0.00 H new ATOM 202 N CYS A1155 12.204 2.627 1.660 1.00 0.00 N ATOM 203 CA CYS A1155 12.964 3.842 1.924 1.00 0.00 C ATOM 204 C CYS A1155 12.355 4.656 3.064 1.00 0.00 C ATOM 205 O CYS A1155 13.045 5.022 4.015 1.00 0.00 O ATOM 206 CB CYS A1155 13.037 4.690 0.655 1.00 0.00 C ATOM 207 SG CYS A1155 11.429 5.059 -0.085 1.00 0.00 S ATOM 0 H CYS A1155 11.857 2.553 0.704 1.00 0.00 H new ATOM 0 HA CYS A1155 13.969 3.549 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.541 5.628 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.652 4.171 -0.080 1.00 0.00 H new ATOM 0 HG CYS A1155 11.022 4.034 -0.773 1.00 0.00 H new ATOM 213 N GLY A1156 11.065 4.938 2.959 1.00 0.00 N ATOM 214 CA GLY A1156 10.387 5.711 3.983 1.00 0.00 C ATOM 215 C GLY A1156 10.255 7.182 3.625 1.00 0.00 C ATOM 216 O GLY A1156 10.091 8.024 4.507 1.00 0.00 O ATOM 0 H GLY A1156 10.473 4.645 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.394 5.292 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.933 5.619 4.922 1.00 0.00 H new ATOM 220 N GLN A1157 10.336 7.498 2.332 1.00 0.00 N ATOM 221 CA GLN A1157 10.232 8.884 1.882 1.00 0.00 C ATOM 222 C GLN A1157 9.734 8.973 0.440 1.00 0.00 C ATOM 223 O GLN A1157 9.973 9.967 -0.245 1.00 0.00 O ATOM 224 CB GLN A1157 11.586 9.582 2.007 1.00 0.00 C ATOM 225 CG GLN A1157 11.986 9.882 3.442 1.00 0.00 C ATOM 226 CD GLN A1157 12.793 11.160 3.567 1.00 0.00 C ATOM 227 OE1 GLN A1157 14.005 11.166 3.351 1.00 0.00 O ATOM 228 NE2 GLN A1157 12.123 12.252 3.918 1.00 0.00 N ATOM 0 H GLN A1157 10.472 6.818 1.584 1.00 0.00 H new ATOM 0 HA GLN A1157 9.504 9.384 2.521 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.352 8.956 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.558 10.515 1.444 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.089 9.961 4.056 1.00 0.00 H new ATOM 0 HG3 GLN A1157 12.569 9.049 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A1157 11.118 12.202 4.087 1.00 0.00 H new ATOM 0 HE22 GLN A1157 12.613 13.141 4.018 1.00 0.00 H new ATOM 237 N CYS A1158 9.033 7.938 -0.014 1.00 0.00 N ATOM 238 CA CYS A1158 8.495 7.915 -1.371 1.00 0.00 C ATOM 239 C CYS A1158 6.979 8.090 -1.335 1.00 0.00 C ATOM 240 O CYS A1158 6.377 8.136 -0.261 1.00 0.00 O ATOM 241 CB CYS A1158 8.868 6.605 -2.073 1.00 0.00 C ATOM 242 SG CYS A1158 8.132 5.141 -1.322 1.00 0.00 S ATOM 0 H CYS A1158 8.824 7.105 0.537 1.00 0.00 H new ATOM 0 HA CYS A1158 8.929 8.740 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.557 6.662 -3.116 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.953 6.498 -2.069 1.00 0.00 H new ATOM 0 HG CYS A1158 8.421 5.111 -0.055 1.00 0.00 H new ATOM 248 N PRO A1159 6.339 8.197 -2.509 1.00 0.00 N ATOM 249 CA PRO A1159 4.887 8.378 -2.602 1.00 0.00 C ATOM 250 C PRO A1159 4.118 7.294 -1.854 1.00 0.00 C ATOM 251 O PRO A1159 3.030 7.539 -1.337 1.00 0.00 O ATOM 252 CB PRO A1159 4.622 8.307 -4.108 1.00 0.00 C ATOM 253 CG PRO A1159 5.911 8.735 -4.721 1.00 0.00 C ATOM 254 CD PRO A1159 6.971 8.157 -3.837 1.00 0.00 C ATOM 0 HA PRO A1159 4.555 9.311 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.348 7.299 -4.418 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.803 8.964 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A1159 6.004 8.366 -5.742 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.985 9.822 -4.767 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.234 7.141 -4.130 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.889 8.745 -3.867 1.00 0.00 H new ATOM 262 N GLY A1160 4.694 6.098 -1.794 1.00 0.00 N ATOM 263 CA GLY A1160 4.052 4.998 -1.097 1.00 0.00 C ATOM 264 C GLY A1160 4.202 5.085 0.413 1.00 0.00 C ATOM 265 O GLY A1160 3.225 4.985 1.153 1.00 0.00 O ATOM 0 H GLY A1160 5.594 5.870 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.992 4.983 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.477 4.057 -1.445 1.00 0.00 H new ATOM 269 N CYS A1161 5.441 5.251 0.857 1.00 0.00 N ATOM 270 CA CYS A1161 5.762 5.329 2.275 1.00 0.00 C ATOM 271 C CYS A1161 5.093 6.521 2.957 1.00 0.00 C ATOM 272 O CYS A1161 4.876 6.506 4.168 1.00 0.00 O ATOM 273 CB CYS A1161 7.279 5.423 2.439 1.00 0.00 C ATOM 274 SG CYS A1161 8.162 3.908 2.002 1.00 0.00 S ATOM 0 H CYS A1161 6.252 5.335 0.244 1.00 0.00 H new ATOM 0 HA CYS A1161 5.380 4.428 2.755 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.651 6.239 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.507 5.678 3.474 1.00 0.00 H new ATOM 0 HG CYS A1161 8.821 3.476 3.036 1.00 0.00 H new ATOM 279 N GLN A1162 4.787 7.558 2.187 1.00 0.00 N ATOM 280 CA GLN A1162 4.165 8.757 2.743 1.00 0.00 C ATOM 281 C GLN A1162 2.648 8.625 2.873 1.00 0.00 C ATOM 282 O GLN A1162 1.980 9.573 3.281 1.00 0.00 O ATOM 283 CB GLN A1162 4.507 9.977 1.890 1.00 0.00 C ATOM 284 CG GLN A1162 3.854 9.967 0.519 1.00 0.00 C ATOM 285 CD GLN A1162 4.520 10.935 -0.440 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.861 11.782 -1.043 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.836 10.813 -0.584 1.00 0.00 N ATOM 0 H GLN A1162 4.957 7.595 1.182 1.00 0.00 H new ATOM 0 HA GLN A1162 4.568 8.885 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.201 10.878 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.589 10.031 1.767 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.898 8.960 0.105 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.800 10.225 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.342 10.096 -0.064 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.340 11.436 -1.215 1.00 0.00 H new ATOM 296 N VAL A1163 2.101 7.462 2.528 1.00 0.00 N ATOM 297 CA VAL A1163 0.659 7.258 2.622 1.00 0.00 C ATOM 298 C VAL A1163 0.290 6.374 3.813 1.00 0.00 C ATOM 299 O VAL A1163 0.304 5.148 3.712 1.00 0.00 O ATOM 300 CB VAL A1163 0.075 6.627 1.346 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.441 6.646 1.400 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.568 7.355 0.111 1.00 0.00 C ATOM 0 H VAL A1163 2.626 6.657 2.186 1.00 0.00 H new ATOM 0 HA VAL A1163 0.230 8.251 2.756 1.00 0.00 H new ATOM 0 HB VAL A1163 0.413 5.592 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.843 6.197 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.781 6.079 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.789 7.676 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.142 6.891 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.261 8.400 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.656 7.298 0.065 1.00 0.00 H new ATOM 312 N PRO A1164 -0.058 6.990 4.956 1.00 0.00 N ATOM 313 CA PRO A1164 -0.445 6.260 6.160 1.00 0.00 C ATOM 314 C PRO A1164 -1.922 5.873 6.150 1.00 0.00 C ATOM 315 O PRO A1164 -2.416 5.245 7.086 1.00 0.00 O ATOM 316 CB PRO A1164 -0.170 7.278 7.260 1.00 0.00 C ATOM 317 CG PRO A1164 -0.472 8.592 6.625 1.00 0.00 C ATOM 318 CD PRO A1164 -0.113 8.449 5.165 1.00 0.00 C ATOM 0 HA PRO A1164 0.092 5.318 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.800 7.103 8.132 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.865 7.228 7.599 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.525 8.848 6.743 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.105 9.391 7.091 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.859 8.917 4.522 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.843 8.921 4.940 1.00 0.00 H new ATOM 326 N GLU A1165 -2.626 6.261 5.087 1.00 0.00 N ATOM 327 CA GLU A1165 -4.047 5.963 4.958 1.00 0.00 C ATOM 328 C GLU A1165 -4.353 5.300 3.618 1.00 0.00 C ATOM 329 O GLU A1165 -3.492 5.214 2.744 1.00 0.00 O ATOM 330 CB GLU A1165 -4.862 7.249 5.091 1.00 0.00 C ATOM 331 CG GLU A1165 -4.521 8.295 4.040 1.00 0.00 C ATOM 332 CD GLU A1165 -4.693 9.712 4.549 1.00 0.00 C ATOM 333 OE1 GLU A1165 -3.887 10.138 5.404 1.00 0.00 O ATOM 334 OE2 GLU A1165 -5.632 10.396 4.094 1.00 0.00 O ATOM 0 H GLU A1165 -2.233 6.783 4.304 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.320 5.270 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.922 7.007 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.697 7.673 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.491 8.153 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -5.156 8.147 3.167 1.00 0.00 H new ATOM 341 N ASP A1166 -5.591 4.841 3.467 1.00 0.00 N ATOM 342 CA ASP A1166 -6.031 4.193 2.243 1.00 0.00 C ATOM 343 C ASP A1166 -6.543 5.234 1.252 1.00 0.00 C ATOM 344 O ASP A1166 -7.524 5.923 1.536 1.00 0.00 O ATOM 345 CB ASP A1166 -7.139 3.196 2.578 1.00 0.00 C ATOM 346 CG ASP A1166 -6.862 2.428 3.857 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.893 1.640 3.877 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.615 2.613 4.835 1.00 0.00 O ATOM 0 H ASP A1166 -6.311 4.908 4.186 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.192 3.667 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -8.085 3.728 2.675 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.252 2.493 1.753 1.00 0.00 H new ATOM 353 N CYS A1167 -5.887 5.363 0.091 1.00 0.00 N ATOM 354 CA CYS A1167 -6.315 6.337 -0.905 1.00 0.00 C ATOM 355 C CYS A1167 -7.826 6.259 -1.098 1.00 0.00 C ATOM 356 O CYS A1167 -8.490 7.271 -1.324 1.00 0.00 O ATOM 357 CB CYS A1167 -5.576 6.125 -2.227 1.00 0.00 C ATOM 358 SG CYS A1167 -6.025 4.618 -3.112 1.00 0.00 S ATOM 0 H CYS A1167 -5.071 4.811 -0.173 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.066 7.336 -0.547 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.767 6.981 -2.875 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.504 6.108 -2.029 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.326 3.686 -2.257 1.00 0.00 H new ATOM 364 N GLY A1168 -8.366 5.053 -0.947 1.00 0.00 N ATOM 365 CA GLY A1168 -9.798 4.866 -1.044 1.00 0.00 C ATOM 366 C GLY A1168 -10.349 4.885 -2.444 1.00 0.00 C ATOM 367 O GLY A1168 -11.538 5.141 -2.632 1.00 0.00 O ATOM 0 H GLY A1168 -7.835 4.203 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.057 3.914 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.291 5.647 -0.465 1.00 0.00 H new ATOM 371 N VAL A1169 -9.506 4.656 -3.429 1.00 0.00 N ATOM 372 CA VAL A1169 -9.963 4.696 -4.802 1.00 0.00 C ATOM 373 C VAL A1169 -9.285 3.655 -5.695 1.00 0.00 C ATOM 374 O VAL A1169 -9.664 3.491 -6.854 1.00 0.00 O ATOM 375 CB VAL A1169 -9.754 6.106 -5.349 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.486 7.098 -4.451 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.270 6.423 -5.404 1.00 0.00 C ATOM 0 H VAL A1169 -8.516 4.443 -3.308 1.00 0.00 H new ATOM 0 HA VAL A1169 -11.023 4.441 -4.810 1.00 0.00 H new ATOM 0 HB VAL A1169 -10.154 6.177 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.343 8.109 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.550 6.862 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.089 7.034 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -8.127 7.430 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.847 6.360 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.769 5.707 -6.055 1.00 0.00 H new ATOM 387 N CYS A1170 -8.314 2.924 -5.151 1.00 0.00 N ATOM 388 CA CYS A1170 -7.651 1.879 -5.917 1.00 0.00 C ATOM 389 C CYS A1170 -8.364 0.556 -5.660 1.00 0.00 C ATOM 390 O CYS A1170 -9.072 0.419 -4.669 1.00 0.00 O ATOM 391 CB CYS A1170 -6.162 1.787 -5.566 1.00 0.00 C ATOM 392 SG CYS A1170 -5.814 1.175 -3.905 1.00 0.00 S ATOM 0 H CYS A1170 -7.975 3.036 -4.196 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.707 2.120 -6.979 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.672 1.134 -6.289 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.715 2.775 -5.675 1.00 0.00 H new ATOM 0 HG CYS A1170 -6.379 1.952 -3.029 1.00 0.00 H new ATOM 398 N THR A1171 -8.212 -0.403 -6.557 1.00 0.00 N ATOM 399 CA THR A1171 -8.898 -1.694 -6.413 1.00 0.00 C ATOM 400 C THR A1171 -8.773 -2.265 -4.997 1.00 0.00 C ATOM 401 O THR A1171 -9.746 -2.768 -4.431 1.00 0.00 O ATOM 402 CB THR A1171 -8.377 -2.724 -7.435 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.667 -3.768 -6.789 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.459 -2.143 -8.488 1.00 0.00 C ATOM 0 H THR A1171 -7.627 -0.323 -7.389 1.00 0.00 H new ATOM 0 HA THR A1171 -9.953 -1.501 -6.607 1.00 0.00 H new ATOM 0 HB THR A1171 -9.276 -3.093 -7.929 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.348 -4.409 -7.458 1.00 0.00 H new ATOM 0 HG21 THR A1171 -7.138 -2.933 -9.167 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.990 -1.375 -9.051 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.587 -1.701 -8.006 1.00 0.00 H new ATOM 412 N ASN A1172 -7.574 -2.197 -4.436 1.00 0.00 N ATOM 413 CA ASN A1172 -7.315 -2.726 -3.100 1.00 0.00 C ATOM 414 C ASN A1172 -8.106 -1.989 -2.024 1.00 0.00 C ATOM 415 O ASN A1172 -8.696 -2.606 -1.138 1.00 0.00 O ATOM 416 CB ASN A1172 -5.827 -2.626 -2.785 1.00 0.00 C ATOM 417 CG ASN A1172 -4.966 -3.389 -3.770 1.00 0.00 C ATOM 418 OD1 ASN A1172 -5.277 -4.518 -4.143 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.874 -2.775 -4.197 1.00 0.00 N ATOM 0 H ASN A1172 -6.760 -1.779 -4.886 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.635 -3.768 -3.097 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.530 -1.577 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.647 -3.008 -1.780 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -3.254 -3.239 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.652 -1.837 -3.862 1.00 0.00 H new ATOM 426 N CYS A1173 -8.101 -0.669 -2.107 1.00 0.00 N ATOM 427 CA CYS A1173 -8.803 0.166 -1.143 1.00 0.00 C ATOM 428 C CYS A1173 -10.296 0.026 -1.325 1.00 0.00 C ATOM 429 O CYS A1173 -11.033 -0.215 -0.380 1.00 0.00 O ATOM 430 CB CYS A1173 -8.382 1.621 -1.311 1.00 0.00 C ATOM 431 SG CYS A1173 -6.756 1.981 -0.618 1.00 0.00 S ATOM 0 H CYS A1173 -7.615 -0.148 -2.837 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.544 -0.159 -0.136 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.380 1.871 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -9.122 2.263 -0.834 1.00 0.00 H new ATOM 0 HG CYS A1173 -6.522 1.180 0.379 1.00 0.00 H new ATOM 436 N LEU A1174 -10.727 0.156 -2.561 1.00 0.00 N ATOM 437 CA LEU A1174 -12.125 0.023 -2.900 1.00 0.00 C ATOM 438 C LEU A1174 -12.620 -1.361 -2.530 1.00 0.00 C ATOM 439 O LEU A1174 -13.806 -1.570 -2.279 1.00 0.00 O ATOM 440 CB LEU A1174 -12.295 0.306 -4.379 1.00 0.00 C ATOM 441 CG LEU A1174 -11.730 1.654 -4.788 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.753 1.816 -6.296 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.502 2.755 -4.079 1.00 0.00 C ATOM 0 H LEU A1174 -10.120 0.356 -3.356 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.723 0.740 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.803 -0.479 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.355 0.269 -4.632 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.685 1.721 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.343 2.790 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -11.153 1.031 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.780 1.744 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -12.100 3.726 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.554 2.699 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.406 2.630 -3.000 1.00 0.00 H new ATOM 455 N ASP A1175 -11.685 -2.299 -2.470 1.00 0.00 N ATOM 456 CA ASP A1175 -11.998 -3.660 -2.098 1.00 0.00 C ATOM 457 C ASP A1175 -12.279 -3.750 -0.596 1.00 0.00 C ATOM 458 O ASP A1175 -12.755 -4.775 -0.118 1.00 0.00 O ATOM 459 CB ASP A1175 -10.836 -4.574 -2.483 1.00 0.00 C ATOM 460 CG ASP A1175 -11.103 -5.337 -3.766 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.594 -4.717 -4.733 1.00 0.00 O ATOM 462 OD2 ASP A1175 -10.822 -6.553 -3.804 1.00 0.00 O ATOM 0 H ASP A1175 -10.700 -2.135 -2.677 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.893 -3.981 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.931 -3.978 -2.599 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.650 -5.281 -1.675 1.00 0.00 H new ATOM 467 N LYS A1176 -11.988 -2.669 0.144 1.00 0.00 N ATOM 468 CA LYS A1176 -12.217 -2.633 1.589 1.00 0.00 C ATOM 469 C LYS A1176 -13.676 -2.315 1.901 1.00 0.00 C ATOM 470 O LYS A1176 -14.407 -1.833 1.040 1.00 0.00 O ATOM 471 CB LYS A1176 -11.323 -1.576 2.235 1.00 0.00 C ATOM 472 CG LYS A1176 -9.918 -2.064 2.538 1.00 0.00 C ATOM 473 CD LYS A1176 -8.873 -1.072 2.057 1.00 0.00 C ATOM 474 CE LYS A1176 -8.003 -0.573 3.198 1.00 0.00 C ATOM 475 NZ LYS A1176 -8.806 -0.243 4.407 1.00 0.00 N ATOM 0 H LYS A1176 -11.594 -1.810 -0.239 1.00 0.00 H new ATOM 0 HA LYS A1176 -11.976 -3.616 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.263 -0.711 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.788 -1.237 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -9.808 -2.219 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.755 -3.029 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -8.246 -1.543 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.367 -0.226 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.264 -1.333 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -7.453 0.311 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -8.384 0.574 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -9.780 -0.013 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -8.816 -1.060 5.051 1.00 0.00 H new ATOM 489 N PRO A1177 -14.119 -2.565 3.145 1.00 0.00 N ATOM 490 CA PRO A1177 -15.496 -2.283 3.559 1.00 0.00 C ATOM 491 C PRO A1177 -15.792 -0.788 3.593 1.00 0.00 C ATOM 492 O PRO A1177 -16.866 -0.344 3.187 1.00 0.00 O ATOM 493 CB PRO A1177 -15.578 -2.876 4.968 1.00 0.00 C ATOM 494 CG PRO A1177 -14.173 -2.880 5.461 1.00 0.00 C ATOM 495 CD PRO A1177 -13.311 -3.116 4.251 1.00 0.00 C ATOM 0 HA PRO A1177 -16.223 -2.704 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.222 -2.277 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -15.994 -3.883 4.950 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -13.924 -1.932 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.023 -3.662 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.349 -2.610 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.102 -4.176 4.107 1.00 0.00 H new ATOM 503 N LYS A1178 -14.829 -0.019 4.088 1.00 0.00 N ATOM 504 CA LYS A1178 -14.971 1.430 4.190 1.00 0.00 C ATOM 505 C LYS A1178 -14.999 2.096 2.816 1.00 0.00 C ATOM 506 O LYS A1178 -15.326 3.277 2.702 1.00 0.00 O ATOM 507 CB LYS A1178 -13.827 2.014 5.021 1.00 0.00 C ATOM 508 CG LYS A1178 -12.446 1.644 4.504 1.00 0.00 C ATOM 509 CD LYS A1178 -11.362 2.037 5.492 1.00 0.00 C ATOM 510 CE LYS A1178 -10.495 3.161 4.950 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.705 3.823 6.025 1.00 0.00 N ATOM 0 H LYS A1178 -13.936 -0.377 4.427 1.00 0.00 H new ATOM 0 HA LYS A1178 -15.923 1.631 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -13.920 3.100 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -13.924 1.669 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.400 0.571 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.268 2.140 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -11.820 2.349 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -10.739 1.170 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -9.817 2.764 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -11.126 3.900 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.829 4.854 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -10.035 3.491 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -8.698 3.588 5.911 1.00 0.00 H new ATOM 525 N PHE A1179 -14.651 1.345 1.774 1.00 0.00 N ATOM 526 CA PHE A1179 -14.638 1.888 0.420 1.00 0.00 C ATOM 527 C PHE A1179 -15.669 1.197 -0.470 1.00 0.00 C ATOM 528 O PHE A1179 -15.518 1.149 -1.689 1.00 0.00 O ATOM 529 CB PHE A1179 -13.242 1.753 -0.186 1.00 0.00 C ATOM 530 CG PHE A1179 -12.235 2.639 0.480 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.415 4.008 0.476 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.128 2.111 1.135 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.525 4.837 1.112 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.223 2.938 1.764 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.422 4.306 1.758 1.00 0.00 C ATOM 0 H PHE A1179 -14.376 0.365 1.841 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.904 2.943 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.915 0.716 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.286 1.994 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.267 4.432 -0.034 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.976 1.042 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.686 5.905 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.360 2.519 2.260 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.719 4.958 2.256 1.00 0.00 H new ATOM 545 N GLY A1180 -16.721 0.667 0.150 1.00 0.00 N ATOM 546 CA GLY A1180 -17.766 -0.007 -0.600 1.00 0.00 C ATOM 547 C GLY A1180 -17.507 -1.493 -0.777 1.00 0.00 C ATOM 548 O GLY A1180 -18.420 -2.251 -1.100 1.00 0.00 O ATOM 0 H GLY A1180 -16.868 0.693 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.719 0.132 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.859 0.459 -1.581 1.00 0.00 H new ATOM 552 N GLY A1181 -16.263 -1.911 -0.567 1.00 0.00 N ATOM 553 CA GLY A1181 -15.918 -3.315 -0.711 1.00 0.00 C ATOM 554 C GLY A1181 -16.087 -4.096 0.580 1.00 0.00 C ATOM 555 O GLY A1181 -17.093 -3.950 1.275 1.00 0.00 O ATOM 0 H GLY A1181 -15.488 -1.304 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -16.543 -3.761 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.885 -3.398 -1.048 1.00 0.00 H new ATOM 559 N ARG A1182 -15.099 -4.929 0.898 1.00 0.00 N ATOM 560 CA ARG A1182 -15.131 -5.743 2.110 1.00 0.00 C ATOM 561 C ARG A1182 -13.719 -5.965 2.645 1.00 0.00 C ATOM 562 O ARG A1182 -12.735 -5.683 1.965 1.00 0.00 O ATOM 563 CB ARG A1182 -15.794 -7.094 1.829 1.00 0.00 C ATOM 564 CG ARG A1182 -17.083 -6.993 1.031 1.00 0.00 C ATOM 565 CD ARG A1182 -17.990 -8.188 1.281 1.00 0.00 C ATOM 566 NE ARG A1182 -19.356 -7.782 1.602 1.00 0.00 N ATOM 567 CZ ARG A1182 -19.740 -7.359 2.805 1.00 0.00 C ATOM 568 NH1 ARG A1182 -18.865 -7.283 3.800 1.00 0.00 N ATOM 569 NH2 ARG A1182 -21.002 -7.009 3.011 1.00 0.00 N ATOM 0 H ARG A1182 -14.262 -5.058 0.329 1.00 0.00 H new ATOM 0 HA ARG A1182 -15.714 -5.210 2.861 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.091 -7.727 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.003 -7.589 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -17.607 -6.075 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -16.850 -6.928 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.000 -8.826 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -17.587 -8.784 2.100 1.00 0.00 H new ATOM 0 HE ARG A1182 -20.056 -7.825 0.862 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -17.893 -7.549 3.645 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -19.165 -6.958 4.719 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -21.677 -7.064 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -21.298 -6.685 3.932 1.00 0.00 H new ATOM 583 N ASN A1183 -13.619 -6.475 3.866 1.00 0.00 N ATOM 584 CA ASN A1183 -12.318 -6.731 4.476 1.00 0.00 C ATOM 585 C ASN A1183 -11.871 -8.168 4.221 1.00 0.00 C ATOM 586 O ASN A1183 -11.185 -8.774 5.044 1.00 0.00 O ATOM 587 CB ASN A1183 -12.378 -6.457 5.977 1.00 0.00 C ATOM 588 CG ASN A1183 -11.027 -6.083 6.554 1.00 0.00 C ATOM 589 OD1 ASN A1183 -10.313 -6.929 7.093 1.00 0.00 O ATOM 590 ND2 ASN A1183 -10.669 -4.809 6.443 1.00 0.00 N ATOM 0 H ASN A1183 -14.418 -6.719 4.452 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.589 -6.060 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.087 -5.651 6.168 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -12.756 -7.342 6.490 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -9.771 -4.498 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -11.292 -4.142 5.988 1.00 0.00 H new ATOM 597 N ILE A1184 -12.274 -8.705 3.074 1.00 0.00 N ATOM 598 CA ILE A1184 -11.931 -10.071 2.696 1.00 0.00 C ATOM 599 C ILE A1184 -10.592 -10.123 1.968 1.00 0.00 C ATOM 600 O ILE A1184 -9.752 -10.978 2.246 1.00 0.00 O ATOM 601 CB ILE A1184 -13.038 -10.693 1.811 1.00 0.00 C ATOM 602 CG1 ILE A1184 -12.877 -10.283 0.342 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.401 -10.266 2.325 1.00 0.00 C ATOM 604 CD1 ILE A1184 -13.997 -10.773 -0.553 1.00 0.00 C ATOM 0 H ILE A1184 -12.842 -8.211 2.386 1.00 0.00 H new ATOM 0 HA ILE A1184 -11.847 -10.653 3.614 1.00 0.00 H new ATOM 0 HB ILE A1184 -12.949 -11.778 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -12.824 -9.196 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -11.929 -10.670 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.179 -10.705 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.525 -10.607 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.479 -9.179 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -13.815 -10.445 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.037 -11.862 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -14.946 -10.365 -0.205 1.00 0.00 H new ATOM 616 N LYS A1185 -10.408 -9.201 1.030 1.00 0.00 N ATOM 617 CA LYS A1185 -9.180 -9.136 0.253 1.00 0.00 C ATOM 618 C LYS A1185 -8.118 -8.336 0.987 1.00 0.00 C ATOM 619 O LYS A1185 -6.955 -8.739 1.037 1.00 0.00 O ATOM 620 CB LYS A1185 -9.447 -8.488 -1.107 1.00 0.00 C ATOM 621 CG LYS A1185 -8.646 -9.099 -2.244 1.00 0.00 C ATOM 622 CD LYS A1185 -9.548 -9.586 -3.365 1.00 0.00 C ATOM 623 CE LYS A1185 -9.830 -11.076 -3.246 1.00 0.00 C ATOM 624 NZ LYS A1185 -10.382 -11.639 -4.510 1.00 0.00 N ATOM 0 H LYS A1185 -11.096 -8.488 0.790 1.00 0.00 H new ATOM 0 HA LYS A1185 -8.821 -10.155 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.509 -8.572 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.218 -7.424 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -7.946 -8.360 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -8.053 -9.932 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -10.488 -9.034 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -9.079 -9.379 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -8.910 -11.600 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -10.535 -11.248 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -10.561 -12.656 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -11.273 -11.157 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -9.698 -11.498 -5.281 1.00 0.00 H new ATOM 638 N LYS A1186 -8.528 -7.194 1.546 1.00 0.00 N ATOM 639 CA LYS A1186 -7.611 -6.308 2.274 1.00 0.00 C ATOM 640 C LYS A1186 -6.185 -6.439 1.735 1.00 0.00 C ATOM 641 O LYS A1186 -5.393 -7.234 2.243 1.00 0.00 O ATOM 642 CB LYS A1186 -7.640 -6.621 3.771 1.00 0.00 C ATOM 643 CG LYS A1186 -7.719 -5.381 4.647 1.00 0.00 C ATOM 644 CD LYS A1186 -7.134 -5.632 6.029 1.00 0.00 C ATOM 645 CE LYS A1186 -5.988 -4.679 6.335 1.00 0.00 C ATOM 646 NZ LYS A1186 -4.664 -5.353 6.239 1.00 0.00 N ATOM 0 H LYS A1186 -9.491 -6.859 1.509 1.00 0.00 H new ATOM 0 HA LYS A1186 -7.943 -5.281 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -8.496 -7.262 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -6.745 -7.186 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -7.183 -4.562 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.759 -5.068 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -7.914 -5.517 6.781 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.779 -6.661 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -6.019 -3.839 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -6.115 -4.269 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -3.910 -4.670 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -4.624 -6.139 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.531 -5.722 5.276 1.00 0.00 H new ATOM 660 N GLN A1187 -5.873 -5.678 0.690 1.00 0.00 N ATOM 661 CA GLN A1187 -4.554 -5.737 0.073 1.00 0.00 C ATOM 662 C GLN A1187 -3.787 -4.438 0.284 1.00 0.00 C ATOM 663 O GLN A1187 -4.351 -3.432 0.711 1.00 0.00 O ATOM 664 CB GLN A1187 -4.682 -6.024 -1.430 1.00 0.00 C ATOM 665 CG GLN A1187 -5.881 -6.889 -1.803 1.00 0.00 C ATOM 666 CD GLN A1187 -7.024 -6.084 -2.385 1.00 0.00 C ATOM 667 OE1 GLN A1187 -7.108 -5.886 -3.596 1.00 0.00 O ATOM 668 NE2 GLN A1187 -7.923 -5.632 -1.524 1.00 0.00 N ATOM 0 H GLN A1187 -6.514 -5.015 0.254 1.00 0.00 H new ATOM 0 HA GLN A1187 -3.999 -6.545 0.550 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -4.752 -5.077 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.772 -6.517 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -5.569 -7.644 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.230 -7.420 -0.918 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -7.814 -5.820 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -8.724 -5.096 -1.858 1.00 0.00 H new ATOM 677 N CYS A1188 -2.494 -4.470 -0.024 1.00 0.00 N ATOM 678 CA CYS A1188 -1.646 -3.296 0.124 1.00 0.00 C ATOM 679 C CYS A1188 -2.067 -2.203 -0.852 1.00 0.00 C ATOM 680 O CYS A1188 -1.997 -2.383 -2.068 1.00 0.00 O ATOM 681 CB CYS A1188 -0.179 -3.667 -0.107 1.00 0.00 C ATOM 682 SG CYS A1188 0.721 -4.096 1.402 1.00 0.00 S ATOM 0 H CYS A1188 -2.012 -5.297 -0.377 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.760 -2.918 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.133 -4.510 -0.797 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.324 -2.830 -0.592 1.00 0.00 H new ATOM 0 HG CYS A1188 1.950 -4.396 1.104 1.00 0.00 H new ATOM 688 N CYS A1189 -2.506 -1.072 -0.312 1.00 0.00 N ATOM 689 CA CYS A1189 -2.943 0.054 -1.130 1.00 0.00 C ATOM 690 C CYS A1189 -1.925 0.370 -2.227 1.00 0.00 C ATOM 691 O CYS A1189 -0.725 0.472 -1.969 1.00 0.00 O ATOM 692 CB CYS A1189 -3.175 1.282 -0.249 1.00 0.00 C ATOM 693 SG CYS A1189 -3.400 2.827 -1.160 1.00 0.00 S ATOM 0 H CYS A1189 -2.569 -0.910 0.693 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.881 -0.220 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.055 1.108 0.370 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.327 1.394 0.427 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.670 3.050 -1.329 1.00 0.00 H new ATOM 698 N LYS A1190 -2.422 0.518 -3.448 1.00 0.00 N ATOM 699 CA LYS A1190 -1.583 0.817 -4.603 1.00 0.00 C ATOM 700 C LYS A1190 -0.738 2.071 -4.379 1.00 0.00 C ATOM 701 O LYS A1190 0.434 2.112 -4.753 1.00 0.00 O ATOM 702 CB LYS A1190 -2.459 0.991 -5.845 1.00 0.00 C ATOM 703 CG LYS A1190 -3.319 -0.222 -6.155 1.00 0.00 C ATOM 704 CD LYS A1190 -3.705 -0.269 -7.624 1.00 0.00 C ATOM 705 CE LYS A1190 -4.143 -1.662 -8.041 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.985 -2.522 -8.410 1.00 0.00 N ATOM 0 H LYS A1190 -3.415 0.435 -3.666 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.900 -0.020 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -3.105 1.858 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.821 1.203 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.778 -1.130 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.220 -0.197 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.512 0.439 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.858 0.045 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.696 -2.128 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.826 -1.589 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -3.327 -3.464 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.472 -2.091 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -2.346 -2.613 -7.594 1.00 0.00 H new ATOM 720 N MET A1191 -1.338 3.094 -3.776 1.00 0.00 N ATOM 721 CA MET A1191 -0.634 4.345 -3.516 1.00 0.00 C ATOM 722 C MET A1191 0.255 4.242 -2.281 1.00 0.00 C ATOM 723 O MET A1191 1.106 5.098 -2.053 1.00 0.00 O ATOM 724 CB MET A1191 -1.637 5.484 -3.332 1.00 0.00 C ATOM 725 CG MET A1191 -2.634 5.609 -4.473 1.00 0.00 C ATOM 726 SD MET A1191 -2.096 6.774 -5.740 1.00 0.00 S ATOM 727 CE MET A1191 -2.105 8.308 -4.815 1.00 0.00 C ATOM 0 H MET A1191 -2.307 3.081 -3.459 1.00 0.00 H new ATOM 0 HA MET A1191 0.002 4.551 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.182 5.330 -2.400 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.093 6.423 -3.232 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.786 4.630 -4.926 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.597 5.929 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.325 9.137 -5.488 1.00 0.00 H new ATOM 0 HE2 MET A1191 -2.867 8.259 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.128 8.462 -4.357 1.00 0.00 H new ATOM 737 N ARG A1192 0.047 3.201 -1.480 1.00 0.00 N ATOM 738 CA ARG A1192 0.824 2.997 -0.262 1.00 0.00 C ATOM 739 C ARG A1192 2.081 2.184 -0.530 1.00 0.00 C ATOM 740 O ARG A1192 3.106 2.367 0.126 1.00 0.00 O ATOM 741 CB ARG A1192 -0.025 2.276 0.772 1.00 0.00 C ATOM 742 CG ARG A1192 -1.010 3.184 1.483 1.00 0.00 C ATOM 743 CD ARG A1192 -1.846 2.424 2.501 1.00 0.00 C ATOM 744 NE ARG A1192 -1.586 2.870 3.865 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.142 2.317 4.941 1.00 0.00 C ATOM 746 NH1 ARG A1192 -2.994 1.307 4.812 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.846 2.773 6.149 1.00 0.00 N ATOM 0 H ARG A1192 -0.656 2.483 -1.654 1.00 0.00 H new ATOM 0 HA ARG A1192 1.122 3.977 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.573 1.470 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.630 1.814 1.511 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.468 3.986 1.984 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.667 3.652 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.904 2.556 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.633 1.358 2.421 1.00 0.00 H new ATOM 0 HE ARG A1192 -0.942 3.649 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.226 0.951 3.885 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.417 0.887 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.192 3.548 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.272 2.349 6.973 1.00 0.00 H new ATOM 761 N LYS A1193 1.986 1.276 -1.488 1.00 0.00 N ATOM 762 CA LYS A1193 3.110 0.413 -1.838 1.00 0.00 C ATOM 763 C LYS A1193 4.355 1.238 -2.148 1.00 0.00 C ATOM 764 O LYS A1193 4.325 2.141 -2.985 1.00 0.00 O ATOM 765 CB LYS A1193 2.753 -0.465 -3.039 1.00 0.00 C ATOM 766 CG LYS A1193 2.128 -1.797 -2.654 1.00 0.00 C ATOM 767 CD LYS A1193 2.335 -2.843 -3.737 1.00 0.00 C ATOM 768 CE LYS A1193 1.088 -3.019 -4.588 1.00 0.00 C ATOM 769 NZ LYS A1193 1.164 -2.237 -5.854 1.00 0.00 N ATOM 0 H LYS A1193 1.143 1.115 -2.039 1.00 0.00 H new ATOM 0 HA LYS A1193 3.324 -0.226 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A1193 2.062 0.079 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.654 -0.651 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.565 -2.148 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A1193 1.061 -1.662 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A1193 3.171 -2.550 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A1193 2.601 -3.795 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A1193 0.954 -4.075 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A1193 0.213 -2.705 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 0.295 -2.384 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 1.266 -1.226 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 1.984 -2.554 -6.409 1.00 0.00 H new ATOM 783 N CYS A1194 5.444 0.926 -1.453 1.00 0.00 N ATOM 784 CA CYS A1194 6.701 1.641 -1.630 1.00 0.00 C ATOM 785 C CYS A1194 7.250 1.472 -3.045 1.00 0.00 C ATOM 786 O CYS A1194 7.063 0.436 -3.684 1.00 0.00 O ATOM 787 CB CYS A1194 7.730 1.165 -0.602 1.00 0.00 C ATOM 788 SG CYS A1194 9.377 1.875 -0.821 1.00 0.00 S ATOM 0 H CYS A1194 5.480 0.179 -0.759 1.00 0.00 H new ATOM 0 HA CYS A1194 6.504 2.702 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.370 1.411 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.805 0.079 -0.655 1.00 0.00 H new ATOM 0 HG CYS A1194 9.273 3.152 -1.041 1.00 0.00 H new ATOM 793 N GLN A1195 7.918 2.515 -3.521 1.00 0.00 N ATOM 794 CA GLN A1195 8.499 2.536 -4.853 1.00 0.00 C ATOM 795 C GLN A1195 10.007 2.295 -4.815 1.00 0.00 C ATOM 796 O GLN A1195 10.582 1.755 -5.759 1.00 0.00 O ATOM 797 CB GLN A1195 8.216 3.892 -5.495 1.00 0.00 C ATOM 798 CG GLN A1195 6.911 3.935 -6.267 1.00 0.00 C ATOM 799 CD GLN A1195 6.790 5.163 -7.147 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.315 5.198 -8.260 1.00 0.00 O ATOM 801 NE2 GLN A1195 6.097 6.181 -6.650 1.00 0.00 N ATOM 0 H GLN A1195 8.071 3.372 -2.990 1.00 0.00 H new ATOM 0 HA GLN A1195 8.048 1.733 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.195 4.656 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A1195 9.036 4.145 -6.168 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.830 3.041 -6.885 1.00 0.00 H new ATOM 0 HG3 GLN A1195 6.078 3.913 -5.565 1.00 0.00 H new ATOM 0 HE21 GLN A1195 5.679 6.109 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.983 7.035 -7.196 1.00 0.00 H new ATOM 810 N ASN A1196 10.644 2.715 -3.726 1.00 0.00 N ATOM 811 CA ASN A1196 12.085 2.560 -3.579 1.00 0.00 C ATOM 812 C ASN A1196 12.433 1.938 -2.234 1.00 0.00 C ATOM 813 O ASN A1196 12.147 2.502 -1.180 1.00 0.00 O ATOM 814 CB ASN A1196 12.773 3.921 -3.737 1.00 0.00 C ATOM 815 CG ASN A1196 14.218 3.917 -3.277 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.999 3.040 -3.648 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.577 4.902 -2.464 1.00 0.00 N ATOM 0 H ASN A1196 10.185 3.165 -2.934 1.00 0.00 H new ATOM 0 HA ASN A1196 12.443 1.888 -4.359 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.733 4.222 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.220 4.669 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.535 4.955 -2.119 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.895 5.606 -2.184 1.00 0.00 H new ATOM 824 N LEU A1197 13.053 0.770 -2.282 1.00 0.00 N ATOM 825 CA LEU A1197 13.439 0.065 -1.071 1.00 0.00 C ATOM 826 C LEU A1197 14.890 -0.393 -1.143 1.00 0.00 C ATOM 827 O LEU A1197 15.422 -0.635 -2.226 1.00 0.00 O ATOM 828 CB LEU A1197 12.537 -1.151 -0.866 1.00 0.00 C ATOM 829 CG LEU A1197 11.097 -1.003 -1.363 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.842 -1.911 -2.549 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.115 -1.322 -0.254 1.00 0.00 C ATOM 0 H LEU A1197 13.300 0.290 -3.147 1.00 0.00 H new ATOM 0 HA LEU A1197 13.330 0.752 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.990 -2.005 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.512 -1.386 0.198 1.00 0.00 H new ATOM 0 HG LEU A1197 10.955 0.031 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.812 -1.789 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.522 -1.650 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A1197 11.008 -2.948 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.097 -1.211 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.268 -2.347 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.273 -0.638 0.580 1.00 0.00 H new