USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=16 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 -88:sc= -0.162 USER MOD Set 1.2: A1158 CYS SG : rot -54:sc= 2.14 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= 0.355 USER MOD Set 1.4: A1194 CYS SG : rot 45:sc= -2.95 USER MOD Set 2.1: A1167 CYS SG : rot -26:sc= -0.114 USER MOD Set 2.2: A1170 CYS SG : rot -92:sc= 1.27 USER MOD Set 2.3: A1173 CYS SG : rot -20:sc= -1.32! USER MOD Set 2.4: A1189 CYS SG : rot 98:sc= -0.277 USER MOD Single : A1157 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.077) USER MOD Single : A1162 GLN :FLIP amide:sc= -2.35! C(o=-2.9!,f=-2.3!) USER MOD Single : A1171 THR OG1 : rot 180:sc= 0 USER MOD Single : A1172 ASN : amide:sc= -5.22 K(o=-5.2,f=-6.5!) USER MOD Single : A1176 LYS NZ :NH3+ 171:sc= 1.13 (180deg=1.12) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN :FLIP amide:sc= -0.215 F(o=-0.98,f=-0.22) USER MOD Single : A1185 LYS NZ :NH3+ -165:sc=-0.00121 (180deg=-0.0807) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1187 GLN : amide:sc= -4.54! C(o=-4.5!,f=-4.8!) 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 -146:sc= -0.477 (180deg=-1.7!) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc=-0.00192 X(o=-0.0019,f=-0.056) USER MOD Single : A1196 ASN :FLIP amide:sc= -0.522 F(o=-1.6,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.970 -0.635 3.116 1.00 0.00 N ATOM 179 CA ARG A1154 11.358 0.560 2.554 1.00 0.00 C ATOM 180 C ARG A1154 12.125 1.816 2.945 1.00 0.00 C ATOM 181 O ARG A1154 12.573 1.963 4.082 1.00 0.00 O ATOM 182 CB ARG A1154 9.900 0.668 3.004 1.00 0.00 C ATOM 183 CG ARG A1154 9.136 -0.646 2.910 1.00 0.00 C ATOM 184 CD ARG A1154 8.503 -1.025 4.239 1.00 0.00 C ATOM 185 NE ARG A1154 7.177 -1.614 4.066 1.00 0.00 N ATOM 186 CZ ARG A1154 6.564 -2.347 4.993 1.00 0.00 C ATOM 187 NH1 ARG A1154 7.153 -2.581 6.160 1.00 0.00 N ATOM 188 NH2 ARG A1154 5.359 -2.846 4.755 1.00 0.00 N ATOM 0 HA ARG A1154 11.392 0.474 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.871 1.023 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.395 1.417 2.395 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.361 -0.562 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.813 -1.438 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A1154 9.149 -1.732 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A1154 8.427 -0.139 4.870 1.00 0.00 H new ATOM 0 HE ARG A1154 6.692 -1.454 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A1154 8.079 -2.198 6.350 1.00 0.00 H new ATOM 0 HH12 ARG A1154 6.679 -3.143 6.867 1.00 0.00 H new ATOM 0 HH21 ARG A1154 4.901 -2.668 3.861 1.00 0.00 H new ATOM 0 HH22 ARG A1154 4.890 -3.408 5.466 1.00 0.00 H new ATOM 202 N CYS A1155 12.278 2.710 1.979 1.00 0.00 N ATOM 203 CA CYS A1155 12.995 3.962 2.181 1.00 0.00 C ATOM 204 C CYS A1155 12.364 4.807 3.285 1.00 0.00 C ATOM 205 O CYS A1155 13.045 5.231 4.219 1.00 0.00 O ATOM 206 CB CYS A1155 13.038 4.751 0.872 1.00 0.00 C ATOM 207 SG CYS A1155 11.415 5.066 0.138 1.00 0.00 S ATOM 0 H CYS A1155 11.910 2.589 1.035 1.00 0.00 H new ATOM 0 HA CYS A1155 14.010 3.719 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.533 5.705 1.053 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.649 4.206 0.153 1.00 0.00 H new ATOM 0 HG CYS A1155 11.092 4.077 -0.642 1.00 0.00 H new ATOM 213 N GLY A1156 11.065 5.049 3.173 1.00 0.00 N ATOM 214 CA GLY A1156 10.369 5.844 4.170 1.00 0.00 C ATOM 215 C GLY A1156 10.226 7.303 3.770 1.00 0.00 C ATOM 216 O GLY A1156 10.047 8.167 4.628 1.00 0.00 O ATOM 0 H GLY A1156 10.479 4.710 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.379 5.420 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.907 5.783 5.116 1.00 0.00 H new ATOM 220 N GLN A1157 10.313 7.585 2.471 1.00 0.00 N ATOM 221 CA GLN A1157 10.198 8.957 1.982 1.00 0.00 C ATOM 222 C GLN A1157 9.686 8.998 0.544 1.00 0.00 C ATOM 223 O GLN A1157 9.931 9.961 -0.183 1.00 0.00 O ATOM 224 CB GLN A1157 11.554 9.664 2.071 1.00 0.00 C ATOM 225 CG GLN A1157 11.749 10.448 3.357 1.00 0.00 C ATOM 226 CD GLN A1157 13.146 10.296 3.925 1.00 0.00 C ATOM 227 OE1 GLN A1157 13.816 11.283 4.233 1.00 0.00 O ATOM 228 NE2 GLN A1157 13.595 9.054 4.067 1.00 0.00 N ATOM 0 H GLN A1157 10.462 6.886 1.743 1.00 0.00 H new ATOM 0 HA GLN A1157 9.476 9.475 2.613 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.347 8.922 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.657 10.341 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.550 11.503 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A1157 11.022 10.113 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A1157 13.006 8.265 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A1157 14.528 8.889 4.444 1.00 0.00 H new ATOM 237 N CYS A1158 8.969 7.955 0.140 1.00 0.00 N ATOM 238 CA CYS A1158 8.415 7.884 -1.209 1.00 0.00 C ATOM 239 C CYS A1158 6.896 8.023 -1.164 1.00 0.00 C ATOM 240 O CYS A1158 6.302 8.082 -0.085 1.00 0.00 O ATOM 241 CB CYS A1158 8.812 6.563 -1.877 1.00 0.00 C ATOM 242 SG CYS A1158 8.114 5.106 -1.079 1.00 0.00 S ATOM 0 H CYS A1158 8.757 7.147 0.726 1.00 0.00 H new ATOM 0 HA CYS A1158 8.821 8.706 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.493 6.583 -2.919 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.899 6.480 -1.878 1.00 0.00 H new ATOM 0 HG CYS A1158 8.413 5.119 0.186 1.00 0.00 H new ATOM 248 N PRO A1159 6.244 8.086 -2.333 1.00 0.00 N ATOM 249 CA PRO A1159 4.787 8.229 -2.420 1.00 0.00 C ATOM 250 C PRO A1159 4.052 7.145 -1.640 1.00 0.00 C ATOM 251 O PRO A1159 2.960 7.375 -1.123 1.00 0.00 O ATOM 252 CB PRO A1159 4.514 8.117 -3.923 1.00 0.00 C ATOM 253 CG PRO A1159 5.788 8.559 -4.555 1.00 0.00 C ATOM 254 CD PRO A1159 6.868 8.027 -3.666 1.00 0.00 C ATOM 0 HA PRO A1159 4.434 9.164 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.261 7.096 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.679 8.749 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.882 8.168 -5.568 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.836 9.646 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.151 7.010 -3.936 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.772 8.634 -3.718 1.00 0.00 H new ATOM 262 N GLY A1160 4.657 5.967 -1.556 1.00 0.00 N ATOM 263 CA GLY A1160 4.046 4.869 -0.827 1.00 0.00 C ATOM 264 C GLY A1160 4.202 5.000 0.676 1.00 0.00 C ATOM 265 O GLY A1160 3.230 4.899 1.426 1.00 0.00 O ATOM 0 H GLY A1160 5.560 5.751 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.986 4.821 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.493 3.930 -1.153 1.00 0.00 H new ATOM 269 N CYS A1161 5.438 5.210 1.110 1.00 0.00 N ATOM 270 CA CYS A1161 5.762 5.340 2.521 1.00 0.00 C ATOM 271 C CYS A1161 5.075 6.543 3.164 1.00 0.00 C ATOM 272 O CYS A1161 4.886 6.579 4.380 1.00 0.00 O ATOM 273 CB CYS A1161 7.278 5.459 2.676 1.00 0.00 C ATOM 274 SG CYS A1161 8.178 3.944 2.273 1.00 0.00 S ATOM 0 H CYS A1161 6.244 5.295 0.491 1.00 0.00 H new ATOM 0 HA CYS A1161 5.396 4.451 3.035 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.637 6.264 2.035 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.507 5.743 3.703 1.00 0.00 H new ATOM 0 HG CYS A1161 8.847 3.546 3.314 1.00 0.00 H new ATOM 279 N GLN A1162 4.722 7.536 2.354 1.00 0.00 N ATOM 280 CA GLN A1162 4.080 8.742 2.871 1.00 0.00 C ATOM 281 C GLN A1162 2.561 8.602 2.977 1.00 0.00 C ATOM 282 O GLN A1162 1.879 9.556 3.351 1.00 0.00 O ATOM 283 CB GLN A1162 4.426 9.946 1.995 1.00 0.00 C ATOM 284 CG GLN A1162 3.770 9.917 0.626 1.00 0.00 C ATOM 285 CD GLN A1162 4.432 10.873 -0.348 1.00 0.00 C ATOM 286 OE1 GLN A1162 5.750 10.759 -0.484 1.00 0.00 O flip ATOM 287 NE2 GLN A1162 3.769 11.701 -0.970 1.00 0.00 N flip ATOM 0 H GLN A1162 4.868 7.531 1.344 1.00 0.00 H new ATOM 0 HA GLN A1162 4.465 8.894 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.126 10.858 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.508 9.992 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.815 8.904 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.715 10.175 0.725 1.00 0.00 H new ATOM 0 HE21 GLN A1162 2.759 11.752 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A1162 4.229 12.336 -1.622 1.00 0.00 H new ATOM 296 N VAL A1163 2.026 7.429 2.647 1.00 0.00 N ATOM 297 CA VAL A1163 0.583 7.220 2.722 1.00 0.00 C ATOM 298 C VAL A1163 0.197 6.372 3.933 1.00 0.00 C ATOM 299 O VAL A1163 0.239 5.144 3.878 1.00 0.00 O ATOM 300 CB VAL A1163 0.025 6.546 1.454 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.492 6.534 1.490 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.511 7.256 0.206 1.00 0.00 C ATOM 0 H VAL A1163 2.560 6.620 2.330 1.00 0.00 H new ATOM 0 HA VAL A1163 0.146 8.214 2.818 1.00 0.00 H new ATOM 0 HB VAL A1163 0.388 5.518 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.874 6.055 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.831 5.981 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.863 7.558 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.104 6.762 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.180 8.294 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.600 7.223 0.170 1.00 0.00 H new ATOM 312 N PRO A1164 -0.198 7.020 5.042 1.00 0.00 N ATOM 313 CA PRO A1164 -0.607 6.324 6.259 1.00 0.00 C ATOM 314 C PRO A1164 -2.069 5.885 6.211 1.00 0.00 C ATOM 315 O PRO A1164 -2.579 5.284 7.157 1.00 0.00 O ATOM 316 CB PRO A1164 -0.410 7.393 7.328 1.00 0.00 C ATOM 317 CG PRO A1164 -0.727 8.669 6.628 1.00 0.00 C ATOM 318 CD PRO A1164 -0.289 8.484 5.195 1.00 0.00 C ATOM 0 HA PRO A1164 -0.043 5.407 6.428 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -1.070 7.231 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.611 7.391 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.793 8.889 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A1164 -0.204 9.507 7.090 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -1.008 8.915 4.498 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.669 8.967 5.004 1.00 0.00 H new ATOM 326 N GLU A1165 -2.743 6.197 5.105 1.00 0.00 N ATOM 327 CA GLU A1165 -4.148 5.845 4.936 1.00 0.00 C ATOM 328 C GLU A1165 -4.398 5.185 3.582 1.00 0.00 C ATOM 329 O GLU A1165 -3.472 4.968 2.802 1.00 0.00 O ATOM 330 CB GLU A1165 -5.016 7.096 5.064 1.00 0.00 C ATOM 331 CG GLU A1165 -4.655 8.185 4.065 1.00 0.00 C ATOM 332 CD GLU A1165 -4.661 9.569 4.683 1.00 0.00 C ATOM 333 OE1 GLU A1165 -5.327 9.751 5.724 1.00 0.00 O ATOM 334 OE2 GLU A1165 -3.998 10.470 4.127 1.00 0.00 O ATOM 0 H GLU A1165 -2.336 6.694 4.313 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.411 5.132 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -6.061 6.820 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.921 7.494 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.668 7.980 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -5.360 8.159 3.234 1.00 0.00 H new ATOM 341 N ASP A1166 -5.665 4.879 3.313 1.00 0.00 N ATOM 342 CA ASP A1166 -6.062 4.254 2.057 1.00 0.00 C ATOM 343 C ASP A1166 -6.583 5.309 1.083 1.00 0.00 C ATOM 344 O ASP A1166 -7.539 6.019 1.393 1.00 0.00 O ATOM 345 CB ASP A1166 -7.141 3.206 2.325 1.00 0.00 C ATOM 346 CG ASP A1166 -6.557 1.865 2.723 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.633 1.391 2.030 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.024 1.290 3.729 1.00 0.00 O ATOM 0 H ASP A1166 -6.438 5.056 3.954 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.194 3.769 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.800 3.562 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.753 3.082 1.432 1.00 0.00 H new ATOM 353 N CYS A1167 -5.960 5.422 -0.096 1.00 0.00 N ATOM 354 CA CYS A1167 -6.396 6.405 -1.077 1.00 0.00 C ATOM 355 C CYS A1167 -7.899 6.291 -1.304 1.00 0.00 C ATOM 356 O CYS A1167 -8.610 7.296 -1.324 1.00 0.00 O ATOM 357 CB CYS A1167 -5.627 6.241 -2.388 1.00 0.00 C ATOM 358 SG CYS A1167 -5.923 4.680 -3.242 1.00 0.00 S ATOM 0 H CYS A1167 -5.165 4.852 -0.385 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.183 7.402 -0.690 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.893 7.061 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.560 6.331 -2.182 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.279 3.774 -2.380 1.00 0.00 H new ATOM 364 N GLY A1168 -8.386 5.058 -1.426 1.00 0.00 N ATOM 365 CA GLY A1168 -9.808 4.851 -1.591 1.00 0.00 C ATOM 366 C GLY A1168 -10.267 4.730 -3.020 1.00 0.00 C ATOM 367 O GLY A1168 -11.440 4.965 -3.311 1.00 0.00 O ATOM 0 H GLY A1168 -7.823 4.207 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.094 3.946 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.338 5.680 -1.123 1.00 0.00 H new ATOM 371 N VAL A1169 -9.362 4.409 -3.925 1.00 0.00 N ATOM 372 CA VAL A1169 -9.736 4.320 -5.321 1.00 0.00 C ATOM 373 C VAL A1169 -8.992 3.223 -6.085 1.00 0.00 C ATOM 374 O VAL A1169 -9.284 2.977 -7.256 1.00 0.00 O ATOM 375 CB VAL A1169 -9.521 5.683 -5.973 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.358 6.718 -5.231 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.047 6.049 -5.929 1.00 0.00 C ATOM 0 H VAL A1169 -8.382 4.209 -3.724 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.788 4.038 -5.366 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.831 5.653 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.214 7.697 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.411 6.443 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.049 6.755 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.900 7.023 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.713 6.089 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.469 5.298 -6.467 1.00 0.00 H new ATOM 387 N CYS A1170 -8.067 2.534 -5.422 1.00 0.00 N ATOM 388 CA CYS A1170 -7.348 1.440 -6.063 1.00 0.00 C ATOM 389 C CYS A1170 -8.040 0.129 -5.711 1.00 0.00 C ATOM 390 O CYS A1170 -8.779 0.065 -4.740 1.00 0.00 O ATOM 391 CB CYS A1170 -5.876 1.417 -5.640 1.00 0.00 C ATOM 392 SG CYS A1170 -5.609 1.226 -3.865 1.00 0.00 S ATOM 0 H CYS A1170 -7.801 2.711 -4.453 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.363 1.583 -7.144 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.375 0.601 -6.160 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.402 2.342 -5.968 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.515 2.399 -3.312 1.00 0.00 H new ATOM 398 N THR A1171 -7.832 -0.906 -6.508 1.00 0.00 N ATOM 399 CA THR A1171 -8.494 -2.197 -6.260 1.00 0.00 C ATOM 400 C THR A1171 -8.405 -2.620 -4.789 1.00 0.00 C ATOM 401 O THR A1171 -9.376 -3.118 -4.214 1.00 0.00 O ATOM 402 CB THR A1171 -7.913 -3.308 -7.157 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.320 -4.335 -6.379 1.00 0.00 O ATOM 404 CG2 THR A1171 -6.867 -2.827 -8.138 1.00 0.00 C ATOM 0 H THR A1171 -7.220 -0.890 -7.324 1.00 0.00 H new ATOM 0 HA THR A1171 -9.546 -2.055 -6.509 1.00 0.00 H new ATOM 0 HB THR A1171 -8.770 -3.676 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A1171 -6.961 -5.028 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.509 -3.669 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.305 -2.078 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.032 -2.386 -7.593 1.00 0.00 H new ATOM 412 N ASN A1172 -7.237 -2.431 -4.195 1.00 0.00 N ATOM 413 CA ASN A1172 -7.005 -2.810 -2.805 1.00 0.00 C ATOM 414 C ASN A1172 -7.854 -1.995 -1.832 1.00 0.00 C ATOM 415 O ASN A1172 -8.512 -2.549 -0.951 1.00 0.00 O ATOM 416 CB ASN A1172 -5.530 -2.633 -2.467 1.00 0.00 C ATOM 417 CG ASN A1172 -4.625 -3.362 -3.441 1.00 0.00 C ATOM 418 OD1 ASN A1172 -4.821 -4.542 -3.727 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.624 -2.658 -3.958 1.00 0.00 N ATOM 0 H ASN A1172 -6.428 -2.014 -4.656 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.296 -3.855 -2.698 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.284 -1.571 -2.471 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.344 -3.000 -1.458 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -2.982 -3.094 -4.620 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.498 -1.681 -3.693 1.00 0.00 H new ATOM 426 N CYS A1173 -7.829 -0.682 -1.995 1.00 0.00 N ATOM 427 CA CYS A1173 -8.591 0.213 -1.134 1.00 0.00 C ATOM 428 C CYS A1173 -10.070 0.020 -1.378 1.00 0.00 C ATOM 429 O CYS A1173 -10.852 -0.149 -0.453 1.00 0.00 O ATOM 430 CB CYS A1173 -8.194 1.661 -1.396 1.00 0.00 C ATOM 431 SG CYS A1173 -6.633 2.128 -0.619 1.00 0.00 S ATOM 0 H CYS A1173 -7.287 -0.209 -2.718 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.371 -0.021 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.118 1.820 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -8.984 2.318 -1.032 1.00 0.00 H new ATOM 0 HG CYS A1173 -6.361 1.296 0.342 1.00 0.00 H new ATOM 436 N LEU A1174 -10.435 0.018 -2.640 1.00 0.00 N ATOM 437 CA LEU A1174 -11.809 -0.186 -3.037 1.00 0.00 C ATOM 438 C LEU A1174 -12.293 -1.533 -2.536 1.00 0.00 C ATOM 439 O LEU A1174 -13.483 -1.731 -2.288 1.00 0.00 O ATOM 440 CB LEU A1174 -11.904 -0.075 -4.548 1.00 0.00 C ATOM 441 CG LEU A1174 -11.391 1.255 -5.074 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.403 1.277 -6.592 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.220 2.384 -4.483 1.00 0.00 C ATOM 0 H LEU A1174 -9.790 0.157 -3.418 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.452 0.575 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.334 -0.885 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -12.942 -0.205 -4.853 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.355 1.392 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.032 2.239 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.764 0.480 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.422 1.128 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.854 3.339 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.264 2.257 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.137 2.366 -3.396 1.00 0.00 H new ATOM 455 N ASP A1175 -11.348 -2.445 -2.355 1.00 0.00 N ATOM 456 CA ASP A1175 -11.653 -3.763 -1.842 1.00 0.00 C ATOM 457 C ASP A1175 -12.108 -3.673 -0.383 1.00 0.00 C ATOM 458 O ASP A1175 -12.714 -4.606 0.139 1.00 0.00 O ATOM 459 CB ASP A1175 -10.419 -4.663 -1.963 1.00 0.00 C ATOM 460 CG ASP A1175 -10.567 -5.700 -3.059 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.694 -6.200 -3.255 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.555 -6.011 -3.722 1.00 0.00 O ATOM 0 H ASP A1175 -10.361 -2.290 -2.558 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.464 -4.194 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.542 -4.048 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.244 -5.166 -1.012 1.00 0.00 H new ATOM 467 N LYS A1176 -11.811 -2.540 0.273 1.00 0.00 N ATOM 468 CA LYS A1176 -12.190 -2.333 1.670 1.00 0.00 C ATOM 469 C LYS A1176 -13.687 -2.078 1.812 1.00 0.00 C ATOM 470 O LYS A1176 -14.359 -1.723 0.845 1.00 0.00 O ATOM 471 CB LYS A1176 -11.425 -1.144 2.246 1.00 0.00 C ATOM 472 CG LYS A1176 -10.031 -1.486 2.729 1.00 0.00 C ATOM 473 CD LYS A1176 -9.058 -0.380 2.378 1.00 0.00 C ATOM 474 CE LYS A1176 -7.692 -0.933 2.037 1.00 0.00 C ATOM 475 NZ LYS A1176 -6.897 -1.253 3.256 1.00 0.00 N ATOM 0 H LYS A1176 -11.310 -1.757 -0.146 1.00 0.00 H new ATOM 0 HA LYS A1176 -11.940 -3.242 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.355 -0.367 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.994 -0.726 3.076 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -10.042 -1.639 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.704 -2.422 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -9.443 0.190 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -8.973 0.311 3.216 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.806 -1.833 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -7.149 -0.208 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.035 -1.767 2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -6.635 -0.371 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.465 -1.844 3.896 1.00 0.00 H new ATOM 489 N PRO A1177 -14.225 -2.242 3.034 1.00 0.00 N ATOM 490 CA PRO A1177 -15.647 -2.014 3.309 1.00 0.00 C ATOM 491 C PRO A1177 -16.036 -0.543 3.190 1.00 0.00 C ATOM 492 O PRO A1177 -17.141 -0.214 2.759 1.00 0.00 O ATOM 493 CB PRO A1177 -15.815 -2.494 4.752 1.00 0.00 C ATOM 494 CG PRO A1177 -14.461 -2.364 5.356 1.00 0.00 C ATOM 495 CD PRO A1177 -13.485 -2.643 4.247 1.00 0.00 C ATOM 0 HA PRO A1177 -16.285 -2.535 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.547 -1.889 5.287 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.167 -3.525 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.311 -1.365 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.331 -3.069 6.177 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.566 -2.069 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.202 -3.695 4.216 1.00 0.00 H new ATOM 503 N LYS A1178 -15.123 0.336 3.591 1.00 0.00 N ATOM 504 CA LYS A1178 -15.367 1.774 3.548 1.00 0.00 C ATOM 505 C LYS A1178 -15.258 2.331 2.129 1.00 0.00 C ATOM 506 O LYS A1178 -15.605 3.487 1.885 1.00 0.00 O ATOM 507 CB LYS A1178 -14.382 2.502 4.460 1.00 0.00 C ATOM 508 CG LYS A1178 -12.931 2.342 4.037 1.00 0.00 C ATOM 509 CD LYS A1178 -11.979 2.755 5.148 1.00 0.00 C ATOM 510 CE LYS A1178 -11.229 4.030 4.796 1.00 0.00 C ATOM 511 NZ LYS A1178 -10.511 4.595 5.971 1.00 0.00 N ATOM 0 H LYS A1178 -14.204 0.077 3.951 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.386 1.940 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.632 3.563 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.498 2.130 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.743 1.304 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.741 2.946 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -12.539 2.904 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -11.266 1.952 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -10.514 3.822 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -11.931 4.769 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -10.013 5.463 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -11.195 4.817 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -9.823 3.900 6.324 1.00 0.00 H new ATOM 525 N PHE A1179 -14.776 1.515 1.195 1.00 0.00 N ATOM 526 CA PHE A1179 -14.631 1.956 -0.189 1.00 0.00 C ATOM 527 C PHE A1179 -15.563 1.184 -1.119 1.00 0.00 C ATOM 528 O PHE A1179 -15.319 1.095 -2.322 1.00 0.00 O ATOM 529 CB PHE A1179 -13.181 1.801 -0.648 1.00 0.00 C ATOM 530 CG PHE A1179 -12.252 2.782 -0.001 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.479 4.140 -0.130 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.164 2.355 0.752 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.654 5.054 0.479 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.325 3.268 1.358 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.571 4.622 1.225 1.00 0.00 C ATOM 0 H PHE A1179 -14.482 0.554 1.369 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.907 3.009 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.842 0.789 -0.427 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.134 1.924 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.316 4.487 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.973 1.298 0.864 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.851 6.111 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.478 2.926 1.935 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.920 5.340 1.702 1.00 0.00 H new ATOM 545 N GLY A1180 -16.638 0.636 -0.557 1.00 0.00 N ATOM 546 CA GLY A1180 -17.594 -0.109 -1.356 1.00 0.00 C ATOM 547 C GLY A1180 -17.353 -1.608 -1.331 1.00 0.00 C ATOM 548 O GLY A1180 -18.237 -2.388 -1.690 1.00 0.00 O ATOM 0 H GLY A1180 -16.863 0.695 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.601 0.097 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.549 0.243 -2.387 1.00 0.00 H new ATOM 552 N GLY A1181 -16.161 -2.017 -0.911 1.00 0.00 N ATOM 553 CA GLY A1181 -15.840 -3.432 -0.855 1.00 0.00 C ATOM 554 C GLY A1181 -16.114 -4.038 0.508 1.00 0.00 C ATOM 555 O GLY A1181 -17.155 -3.779 1.111 1.00 0.00 O ATOM 0 H GLY A1181 -15.411 -1.395 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -16.422 -3.963 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.789 -3.573 -1.107 1.00 0.00 H new ATOM 559 N ARG A1182 -15.173 -4.847 0.992 1.00 0.00 N ATOM 560 CA ARG A1182 -15.305 -5.495 2.292 1.00 0.00 C ATOM 561 C ARG A1182 -13.938 -5.640 2.952 1.00 0.00 C ATOM 562 O ARG A1182 -12.918 -5.262 2.379 1.00 0.00 O ATOM 563 CB ARG A1182 -15.953 -6.873 2.143 1.00 0.00 C ATOM 564 CG ARG A1182 -17.274 -6.853 1.390 1.00 0.00 C ATOM 565 CD ARG A1182 -18.300 -7.769 2.039 1.00 0.00 C ATOM 566 NE ARG A1182 -19.120 -7.064 3.020 1.00 0.00 N ATOM 567 CZ ARG A1182 -20.245 -7.553 3.537 1.00 0.00 C ATOM 568 NH1 ARG A1182 -20.686 -8.751 3.171 1.00 0.00 N ATOM 569 NH2 ARG A1182 -20.931 -6.844 4.422 1.00 0.00 N ATOM 0 H ARG A1182 -14.308 -5.069 0.499 1.00 0.00 H new ATOM 0 HA ARG A1182 -15.942 -4.872 2.920 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.260 -7.536 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.117 -7.296 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -17.661 -5.835 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.110 -7.162 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.943 -8.196 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -17.788 -8.600 2.524 1.00 0.00 H new ATOM 0 HE ARG A1182 -18.812 -6.141 3.328 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -20.162 -9.301 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -21.549 -9.121 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -20.597 -5.923 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -21.793 -7.219 4.818 1.00 0.00 H new ATOM 583 N ASN A1183 -13.917 -6.193 4.155 1.00 0.00 N ATOM 584 CA ASN A1183 -12.667 -6.389 4.876 1.00 0.00 C ATOM 585 C ASN A1183 -12.175 -7.825 4.721 1.00 0.00 C ATOM 586 O ASN A1183 -11.403 -8.324 5.542 1.00 0.00 O ATOM 587 CB ASN A1183 -12.855 -6.050 6.354 1.00 0.00 C ATOM 588 CG ASN A1183 -11.601 -5.471 6.980 1.00 0.00 C ATOM 589 OD1 ASN A1183 -11.060 -4.426 6.365 1.00 0.00 O flip ATOM 590 ND2 ASN A1183 -11.124 -5.958 8.005 1.00 0.00 N flip ATOM 0 H ASN A1183 -14.748 -6.513 4.652 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.915 -5.722 4.453 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.672 -5.337 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -13.146 -6.950 6.896 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -11.573 -6.762 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -10.280 -5.558 8.415 1.00 0.00 H new ATOM 597 N ILE A1184 -12.636 -8.486 3.662 1.00 0.00 N ATOM 598 CA ILE A1184 -12.258 -9.866 3.385 1.00 0.00 C ATOM 599 C ILE A1184 -10.974 -9.934 2.565 1.00 0.00 C ATOM 600 O ILE A1184 -10.079 -10.727 2.852 1.00 0.00 O ATOM 601 CB ILE A1184 -13.397 -10.617 2.650 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.312 -10.420 1.130 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.745 -10.136 3.161 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.452 -11.063 0.368 1.00 0.00 C ATOM 0 H ILE A1184 -13.276 -8.083 2.978 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.080 -10.353 4.344 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.286 -11.682 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.297 -9.352 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.369 -10.832 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.542 -10.667 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.818 -10.329 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.843 -9.066 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.324 -10.882 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.455 -12.137 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.398 -10.634 0.698 1.00 0.00 H new ATOM 616 N LYS A1185 -10.899 -9.094 1.538 1.00 0.00 N ATOM 617 CA LYS A1185 -9.735 -9.053 0.665 1.00 0.00 C ATOM 618 C LYS A1185 -8.628 -8.208 1.278 1.00 0.00 C ATOM 619 O LYS A1185 -7.462 -8.601 1.267 1.00 0.00 O ATOM 620 CB LYS A1185 -10.122 -8.489 -0.704 1.00 0.00 C ATOM 621 CG LYS A1185 -9.582 -9.298 -1.871 1.00 0.00 C ATOM 622 CD LYS A1185 -8.064 -9.256 -1.922 1.00 0.00 C ATOM 623 CE LYS A1185 -7.477 -10.627 -2.216 1.00 0.00 C ATOM 624 NZ LYS A1185 -7.641 -11.560 -1.068 1.00 0.00 N ATOM 0 H LYS A1185 -11.634 -8.431 1.291 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.366 -10.071 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -11.209 -8.445 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.756 -7.465 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -9.916 -10.332 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -9.989 -8.909 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -7.744 -8.550 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -7.677 -8.890 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -7.961 -11.048 -3.097 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -6.418 -10.525 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -7.019 -12.384 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -7.388 -11.072 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -8.630 -11.877 -1.017 1.00 0.00 H new ATOM 638 N LYS A1186 -9.010 -7.045 1.812 1.00 0.00 N ATOM 639 CA LYS A1186 -8.058 -6.115 2.438 1.00 0.00 C ATOM 640 C LYS A1186 -6.646 -6.289 1.874 1.00 0.00 C ATOM 641 O LYS A1186 -5.849 -7.062 2.406 1.00 0.00 O ATOM 642 CB LYS A1186 -8.040 -6.320 3.954 1.00 0.00 C ATOM 643 CG LYS A1186 -7.982 -5.021 4.742 1.00 0.00 C ATOM 644 CD LYS A1186 -6.907 -5.065 5.817 1.00 0.00 C ATOM 645 CE LYS A1186 -6.570 -3.673 6.327 1.00 0.00 C ATOM 646 NZ LYS A1186 -6.192 -3.685 7.767 1.00 0.00 N ATOM 0 H LYS A1186 -9.977 -6.721 1.825 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.389 -5.101 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -8.931 -6.874 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.180 -6.935 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -7.784 -4.192 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.951 -4.831 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -7.246 -5.685 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.009 -5.534 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -5.750 -3.260 5.740 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -7.428 -3.016 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -5.970 -2.717 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -6.984 -4.055 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -5.358 -4.291 7.902 1.00 0.00 H new ATOM 660 N GLN A1187 -6.346 -5.582 0.786 1.00 0.00 N ATOM 661 CA GLN A1187 -5.036 -5.683 0.153 1.00 0.00 C ATOM 662 C GLN A1187 -4.185 -4.449 0.431 1.00 0.00 C ATOM 663 O GLN A1187 -4.682 -3.434 0.917 1.00 0.00 O ATOM 664 CB GLN A1187 -5.195 -5.867 -1.357 1.00 0.00 C ATOM 665 CG GLN A1187 -5.980 -7.111 -1.740 1.00 0.00 C ATOM 666 CD GLN A1187 -5.250 -8.393 -1.388 1.00 0.00 C ATOM 667 OE1 GLN A1187 -4.678 -9.053 -2.256 1.00 0.00 O ATOM 668 NE2 GLN A1187 -5.265 -8.751 -0.110 1.00 0.00 N ATOM 0 H GLN A1187 -6.990 -4.937 0.328 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.529 -6.550 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -5.695 -4.991 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -4.207 -5.916 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.946 -7.097 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.181 -7.094 -2.811 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.752 -8.174 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -4.790 -9.603 0.186 1.00 0.00 H new ATOM 677 N CYS A1188 -2.898 -4.546 0.109 1.00 0.00 N ATOM 678 CA CYS A1188 -1.972 -3.439 0.313 1.00 0.00 C ATOM 679 C CYS A1188 -2.254 -2.319 -0.682 1.00 0.00 C ATOM 680 O CYS A1188 -2.107 -2.497 -1.890 1.00 0.00 O ATOM 681 CB CYS A1188 -0.528 -3.921 0.163 1.00 0.00 C ATOM 682 SG CYS A1188 0.234 -4.462 1.711 1.00 0.00 S ATOM 0 H CYS A1188 -2.474 -5.381 -0.295 1.00 0.00 H new ATOM 0 HA CYS A1188 -2.112 -3.054 1.323 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.504 -4.746 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.070 -3.115 -0.262 1.00 0.00 H new ATOM 0 HG CYS A1188 1.452 -4.853 1.481 1.00 0.00 H new ATOM 688 N CYS A1189 -2.667 -1.167 -0.165 1.00 0.00 N ATOM 689 CA CYS A1189 -2.982 -0.015 -1.004 1.00 0.00 C ATOM 690 C CYS A1189 -1.888 0.239 -2.043 1.00 0.00 C ATOM 691 O CYS A1189 -0.705 0.331 -1.714 1.00 0.00 O ATOM 692 CB CYS A1189 -3.186 1.227 -0.135 1.00 0.00 C ATOM 693 SG CYS A1189 -3.228 2.787 -1.051 1.00 0.00 S ATOM 0 H CYS A1189 -2.792 -1.005 0.834 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.905 -0.233 -1.541 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.120 1.119 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.384 1.275 0.602 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.463 3.143 -1.246 1.00 0.00 H new ATOM 698 N LYS A1190 -2.308 0.353 -3.297 1.00 0.00 N ATOM 699 CA LYS A1190 -1.394 0.597 -4.406 1.00 0.00 C ATOM 700 C LYS A1190 -0.573 1.867 -4.187 1.00 0.00 C ATOM 701 O LYS A1190 0.616 1.907 -4.504 1.00 0.00 O ATOM 702 CB LYS A1190 -2.184 0.704 -5.712 1.00 0.00 C ATOM 703 CG LYS A1190 -3.002 -0.536 -6.030 1.00 0.00 C ATOM 704 CD LYS A1190 -3.366 -0.596 -7.505 1.00 0.00 C ATOM 705 CE LYS A1190 -3.657 -2.019 -7.950 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.453 -2.683 -8.520 1.00 0.00 N ATOM 0 H LYS A1190 -3.287 0.279 -3.573 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.701 -0.242 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -2.851 1.564 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.491 0.892 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.437 -1.427 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -3.911 -0.538 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.239 0.030 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.548 -0.188 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.022 -2.597 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.453 -2.010 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -2.696 -3.652 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.119 -2.147 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -1.702 -2.715 -7.802 1.00 0.00 H new ATOM 720 N MET A1191 -1.210 2.906 -3.650 1.00 0.00 N ATOM 721 CA MET A1191 -0.529 4.171 -3.401 1.00 0.00 C ATOM 722 C MET A1191 0.334 4.099 -2.145 1.00 0.00 C ATOM 723 O MET A1191 1.185 4.957 -1.926 1.00 0.00 O ATOM 724 CB MET A1191 -1.548 5.302 -3.262 1.00 0.00 C ATOM 725 CG MET A1191 -2.555 5.358 -4.398 1.00 0.00 C ATOM 726 SD MET A1191 -2.063 6.496 -5.707 1.00 0.00 S ATOM 727 CE MET A1191 -1.924 8.027 -4.788 1.00 0.00 C ATOM 0 H MET A1191 -2.194 2.895 -3.380 1.00 0.00 H new ATOM 0 HA MET A1191 0.121 4.371 -4.252 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.083 5.184 -2.319 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.018 6.253 -3.211 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.679 4.360 -4.818 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.525 5.661 -4.004 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.224 8.861 -5.423 1.00 0.00 H new ATOM 0 HE2 MET A1191 -2.572 7.986 -3.912 1.00 0.00 H new ATOM 0 HE3 MET A1191 -0.891 8.167 -4.469 1.00 0.00 H new ATOM 737 N ARG A1192 0.105 3.080 -1.320 1.00 0.00 N ATOM 738 CA ARG A1192 0.859 2.909 -0.084 1.00 0.00 C ATOM 739 C ARG A1192 2.112 2.078 -0.311 1.00 0.00 C ATOM 740 O ARG A1192 3.137 2.285 0.340 1.00 0.00 O ATOM 741 CB ARG A1192 -0.016 2.228 0.960 1.00 0.00 C ATOM 742 CG ARG A1192 -0.999 3.171 1.625 1.00 0.00 C ATOM 743 CD ARG A1192 -1.939 2.438 2.566 1.00 0.00 C ATOM 744 NE ARG A1192 -1.779 2.871 3.950 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.424 2.319 4.975 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.282 1.326 4.772 1.00 0.00 N ATOM 747 NH2 ARG A1192 -2.214 2.760 6.206 1.00 0.00 N ATOM 0 H ARG A1192 -0.598 2.360 -1.487 1.00 0.00 H new ATOM 0 HA ARG A1192 1.160 3.896 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.566 1.414 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.621 1.781 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.452 3.934 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.580 3.688 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.969 2.605 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.755 1.366 2.499 1.00 0.00 H new ATOM 0 HE ARG A1192 -1.137 3.640 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.450 0.982 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.773 0.907 5.562 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.557 3.523 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.709 2.336 6.991 1.00 0.00 H new ATOM 761 N LYS A1193 2.017 1.132 -1.232 1.00 0.00 N ATOM 762 CA LYS A1193 3.140 0.252 -1.546 1.00 0.00 C ATOM 763 C LYS A1193 4.382 1.067 -1.891 1.00 0.00 C ATOM 764 O LYS A1193 4.378 1.861 -2.831 1.00 0.00 O ATOM 765 CB LYS A1193 2.780 -0.672 -2.711 1.00 0.00 C ATOM 766 CG LYS A1193 2.163 -1.991 -2.273 1.00 0.00 C ATOM 767 CD LYS A1193 1.003 -2.391 -3.170 1.00 0.00 C ATOM 768 CE LYS A1193 1.485 -3.133 -4.406 1.00 0.00 C ATOM 769 NZ LYS A1193 0.469 -4.103 -4.902 1.00 0.00 N ATOM 0 H LYS A1193 1.174 0.951 -1.778 1.00 0.00 H new ATOM 0 HA LYS A1193 3.356 -0.354 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A1193 2.083 -0.156 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.679 -0.876 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.923 -2.772 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A1193 1.815 -1.907 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A1193 0.311 -3.022 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A1193 0.451 -1.501 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A1193 1.717 -2.415 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A1193 2.410 -3.662 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 0.835 -4.589 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 0.266 -4.803 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 -0.405 -3.595 -5.147 1.00 0.00 H new ATOM 783 N CYS A1194 5.439 0.871 -1.109 1.00 0.00 N ATOM 784 CA CYS A1194 6.689 1.592 -1.311 1.00 0.00 C ATOM 785 C CYS A1194 7.224 1.400 -2.729 1.00 0.00 C ATOM 786 O CYS A1194 7.041 0.351 -3.345 1.00 0.00 O ATOM 787 CB CYS A1194 7.731 1.144 -0.287 1.00 0.00 C ATOM 788 SG CYS A1194 9.372 1.861 -0.539 1.00 0.00 S ATOM 0 H CYS A1194 5.454 0.216 -0.327 1.00 0.00 H new ATOM 0 HA CYS A1194 6.486 2.654 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.381 1.408 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.812 0.058 -0.319 1.00 0.00 H new ATOM 0 HG CYS A1194 9.257 3.134 -0.779 1.00 0.00 H new ATOM 793 N GLN A1195 7.877 2.441 -3.232 1.00 0.00 N ATOM 794 CA GLN A1195 8.445 2.442 -4.569 1.00 0.00 C ATOM 795 C GLN A1195 9.954 2.216 -4.539 1.00 0.00 C ATOM 796 O GLN A1195 10.526 1.669 -5.482 1.00 0.00 O ATOM 797 CB GLN A1195 8.143 3.783 -5.233 1.00 0.00 C ATOM 798 CG GLN A1195 6.834 3.796 -5.998 1.00 0.00 C ATOM 799 CD GLN A1195 6.710 4.990 -6.925 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.574 5.227 -7.769 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.632 5.748 -6.771 1.00 0.00 N ATOM 0 H GLN A1195 8.026 3.310 -2.720 1.00 0.00 H new ATOM 0 HA GLN A1195 7.997 1.625 -5.135 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.116 4.560 -4.469 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.956 4.034 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.749 2.879 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A1195 6.005 3.802 -5.291 1.00 0.00 H new ATOM 0 HE21 GLN A1195 4.941 5.514 -6.058 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.494 6.565 -7.366 1.00 0.00 H new ATOM 810 N ASN A1196 10.596 2.656 -3.462 1.00 0.00 N ATOM 811 CA ASN A1196 12.039 2.517 -3.326 1.00 0.00 C ATOM 812 C ASN A1196 12.413 1.918 -1.978 1.00 0.00 C ATOM 813 O ASN A1196 12.148 2.500 -0.927 1.00 0.00 O ATOM 814 CB ASN A1196 12.714 3.883 -3.511 1.00 0.00 C ATOM 815 CG ASN A1196 14.156 3.899 -3.040 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.422 4.668 -1.990 1.00 0.00 O flip ATOM 817 ND2 ASN A1196 15.017 3.230 -3.610 1.00 0.00 N flip ATOM 0 H ASN A1196 10.139 3.111 -2.672 1.00 0.00 H new ATOM 0 HA ASN A1196 12.391 1.835 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.678 4.160 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.150 4.638 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN A1196 14.766 2.654 -4.413 1.00 0.00 H new ATOM 0 HD22 ASN A1196 15.982 3.252 -3.279 1.00 0.00 H new ATOM 824 N LEU A1197 13.042 0.755 -2.020 1.00 0.00 N ATOM 825 CA LEU A1197 13.466 0.073 -0.808 1.00 0.00 C ATOM 826 C LEU A1197 14.913 -0.391 -0.940 1.00 0.00 C ATOM 827 O LEU A1197 15.418 -0.567 -2.048 1.00 0.00 O ATOM 828 CB LEU A1197 12.562 -1.130 -0.530 1.00 0.00 C ATOM 829 CG LEU A1197 11.105 -0.986 -0.982 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.784 -1.982 -2.077 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.156 -1.189 0.184 1.00 0.00 C ATOM 0 H LEU A1197 13.271 0.262 -2.883 1.00 0.00 H new ATOM 0 HA LEU A1197 13.391 0.773 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.990 -2.004 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.573 -1.329 0.542 1.00 0.00 H new ATOM 0 HG LEU A1197 10.976 0.024 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.745 -1.863 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.437 -1.806 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A1197 10.939 -2.995 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.128 -1.082 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.298 -2.187 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.360 -0.444 0.953 1.00 0.00 H new