USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=17 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 -82:sc= -0.103 USER MOD Set 1.2: A1158 CYS SG : rot -54:sc= 2.1 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= 0.31 USER MOD Set 1.4: A1194 CYS SG : rot 43:sc= -2.6 USER MOD Set 2.1: A1167 CYS SG : rot -28:sc= -0.0398 USER MOD Set 2.2: A1170 CYS SG : rot -91:sc= 1.87 USER MOD Set 2.3: A1173 CYS SG : rot 94:sc= -1.36! USER MOD Set 2.4: A1189 CYS SG : rot 177:sc= -0.765 USER MOD Single : A1157 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A1162 GLN :FLIP amide:sc= -2.37! C(o=-2.9!,f=-2.4!) USER MOD Single : A1171 THR OG1 : rot 180:sc= 0 USER MOD Single : A1172 ASN :FLIP amide:sc= -4.16! F(o=-6.2,f=-4.2!) USER MOD Single : A1176 LYS NZ :NH3+ 155:sc= -1.35 (180deg=-1.9) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN :FLIP amide:sc= -0.111 F(o=-1.5,f=-0.11) 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= 1.15 K(o=1.2,f=-0.32) 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 -143:sc=-0.00136 (180deg=-0.159) USER MOD Single : A1193 LYS NZ :NH3+ 157:sc= -0.0662 (180deg=-0.369) USER MOD Single : A1195 GLN :FLIP amide:sc= -0.0184 F(o=-0.73,f=-0.018) USER MOD Single : A1196 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.828 -0.580 3.013 1.00 0.00 N ATOM 179 CA ARG A1154 11.249 0.609 2.407 1.00 0.00 C ATOM 180 C ARG A1154 12.033 1.858 2.788 1.00 0.00 C ATOM 181 O ARG A1154 12.477 2.011 3.926 1.00 0.00 O ATOM 182 CB ARG A1154 9.784 0.757 2.826 1.00 0.00 C ATOM 183 CG ARG A1154 9.001 -0.549 2.778 1.00 0.00 C ATOM 184 CD ARG A1154 8.357 -0.873 4.118 1.00 0.00 C ATOM 185 NE ARG A1154 8.611 -2.252 4.528 1.00 0.00 N ATOM 186 CZ ARG A1154 8.068 -3.314 3.937 1.00 0.00 C ATOM 187 NH1 ARG A1154 7.237 -3.160 2.913 1.00 0.00 N ATOM 188 NH2 ARG A1154 8.356 -4.534 4.371 1.00 0.00 N ATOM 0 HA ARG A1154 11.300 0.495 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.743 1.158 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.300 1.485 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.229 -0.482 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.668 -1.362 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A1154 8.740 -0.192 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A1154 7.282 -0.706 4.053 1.00 0.00 H new ATOM 0 HE ARG A1154 9.242 -2.410 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A1154 7.012 -2.224 2.575 1.00 0.00 H new ATOM 0 HH12 ARG A1154 6.824 -3.977 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A1154 8.993 -4.658 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A1154 7.940 -5.348 3.918 1.00 0.00 H new ATOM 202 N CYS A1155 12.199 2.741 1.816 1.00 0.00 N ATOM 203 CA CYS A1155 12.933 3.984 2.010 1.00 0.00 C ATOM 204 C CYS A1155 12.314 4.840 3.112 1.00 0.00 C ATOM 205 O CYS A1155 13.001 5.266 4.040 1.00 0.00 O ATOM 206 CB CYS A1155 12.979 4.769 0.700 1.00 0.00 C ATOM 207 SG CYS A1155 11.359 5.051 -0.054 1.00 0.00 S ATOM 0 H CYS A1155 11.831 2.618 0.873 1.00 0.00 H new ATOM 0 HA CYS A1155 13.947 3.729 2.320 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.454 5.733 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.609 4.233 -0.010 1.00 0.00 H new ATOM 0 HG CYS A1155 11.000 3.994 -0.720 1.00 0.00 H new ATOM 213 N GLY A1156 11.016 5.092 3.001 1.00 0.00 N ATOM 214 CA GLY A1156 10.330 5.900 3.991 1.00 0.00 C ATOM 215 C GLY A1156 10.199 7.355 3.576 1.00 0.00 C ATOM 216 O GLY A1156 10.027 8.231 4.424 1.00 0.00 O ATOM 0 H GLY A1156 10.425 4.751 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.337 5.486 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.870 5.844 4.936 1.00 0.00 H new ATOM 220 N GLN A1157 10.287 7.622 2.273 1.00 0.00 N ATOM 221 CA GLN A1157 10.182 8.988 1.769 1.00 0.00 C ATOM 222 C GLN A1157 9.674 9.020 0.330 1.00 0.00 C ATOM 223 O GLN A1157 9.917 9.981 -0.401 1.00 0.00 O ATOM 224 CB GLN A1157 11.540 9.688 1.856 1.00 0.00 C ATOM 225 CG GLN A1157 11.865 10.216 3.244 1.00 0.00 C ATOM 226 CD GLN A1157 12.842 11.374 3.214 1.00 0.00 C ATOM 227 OE1 GLN A1157 13.151 11.915 2.153 1.00 0.00 O ATOM 228 NE2 GLN A1157 13.337 11.761 4.385 1.00 0.00 N ATOM 0 H GLN A1157 10.430 6.914 1.553 1.00 0.00 H new ATOM 0 HA GLN A1157 9.460 9.515 2.392 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.319 8.990 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.558 10.516 1.148 1.00 0.00 H new ATOM 0 HG2 GLN A1157 10.944 10.535 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A1157 12.282 9.409 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A1157 13.054 11.284 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A1157 14.000 12.535 4.428 1.00 0.00 H new ATOM 237 N CYS A1158 8.960 7.974 -0.070 1.00 0.00 N ATOM 238 CA CYS A1158 8.408 7.895 -1.421 1.00 0.00 C ATOM 239 C CYS A1158 6.894 8.070 -1.378 1.00 0.00 C ATOM 240 O CYS A1158 6.300 8.152 -0.301 1.00 0.00 O ATOM 241 CB CYS A1158 8.773 6.557 -2.070 1.00 0.00 C ATOM 242 SG CYS A1158 8.050 5.126 -1.248 1.00 0.00 S ATOM 0 H CYS A1158 8.749 7.169 0.520 1.00 0.00 H new ATOM 0 HA CYS A1158 8.837 8.697 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.448 6.568 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.858 6.451 -2.076 1.00 0.00 H new ATOM 0 HG CYS A1158 8.355 5.151 0.015 1.00 0.00 H new ATOM 248 N PRO A1159 6.244 8.139 -2.548 1.00 0.00 N ATOM 249 CA PRO A1159 4.792 8.316 -2.636 1.00 0.00 C ATOM 250 C PRO A1159 4.031 7.260 -1.841 1.00 0.00 C ATOM 251 O PRO A1159 2.947 7.522 -1.326 1.00 0.00 O ATOM 252 CB PRO A1159 4.514 8.190 -4.136 1.00 0.00 C ATOM 253 CG PRO A1159 5.796 8.599 -4.775 1.00 0.00 C ATOM 254 CD PRO A1159 6.866 8.054 -3.880 1.00 0.00 C ATOM 0 HA PRO A1159 4.463 9.265 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.240 7.170 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.691 8.834 -4.445 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.881 8.194 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.867 9.683 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.129 7.029 -4.140 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.782 8.642 -3.938 1.00 0.00 H new ATOM 262 N GLY A1160 4.609 6.068 -1.739 1.00 0.00 N ATOM 263 CA GLY A1160 3.975 4.994 -0.994 1.00 0.00 C ATOM 264 C GLY A1160 4.138 5.140 0.509 1.00 0.00 C ATOM 265 O GLY A1160 3.165 5.073 1.261 1.00 0.00 O ATOM 0 H GLY A1160 5.506 5.825 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.913 4.967 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.399 4.041 -1.309 1.00 0.00 H new ATOM 269 N CYS A1161 5.381 5.319 0.938 1.00 0.00 N ATOM 270 CA CYS A1161 5.714 5.452 2.349 1.00 0.00 C ATOM 271 C CYS A1161 5.055 6.673 2.990 1.00 0.00 C ATOM 272 O CYS A1161 4.862 6.711 4.205 1.00 0.00 O ATOM 273 CB CYS A1161 7.233 5.544 2.496 1.00 0.00 C ATOM 274 SG CYS A1161 8.104 4.006 2.117 1.00 0.00 S ATOM 0 H CYS A1161 6.187 5.376 0.316 1.00 0.00 H new ATOM 0 HA CYS A1161 5.332 4.573 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.604 6.331 1.839 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.471 5.842 3.517 1.00 0.00 H new ATOM 0 HG CYS A1161 8.769 3.615 3.163 1.00 0.00 H new ATOM 279 N GLN A1162 4.731 7.676 2.181 1.00 0.00 N ATOM 280 CA GLN A1162 4.118 8.897 2.700 1.00 0.00 C ATOM 281 C GLN A1162 2.600 8.778 2.847 1.00 0.00 C ATOM 282 O GLN A1162 1.940 9.744 3.225 1.00 0.00 O ATOM 283 CB GLN A1162 4.457 10.085 1.802 1.00 0.00 C ATOM 284 CG GLN A1162 3.786 10.037 0.440 1.00 0.00 C ATOM 285 CD GLN A1162 4.451 10.959 -0.562 1.00 0.00 C ATOM 286 OE1 GLN A1162 5.765 10.817 -0.716 1.00 0.00 O flip ATOM 287 NE2 GLN A1162 3.796 11.790 -1.191 1.00 0.00 N flip ATOM 0 H GLN A1162 4.880 7.670 1.172 1.00 0.00 H new ATOM 0 HA GLN A1162 4.531 9.056 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.165 11.005 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.537 10.126 1.663 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.810 9.015 0.062 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.737 10.314 0.544 1.00 0.00 H new ATOM 0 HE21 GLN A1162 2.790 11.865 -1.042 1.00 0.00 H new ATOM 0 HE22 GLN A1162 4.259 12.403 -1.861 1.00 0.00 H new ATOM 296 N VAL A1163 2.043 7.607 2.548 1.00 0.00 N ATOM 297 CA VAL A1163 0.600 7.416 2.660 1.00 0.00 C ATOM 298 C VAL A1163 0.232 6.584 3.887 1.00 0.00 C ATOM 299 O VAL A1163 0.259 5.356 3.844 1.00 0.00 O ATOM 300 CB VAL A1163 0.007 6.740 1.412 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.510 6.766 1.470 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.497 7.419 0.148 1.00 0.00 C ATOM 0 H VAL A1163 2.560 6.787 2.231 1.00 0.00 H new ATOM 0 HA VAL A1163 0.176 8.415 2.759 1.00 0.00 H new ATOM 0 HB VAL A1163 0.340 5.702 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.916 6.284 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.849 6.233 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.855 7.799 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.065 6.924 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.195 8.466 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.584 7.355 0.099 1.00 0.00 H new ATOM 312 N PRO A1164 -0.128 7.247 4.999 1.00 0.00 N ATOM 313 CA PRO A1164 -0.515 6.566 6.234 1.00 0.00 C ATOM 314 C PRO A1164 -1.981 6.134 6.222 1.00 0.00 C ATOM 315 O PRO A1164 -2.467 5.528 7.177 1.00 0.00 O ATOM 316 CB PRO A1164 -0.288 7.642 7.290 1.00 0.00 C ATOM 317 CG PRO A1164 -0.593 8.919 6.584 1.00 0.00 C ATOM 318 CD PRO A1164 -0.197 8.715 5.142 1.00 0.00 C ATOM 0 HA PRO A1164 0.049 5.648 6.399 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.940 7.498 8.152 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.737 7.627 7.660 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.652 9.164 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A1164 -0.040 9.748 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.929 9.149 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.762 9.184 4.920 1.00 0.00 H new ATOM 326 N GLU A1165 -2.683 6.456 5.136 1.00 0.00 N ATOM 327 CA GLU A1165 -4.094 6.108 5.006 1.00 0.00 C ATOM 328 C GLU A1165 -4.368 5.390 3.687 1.00 0.00 C ATOM 329 O GLU A1165 -3.455 5.142 2.900 1.00 0.00 O ATOM 330 CB GLU A1165 -4.953 7.369 5.092 1.00 0.00 C ATOM 331 CG GLU A1165 -4.569 8.433 4.074 1.00 0.00 C ATOM 332 CD GLU A1165 -5.764 8.980 3.320 1.00 0.00 C ATOM 333 OE1 GLU A1165 -6.677 9.529 3.971 1.00 0.00 O ATOM 334 OE2 GLU A1165 -5.789 8.857 2.077 1.00 0.00 O ATOM 0 H GLU A1165 -2.297 6.957 4.336 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.350 5.434 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.999 7.098 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.869 7.789 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -4.061 9.251 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -3.859 8.010 3.363 1.00 0.00 H new ATOM 341 N ASP A1166 -5.636 5.065 3.456 1.00 0.00 N ATOM 342 CA ASP A1166 -6.052 4.381 2.241 1.00 0.00 C ATOM 343 C ASP A1166 -6.635 5.380 1.246 1.00 0.00 C ATOM 344 O ASP A1166 -7.638 6.031 1.537 1.00 0.00 O ATOM 345 CB ASP A1166 -7.086 3.316 2.599 1.00 0.00 C ATOM 346 CG ASP A1166 -6.494 2.211 3.448 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.555 1.538 2.974 1.00 0.00 O ATOM 348 OD2 ASP A1166 -6.962 2.025 4.591 1.00 0.00 O ATOM 0 H ASP A1166 -6.398 5.268 4.103 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.189 3.904 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.914 3.781 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.498 2.889 1.685 1.00 0.00 H new ATOM 353 N CYS A1167 -6.010 5.513 0.070 1.00 0.00 N ATOM 354 CA CYS A1167 -6.498 6.450 -0.934 1.00 0.00 C ATOM 355 C CYS A1167 -7.996 6.261 -1.148 1.00 0.00 C ATOM 356 O CYS A1167 -8.754 7.230 -1.179 1.00 0.00 O ATOM 357 CB CYS A1167 -5.732 6.288 -2.245 1.00 0.00 C ATOM 358 SG CYS A1167 -5.937 4.684 -3.041 1.00 0.00 S ATOM 0 H CYS A1167 -5.178 4.990 -0.202 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.328 7.465 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -6.054 7.066 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.671 6.451 -2.053 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.187 3.781 -2.140 1.00 0.00 H new ATOM 364 N GLY A1168 -8.426 5.004 -1.247 1.00 0.00 N ATOM 365 CA GLY A1168 -9.839 4.731 -1.398 1.00 0.00 C ATOM 366 C GLY A1168 -10.313 4.622 -2.823 1.00 0.00 C ATOM 367 O GLY A1168 -11.502 4.795 -3.091 1.00 0.00 O ATOM 0 H GLY A1168 -7.825 4.180 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.072 3.801 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.402 5.521 -0.902 1.00 0.00 H new ATOM 371 N VAL A1169 -9.405 4.380 -3.748 1.00 0.00 N ATOM 372 CA VAL A1169 -9.789 4.304 -5.146 1.00 0.00 C ATOM 373 C VAL A1169 -9.082 3.180 -5.905 1.00 0.00 C ATOM 374 O VAL A1169 -9.445 2.879 -7.042 1.00 0.00 O ATOM 375 CB VAL A1169 -9.527 5.653 -5.818 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.357 6.738 -5.134 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.047 5.983 -5.749 1.00 0.00 C ATOM 0 H VAL A1169 -8.412 4.235 -3.563 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.853 4.068 -5.178 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.820 5.602 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.168 7.698 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.416 6.493 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.080 6.799 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.866 6.945 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.734 6.033 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.477 5.208 -6.262 1.00 0.00 H new ATOM 387 N CYS A1170 -8.104 2.535 -5.275 1.00 0.00 N ATOM 388 CA CYS A1170 -7.410 1.424 -5.915 1.00 0.00 C ATOM 389 C CYS A1170 -8.107 0.124 -5.533 1.00 0.00 C ATOM 390 O CYS A1170 -8.800 0.070 -4.526 1.00 0.00 O ATOM 391 CB CYS A1170 -5.931 1.388 -5.518 1.00 0.00 C ATOM 392 SG CYS A1170 -5.633 1.256 -3.742 1.00 0.00 S ATOM 0 H CYS A1170 -7.778 2.759 -4.335 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.447 1.555 -6.997 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.455 0.544 -6.017 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.447 2.292 -5.888 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.541 2.446 -3.228 1.00 0.00 H new ATOM 398 N THR A1171 -7.952 -0.912 -6.342 1.00 0.00 N ATOM 399 CA THR A1171 -8.619 -2.195 -6.068 1.00 0.00 C ATOM 400 C THR A1171 -8.460 -2.615 -4.603 1.00 0.00 C ATOM 401 O THR A1171 -9.406 -3.094 -3.973 1.00 0.00 O ATOM 402 CB THR A1171 -8.088 -3.312 -6.989 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.455 -4.334 -6.239 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.096 -2.837 -8.029 1.00 0.00 C ATOM 0 H THR A1171 -7.380 -0.901 -7.186 1.00 0.00 H new ATOM 0 HA THR A1171 -9.679 -2.046 -6.271 1.00 0.00 H new ATOM 0 HB THR A1171 -8.975 -3.683 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.129 -5.031 -6.846 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.771 -3.683 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.569 -2.092 -8.669 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.233 -2.394 -7.533 1.00 0.00 H new ATOM 412 N ASN A1172 -7.258 -2.439 -4.077 1.00 0.00 N ATOM 413 CA ASN A1172 -6.950 -2.808 -2.702 1.00 0.00 C ATOM 414 C ASN A1172 -7.780 -2.021 -1.689 1.00 0.00 C ATOM 415 O ASN A1172 -8.367 -2.595 -0.771 1.00 0.00 O ATOM 416 CB ASN A1172 -5.468 -2.578 -2.437 1.00 0.00 C ATOM 417 CG ASN A1172 -4.587 -3.250 -3.472 1.00 0.00 C ATOM 418 OD1 ASN A1172 -3.541 -2.553 -3.901 1.00 0.00 O flip ATOM 419 ND2 ASN A1172 -4.844 -4.381 -3.885 1.00 0.00 N flip ATOM 0 H ASN A1172 -6.471 -2.038 -4.587 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.200 -3.862 -2.579 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.264 -1.507 -2.430 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.215 -2.957 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -5.658 -4.881 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -4.243 -4.818 -4.584 1.00 0.00 H new ATOM 426 N CYS A1173 -7.816 -0.710 -1.859 1.00 0.00 N ATOM 427 CA CYS A1173 -8.563 0.164 -0.962 1.00 0.00 C ATOM 428 C CYS A1173 -10.048 -0.026 -1.168 1.00 0.00 C ATOM 429 O CYS A1173 -10.803 -0.200 -0.221 1.00 0.00 O ATOM 430 CB CYS A1173 -8.180 1.619 -1.202 1.00 0.00 C ATOM 431 SG CYS A1173 -6.599 2.079 -0.466 1.00 0.00 S ATOM 0 H CYS A1173 -7.334 -0.222 -2.614 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.315 -0.096 0.067 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.139 1.803 -2.276 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -8.961 2.263 -0.798 1.00 0.00 H new ATOM 0 HG CYS A1173 -5.653 1.938 -1.346 1.00 0.00 H new ATOM 436 N LEU A1174 -10.455 -0.013 -2.419 1.00 0.00 N ATOM 437 CA LEU A1174 -11.843 -0.210 -2.770 1.00 0.00 C ATOM 438 C LEU A1174 -12.311 -1.568 -2.271 1.00 0.00 C ATOM 439 O LEU A1174 -13.499 -1.783 -2.029 1.00 0.00 O ATOM 440 CB LEU A1174 -11.999 -0.072 -4.276 1.00 0.00 C ATOM 441 CG LEU A1174 -11.481 1.251 -4.815 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.518 1.267 -6.333 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.294 2.391 -4.220 1.00 0.00 C ATOM 0 H LEU A1174 -9.836 0.134 -3.217 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.467 0.546 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.468 -0.889 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.052 -0.175 -4.536 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.439 1.379 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.143 2.224 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.894 0.462 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.544 1.127 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.924 3.341 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.342 2.272 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.199 2.378 -3.134 1.00 0.00 H new ATOM 455 N ASP A1175 -11.352 -2.469 -2.083 1.00 0.00 N ATOM 456 CA ASP A1175 -11.637 -3.796 -1.572 1.00 0.00 C ATOM 457 C ASP A1175 -12.044 -3.723 -0.094 1.00 0.00 C ATOM 458 O ASP A1175 -12.543 -4.699 0.468 1.00 0.00 O ATOM 459 CB ASP A1175 -10.405 -4.686 -1.746 1.00 0.00 C ATOM 460 CG ASP A1175 -10.562 -5.664 -2.895 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.711 -6.051 -3.194 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.534 -6.043 -3.496 1.00 0.00 O ATOM 0 H ASP A1175 -10.366 -2.298 -2.280 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.468 -4.225 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.529 -4.061 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.224 -5.238 -0.824 1.00 0.00 H new ATOM 467 N LYS A1176 -11.835 -2.556 0.529 1.00 0.00 N ATOM 468 CA LYS A1176 -12.185 -2.353 1.932 1.00 0.00 C ATOM 469 C LYS A1176 -13.669 -2.029 2.076 1.00 0.00 C ATOM 470 O LYS A1176 -14.304 -1.576 1.128 1.00 0.00 O ATOM 471 CB LYS A1176 -11.354 -1.212 2.520 1.00 0.00 C ATOM 472 CG LYS A1176 -9.984 -1.642 3.011 1.00 0.00 C ATOM 473 CD LYS A1176 -8.877 -0.861 2.322 1.00 0.00 C ATOM 474 CE LYS A1176 -7.771 -0.496 3.293 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.358 -1.658 4.128 1.00 0.00 N ATOM 0 H LYS A1176 -11.424 -1.739 0.078 1.00 0.00 H new ATOM 0 HA LYS A1176 -11.972 -3.274 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.232 -0.437 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.903 -0.765 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -9.919 -1.494 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.848 -2.708 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -8.465 -1.454 1.505 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.290 0.046 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -6.910 -0.123 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -8.109 0.314 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.379 -1.523 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -7.988 -1.734 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.419 -2.530 3.564 1.00 0.00 H new ATOM 489 N PRO A1177 -14.240 -2.245 3.272 1.00 0.00 N ATOM 490 CA PRO A1177 -15.655 -1.966 3.532 1.00 0.00 C ATOM 491 C PRO A1177 -15.968 -0.475 3.481 1.00 0.00 C ATOM 492 O PRO A1177 -17.059 -0.072 3.078 1.00 0.00 O ATOM 493 CB PRO A1177 -15.877 -2.514 4.945 1.00 0.00 C ATOM 494 CG PRO A1177 -14.527 -2.505 5.574 1.00 0.00 C ATOM 495 CD PRO A1177 -13.550 -2.769 4.462 1.00 0.00 C ATOM 0 HA PRO A1177 -16.303 -2.419 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.578 -1.894 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.294 -3.521 4.918 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.325 -1.546 6.051 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.452 -3.268 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.600 -2.262 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.330 -3.832 4.364 1.00 0.00 H new ATOM 503 N LYS A1178 -15.000 0.339 3.887 1.00 0.00 N ATOM 504 CA LYS A1178 -15.168 1.786 3.885 1.00 0.00 C ATOM 505 C LYS A1178 -15.139 2.343 2.462 1.00 0.00 C ATOM 506 O LYS A1178 -15.563 3.474 2.222 1.00 0.00 O ATOM 507 CB LYS A1178 -14.072 2.447 4.725 1.00 0.00 C ATOM 508 CG LYS A1178 -12.687 2.367 4.101 1.00 0.00 C ATOM 509 CD LYS A1178 -11.713 3.314 4.785 1.00 0.00 C ATOM 510 CE LYS A1178 -10.648 2.555 5.558 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.883 3.446 6.473 1.00 0.00 N ATOM 0 H LYS A1178 -14.091 0.020 4.222 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.141 2.012 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.330 3.494 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.046 1.975 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.313 1.345 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.750 2.611 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -11.238 3.950 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -12.258 3.970 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -11.117 1.759 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -9.962 2.079 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.167 2.889 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -9.414 4.191 5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -10.533 3.881 7.158 1.00 0.00 H new ATOM 525 N PHE A1179 -14.634 1.548 1.522 1.00 0.00 N ATOM 526 CA PHE A1179 -14.548 1.973 0.131 1.00 0.00 C ATOM 527 C PHE A1179 -15.513 1.186 -0.757 1.00 0.00 C ATOM 528 O PHE A1179 -15.369 1.170 -1.980 1.00 0.00 O ATOM 529 CB PHE A1179 -13.116 1.813 -0.378 1.00 0.00 C ATOM 530 CG PHE A1179 -12.162 2.772 0.263 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.357 4.133 0.125 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.087 2.322 1.020 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.511 5.029 0.730 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.227 3.217 1.621 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.440 4.575 1.479 1.00 0.00 C ATOM 0 H PHE A1179 -14.279 0.608 1.699 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.833 3.024 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.780 0.793 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.101 1.960 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.185 4.496 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.923 1.261 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.682 6.090 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.390 2.858 2.201 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.772 5.280 1.951 1.00 0.00 H new ATOM 545 N GLY A1180 -16.499 0.542 -0.137 1.00 0.00 N ATOM 546 CA GLY A1180 -17.473 -0.229 -0.893 1.00 0.00 C ATOM 547 C GLY A1180 -17.165 -1.717 -0.917 1.00 0.00 C ATOM 548 O GLY A1180 -18.033 -2.530 -1.234 1.00 0.00 O ATOM 0 H GLY A1180 -16.641 0.540 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.463 -0.076 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.509 0.145 -1.916 1.00 0.00 H new ATOM 552 N GLY A1181 -15.930 -2.073 -0.583 1.00 0.00 N ATOM 553 CA GLY A1181 -15.532 -3.470 -0.574 1.00 0.00 C ATOM 554 C GLY A1181 -16.146 -4.249 0.575 1.00 0.00 C ATOM 555 O GLY A1181 -17.278 -3.982 0.978 1.00 0.00 O ATOM 0 H GLY A1181 -15.195 -1.418 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -15.824 -3.932 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.446 -3.533 -0.510 1.00 0.00 H new ATOM 559 N ARG A1182 -15.400 -5.220 1.098 1.00 0.00 N ATOM 560 CA ARG A1182 -15.887 -6.046 2.201 1.00 0.00 C ATOM 561 C ARG A1182 -14.750 -6.524 3.104 1.00 0.00 C ATOM 562 O ARG A1182 -14.919 -7.474 3.868 1.00 0.00 O ATOM 563 CB ARG A1182 -16.638 -7.254 1.643 1.00 0.00 C ATOM 564 CG ARG A1182 -17.808 -6.881 0.751 1.00 0.00 C ATOM 565 CD ARG A1182 -18.788 -8.033 0.605 1.00 0.00 C ATOM 566 NE ARG A1182 -19.729 -7.815 -0.491 1.00 0.00 N ATOM 567 CZ ARG A1182 -20.716 -6.923 -0.456 1.00 0.00 C ATOM 568 NH1 ARG A1182 -20.896 -6.166 0.619 1.00 0.00 N ATOM 569 NH2 ARG A1182 -21.523 -6.787 -1.498 1.00 0.00 N ATOM 0 H ARG A1182 -14.460 -5.454 0.778 1.00 0.00 H new ATOM 0 HA ARG A1182 -16.555 -5.432 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.943 -7.874 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -17.003 -7.860 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -18.323 -6.015 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.439 -6.590 -0.232 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.237 -8.958 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -19.339 -8.160 1.537 1.00 0.00 H new ATOM 0 HE ARG A1182 -19.623 -8.380 -1.333 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -20.276 -6.266 1.423 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -21.654 -5.484 0.641 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -21.388 -7.366 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -22.280 -6.103 -1.471 1.00 0.00 H new ATOM 583 N ASN A1183 -13.592 -5.873 3.017 1.00 0.00 N ATOM 584 CA ASN A1183 -12.440 -6.256 3.833 1.00 0.00 C ATOM 585 C ASN A1183 -12.086 -7.727 3.619 1.00 0.00 C ATOM 586 O ASN A1183 -11.445 -8.350 4.467 1.00 0.00 O ATOM 587 CB ASN A1183 -12.728 -6.007 5.316 1.00 0.00 C ATOM 588 CG ASN A1183 -11.571 -5.333 6.028 1.00 0.00 C ATOM 589 OD1 ASN A1183 -11.028 -4.284 5.421 1.00 0.00 O flip ATOM 590 ND2 ASN A1183 -11.169 -5.751 7.114 1.00 0.00 N flip ATOM 0 H ASN A1183 -13.426 -5.083 2.394 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.593 -5.643 3.525 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.619 -5.387 5.410 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -12.947 -6.956 5.804 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -11.615 -6.560 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -10.390 -5.288 7.582 1.00 0.00 H new ATOM 597 N ILE A1184 -12.511 -8.277 2.488 1.00 0.00 N ATOM 598 CA ILE A1184 -12.245 -9.673 2.169 1.00 0.00 C ATOM 599 C ILE A1184 -10.901 -9.830 1.472 1.00 0.00 C ATOM 600 O ILE A1184 -10.130 -10.739 1.782 1.00 0.00 O ATOM 601 CB ILE A1184 -13.367 -10.260 1.291 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.344 -9.652 -0.113 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.707 -9.997 1.948 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.405 -10.218 -1.032 1.00 0.00 C ATOM 0 H ILE A1184 -13.042 -7.776 1.776 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.213 -10.224 3.109 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.208 -11.334 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.479 -8.573 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.363 -9.819 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.503 -10.411 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.729 -10.468 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.854 -8.922 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.331 -9.742 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.258 -11.293 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.392 -10.027 -0.610 1.00 0.00 H new ATOM 616 N LYS A1185 -10.621 -8.929 0.541 1.00 0.00 N ATOM 617 CA LYS A1185 -9.366 -8.956 -0.190 1.00 0.00 C ATOM 618 C LYS A1185 -8.281 -8.252 0.609 1.00 0.00 C ATOM 619 O LYS A1185 -7.114 -8.638 0.560 1.00 0.00 O ATOM 620 CB LYS A1185 -9.523 -8.278 -1.551 1.00 0.00 C ATOM 621 CG LYS A1185 -8.588 -8.822 -2.617 1.00 0.00 C ATOM 622 CD LYS A1185 -9.256 -8.855 -3.982 1.00 0.00 C ATOM 623 CE LYS A1185 -9.719 -10.258 -4.342 1.00 0.00 C ATOM 624 NZ LYS A1185 -10.031 -10.385 -5.793 1.00 0.00 N ATOM 0 H LYS A1185 -11.248 -8.170 0.275 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.081 -9.997 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.553 -8.396 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.346 -7.209 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -7.691 -8.204 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -8.268 -9.827 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -10.109 -8.177 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -8.558 -8.496 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -8.944 -10.976 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -10.604 -10.510 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -10.343 -11.356 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -10.788 -9.718 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -9.180 -10.170 -6.351 1.00 0.00 H new ATOM 638 N LYS A1186 -8.689 -7.215 1.350 1.00 0.00 N ATOM 639 CA LYS A1186 -7.772 -6.424 2.182 1.00 0.00 C ATOM 640 C LYS A1186 -6.319 -6.560 1.717 1.00 0.00 C ATOM 641 O LYS A1186 -5.549 -7.339 2.279 1.00 0.00 O ATOM 642 CB LYS A1186 -7.894 -6.846 3.648 1.00 0.00 C ATOM 643 CG LYS A1186 -7.964 -5.674 4.614 1.00 0.00 C ATOM 644 CD LYS A1186 -6.665 -5.502 5.384 1.00 0.00 C ATOM 645 CE LYS A1186 -5.822 -4.374 4.811 1.00 0.00 C ATOM 646 NZ LYS A1186 -4.392 -4.490 5.210 1.00 0.00 N ATOM 0 H LYS A1186 -9.659 -6.901 1.391 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.056 -5.377 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -8.787 -7.459 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.041 -7.472 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -8.184 -4.760 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.785 -5.828 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -6.886 -5.296 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.098 -6.432 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -5.897 -4.381 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -6.217 -3.417 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -3.852 -3.702 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -4.317 -4.457 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.007 -5.392 4.863 1.00 0.00 H new ATOM 660 N GLN A1187 -5.955 -5.808 0.682 1.00 0.00 N ATOM 661 CA GLN A1187 -4.601 -5.863 0.142 1.00 0.00 C ATOM 662 C GLN A1187 -3.838 -4.575 0.434 1.00 0.00 C ATOM 663 O GLN A1187 -4.401 -3.607 0.944 1.00 0.00 O ATOM 664 CB GLN A1187 -4.644 -6.107 -1.367 1.00 0.00 C ATOM 665 CG GLN A1187 -5.581 -7.230 -1.780 1.00 0.00 C ATOM 666 CD GLN A1187 -4.875 -8.566 -1.898 1.00 0.00 C ATOM 667 OE1 GLN A1187 -4.108 -8.794 -2.835 1.00 0.00 O ATOM 668 NE2 GLN A1187 -5.130 -9.458 -0.948 1.00 0.00 N ATOM 0 H GLN A1187 -6.576 -5.156 0.203 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.080 -6.688 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -4.952 -5.188 -1.866 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.638 -6.338 -1.717 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.387 -7.312 -1.050 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.041 -6.981 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.772 -9.226 -0.190 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -4.684 -10.375 -0.976 1.00 0.00 H new ATOM 677 N CYS A1188 -2.551 -4.573 0.098 1.00 0.00 N ATOM 678 CA CYS A1188 -1.705 -3.405 0.315 1.00 0.00 C ATOM 679 C CYS A1188 -2.077 -2.287 -0.653 1.00 0.00 C ATOM 680 O CYS A1188 -1.974 -2.447 -1.868 1.00 0.00 O ATOM 681 CB CYS A1188 -0.231 -3.776 0.142 1.00 0.00 C ATOM 682 SG CYS A1188 0.586 -4.284 1.674 1.00 0.00 S ATOM 0 H CYS A1188 -2.072 -5.368 -0.326 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.864 -3.052 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.154 -4.585 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.301 -2.921 -0.275 1.00 0.00 H new ATOM 0 HG CYS A1188 1.827 -4.580 1.426 1.00 0.00 H new ATOM 688 N CYS A1189 -2.513 -1.158 -0.105 1.00 0.00 N ATOM 689 CA CYS A1189 -2.909 -0.011 -0.917 1.00 0.00 C ATOM 690 C CYS A1189 -1.869 0.293 -1.997 1.00 0.00 C ATOM 691 O CYS A1189 -0.676 0.413 -1.718 1.00 0.00 O ATOM 692 CB CYS A1189 -3.129 1.212 -0.023 1.00 0.00 C ATOM 693 SG CYS A1189 -3.213 2.786 -0.909 1.00 0.00 S ATOM 0 H CYS A1189 -2.602 -1.012 0.901 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.844 -0.257 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.054 1.075 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.320 1.263 0.706 1.00 0.00 H new ATOM 0 HG CYS A1189 -3.466 3.744 -0.068 1.00 0.00 H new ATOM 698 N LYS A1190 -2.344 0.412 -3.233 1.00 0.00 N ATOM 699 CA LYS A1190 -1.486 0.694 -4.377 1.00 0.00 C ATOM 700 C LYS A1190 -0.709 1.997 -4.191 1.00 0.00 C ATOM 701 O LYS A1190 0.446 2.101 -4.604 1.00 0.00 O ATOM 702 CB LYS A1190 -2.329 0.763 -5.652 1.00 0.00 C ATOM 703 CG LYS A1190 -3.079 -0.523 -5.954 1.00 0.00 C ATOM 704 CD LYS A1190 -3.495 -0.597 -7.414 1.00 0.00 C ATOM 705 CE LYS A1190 -3.809 -2.024 -7.834 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.618 -2.708 -8.409 1.00 0.00 N ATOM 0 H LYS A1190 -3.332 0.316 -3.469 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.761 -0.115 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -3.046 1.579 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.680 1.002 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.449 -1.378 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -3.963 -0.587 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.371 0.032 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.697 -0.200 -8.041 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.169 -2.585 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.614 -2.017 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -2.873 -3.678 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.289 -2.187 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -1.858 -2.737 -7.699 1.00 0.00 H new ATOM 720 N MET A1191 -1.343 2.990 -3.574 1.00 0.00 N ATOM 721 CA MET A1191 -0.700 4.277 -3.345 1.00 0.00 C ATOM 722 C MET A1191 0.199 4.237 -2.112 1.00 0.00 C ATOM 723 O MET A1191 1.000 5.143 -1.896 1.00 0.00 O ATOM 724 CB MET A1191 -1.755 5.368 -3.174 1.00 0.00 C ATOM 725 CG MET A1191 -2.731 5.462 -4.335 1.00 0.00 C ATOM 726 SD MET A1191 -2.148 6.551 -5.648 1.00 0.00 S ATOM 727 CE MET A1191 -2.432 8.156 -4.905 1.00 0.00 C ATOM 0 H MET A1191 -2.299 2.927 -3.225 1.00 0.00 H new ATOM 0 HA MET A1191 -0.081 4.500 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.313 5.181 -2.256 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.255 6.329 -3.053 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.900 4.466 -4.743 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.692 5.824 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.763 8.858 -5.670 1.00 0.00 H new ATOM 0 HE2 MET A1191 -3.199 8.070 -4.135 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.507 8.518 -4.457 1.00 0.00 H new ATOM 737 N ARG A1192 0.050 3.195 -1.299 1.00 0.00 N ATOM 738 CA ARG A1192 0.836 3.051 -0.079 1.00 0.00 C ATOM 739 C ARG A1192 2.084 2.209 -0.305 1.00 0.00 C ATOM 740 O ARG A1192 3.118 2.429 0.325 1.00 0.00 O ATOM 741 CB ARG A1192 -0.014 2.400 1.000 1.00 0.00 C ATOM 742 CG ARG A1192 -0.986 3.360 1.658 1.00 0.00 C ATOM 743 CD ARG A1192 -1.912 2.649 2.631 1.00 0.00 C ATOM 744 NE ARG A1192 -1.701 3.087 4.007 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.286 2.523 5.061 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.119 1.502 4.900 1.00 0.00 N ATOM 747 NH2 ARG A1192 -2.038 2.980 6.279 1.00 0.00 N ATOM 0 H ARG A1192 -0.611 2.436 -1.465 1.00 0.00 H new ATOM 0 HA ARG A1192 1.150 4.047 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.572 1.572 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.640 1.977 1.762 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.430 4.135 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.579 3.859 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.948 2.834 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.751 1.573 2.564 1.00 0.00 H new ATOM 0 HE ARG A1192 -1.069 3.871 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.314 1.145 3.964 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.564 1.074 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.399 3.764 6.409 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.486 2.548 7.087 1.00 0.00 H new ATOM 761 N LYS A1193 1.973 1.234 -1.194 1.00 0.00 N ATOM 762 CA LYS A1193 3.090 0.340 -1.489 1.00 0.00 C ATOM 763 C LYS A1193 4.338 1.130 -1.872 1.00 0.00 C ATOM 764 O LYS A1193 4.330 1.905 -2.828 1.00 0.00 O ATOM 765 CB LYS A1193 2.712 -0.636 -2.610 1.00 0.00 C ATOM 766 CG LYS A1193 2.759 -0.024 -4.002 1.00 0.00 C ATOM 767 CD LYS A1193 2.235 -0.990 -5.053 1.00 0.00 C ATOM 768 CE LYS A1193 2.824 -0.694 -6.423 1.00 0.00 C ATOM 769 NZ LYS A1193 4.279 -1.004 -6.482 1.00 0.00 N ATOM 0 H LYS A1193 1.124 1.039 -1.725 1.00 0.00 H new ATOM 0 HA LYS A1193 3.313 -0.230 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A1193 3.387 -1.491 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A1193 1.707 -1.016 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.166 0.890 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A1193 3.784 0.256 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A1193 2.479 -2.012 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A1193 1.148 -0.923 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A1193 2.298 -1.278 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A1193 2.667 0.357 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 4.559 -1.168 -7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 4.820 -0.204 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 4.475 -1.857 -5.920 1.00 0.00 H new ATOM 783 N CYS A1194 5.405 0.931 -1.104 1.00 0.00 N ATOM 784 CA CYS A1194 6.664 1.626 -1.339 1.00 0.00 C ATOM 785 C CYS A1194 7.181 1.389 -2.756 1.00 0.00 C ATOM 786 O CYS A1194 6.973 0.327 -3.343 1.00 0.00 O ATOM 787 CB CYS A1194 7.710 1.188 -0.315 1.00 0.00 C ATOM 788 SG CYS A1194 9.348 1.911 -0.573 1.00 0.00 S ATOM 0 H CYS A1194 5.421 0.291 -0.310 1.00 0.00 H new ATOM 0 HA CYS A1194 6.479 2.694 -1.227 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.360 1.455 0.682 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.796 0.102 -0.342 1.00 0.00 H new ATOM 0 HG CYS A1194 9.225 3.173 -0.861 1.00 0.00 H new ATOM 793 N GLN A1195 7.845 2.404 -3.294 1.00 0.00 N ATOM 794 CA GLN A1195 8.398 2.360 -4.637 1.00 0.00 C ATOM 795 C GLN A1195 9.906 2.122 -4.617 1.00 0.00 C ATOM 796 O GLN A1195 10.465 1.554 -5.555 1.00 0.00 O ATOM 797 CB GLN A1195 8.098 3.681 -5.341 1.00 0.00 C ATOM 798 CG GLN A1195 6.772 3.684 -6.076 1.00 0.00 C ATOM 799 CD GLN A1195 6.716 4.723 -7.179 1.00 0.00 C ATOM 800 OE1 GLN A1195 6.569 5.985 -6.795 1.00 0.00 O flip ATOM 801 NE2 GLN A1195 6.803 4.394 -8.363 1.00 0.00 N flip ATOM 0 H GLN A1195 8.015 3.284 -2.807 1.00 0.00 H new ATOM 0 HA GLN A1195 7.937 1.530 -5.172 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.099 4.485 -4.605 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.898 3.897 -6.049 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.596 2.697 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A1195 5.968 3.872 -5.365 1.00 0.00 H new ATOM 0 HE21 GLN A1195 6.915 3.411 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A1195 6.763 5.104 -9.094 1.00 0.00 H new ATOM 810 N ASN A1196 10.563 2.573 -3.552 1.00 0.00 N ATOM 811 CA ASN A1196 12.006 2.423 -3.428 1.00 0.00 C ATOM 812 C ASN A1196 12.385 1.837 -2.074 1.00 0.00 C ATOM 813 O ASN A1196 12.140 2.440 -1.030 1.00 0.00 O ATOM 814 CB ASN A1196 12.689 3.780 -3.640 1.00 0.00 C ATOM 815 CG ASN A1196 14.130 3.805 -3.167 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.924 2.927 -3.505 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.471 4.816 -2.378 1.00 0.00 N ATOM 0 H ASN A1196 10.118 3.044 -2.765 1.00 0.00 H new ATOM 0 HA ASN A1196 12.348 1.728 -4.195 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.657 4.034 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.126 4.549 -3.111 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.425 4.888 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.779 5.521 -2.124 1.00 0.00 H new ATOM 824 N LEU A1197 12.989 0.660 -2.105 1.00 0.00 N ATOM 825 CA LEU A1197 13.409 -0.016 -0.888 1.00 0.00 C ATOM 826 C LEU A1197 14.840 -0.527 -1.023 1.00 0.00 C ATOM 827 O LEU A1197 15.331 -0.732 -2.134 1.00 0.00 O ATOM 828 CB LEU A1197 12.472 -1.188 -0.583 1.00 0.00 C ATOM 829 CG LEU A1197 11.022 -1.016 -1.048 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.700 -1.980 -2.170 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.061 -1.234 0.103 1.00 0.00 C ATOM 0 H LEU A1197 13.200 0.151 -2.963 1.00 0.00 H new ATOM 0 HA LEU A1197 13.367 0.701 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.879 -2.086 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.471 -1.359 0.494 1.00 0.00 H new ATOM 0 HG LEU A1197 10.909 0.004 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.666 -1.840 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.364 -1.792 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A1197 10.838 -3.003 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.037 -1.107 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.187 -2.243 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.266 -0.509 0.891 1.00 0.00 H new