USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 334 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1155 CYS SG : rot -78:sc= -0.239 USER MOD Set 1.2: A1158 CYS SG : rot -55:sc= 2.12 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= -0.106 USER MOD Set 1.4: A1194 CYS SG : rot 45:sc= -2.64 USER MOD Set 2.1: A1167 CYS SG : rot -29:sc= 0.873 USER MOD Set 2.2: A1170 CYS SG : rot -89:sc= 1.13 USER MOD Set 2.3: A1173 CYS SG : rot -40:sc= -0.984! USER MOD Set 2.4: A1189 CYS SG : rot 99:sc= -0.249 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A1162 GLN : amide:sc= -2.91! C(o=-2.9!,f=-2.5!) USER MOD Single : A1171 THR OG1 : rot 180:sc= 0 USER MOD Single : A1172 ASN :FLIP amide:sc= -3.56! F(o=-4.1,f=-3.6!) USER MOD Single : A1176 LYS NZ :NH3+ -173:sc= -1.57 (180deg=-1.59) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN :FLIP amide:sc= -1.52! F(o=-2.1,f=-1.5!) USER MOD Single : A1185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1187 GLN : amide:sc= -0.0846 K(o=-0.085,f=-0.63) 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 -127:sc= -0.259 (180deg=-0.97) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.057) USER MOD Single : A1196 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.747 -0.562 2.988 1.00 0.00 N ATOM 179 CA ARG A1154 11.191 0.650 2.403 1.00 0.00 C ATOM 180 C ARG A1154 11.999 1.879 2.799 1.00 0.00 C ATOM 181 O ARG A1154 12.416 2.026 3.948 1.00 0.00 O ATOM 182 CB ARG A1154 9.731 0.820 2.828 1.00 0.00 C ATOM 183 CG ARG A1154 8.909 -0.456 2.706 1.00 0.00 C ATOM 184 CD ARG A1154 8.164 -0.770 3.994 1.00 0.00 C ATOM 185 NE ARG A1154 6.848 -1.350 3.738 1.00 0.00 N ATOM 186 CZ ARG A1154 6.037 -1.800 4.693 1.00 0.00 C ATOM 187 NH1 ARG A1154 6.403 -1.737 5.967 1.00 0.00 N ATOM 188 NH2 ARG A1154 4.857 -2.314 4.374 1.00 0.00 N ATOM 0 HA ARG A1154 11.239 0.551 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.700 1.165 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.272 1.598 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.195 -0.352 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.565 -1.289 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A1154 8.754 -1.462 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A1154 8.050 0.143 4.579 1.00 0.00 H new ATOM 0 HE ARG A1154 6.532 -1.414 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A1154 7.309 -1.342 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A1154 5.778 -2.083 6.695 1.00 0.00 H new ATOM 0 HH21 ARG A1154 4.570 -2.365 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A1154 4.236 -2.659 5.106 1.00 0.00 H new ATOM 202 N CYS A1155 12.218 2.753 1.827 1.00 0.00 N ATOM 203 CA CYS A1155 12.980 3.977 2.035 1.00 0.00 C ATOM 204 C CYS A1155 12.379 4.840 3.143 1.00 0.00 C ATOM 205 O CYS A1155 13.073 5.231 4.081 1.00 0.00 O ATOM 206 CB CYS A1155 13.047 4.771 0.730 1.00 0.00 C ATOM 207 SG CYS A1155 11.436 5.092 -0.027 1.00 0.00 S ATOM 0 H CYS A1155 11.874 2.635 0.874 1.00 0.00 H new ATOM 0 HA CYS A1155 13.986 3.696 2.347 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.542 5.723 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.668 4.227 0.018 1.00 0.00 H new ATOM 0 HG CYS A1155 11.020 4.020 -0.633 1.00 0.00 H new ATOM 213 N GLY A1156 11.092 5.135 3.025 1.00 0.00 N ATOM 214 CA GLY A1156 10.424 5.954 4.021 1.00 0.00 C ATOM 215 C GLY A1156 10.296 7.408 3.600 1.00 0.00 C ATOM 216 O GLY A1156 10.141 8.289 4.447 1.00 0.00 O ATOM 0 H GLY A1156 10.497 4.823 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.431 5.547 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.977 5.900 4.959 1.00 0.00 H new ATOM 220 N GLN A1157 10.368 7.669 2.295 1.00 0.00 N ATOM 221 CA GLN A1157 10.266 9.036 1.788 1.00 0.00 C ATOM 222 C GLN A1157 9.762 9.064 0.346 1.00 0.00 C ATOM 223 O GLN A1157 10.048 10.000 -0.401 1.00 0.00 O ATOM 224 CB GLN A1157 11.623 9.735 1.878 1.00 0.00 C ATOM 225 CG GLN A1157 12.159 9.846 3.296 1.00 0.00 C ATOM 226 CD GLN A1157 13.415 10.692 3.380 1.00 0.00 C ATOM 227 OE1 GLN A1157 14.347 10.519 2.595 1.00 0.00 O ATOM 228 NE2 GLN A1157 13.445 11.613 4.337 1.00 0.00 N ATOM 0 H GLN A1157 10.496 6.958 1.575 1.00 0.00 H new ATOM 0 HA GLN A1157 9.543 9.566 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.344 9.190 1.268 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.536 10.735 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.391 10.278 3.938 1.00 0.00 H new ATOM 0 HG3 GLN A1157 12.371 8.848 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A1157 12.649 11.721 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A1157 14.264 12.212 4.443 1.00 0.00 H new ATOM 237 N CYS A1158 9.003 8.042 -0.035 1.00 0.00 N ATOM 238 CA CYS A1158 8.450 7.961 -1.385 1.00 0.00 C ATOM 239 C CYS A1158 6.933 8.118 -1.341 1.00 0.00 C ATOM 240 O CYS A1158 6.342 8.196 -0.262 1.00 0.00 O ATOM 241 CB CYS A1158 8.831 6.630 -2.039 1.00 0.00 C ATOM 242 SG CYS A1158 8.126 5.189 -1.218 1.00 0.00 S ATOM 0 H CYS A1158 8.756 7.259 0.570 1.00 0.00 H new ATOM 0 HA CYS A1158 8.868 8.770 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.505 6.640 -3.079 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.917 6.537 -2.047 1.00 0.00 H new ATOM 0 HG CYS A1158 8.451 5.204 0.041 1.00 0.00 H new ATOM 248 N PRO A1159 6.279 8.174 -2.509 1.00 0.00 N ATOM 249 CA PRO A1159 4.825 8.333 -2.592 1.00 0.00 C ATOM 250 C PRO A1159 4.079 7.264 -1.799 1.00 0.00 C ATOM 251 O PRO A1159 2.992 7.512 -1.283 1.00 0.00 O ATOM 252 CB PRO A1159 4.544 8.208 -4.094 1.00 0.00 C ATOM 253 CG PRO A1159 5.823 8.626 -4.735 1.00 0.00 C ATOM 254 CD PRO A1159 6.898 8.093 -3.842 1.00 0.00 C ATOM 0 HA PRO A1159 4.486 9.277 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.276 7.187 -4.366 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.716 8.848 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.910 8.220 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.884 9.711 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.170 7.070 -4.101 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.808 8.690 -3.903 1.00 0.00 H new ATOM 262 N GLY A1160 4.674 6.081 -1.700 1.00 0.00 N ATOM 263 CA GLY A1160 4.056 4.996 -0.957 1.00 0.00 C ATOM 264 C GLY A1160 4.217 5.141 0.545 1.00 0.00 C ATOM 265 O GLY A1160 3.246 5.062 1.297 1.00 0.00 O ATOM 0 H GLY A1160 5.574 5.852 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.994 4.954 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.494 4.050 -1.274 1.00 0.00 H new ATOM 269 N CYS A1161 5.457 5.336 0.974 1.00 0.00 N ATOM 270 CA CYS A1161 5.787 5.473 2.384 1.00 0.00 C ATOM 271 C CYS A1161 5.119 6.690 3.019 1.00 0.00 C ATOM 272 O CYS A1161 4.926 6.734 4.235 1.00 0.00 O ATOM 273 CB CYS A1161 7.304 5.573 2.534 1.00 0.00 C ATOM 274 SG CYS A1161 8.186 4.046 2.139 1.00 0.00 S ATOM 0 H CYS A1161 6.263 5.404 0.352 1.00 0.00 H new ATOM 0 HA CYS A1161 5.411 4.593 2.905 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.671 6.370 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.539 5.861 3.559 1.00 0.00 H new ATOM 0 HG CYS A1161 8.853 3.648 3.182 1.00 0.00 H new ATOM 279 N GLN A1162 4.783 7.684 2.204 1.00 0.00 N ATOM 280 CA GLN A1162 4.159 8.903 2.713 1.00 0.00 C ATOM 281 C GLN A1162 2.641 8.776 2.838 1.00 0.00 C ATOM 282 O GLN A1162 1.970 9.738 3.207 1.00 0.00 O ATOM 283 CB GLN A1162 4.505 10.091 1.818 1.00 0.00 C ATOM 284 CG GLN A1162 3.852 10.037 0.448 1.00 0.00 C ATOM 285 CD GLN A1162 4.510 10.982 -0.539 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.844 11.803 -1.169 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.827 10.868 -0.676 1.00 0.00 N ATOM 0 H GLN A1162 4.930 7.672 1.195 1.00 0.00 H new ATOM 0 HA GLN A1162 4.558 9.067 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.203 11.011 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.587 10.137 1.693 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.904 9.019 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.796 10.289 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.338 10.172 -0.132 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.327 11.476 -1.325 1.00 0.00 H new ATOM 296 N VAL A1163 2.095 7.601 2.529 1.00 0.00 N ATOM 297 CA VAL A1163 0.652 7.402 2.622 1.00 0.00 C ATOM 298 C VAL A1163 0.276 6.567 3.844 1.00 0.00 C ATOM 299 O VAL A1163 0.293 5.337 3.793 1.00 0.00 O ATOM 300 CB VAL A1163 0.078 6.718 1.367 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.438 6.729 1.414 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.568 7.402 0.105 1.00 0.00 C ATOM 0 H VAL A1163 2.621 6.785 2.217 1.00 0.00 H new ATOM 0 HA VAL A1163 0.221 8.399 2.713 1.00 0.00 H new ATOM 0 HB VAL A1163 0.426 5.685 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.833 6.243 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.778 6.193 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.793 7.759 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.149 6.900 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.252 8.445 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.656 7.353 0.064 1.00 0.00 H new ATOM 312 N PRO A1164 -0.083 7.226 4.960 1.00 0.00 N ATOM 313 CA PRO A1164 -0.478 6.541 6.188 1.00 0.00 C ATOM 314 C PRO A1164 -1.951 6.138 6.176 1.00 0.00 C ATOM 315 O PRO A1164 -2.449 5.541 7.130 1.00 0.00 O ATOM 316 CB PRO A1164 -0.228 7.605 7.252 1.00 0.00 C ATOM 317 CG PRO A1164 -0.524 8.891 6.557 1.00 0.00 C ATOM 318 CD PRO A1164 -0.144 8.692 5.110 1.00 0.00 C ATOM 0 HA PRO A1164 0.068 5.611 6.344 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.874 7.462 8.118 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.800 7.574 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.579 9.148 6.649 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.044 9.710 6.998 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.881 9.132 4.439 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.814 9.158 4.880 1.00 0.00 H new ATOM 326 N GLU A1165 -2.645 6.478 5.091 1.00 0.00 N ATOM 327 CA GLU A1165 -4.061 6.160 4.958 1.00 0.00 C ATOM 328 C GLU A1165 -4.347 5.458 3.633 1.00 0.00 C ATOM 329 O GLU A1165 -3.443 5.234 2.827 1.00 0.00 O ATOM 330 CB GLU A1165 -4.893 7.438 5.051 1.00 0.00 C ATOM 331 CG GLU A1165 -4.417 8.539 4.116 1.00 0.00 C ATOM 332 CD GLU A1165 -5.563 9.336 3.522 1.00 0.00 C ATOM 333 OE1 GLU A1165 -5.977 10.336 4.144 1.00 0.00 O ATOM 334 OE2 GLU A1165 -6.046 8.958 2.433 1.00 0.00 O ATOM 0 H GLU A1165 -2.248 6.973 4.293 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.333 5.485 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.933 7.203 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.866 7.806 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.755 9.212 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -3.830 8.098 3.310 1.00 0.00 H new ATOM 341 N ASP A1166 -5.614 5.119 3.415 1.00 0.00 N ATOM 342 CA ASP A1166 -6.036 4.450 2.196 1.00 0.00 C ATOM 343 C ASP A1166 -6.570 5.465 1.191 1.00 0.00 C ATOM 344 O ASP A1166 -7.527 6.180 1.485 1.00 0.00 O ATOM 345 CB ASP A1166 -7.116 3.427 2.538 1.00 0.00 C ATOM 346 CG ASP A1166 -6.582 2.298 3.397 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.599 1.651 2.982 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.146 2.066 4.487 1.00 0.00 O ATOM 0 H ASP A1166 -6.370 5.300 4.075 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.182 3.943 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.933 3.924 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.530 3.016 1.617 1.00 0.00 H new ATOM 353 N CYS A1167 -5.959 5.540 0.001 1.00 0.00 N ATOM 354 CA CYS A1167 -6.413 6.486 -1.008 1.00 0.00 C ATOM 355 C CYS A1167 -7.921 6.368 -1.193 1.00 0.00 C ATOM 356 O CYS A1167 -8.630 7.373 -1.245 1.00 0.00 O ATOM 357 CB CYS A1167 -5.678 6.267 -2.328 1.00 0.00 C ATOM 358 SG CYS A1167 -6.027 4.691 -3.129 1.00 0.00 S ATOM 0 H CYS A1167 -5.164 4.965 -0.277 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.185 7.496 -0.668 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.940 7.073 -3.013 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.605 6.338 -2.148 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.329 3.804 -2.228 1.00 0.00 H new ATOM 364 N GLY A1168 -8.414 5.132 -1.240 1.00 0.00 N ATOM 365 CA GLY A1168 -9.842 4.923 -1.357 1.00 0.00 C ATOM 366 C GLY A1168 -10.350 4.802 -2.768 1.00 0.00 C ATOM 367 O GLY A1168 -11.531 5.040 -3.020 1.00 0.00 O ATOM 0 H GLY A1168 -7.853 4.281 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.108 4.018 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.357 5.751 -0.870 1.00 0.00 H new ATOM 371 N VAL A1169 -9.477 4.477 -3.701 1.00 0.00 N ATOM 372 CA VAL A1169 -9.897 4.387 -5.084 1.00 0.00 C ATOM 373 C VAL A1169 -9.189 3.281 -5.865 1.00 0.00 C ATOM 374 O VAL A1169 -9.561 2.991 -7.002 1.00 0.00 O ATOM 375 CB VAL A1169 -9.686 5.746 -5.744 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.490 6.794 -4.981 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.207 6.092 -5.741 1.00 0.00 C ATOM 0 H VAL A1169 -8.492 4.275 -3.532 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.953 4.116 -5.097 1.00 0.00 H new ATOM 0 HB VAL A1169 -10.027 5.720 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.347 7.770 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.548 6.531 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.151 6.830 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -8.060 7.063 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.844 6.129 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.654 5.332 -6.294 1.00 0.00 H new ATOM 387 N CYS A1170 -8.201 2.634 -5.253 1.00 0.00 N ATOM 388 CA CYS A1170 -7.510 1.537 -5.914 1.00 0.00 C ATOM 389 C CYS A1170 -8.191 0.230 -5.531 1.00 0.00 C ATOM 390 O CYS A1170 -8.887 0.168 -4.525 1.00 0.00 O ATOM 391 CB CYS A1170 -6.022 1.510 -5.549 1.00 0.00 C ATOM 392 SG CYS A1170 -5.682 1.252 -3.796 1.00 0.00 S ATOM 0 H CYS A1170 -7.866 2.848 -4.314 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.566 1.677 -6.994 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.536 0.719 -6.120 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.568 2.452 -5.859 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.641 2.401 -3.188 1.00 0.00 H new ATOM 398 N THR A1171 -8.024 -0.804 -6.340 1.00 0.00 N ATOM 399 CA THR A1171 -8.676 -2.092 -6.069 1.00 0.00 C ATOM 400 C THR A1171 -8.522 -2.518 -4.605 1.00 0.00 C ATOM 401 O THR A1171 -9.467 -3.010 -3.986 1.00 0.00 O ATOM 402 CB THR A1171 -8.135 -3.202 -6.992 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.502 -4.225 -6.243 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.138 -2.718 -8.023 1.00 0.00 C ATOM 0 H THR A1171 -7.450 -0.786 -7.183 1.00 0.00 H new ATOM 0 HA THR A1171 -9.737 -1.948 -6.273 1.00 0.00 H new ATOM 0 HB THR A1171 -9.017 -3.574 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.169 -4.918 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.806 -3.559 -8.631 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.609 -1.971 -8.662 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.280 -2.274 -7.519 1.00 0.00 H new ATOM 412 N ASN A1172 -7.326 -2.334 -4.069 1.00 0.00 N ATOM 413 CA ASN A1172 -7.030 -2.712 -2.691 1.00 0.00 C ATOM 414 C ASN A1172 -7.854 -1.919 -1.682 1.00 0.00 C ATOM 415 O ASN A1172 -8.453 -2.487 -0.769 1.00 0.00 O ATOM 416 CB ASN A1172 -5.545 -2.507 -2.413 1.00 0.00 C ATOM 417 CG ASN A1172 -4.665 -3.223 -3.419 1.00 0.00 C ATOM 418 OD1 ASN A1172 -3.615 -2.548 -3.873 1.00 0.00 O flip ATOM 419 ND2 ASN A1172 -4.925 -4.369 -3.786 1.00 0.00 N flip ATOM 0 H ASN A1172 -6.538 -1.923 -4.569 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.296 -3.763 -2.576 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.319 -1.441 -2.430 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.313 -2.866 -1.410 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -5.742 -4.851 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -4.323 -4.836 -4.464 1.00 0.00 H new ATOM 426 N CYS A1173 -7.873 -0.606 -1.847 1.00 0.00 N ATOM 427 CA CYS A1173 -8.615 0.271 -0.951 1.00 0.00 C ATOM 428 C CYS A1173 -10.099 0.062 -1.139 1.00 0.00 C ATOM 429 O CYS A1173 -10.842 -0.125 -0.185 1.00 0.00 O ATOM 430 CB CYS A1173 -8.247 1.726 -1.216 1.00 0.00 C ATOM 431 SG CYS A1173 -6.637 2.192 -0.547 1.00 0.00 S ATOM 0 H CYS A1173 -7.381 -0.121 -2.597 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.354 0.029 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.250 1.904 -2.291 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -9.012 2.371 -0.784 1.00 0.00 H new ATOM 0 HG CYS A1173 -6.477 1.644 0.621 1.00 0.00 H new ATOM 436 N LEU A1174 -10.517 0.071 -2.386 1.00 0.00 N ATOM 437 CA LEU A1174 -11.905 -0.144 -2.723 1.00 0.00 C ATOM 438 C LEU A1174 -12.349 -1.510 -2.226 1.00 0.00 C ATOM 439 O LEU A1174 -13.530 -1.740 -1.964 1.00 0.00 O ATOM 440 CB LEU A1174 -12.074 -0.003 -4.226 1.00 0.00 C ATOM 441 CG LEU A1174 -11.566 1.327 -4.761 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.615 1.352 -6.279 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.374 2.462 -4.150 1.00 0.00 C ATOM 0 H LEU A1174 -9.908 0.227 -3.189 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.536 0.600 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.543 -0.815 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.129 -0.111 -4.479 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.522 1.457 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.247 2.313 -6.639 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.990 0.552 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.643 1.209 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -12.010 3.415 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.425 2.343 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.267 2.442 -3.065 1.00 0.00 H new ATOM 455 N ASP A1175 -11.377 -2.403 -2.064 1.00 0.00 N ATOM 456 CA ASP A1175 -11.639 -3.736 -1.558 1.00 0.00 C ATOM 457 C ASP A1175 -12.059 -3.666 -0.082 1.00 0.00 C ATOM 458 O ASP A1175 -12.576 -4.638 0.469 1.00 0.00 O ATOM 459 CB ASP A1175 -10.387 -4.608 -1.743 1.00 0.00 C ATOM 460 CG ASP A1175 -10.015 -5.407 -0.507 1.00 0.00 C ATOM 461 OD1 ASP A1175 -10.748 -6.363 -0.175 1.00 0.00 O ATOM 462 OD2 ASP A1175 -8.993 -5.075 0.125 1.00 0.00 O ATOM 0 H ASP A1175 -10.397 -2.221 -2.279 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.459 -4.188 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -10.552 -5.295 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -9.548 -3.970 -2.019 1.00 0.00 H new ATOM 467 N LYS A1176 -11.843 -2.506 0.549 1.00 0.00 N ATOM 468 CA LYS A1176 -12.208 -2.312 1.950 1.00 0.00 C ATOM 469 C LYS A1176 -13.703 -2.039 2.084 1.00 0.00 C ATOM 470 O LYS A1176 -14.328 -1.514 1.166 1.00 0.00 O ATOM 471 CB LYS A1176 -11.417 -1.147 2.542 1.00 0.00 C ATOM 472 CG LYS A1176 -10.038 -1.538 3.047 1.00 0.00 C ATOM 473 CD LYS A1176 -8.946 -0.821 2.272 1.00 0.00 C ATOM 474 CE LYS A1176 -7.755 -0.504 3.155 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.148 -1.734 3.736 1.00 0.00 N ATOM 0 H LYS A1176 -11.417 -1.690 0.109 1.00 0.00 H new ATOM 0 HA LYS A1176 -11.969 -3.225 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.310 -0.370 1.785 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.986 -0.714 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -9.954 -1.297 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.906 -2.616 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -8.625 -1.441 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.344 0.102 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.004 0.031 2.573 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -8.067 0.161 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.415 -1.468 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -7.884 -2.292 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -6.720 -2.302 2.977 1.00 0.00 H new ATOM 489 N PRO A1177 -14.296 -2.384 3.238 1.00 0.00 N ATOM 490 CA PRO A1177 -15.725 -2.167 3.486 1.00 0.00 C ATOM 491 C PRO A1177 -16.083 -0.686 3.539 1.00 0.00 C ATOM 492 O PRO A1177 -17.222 -0.301 3.276 1.00 0.00 O ATOM 493 CB PRO A1177 -15.961 -2.825 4.849 1.00 0.00 C ATOM 494 CG PRO A1177 -14.623 -2.849 5.502 1.00 0.00 C ATOM 495 CD PRO A1177 -13.621 -3.001 4.391 1.00 0.00 C ATOM 0 HA PRO A1177 -16.342 -2.582 2.689 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.679 -2.259 5.442 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.364 -3.832 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.447 -1.932 6.063 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.549 -3.675 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.683 -2.498 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.383 -4.048 4.205 1.00 0.00 H new ATOM 503 N LYS A1178 -15.099 0.140 3.876 1.00 0.00 N ATOM 504 CA LYS A1178 -15.304 1.579 3.960 1.00 0.00 C ATOM 505 C LYS A1178 -15.328 2.209 2.571 1.00 0.00 C ATOM 506 O LYS A1178 -15.915 3.272 2.369 1.00 0.00 O ATOM 507 CB LYS A1178 -14.197 2.222 4.801 1.00 0.00 C ATOM 508 CG LYS A1178 -12.824 2.158 4.152 1.00 0.00 C ATOM 509 CD LYS A1178 -11.939 3.308 4.602 1.00 0.00 C ATOM 510 CE LYS A1178 -10.806 2.821 5.488 1.00 0.00 C ATOM 511 NZ LYS A1178 -10.137 3.942 6.205 1.00 0.00 N ATOM 0 H LYS A1178 -14.150 -0.164 4.096 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.268 1.756 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.453 3.265 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.155 1.726 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.346 1.211 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.932 2.184 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -11.528 3.816 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -12.538 4.040 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -11.195 2.107 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -10.073 2.291 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.370 3.566 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -9.743 4.611 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -10.830 4.433 6.805 1.00 0.00 H new ATOM 525 N PHE A1179 -14.671 1.553 1.618 1.00 0.00 N ATOM 526 CA PHE A1179 -14.604 2.056 0.251 1.00 0.00 C ATOM 527 C PHE A1179 -15.611 1.356 -0.662 1.00 0.00 C ATOM 528 O PHE A1179 -15.804 1.765 -1.808 1.00 0.00 O ATOM 529 CB PHE A1179 -13.185 1.893 -0.294 1.00 0.00 C ATOM 530 CG PHE A1179 -12.212 2.848 0.331 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.404 4.210 0.203 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.122 2.390 1.063 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.539 5.102 0.794 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.244 3.280 1.648 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.454 4.640 1.517 1.00 0.00 C ATOM 0 H PHE A1179 -14.178 0.673 1.768 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.864 3.114 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.848 0.871 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.195 2.045 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.243 4.579 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.961 1.328 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.707 6.164 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.395 2.915 2.207 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.773 5.340 1.978 1.00 0.00 H new ATOM 545 N GLY A1180 -16.261 0.308 -0.154 1.00 0.00 N ATOM 546 CA GLY A1180 -17.244 -0.407 -0.951 1.00 0.00 C ATOM 547 C GLY A1180 -17.005 -1.907 -0.992 1.00 0.00 C ATOM 548 O GLY A1180 -17.901 -2.672 -1.350 1.00 0.00 O ATOM 0 H GLY A1180 -16.125 -0.056 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.238 -0.215 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.232 -0.016 -1.968 1.00 0.00 H new ATOM 552 N GLY A1181 -15.799 -2.329 -0.632 1.00 0.00 N ATOM 553 CA GLY A1181 -15.475 -3.745 -0.641 1.00 0.00 C ATOM 554 C GLY A1181 -16.113 -4.502 0.508 1.00 0.00 C ATOM 555 O GLY A1181 -17.256 -4.233 0.878 1.00 0.00 O ATOM 0 H GLY A1181 -15.039 -1.717 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -15.803 -4.182 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.393 -3.866 -0.593 1.00 0.00 H new ATOM 559 N ARG A1182 -15.378 -5.461 1.069 1.00 0.00 N ATOM 560 CA ARG A1182 -15.888 -6.266 2.175 1.00 0.00 C ATOM 561 C ARG A1182 -14.771 -6.704 3.123 1.00 0.00 C ATOM 562 O ARG A1182 -14.949 -7.636 3.909 1.00 0.00 O ATOM 563 CB ARG A1182 -16.611 -7.497 1.631 1.00 0.00 C ATOM 564 CG ARG A1182 -17.762 -7.164 0.697 1.00 0.00 C ATOM 565 CD ARG A1182 -18.655 -8.370 0.458 1.00 0.00 C ATOM 566 NE ARG A1182 -18.413 -8.983 -0.847 1.00 0.00 N ATOM 567 CZ ARG A1182 -17.742 -10.120 -1.030 1.00 0.00 C ATOM 568 NH1 ARG A1182 -17.229 -10.776 0.005 1.00 0.00 N ATOM 569 NH2 ARG A1182 -17.579 -10.602 -2.254 1.00 0.00 N ATOM 0 H ARG A1182 -14.430 -5.698 0.776 1.00 0.00 H new ATOM 0 HA ARG A1182 -16.583 -5.646 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.894 -8.124 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.991 -8.084 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -18.352 -6.352 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.368 -6.808 -0.255 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.485 -9.108 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -19.700 -8.067 0.528 1.00 0.00 H new ATOM 0 HE ARG A1182 -18.782 -8.509 -1.672 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -17.347 -10.410 0.950 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -16.717 -11.645 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -17.967 -10.103 -3.055 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -17.066 -11.472 -2.395 1.00 0.00 H new ATOM 583 N ASN A1183 -13.621 -6.039 3.049 1.00 0.00 N ATOM 584 CA ASN A1183 -12.487 -6.381 3.905 1.00 0.00 C ATOM 585 C ASN A1183 -12.067 -7.835 3.705 1.00 0.00 C ATOM 586 O ASN A1183 -11.398 -8.419 4.557 1.00 0.00 O ATOM 587 CB ASN A1183 -12.839 -6.149 5.377 1.00 0.00 C ATOM 588 CG ASN A1183 -11.661 -5.630 6.179 1.00 0.00 C ATOM 589 OD1 ASN A1183 -11.770 -4.399 6.663 1.00 0.00 O flip ATOM 590 ND2 ASN A1183 -10.664 -6.328 6.361 1.00 0.00 N flip ATOM 0 H ASN A1183 -13.449 -5.264 2.409 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.654 -5.735 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.662 -5.437 5.443 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -13.190 -7.083 5.815 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -10.622 -7.269 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -9.879 -5.965 6.902 1.00 0.00 H new ATOM 597 N ILE A1184 -12.468 -8.418 2.580 1.00 0.00 N ATOM 598 CA ILE A1184 -12.140 -9.804 2.276 1.00 0.00 C ATOM 599 C ILE A1184 -10.793 -9.916 1.574 1.00 0.00 C ATOM 600 O ILE A1184 -9.973 -10.768 1.914 1.00 0.00 O ATOM 601 CB ILE A1184 -13.239 -10.450 1.411 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.263 -9.837 0.008 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.583 -10.266 2.087 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.362 -10.391 -0.875 1.00 0.00 C ATOM 0 H ILE A1184 -13.022 -7.950 1.863 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.077 -10.338 3.224 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.025 -11.514 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.386 -8.757 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.300 -10.010 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.363 -10.722 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.565 -10.741 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.789 -9.202 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.319 -9.912 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.228 -11.466 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.331 -10.194 -0.417 1.00 0.00 H new ATOM 616 N LYS A1185 -10.571 -9.046 0.597 1.00 0.00 N ATOM 617 CA LYS A1185 -9.323 -9.044 -0.149 1.00 0.00 C ATOM 618 C LYS A1185 -8.248 -8.274 0.608 1.00 0.00 C ATOM 619 O LYS A1185 -7.062 -8.577 0.491 1.00 0.00 O ATOM 620 CB LYS A1185 -9.531 -8.428 -1.535 1.00 0.00 C ATOM 621 CG LYS A1185 -8.963 -9.268 -2.667 1.00 0.00 C ATOM 622 CD LYS A1185 -7.482 -8.989 -2.878 1.00 0.00 C ATOM 623 CE LYS A1185 -6.941 -9.737 -4.085 1.00 0.00 C ATOM 624 NZ LYS A1185 -6.827 -8.855 -5.279 1.00 0.00 N ATOM 0 H LYS A1185 -11.240 -8.334 0.304 1.00 0.00 H new ATOM 0 HA LYS A1185 -8.994 -10.076 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.598 -8.283 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.068 -7.442 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -9.107 -10.325 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -9.509 -9.058 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -7.328 -7.918 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -6.925 -9.281 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -5.962 -10.153 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -7.596 -10.577 -4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -6.454 -9.403 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -7.765 -8.478 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -6.182 -8.067 -5.068 1.00 0.00 H new ATOM 638 N LYS A1186 -8.684 -7.276 1.387 1.00 0.00 N ATOM 639 CA LYS A1186 -7.778 -6.433 2.184 1.00 0.00 C ATOM 640 C LYS A1186 -6.323 -6.553 1.722 1.00 0.00 C ATOM 641 O LYS A1186 -5.558 -7.353 2.261 1.00 0.00 O ATOM 642 CB LYS A1186 -7.884 -6.801 3.666 1.00 0.00 C ATOM 643 CG LYS A1186 -7.976 -5.594 4.585 1.00 0.00 C ATOM 644 CD LYS A1186 -6.701 -5.405 5.389 1.00 0.00 C ATOM 645 CE LYS A1186 -6.477 -3.944 5.734 1.00 0.00 C ATOM 646 NZ LYS A1186 -5.615 -3.782 6.938 1.00 0.00 N ATOM 0 H LYS A1186 -9.669 -7.029 1.484 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.086 -5.398 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -8.763 -7.429 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.016 -7.397 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -8.170 -4.699 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.820 -5.716 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -6.756 -5.993 6.305 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -5.851 -5.781 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -6.015 -3.438 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -7.438 -3.461 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -5.487 -2.770 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -6.067 -4.243 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.688 -4.220 6.763 1.00 0.00 H new ATOM 660 N GLN A1187 -5.949 -5.762 0.718 1.00 0.00 N ATOM 661 CA GLN A1187 -4.590 -5.799 0.188 1.00 0.00 C ATOM 662 C GLN A1187 -3.856 -4.491 0.462 1.00 0.00 C ATOM 663 O GLN A1187 -4.447 -3.521 0.936 1.00 0.00 O ATOM 664 CB GLN A1187 -4.617 -6.071 -1.316 1.00 0.00 C ATOM 665 CG GLN A1187 -5.206 -7.424 -1.683 1.00 0.00 C ATOM 666 CD GLN A1187 -4.357 -8.582 -1.195 1.00 0.00 C ATOM 667 OE1 GLN A1187 -3.550 -9.133 -1.944 1.00 0.00 O ATOM 668 NE2 GLN A1187 -4.536 -8.957 0.066 1.00 0.00 N ATOM 0 H GLN A1187 -6.565 -5.092 0.258 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.056 -6.605 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -5.195 -5.288 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.601 -6.009 -1.706 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.206 -7.508 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -5.313 -7.488 -2.766 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.216 -8.471 0.651 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -3.993 -9.731 0.450 1.00 0.00 H new ATOM 677 N CYS A1188 -2.562 -4.474 0.154 1.00 0.00 N ATOM 678 CA CYS A1188 -1.742 -3.286 0.359 1.00 0.00 C ATOM 679 C CYS A1188 -2.118 -2.195 -0.636 1.00 0.00 C ATOM 680 O CYS A1188 -2.031 -2.392 -1.849 1.00 0.00 O ATOM 681 CB CYS A1188 -0.259 -3.633 0.220 1.00 0.00 C ATOM 682 SG CYS A1188 0.551 -4.053 1.780 1.00 0.00 S ATOM 0 H CYS A1188 -2.060 -5.270 -0.238 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.925 -2.915 1.367 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.156 -4.473 -0.468 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.260 -2.787 -0.230 1.00 0.00 H new ATOM 0 HG CYS A1188 1.801 -4.333 1.558 1.00 0.00 H new ATOM 688 N CYS A1189 -2.539 -1.047 -0.118 1.00 0.00 N ATOM 689 CA CYS A1189 -2.935 0.079 -0.960 1.00 0.00 C ATOM 690 C CYS A1189 -1.896 0.353 -2.047 1.00 0.00 C ATOM 691 O CYS A1189 -0.701 0.463 -1.772 1.00 0.00 O ATOM 692 CB CYS A1189 -3.148 1.327 -0.101 1.00 0.00 C ATOM 693 SG CYS A1189 -3.248 2.873 -1.034 1.00 0.00 S ATOM 0 H CYS A1189 -2.616 -0.870 0.884 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.872 -0.180 -1.453 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.066 1.204 0.474 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.331 1.403 0.616 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.495 3.208 -1.186 1.00 0.00 H new ATOM 698 N LYS A1190 -2.373 0.460 -3.281 1.00 0.00 N ATOM 699 CA LYS A1190 -1.514 0.718 -4.430 1.00 0.00 C ATOM 700 C LYS A1190 -0.680 1.986 -4.238 1.00 0.00 C ATOM 701 O LYS A1190 0.497 2.019 -4.598 1.00 0.00 O ATOM 702 CB LYS A1190 -2.367 0.840 -5.695 1.00 0.00 C ATOM 703 CG LYS A1190 -3.173 -0.410 -6.007 1.00 0.00 C ATOM 704 CD LYS A1190 -3.558 -0.469 -7.476 1.00 0.00 C ATOM 705 CE LYS A1190 -3.882 -1.889 -7.912 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.712 -2.557 -8.545 1.00 0.00 N ATOM 0 H LYS A1190 -3.362 0.371 -3.513 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.825 -0.120 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -3.048 1.683 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.717 1.064 -6.541 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.592 -1.294 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.073 -0.427 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.421 0.173 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.741 -0.079 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.207 -2.469 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.714 -1.872 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -2.975 -3.523 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.417 -2.019 -9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -1.926 -2.597 -7.866 1.00 0.00 H new ATOM 720 N MET A1191 -1.290 3.028 -3.677 1.00 0.00 N ATOM 721 CA MET A1191 -0.592 4.288 -3.452 1.00 0.00 C ATOM 722 C MET A1191 0.299 4.220 -2.214 1.00 0.00 C ATOM 723 O MET A1191 1.158 5.074 -2.019 1.00 0.00 O ATOM 724 CB MET A1191 -1.597 5.430 -3.302 1.00 0.00 C ATOM 725 CG MET A1191 -2.589 5.522 -4.449 1.00 0.00 C ATOM 726 SD MET A1191 -2.011 6.590 -5.782 1.00 0.00 S ATOM 727 CE MET A1191 -1.989 8.180 -4.958 1.00 0.00 C ATOM 0 H MET A1191 -2.263 3.023 -3.371 1.00 0.00 H new ATOM 0 HA MET A1191 0.043 4.474 -4.319 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.145 5.301 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.055 6.372 -3.225 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.776 4.523 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.540 5.899 -4.073 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.560 8.901 -5.543 1.00 0.00 H new ATOM 0 HE2 MET A1191 -2.433 8.083 -3.967 1.00 0.00 H new ATOM 0 HE3 MET A1191 -0.960 8.526 -4.862 1.00 0.00 H new ATOM 737 N ARG A1192 0.082 3.206 -1.379 1.00 0.00 N ATOM 738 CA ARG A1192 0.861 3.036 -0.157 1.00 0.00 C ATOM 739 C ARG A1192 2.110 2.204 -0.404 1.00 0.00 C ATOM 740 O ARG A1192 3.140 2.400 0.239 1.00 0.00 O ATOM 741 CB ARG A1192 0.009 2.356 0.904 1.00 0.00 C ATOM 742 CG ARG A1192 -0.958 3.297 1.594 1.00 0.00 C ATOM 743 CD ARG A1192 -1.840 2.567 2.595 1.00 0.00 C ATOM 744 NE ARG A1192 -1.637 3.048 3.956 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.230 2.518 5.024 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.067 1.498 4.889 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.985 3.009 6.230 1.00 0.00 N ATOM 0 H ARG A1192 -0.628 2.489 -1.528 1.00 0.00 H new ATOM 0 HA ARG A1192 1.168 4.025 0.184 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.553 1.544 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.663 1.907 1.651 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.400 4.081 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.584 3.787 0.848 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.886 2.696 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.628 1.499 2.553 1.00 0.00 H new ATOM 0 HE ARG A1192 -1.005 3.836 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.259 1.115 3.963 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.518 1.096 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.342 3.793 6.340 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.439 2.603 7.048 1.00 0.00 H new ATOM 761 N LYS A1193 2.001 1.266 -1.331 1.00 0.00 N ATOM 762 CA LYS A1193 3.113 0.381 -1.661 1.00 0.00 C ATOM 763 C LYS A1193 4.364 1.183 -2.009 1.00 0.00 C ATOM 764 O LYS A1193 4.368 1.972 -2.955 1.00 0.00 O ATOM 765 CB LYS A1193 2.737 -0.534 -2.829 1.00 0.00 C ATOM 766 CG LYS A1193 2.317 -1.930 -2.399 1.00 0.00 C ATOM 767 CD LYS A1193 2.929 -2.998 -3.292 1.00 0.00 C ATOM 768 CE LYS A1193 2.365 -4.375 -2.981 1.00 0.00 C ATOM 769 NZ LYS A1193 3.244 -5.141 -2.053 1.00 0.00 N ATOM 0 H LYS A1193 1.153 1.095 -1.871 1.00 0.00 H new ATOM 0 HA LYS A1193 3.328 -0.231 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A1193 1.923 -0.076 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.587 -0.612 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.621 -2.100 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A1193 1.230 -2.009 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A1193 2.738 -2.753 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A1193 4.011 -3.008 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A1193 1.375 -4.270 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A1193 2.242 -4.934 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 2.823 -6.074 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 4.182 -5.264 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 3.341 -4.620 -1.158 1.00 0.00 H new ATOM 783 N CYS A1194 5.417 0.981 -1.225 1.00 0.00 N ATOM 784 CA CYS A1194 6.678 1.686 -1.427 1.00 0.00 C ATOM 785 C CYS A1194 7.218 1.478 -2.839 1.00 0.00 C ATOM 786 O CYS A1194 7.020 0.429 -3.453 1.00 0.00 O ATOM 787 CB CYS A1194 7.712 1.236 -0.393 1.00 0.00 C ATOM 788 SG CYS A1194 9.360 1.938 -0.643 1.00 0.00 S ATOM 0 H CYS A1194 5.422 0.331 -0.439 1.00 0.00 H new ATOM 0 HA CYS A1194 6.485 2.751 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.359 1.510 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.784 0.149 -0.417 1.00 0.00 H new ATOM 0 HG CYS A1194 9.257 3.209 -0.894 1.00 0.00 H new ATOM 793 N GLN A1195 7.890 2.505 -3.345 1.00 0.00 N ATOM 794 CA GLN A1195 8.462 2.488 -4.681 1.00 0.00 C ATOM 795 C GLN A1195 9.967 2.235 -4.646 1.00 0.00 C ATOM 796 O GLN A1195 10.533 1.677 -5.586 1.00 0.00 O ATOM 797 CB GLN A1195 8.186 3.829 -5.358 1.00 0.00 C ATOM 798 CG GLN A1195 6.869 3.870 -6.109 1.00 0.00 C ATOM 799 CD GLN A1195 6.677 5.158 -6.883 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.537 5.560 -7.667 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.543 5.816 -6.667 1.00 0.00 N ATOM 0 H GLN A1195 8.053 3.374 -2.837 1.00 0.00 H new ATOM 0 HA GLN A1195 8.000 1.675 -5.241 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.189 4.615 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.997 4.050 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.822 3.027 -6.798 1.00 0.00 H new ATOM 0 HG3 GLN A1195 6.048 3.750 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A1195 4.857 5.447 -6.008 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.359 6.690 -7.160 1.00 0.00 H new ATOM 810 N ASN A1196 10.614 2.666 -3.566 1.00 0.00 N ATOM 811 CA ASN A1196 12.055 2.501 -3.425 1.00 0.00 C ATOM 812 C ASN A1196 12.412 1.894 -2.074 1.00 0.00 C ATOM 813 O ASN A1196 12.157 2.483 -1.025 1.00 0.00 O ATOM 814 CB ASN A1196 12.752 3.855 -3.610 1.00 0.00 C ATOM 815 CG ASN A1196 14.182 3.864 -3.105 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.991 3.013 -3.474 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.498 4.834 -2.255 1.00 0.00 N ATOM 0 H ASN A1196 10.163 3.131 -2.778 1.00 0.00 H new ATOM 0 HA ASN A1196 12.401 1.813 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.745 4.118 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.184 4.624 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.445 4.895 -1.880 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.794 5.518 -1.977 1.00 0.00 H new ATOM 824 N LEU A1197 13.013 0.714 -2.113 1.00 0.00 N ATOM 825 CA LEU A1197 13.415 0.023 -0.899 1.00 0.00 C ATOM 826 C LEU A1197 14.847 -0.490 -1.023 1.00 0.00 C ATOM 827 O LEU A1197 15.348 -0.696 -2.129 1.00 0.00 O ATOM 828 CB LEU A1197 12.476 -1.153 -0.623 1.00 0.00 C ATOM 829 CG LEU A1197 11.026 -0.973 -1.086 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.697 -1.936 -2.209 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.066 -1.184 0.067 1.00 0.00 C ATOM 0 H LEU A1197 13.233 0.215 -2.975 1.00 0.00 H new ATOM 0 HA LEU A1197 13.361 0.731 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.884 -2.040 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.473 -1.347 0.450 1.00 0.00 H new ATOM 0 HG LEU A1197 10.917 0.047 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.663 -1.791 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.361 -1.751 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A1197 10.830 -2.960 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.042 -1.052 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.187 -2.193 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.277 -0.459 0.853 1.00 0.00 H new