USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 334 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1155 CYS SG : rot -90:sc= -0.279 USER MOD Set 1.2: A1158 CYS SG : rot -54:sc= 2.06 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= 0.26 USER MOD Set 1.4: A1194 CYS SG : rot 47:sc= -3.23! USER MOD Set 2.1: A1167 CYS SG : rot -30:sc= -0.156 USER MOD Set 2.2: A1170 CYS SG : rot -92:sc= 1.11 USER MOD Set 2.3: A1173 CYS SG : rot -23:sc= -0.825! USER MOD Set 2.4: A1189 CYS SG : rot 99:sc= -0.649 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -2.77! C(o=-2.8!,f=-2.3!) USER MOD Single : A1171 THR OG1 : rot 180:sc= 0 USER MOD Single : A1172 ASN : amide:sc= -3.7 K(o=-3.7,f=-4.3!) USER MOD Single : A1176 LYS NZ :NH3+ -178:sc= 1.05 (180deg=0.979) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A1185 LYS NZ :NH3+ -128:sc= 0.116 (180deg=-0.0559) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1187 GLN : amide:sc= -0.919 X(o=-0.92,f=-0.48) 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 149:sc= -0.533 (180deg=-2.25!) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.11) USER MOD Single : A1196 ASN : amide:sc= -0.858 K(o=-0.86,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 12.133 -0.676 2.765 1.00 0.00 N ATOM 179 CA ARG A1154 11.516 0.510 2.192 1.00 0.00 C ATOM 180 C ARG A1154 12.292 1.767 2.558 1.00 0.00 C ATOM 181 O ARG A1154 12.787 1.911 3.676 1.00 0.00 O ATOM 182 CB ARG A1154 10.065 0.635 2.663 1.00 0.00 C ATOM 183 CG ARG A1154 9.317 -0.690 2.683 1.00 0.00 C ATOM 184 CD ARG A1154 8.908 -1.088 4.095 1.00 0.00 C ATOM 185 NE ARG A1154 7.457 -1.171 4.244 1.00 0.00 N ATOM 186 CZ ARG A1154 6.833 -1.188 5.419 1.00 0.00 C ATOM 187 NH1 ARG A1154 7.528 -1.123 6.549 1.00 0.00 N ATOM 188 NH2 ARG A1154 5.510 -1.268 5.466 1.00 0.00 N ATOM 0 HA ARG A1154 11.532 0.404 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A1154 10.052 1.066 3.664 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.538 1.331 2.010 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.429 -0.616 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.947 -1.469 2.254 1.00 0.00 H new ATOM 0 HD2 ARG A1154 9.353 -2.052 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A1154 9.304 -0.362 4.805 1.00 0.00 H new ATOM 0 HE ARG A1154 6.889 -1.219 3.398 1.00 0.00 H new ATOM 0 HH11 ARG A1154 8.546 -1.060 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A1154 7.044 -1.136 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A1154 4.971 -1.317 4.601 1.00 0.00 H new ATOM 0 HH22 ARG A1154 5.032 -1.281 6.367 1.00 0.00 H new ATOM 202 N CYS A1155 12.393 2.668 1.594 1.00 0.00 N ATOM 203 CA CYS A1155 13.109 3.923 1.775 1.00 0.00 C ATOM 204 C CYS A1155 12.520 4.747 2.917 1.00 0.00 C ATOM 205 O CYS A1155 13.240 5.180 3.818 1.00 0.00 O ATOM 206 CB CYS A1155 13.079 4.729 0.477 1.00 0.00 C ATOM 207 SG CYS A1155 11.419 5.015 -0.183 1.00 0.00 S ATOM 0 H CYS A1155 11.983 2.552 0.667 1.00 0.00 H new ATOM 0 HA CYS A1155 14.141 3.687 2.034 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.560 5.692 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.671 4.207 -0.275 1.00 0.00 H new ATOM 0 HG CYS A1155 11.098 4.045 -0.986 1.00 0.00 H new ATOM 213 N GLY A1156 11.213 4.961 2.872 1.00 0.00 N ATOM 214 CA GLY A1156 10.551 5.734 3.906 1.00 0.00 C ATOM 215 C GLY A1156 10.362 7.192 3.522 1.00 0.00 C ATOM 216 O GLY A1156 10.206 8.050 4.390 1.00 0.00 O ATOM 0 H GLY A1156 10.597 4.613 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.578 5.290 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A1156 11.135 5.678 4.825 1.00 0.00 H new ATOM 220 N GLN A1157 10.384 7.479 2.221 1.00 0.00 N ATOM 221 CA GLN A1157 10.222 8.849 1.742 1.00 0.00 C ATOM 222 C GLN A1157 9.638 8.885 0.330 1.00 0.00 C ATOM 223 O GLN A1157 9.814 9.863 -0.397 1.00 0.00 O ATOM 224 CB GLN A1157 11.566 9.579 1.765 1.00 0.00 C ATOM 225 CG GLN A1157 12.089 9.848 3.167 1.00 0.00 C ATOM 226 CD GLN A1157 13.456 10.505 3.162 1.00 0.00 C ATOM 227 OE1 GLN A1157 13.587 11.695 3.447 1.00 0.00 O ATOM 228 NE2 GLN A1157 14.484 9.729 2.839 1.00 0.00 N ATOM 0 H GLN A1157 10.512 6.785 1.485 1.00 0.00 H new ATOM 0 HA GLN A1157 9.523 9.352 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.301 8.987 1.220 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.464 10.527 1.236 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.384 10.488 3.697 1.00 0.00 H new ATOM 0 HG3 GLN A1157 12.143 8.909 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A1157 14.330 8.747 2.610 1.00 0.00 H new ATOM 0 HE22 GLN A1157 15.428 10.115 2.820 1.00 0.00 H new ATOM 237 N CYS A1158 8.935 7.822 -0.050 1.00 0.00 N ATOM 238 CA CYS A1158 8.320 7.748 -1.372 1.00 0.00 C ATOM 239 C CYS A1158 6.802 7.867 -1.254 1.00 0.00 C ATOM 240 O CYS A1158 6.259 7.907 -0.148 1.00 0.00 O ATOM 241 CB CYS A1158 8.701 6.437 -2.069 1.00 0.00 C ATOM 242 SG CYS A1158 8.065 4.963 -1.249 1.00 0.00 S ATOM 0 H CYS A1158 8.777 7.002 0.536 1.00 0.00 H new ATOM 0 HA CYS A1158 8.690 8.577 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.329 6.460 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.787 6.369 -2.126 1.00 0.00 H new ATOM 0 HG CYS A1158 8.432 4.967 -0.002 1.00 0.00 H new ATOM 248 N PRO A1159 6.094 7.931 -2.392 1.00 0.00 N ATOM 249 CA PRO A1159 4.634 8.054 -2.407 1.00 0.00 C ATOM 250 C PRO A1159 3.952 6.951 -1.607 1.00 0.00 C ATOM 251 O PRO A1159 2.883 7.157 -1.036 1.00 0.00 O ATOM 252 CB PRO A1159 4.290 7.956 -3.897 1.00 0.00 C ATOM 253 CG PRO A1159 5.528 8.419 -4.585 1.00 0.00 C ATOM 254 CD PRO A1159 6.655 7.893 -3.752 1.00 0.00 C ATOM 0 HA PRO A1159 4.290 8.979 -1.943 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.034 6.935 -4.181 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.435 8.582 -4.151 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.579 8.037 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.560 9.507 -4.650 1.00 0.00 H new ATOM 0 HD2 PRO A1159 6.939 6.882 -4.045 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.547 8.513 -3.840 1.00 0.00 H new ATOM 262 N GLY A1160 4.580 5.782 -1.562 1.00 0.00 N ATOM 263 CA GLY A1160 4.023 4.667 -0.817 1.00 0.00 C ATOM 264 C GLY A1160 4.244 4.789 0.678 1.00 0.00 C ATOM 265 O GLY A1160 3.310 4.656 1.470 1.00 0.00 O ATOM 0 H GLY A1160 5.466 5.586 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.954 4.601 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.472 3.739 -1.171 1.00 0.00 H new ATOM 269 N CYS A1161 5.491 5.031 1.057 1.00 0.00 N ATOM 270 CA CYS A1161 5.872 5.158 2.453 1.00 0.00 C ATOM 271 C CYS A1161 5.186 6.343 3.132 1.00 0.00 C ATOM 272 O CYS A1161 5.046 6.369 4.355 1.00 0.00 O ATOM 273 CB CYS A1161 7.390 5.313 2.545 1.00 0.00 C ATOM 274 SG CYS A1161 8.307 3.822 2.097 1.00 0.00 S ATOM 0 H CYS A1161 6.266 5.145 0.404 1.00 0.00 H new ATOM 0 HA CYS A1161 5.550 4.257 2.974 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.702 6.129 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.655 5.599 3.563 1.00 0.00 H new ATOM 0 HG CYS A1161 9.028 3.436 3.107 1.00 0.00 H new ATOM 279 N GLN A1162 4.777 7.331 2.342 1.00 0.00 N ATOM 280 CA GLN A1162 4.130 8.522 2.887 1.00 0.00 C ATOM 281 C GLN A1162 2.616 8.362 3.019 1.00 0.00 C ATOM 282 O GLN A1162 1.930 9.304 3.417 1.00 0.00 O ATOM 283 CB GLN A1162 4.442 9.738 2.017 1.00 0.00 C ATOM 284 CG GLN A1162 3.728 9.730 0.675 1.00 0.00 C ATOM 285 CD GLN A1162 4.347 10.701 -0.310 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.656 11.536 -0.895 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.659 10.597 -0.497 1.00 0.00 N ATOM 0 H GLN A1162 4.881 7.332 1.327 1.00 0.00 H new ATOM 0 HA GLN A1162 4.532 8.667 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.166 10.642 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.517 9.785 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.756 8.724 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.678 9.985 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.192 9.890 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.133 11.224 -1.147 1.00 0.00 H new ATOM 296 N VAL A1163 2.088 7.189 2.683 1.00 0.00 N ATOM 297 CA VAL A1163 0.648 6.965 2.777 1.00 0.00 C ATOM 298 C VAL A1163 0.289 6.081 3.970 1.00 0.00 C ATOM 299 O VAL A1163 0.316 4.854 3.874 1.00 0.00 O ATOM 300 CB VAL A1163 0.080 6.325 1.496 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.437 6.255 1.561 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.514 7.105 0.272 1.00 0.00 C ATOM 0 H VAL A1163 2.625 6.389 2.348 1.00 0.00 H new ATOM 0 HA VAL A1163 0.200 7.950 2.912 1.00 0.00 H new ATOM 0 HB VAL A1163 0.473 5.311 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.820 5.800 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.737 5.654 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.844 7.261 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.103 6.637 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.150 8.130 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.602 7.110 0.211 1.00 0.00 H new ATOM 312 N PRO A1164 -0.063 6.696 5.113 1.00 0.00 N ATOM 313 CA PRO A1164 -0.441 5.966 6.320 1.00 0.00 C ATOM 314 C PRO A1164 -1.911 5.552 6.309 1.00 0.00 C ATOM 315 O PRO A1164 -2.397 4.930 7.253 1.00 0.00 O ATOM 316 CB PRO A1164 -0.188 6.993 7.417 1.00 0.00 C ATOM 317 CG PRO A1164 -0.512 8.297 6.773 1.00 0.00 C ATOM 318 CD PRO A1164 -0.133 8.157 5.319 1.00 0.00 C ATOM 0 HA PRO A1164 0.114 5.035 6.437 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.818 6.810 8.287 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.846 6.964 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.572 8.530 6.878 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.041 9.111 7.242 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.874 8.618 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.822 8.637 5.106 1.00 0.00 H new ATOM 326 N GLU A1165 -2.616 5.911 5.239 1.00 0.00 N ATOM 327 CA GLU A1165 -4.031 5.584 5.108 1.00 0.00 C ATOM 328 C GLU A1165 -4.331 4.969 3.745 1.00 0.00 C ATOM 329 O GLU A1165 -3.428 4.749 2.938 1.00 0.00 O ATOM 330 CB GLU A1165 -4.874 6.844 5.300 1.00 0.00 C ATOM 331 CG GLU A1165 -4.531 7.957 4.321 1.00 0.00 C ATOM 332 CD GLU A1165 -4.470 9.319 4.985 1.00 0.00 C ATOM 333 OE1 GLU A1165 -5.320 9.593 5.858 1.00 0.00 O ATOM 334 OE2 GLU A1165 -3.572 10.112 4.631 1.00 0.00 O ATOM 0 H GLU A1165 -2.229 6.429 4.450 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.282 4.853 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.928 6.587 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.739 7.211 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.570 7.741 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -5.275 7.978 3.525 1.00 0.00 H new ATOM 341 N ASP A1166 -5.608 4.702 3.494 1.00 0.00 N ATOM 342 CA ASP A1166 -6.041 4.123 2.230 1.00 0.00 C ATOM 343 C ASP A1166 -6.547 5.218 1.295 1.00 0.00 C ATOM 344 O ASP A1166 -7.488 5.934 1.634 1.00 0.00 O ATOM 345 CB ASP A1166 -7.143 3.095 2.483 1.00 0.00 C ATOM 346 CG ASP A1166 -6.589 1.730 2.840 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.701 1.241 2.111 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.044 1.150 3.849 1.00 0.00 O ATOM 0 H ASP A1166 -6.365 4.879 4.155 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.193 3.627 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.785 3.446 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.767 3.009 1.594 1.00 0.00 H new ATOM 353 N CYS A1167 -5.926 5.358 0.116 1.00 0.00 N ATOM 354 CA CYS A1167 -6.346 6.380 -0.833 1.00 0.00 C ATOM 355 C CYS A1167 -7.856 6.326 -1.025 1.00 0.00 C ATOM 356 O CYS A1167 -8.529 7.358 -1.022 1.00 0.00 O ATOM 357 CB CYS A1167 -5.615 6.213 -2.164 1.00 0.00 C ATOM 358 SG CYS A1167 -6.013 4.695 -3.051 1.00 0.00 S ATOM 0 H CYS A1167 -5.143 4.782 -0.194 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.086 7.360 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.851 7.064 -2.803 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.541 6.240 -1.980 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.319 3.762 -2.199 1.00 0.00 H new ATOM 364 N GLY A1168 -8.391 5.113 -1.142 1.00 0.00 N ATOM 365 CA GLY A1168 -9.823 4.958 -1.274 1.00 0.00 C ATOM 366 C GLY A1168 -10.324 4.913 -2.693 1.00 0.00 C ATOM 367 O GLY A1168 -11.497 5.194 -2.942 1.00 0.00 O ATOM 0 H GLY A1168 -7.860 4.242 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.123 4.040 -0.768 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.313 5.783 -0.756 1.00 0.00 H new ATOM 371 N VAL A1169 -9.452 4.605 -3.633 1.00 0.00 N ATOM 372 CA VAL A1169 -9.862 4.584 -5.024 1.00 0.00 C ATOM 373 C VAL A1169 -9.165 3.501 -5.849 1.00 0.00 C ATOM 374 O VAL A1169 -9.515 3.285 -7.009 1.00 0.00 O ATOM 375 CB VAL A1169 -9.622 5.966 -5.624 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.404 6.994 -4.814 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.136 6.285 -5.611 1.00 0.00 C ATOM 0 H VAL A1169 -8.474 4.370 -3.465 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.922 4.333 -5.055 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.963 5.990 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.241 7.987 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.467 6.754 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.064 6.976 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.972 7.273 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.770 6.271 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.599 5.540 -6.198 1.00 0.00 H new ATOM 387 N CYS A1170 -8.211 2.794 -5.250 1.00 0.00 N ATOM 388 CA CYS A1170 -7.530 1.713 -5.953 1.00 0.00 C ATOM 389 C CYS A1170 -8.246 0.403 -5.649 1.00 0.00 C ATOM 390 O CYS A1170 -8.970 0.309 -4.669 1.00 0.00 O ATOM 391 CB CYS A1170 -6.053 1.637 -5.559 1.00 0.00 C ATOM 392 SG CYS A1170 -5.759 1.274 -3.815 1.00 0.00 S ATOM 0 H CYS A1170 -7.896 2.947 -4.292 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.562 1.905 -7.025 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.568 0.870 -6.163 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.576 2.586 -5.805 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.649 2.387 -3.153 1.00 0.00 H new ATOM 398 N THR A1171 -8.076 -0.598 -6.498 1.00 0.00 N ATOM 399 CA THR A1171 -8.762 -1.885 -6.299 1.00 0.00 C ATOM 400 C THR A1171 -8.655 -2.379 -4.852 1.00 0.00 C ATOM 401 O THR A1171 -9.625 -2.880 -4.280 1.00 0.00 O ATOM 402 CB THR A1171 -8.220 -2.964 -7.258 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.631 -4.035 -6.539 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.185 -2.458 -8.237 1.00 0.00 C ATOM 0 H THR A1171 -7.479 -0.556 -7.324 1.00 0.00 H new ATOM 0 HA THR A1171 -9.815 -1.710 -6.521 1.00 0.00 H new ATOM 0 HB THR A1171 -9.095 -3.290 -7.821 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.296 -4.707 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.856 -3.278 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.621 -1.672 -8.853 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.331 -2.058 -7.690 1.00 0.00 H new ATOM 412 N ASN A1172 -7.470 -2.247 -4.277 1.00 0.00 N ATOM 413 CA ASN A1172 -7.218 -2.698 -2.912 1.00 0.00 C ATOM 414 C ASN A1172 -8.023 -1.911 -1.881 1.00 0.00 C ATOM 415 O ASN A1172 -8.667 -2.492 -1.007 1.00 0.00 O ATOM 416 CB ASN A1172 -5.730 -2.579 -2.604 1.00 0.00 C ATOM 417 CG ASN A1172 -4.873 -3.309 -3.619 1.00 0.00 C ATOM 418 OD1 ASN A1172 -5.144 -4.460 -3.965 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.833 -2.644 -4.105 1.00 0.00 N ATOM 0 H ASN A1172 -6.661 -1.829 -4.736 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.536 -3.738 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.448 -1.526 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.534 -2.981 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -3.222 -3.085 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.645 -1.692 -3.791 1.00 0.00 H new ATOM 426 N CYS A1173 -7.979 -0.593 -1.986 1.00 0.00 N ATOM 427 CA CYS A1173 -8.701 0.275 -1.065 1.00 0.00 C ATOM 428 C CYS A1173 -10.188 0.128 -1.284 1.00 0.00 C ATOM 429 O CYS A1173 -10.953 -0.063 -0.349 1.00 0.00 O ATOM 430 CB CYS A1173 -8.275 1.725 -1.266 1.00 0.00 C ATOM 431 SG CYS A1173 -6.681 2.114 -0.513 1.00 0.00 S ATOM 0 H CYS A1173 -7.449 -0.097 -2.703 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.465 -0.016 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.225 1.937 -2.334 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -9.037 2.382 -0.846 1.00 0.00 H new ATOM 0 HG CYS A1173 -6.429 1.261 0.435 1.00 0.00 H new ATOM 436 N LEU A1174 -10.582 0.189 -2.537 1.00 0.00 N ATOM 437 CA LEU A1174 -11.969 0.033 -2.908 1.00 0.00 C ATOM 438 C LEU A1174 -12.471 -1.325 -2.453 1.00 0.00 C ATOM 439 O LEU A1174 -13.658 -1.509 -2.183 1.00 0.00 O ATOM 440 CB LEU A1174 -12.099 0.211 -4.409 1.00 0.00 C ATOM 441 CG LEU A1174 -11.573 1.552 -4.892 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.621 1.637 -6.407 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.365 2.671 -4.234 1.00 0.00 C ATOM 0 H LEU A1174 -9.952 0.347 -3.323 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.583 0.789 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.557 -0.589 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.147 0.114 -4.692 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.527 1.658 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.240 2.606 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -11.007 0.845 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.651 1.522 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.989 3.634 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.418 2.576 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.256 2.606 -3.151 1.00 0.00 H new ATOM 455 N ASP A1175 -11.542 -2.263 -2.335 1.00 0.00 N ATOM 456 CA ASP A1175 -11.861 -3.596 -1.873 1.00 0.00 C ATOM 457 C ASP A1175 -12.279 -3.562 -0.400 1.00 0.00 C ATOM 458 O ASP A1175 -12.880 -4.512 0.096 1.00 0.00 O ATOM 459 CB ASP A1175 -10.650 -4.514 -2.065 1.00 0.00 C ATOM 460 CG ASP A1175 -10.839 -5.489 -3.211 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.768 -5.284 -4.019 1.00 0.00 O ATOM 462 OD2 ASP A1175 -10.057 -6.459 -3.300 1.00 0.00 O ATOM 0 H ASP A1175 -10.557 -2.119 -2.556 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.695 -3.985 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.764 -3.907 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.469 -5.070 -1.145 1.00 0.00 H new ATOM 467 N LYS A1176 -11.959 -2.460 0.294 1.00 0.00 N ATOM 468 CA LYS A1176 -12.302 -2.307 1.709 1.00 0.00 C ATOM 469 C LYS A1176 -13.793 -2.040 1.893 1.00 0.00 C ATOM 470 O LYS A1176 -14.481 -1.642 0.956 1.00 0.00 O ATOM 471 CB LYS A1176 -11.509 -1.151 2.314 1.00 0.00 C ATOM 472 CG LYS A1176 -10.114 -1.530 2.761 1.00 0.00 C ATOM 473 CD LYS A1176 -9.128 -0.430 2.429 1.00 0.00 C ATOM 474 CE LYS A1176 -7.778 -0.995 2.047 1.00 0.00 C ATOM 475 NZ LYS A1176 -6.969 -1.365 3.241 1.00 0.00 N ATOM 0 H LYS A1176 -11.463 -1.663 -0.105 1.00 0.00 H new ATOM 0 HA LYS A1176 -12.050 -3.239 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.439 -0.348 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -12.058 -0.755 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -10.109 -1.717 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.810 -2.457 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -9.517 0.174 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.017 0.232 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.918 -1.874 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -7.233 -0.261 1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.039 -1.716 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -6.842 -0.529 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.461 -2.109 3.777 1.00 0.00 H new ATOM 489 N PRO A1177 -14.308 -2.241 3.120 1.00 0.00 N ATOM 490 CA PRO A1177 -15.720 -2.003 3.432 1.00 0.00 C ATOM 491 C PRO A1177 -16.087 -0.523 3.376 1.00 0.00 C ATOM 492 O PRO A1177 -17.191 -0.159 2.970 1.00 0.00 O ATOM 493 CB PRO A1177 -15.867 -2.535 4.860 1.00 0.00 C ATOM 494 CG PRO A1177 -14.499 -2.443 5.441 1.00 0.00 C ATOM 495 CD PRO A1177 -13.548 -2.689 4.304 1.00 0.00 C ATOM 0 HA PRO A1177 -16.380 -2.487 2.713 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.581 -1.942 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.231 -3.563 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.329 -1.463 5.886 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.361 -3.180 6.232 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.623 -2.125 4.425 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.273 -3.741 4.231 1.00 0.00 H new ATOM 503 N LYS A1178 -15.154 0.324 3.800 1.00 0.00 N ATOM 504 CA LYS A1178 -15.371 1.767 3.818 1.00 0.00 C ATOM 505 C LYS A1178 -15.289 2.377 2.420 1.00 0.00 C ATOM 506 O LYS A1178 -15.644 3.540 2.226 1.00 0.00 O ATOM 507 CB LYS A1178 -14.346 2.438 4.731 1.00 0.00 C ATOM 508 CG LYS A1178 -12.910 2.253 4.268 1.00 0.00 C ATOM 509 CD LYS A1178 -11.923 2.501 5.397 1.00 0.00 C ATOM 510 CE LYS A1178 -11.138 3.785 5.180 1.00 0.00 C ATOM 511 NZ LYS A1178 -10.043 3.942 6.175 1.00 0.00 N ATOM 0 H LYS A1178 -14.236 0.034 4.137 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.378 1.940 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.566 3.504 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.450 2.035 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.778 1.241 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.701 2.936 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -12.459 2.557 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -11.234 1.660 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -10.718 3.788 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -11.813 4.638 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.532 4.829 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -10.446 3.965 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -9.384 3.141 6.096 1.00 0.00 H new ATOM 525 N PHE A1179 -14.821 1.599 1.447 1.00 0.00 N ATOM 526 CA PHE A1179 -14.700 2.092 0.081 1.00 0.00 C ATOM 527 C PHE A1179 -15.666 1.368 -0.855 1.00 0.00 C ATOM 528 O PHE A1179 -15.452 1.319 -2.067 1.00 0.00 O ATOM 529 CB PHE A1179 -13.263 1.937 -0.419 1.00 0.00 C ATOM 530 CG PHE A1179 -12.306 2.874 0.253 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.517 4.239 0.191 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.208 2.398 0.959 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.661 5.114 0.818 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.346 3.269 1.592 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.571 4.632 1.524 1.00 0.00 C ATOM 0 H PHE A1179 -14.522 0.633 1.579 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.960 3.151 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.935 0.911 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.238 2.110 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.365 4.623 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -11.028 1.335 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.839 6.178 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.497 2.887 2.140 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.900 5.318 2.019 1.00 0.00 H new ATOM 545 N GLY A1180 -16.734 0.816 -0.287 1.00 0.00 N ATOM 546 CA GLY A1180 -17.724 0.113 -1.086 1.00 0.00 C ATOM 547 C GLY A1180 -17.504 -1.388 -1.126 1.00 0.00 C ATOM 548 O GLY A1180 -18.409 -2.141 -1.488 1.00 0.00 O ATOM 0 H GLY A1180 -16.932 0.843 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.717 0.318 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.704 0.504 -2.103 1.00 0.00 H new ATOM 552 N GLY A1181 -16.306 -1.829 -0.757 1.00 0.00 N ATOM 553 CA GLY A1181 -16.004 -3.250 -0.766 1.00 0.00 C ATOM 554 C GLY A1181 -16.255 -3.911 0.577 1.00 0.00 C ATOM 555 O GLY A1181 -17.314 -3.731 1.178 1.00 0.00 O ATOM 0 H GLY A1181 -15.539 -1.229 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -16.610 -3.741 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.961 -3.394 -1.048 1.00 0.00 H new ATOM 559 N ARG A1182 -15.275 -4.681 1.045 1.00 0.00 N ATOM 560 CA ARG A1182 -15.379 -5.378 2.321 1.00 0.00 C ATOM 561 C ARG A1182 -13.992 -5.618 2.910 1.00 0.00 C ATOM 562 O ARG A1182 -12.983 -5.248 2.315 1.00 0.00 O ATOM 563 CB ARG A1182 -16.105 -6.713 2.146 1.00 0.00 C ATOM 564 CG ARG A1182 -17.373 -6.618 1.313 1.00 0.00 C ATOM 565 CD ARG A1182 -18.207 -7.884 1.420 1.00 0.00 C ATOM 566 NE ARG A1182 -18.705 -8.326 0.119 1.00 0.00 N ATOM 567 CZ ARG A1182 -19.728 -9.163 -0.039 1.00 0.00 C ATOM 568 NH1 ARG A1182 -20.363 -9.654 1.019 1.00 0.00 N ATOM 569 NH2 ARG A1182 -20.117 -9.512 -1.257 1.00 0.00 N ATOM 0 H ARG A1182 -14.395 -4.837 0.554 1.00 0.00 H new ATOM 0 HA ARG A1182 -15.952 -4.753 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.427 -7.426 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.356 -7.111 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -17.963 -5.763 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.112 -6.441 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -17.606 -8.677 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -19.049 -7.707 2.089 1.00 0.00 H new ATOM 0 HE ARG A1182 -18.241 -7.972 -0.718 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -20.068 -9.390 1.959 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -21.146 -10.295 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -19.632 -9.139 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -20.901 -10.153 -1.378 1.00 0.00 H new ATOM 583 N ASN A1183 -13.945 -6.239 4.081 1.00 0.00 N ATOM 584 CA ASN A1183 -12.673 -6.523 4.734 1.00 0.00 C ATOM 585 C ASN A1183 -12.219 -7.952 4.444 1.00 0.00 C ATOM 586 O ASN A1183 -11.410 -8.519 5.179 1.00 0.00 O ATOM 587 CB ASN A1183 -12.798 -6.306 6.241 1.00 0.00 C ATOM 588 CG ASN A1183 -11.516 -5.779 6.858 1.00 0.00 C ATOM 589 OD1 ASN A1183 -10.578 -6.536 7.110 1.00 0.00 O ATOM 590 ND2 ASN A1183 -11.470 -4.476 7.106 1.00 0.00 N ATOM 0 H ASN A1183 -14.767 -6.554 4.596 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.923 -5.839 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.608 -5.604 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -13.068 -7.247 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -10.634 -4.065 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -12.271 -3.885 6.881 1.00 0.00 H new ATOM 597 N ILE A1184 -12.750 -8.527 3.369 1.00 0.00 N ATOM 598 CA ILE A1184 -12.410 -9.889 2.976 1.00 0.00 C ATOM 599 C ILE A1184 -11.173 -9.916 2.082 1.00 0.00 C ATOM 600 O ILE A1184 -10.272 -10.732 2.272 1.00 0.00 O ATOM 601 CB ILE A1184 -13.596 -10.569 2.254 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.680 -10.130 0.786 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.891 -10.237 2.974 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.881 -10.688 0.052 1.00 0.00 C ATOM 0 H ILE A1184 -13.420 -8.068 2.753 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.189 -10.444 3.888 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.436 -11.647 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.712 -9.041 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.772 -10.443 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.725 -10.718 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.839 -10.597 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -15.040 -9.157 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.873 -10.335 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.840 -11.777 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.795 -10.354 0.543 1.00 0.00 H new ATOM 616 N LYS A1185 -11.144 -9.017 1.103 1.00 0.00 N ATOM 617 CA LYS A1185 -10.026 -8.935 0.174 1.00 0.00 C ATOM 618 C LYS A1185 -8.871 -8.155 0.786 1.00 0.00 C ATOM 619 O LYS A1185 -7.707 -8.504 0.588 1.00 0.00 O ATOM 620 CB LYS A1185 -10.471 -8.269 -1.130 1.00 0.00 C ATOM 621 CG LYS A1185 -10.225 -9.120 -2.365 1.00 0.00 C ATOM 622 CD LYS A1185 -8.740 -9.272 -2.651 1.00 0.00 C ATOM 623 CE LYS A1185 -8.495 -9.822 -4.047 1.00 0.00 C ATOM 624 NZ LYS A1185 -8.740 -8.797 -5.100 1.00 0.00 N ATOM 0 H LYS A1185 -11.883 -8.335 0.934 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.685 -9.948 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -11.534 -8.037 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.944 -7.321 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -10.672 -10.104 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -10.717 -8.666 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -8.248 -8.305 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -8.292 -9.938 -1.913 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -7.468 -10.180 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -9.145 -10.680 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -9.391 -9.181 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -9.160 -7.949 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -7.839 -8.544 -5.554 1.00 0.00 H new ATOM 638 N LYS A1186 -9.209 -7.097 1.531 1.00 0.00 N ATOM 639 CA LYS A1186 -8.213 -6.237 2.190 1.00 0.00 C ATOM 640 C LYS A1186 -6.803 -6.461 1.635 1.00 0.00 C ATOM 641 O LYS A1186 -6.075 -7.333 2.108 1.00 0.00 O ATOM 642 CB LYS A1186 -8.220 -6.484 3.699 1.00 0.00 C ATOM 643 CG LYS A1186 -8.128 -5.212 4.525 1.00 0.00 C ATOM 644 CD LYS A1186 -7.116 -5.346 5.652 1.00 0.00 C ATOM 645 CE LYS A1186 -6.992 -4.057 6.446 1.00 0.00 C ATOM 646 NZ LYS A1186 -6.728 -4.315 7.889 1.00 0.00 N ATOM 0 H LYS A1186 -10.174 -6.812 1.695 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.490 -5.203 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -9.133 -7.016 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.384 -7.135 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -7.847 -4.379 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -9.107 -4.977 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -7.415 -6.156 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.144 -5.615 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -6.185 -3.452 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -7.910 -3.478 6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -6.650 -3.410 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -7.510 -4.870 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -5.839 -4.845 7.990 1.00 0.00 H new ATOM 660 N GLN A1187 -6.429 -5.679 0.624 1.00 0.00 N ATOM 661 CA GLN A1187 -5.113 -5.814 0.008 1.00 0.00 C ATOM 662 C GLN A1187 -4.236 -4.602 0.298 1.00 0.00 C ATOM 663 O GLN A1187 -4.685 -3.623 0.894 1.00 0.00 O ATOM 664 CB GLN A1187 -5.255 -5.996 -1.503 1.00 0.00 C ATOM 665 CG GLN A1187 -6.161 -7.150 -1.899 1.00 0.00 C ATOM 666 CD GLN A1187 -5.502 -8.503 -1.709 1.00 0.00 C ATOM 667 OE1 GLN A1187 -5.108 -9.153 -2.677 1.00 0.00 O ATOM 668 NE2 GLN A1187 -5.378 -8.932 -0.459 1.00 0.00 N ATOM 0 H GLN A1187 -7.015 -4.950 0.217 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.634 -6.693 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -5.645 -5.075 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -4.267 -6.157 -1.935 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -7.075 -7.109 -1.306 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.453 -7.036 -2.943 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.719 -8.359 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -4.941 -9.834 -0.270 1.00 0.00 H new ATOM 677 N CYS A1188 -2.981 -4.675 -0.137 1.00 0.00 N ATOM 678 CA CYS A1188 -2.033 -3.586 0.065 1.00 0.00 C ATOM 679 C CYS A1188 -2.339 -2.429 -0.879 1.00 0.00 C ATOM 680 O CYS A1188 -2.236 -2.564 -2.097 1.00 0.00 O ATOM 681 CB CYS A1188 -0.602 -4.078 -0.158 1.00 0.00 C ATOM 682 SG CYS A1188 0.218 -4.667 1.341 1.00 0.00 S ATOM 0 H CYS A1188 -2.597 -5.480 -0.633 1.00 0.00 H new ATOM 0 HA CYS A1188 -2.129 -3.234 1.092 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.617 -4.884 -0.892 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -0.013 -3.267 -0.587 1.00 0.00 H new ATOM 0 HG CYS A1188 1.421 -5.064 1.050 1.00 0.00 H new ATOM 688 N CYS A1189 -2.720 -1.291 -0.306 1.00 0.00 N ATOM 689 CA CYS A1189 -3.050 -0.105 -1.090 1.00 0.00 C ATOM 690 C CYS A1189 -1.986 0.182 -2.149 1.00 0.00 C ATOM 691 O CYS A1189 -0.792 0.231 -1.854 1.00 0.00 O ATOM 692 CB CYS A1189 -3.209 1.103 -0.164 1.00 0.00 C ATOM 693 SG CYS A1189 -3.276 2.699 -1.015 1.00 0.00 S ATOM 0 H CYS A1189 -2.808 -1.165 0.702 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.991 -0.294 -1.607 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.121 0.979 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.378 1.116 0.541 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.514 3.079 -1.128 1.00 0.00 H new ATOM 698 N LYS A1190 -2.440 0.376 -3.381 1.00 0.00 N ATOM 699 CA LYS A1190 -1.552 0.665 -4.501 1.00 0.00 C ATOM 700 C LYS A1190 -0.703 1.906 -4.226 1.00 0.00 C ATOM 701 O LYS A1190 0.482 1.941 -4.558 1.00 0.00 O ATOM 702 CB LYS A1190 -2.375 0.868 -5.776 1.00 0.00 C ATOM 703 CG LYS A1190 -3.244 -0.324 -6.140 1.00 0.00 C ATOM 704 CD LYS A1190 -3.651 -0.283 -7.605 1.00 0.00 C ATOM 705 CE LYS A1190 -3.926 -1.675 -8.149 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.772 -2.205 -8.928 1.00 0.00 N ATOM 0 H LYS A1190 -3.428 0.338 -3.632 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.880 -0.183 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -3.010 1.745 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.699 1.079 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.702 -1.248 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.135 -0.332 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.542 0.335 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.860 0.187 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.147 -2.351 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.811 -1.648 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -2.999 -3.156 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.577 -1.574 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -1.933 -2.255 -8.315 1.00 0.00 H new ATOM 720 N MET A1191 -1.315 2.923 -3.624 1.00 0.00 N ATOM 721 CA MET A1191 -0.615 4.164 -3.313 1.00 0.00 C ATOM 722 C MET A1191 0.302 4.003 -2.105 1.00 0.00 C ATOM 723 O MET A1191 1.168 4.840 -1.868 1.00 0.00 O ATOM 724 CB MET A1191 -1.621 5.284 -3.036 1.00 0.00 C ATOM 725 CG MET A1191 -2.562 5.567 -4.196 1.00 0.00 C ATOM 726 SD MET A1191 -2.689 7.324 -4.585 1.00 0.00 S ATOM 727 CE MET A1191 -0.960 7.785 -4.653 1.00 0.00 C ATOM 0 H MET A1191 -2.295 2.911 -3.342 1.00 0.00 H new ATOM 0 HA MET A1191 -0.004 4.420 -4.179 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.211 5.020 -2.158 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.076 6.196 -2.792 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.215 5.029 -5.078 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.553 5.181 -3.956 1.00 0.00 H new ATOM 0 HE1 MET A1191 -0.827 8.595 -5.371 1.00 0.00 H new ATOM 0 HE2 MET A1191 -0.633 8.116 -3.667 1.00 0.00 H new ATOM 0 HE3 MET A1191 -0.366 6.925 -4.963 1.00 0.00 H new ATOM 737 N ARG A1192 0.095 2.939 -1.332 1.00 0.00 N ATOM 738 CA ARG A1192 0.892 2.692 -0.136 1.00 0.00 C ATOM 739 C ARG A1192 2.136 1.869 -0.438 1.00 0.00 C ATOM 740 O ARG A1192 3.180 2.051 0.188 1.00 0.00 O ATOM 741 CB ARG A1192 0.043 1.967 0.898 1.00 0.00 C ATOM 742 CG ARG A1192 -0.934 2.880 1.612 1.00 0.00 C ATOM 743 CD ARG A1192 -1.829 2.110 2.569 1.00 0.00 C ATOM 744 NE ARG A1192 -1.656 2.550 3.945 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.259 1.978 4.985 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.086 0.956 4.801 1.00 0.00 N ATOM 747 NH2 ARG A1192 -2.036 2.428 6.210 1.00 0.00 N ATOM 0 H ARG A1192 -0.619 2.234 -1.514 1.00 0.00 H new ATOM 0 HA ARG A1192 1.219 3.657 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.510 1.166 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.698 1.499 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.383 3.642 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.549 3.400 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.871 2.238 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.606 1.045 2.497 1.00 0.00 H new ATOM 0 HE ARG A1192 -1.038 3.342 4.123 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.262 0.605 3.859 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.545 0.521 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.402 3.213 6.357 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.498 1.989 7.006 1.00 0.00 H new ATOM 761 N LYS A1193 2.015 0.956 -1.388 1.00 0.00 N ATOM 762 CA LYS A1193 3.130 0.092 -1.762 1.00 0.00 C ATOM 763 C LYS A1193 4.363 0.923 -2.110 1.00 0.00 C ATOM 764 O LYS A1193 4.335 1.741 -3.030 1.00 0.00 O ATOM 765 CB LYS A1193 2.743 -0.790 -2.950 1.00 0.00 C ATOM 766 CG LYS A1193 1.824 -1.942 -2.576 1.00 0.00 C ATOM 767 CD LYS A1193 0.840 -2.258 -3.693 1.00 0.00 C ATOM 768 CE LYS A1193 1.204 -3.546 -4.415 1.00 0.00 C ATOM 769 NZ LYS A1193 1.137 -3.392 -5.894 1.00 0.00 N ATOM 0 H LYS A1193 1.158 0.792 -1.916 1.00 0.00 H new ATOM 0 HA LYS A1193 3.369 -0.545 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A1193 2.253 -0.175 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.649 -1.191 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.420 -2.827 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A1193 1.276 -1.691 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A1193 -0.165 -2.344 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A1193 0.822 -1.434 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A1193 2.210 -3.852 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A1193 0.527 -4.341 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 1.392 -4.292 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 0.171 -3.125 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 1.801 -2.651 -6.196 1.00 0.00 H new ATOM 783 N CYS A1194 5.438 0.715 -1.353 1.00 0.00 N ATOM 784 CA CYS A1194 6.678 1.451 -1.562 1.00 0.00 C ATOM 785 C CYS A1194 7.195 1.278 -2.986 1.00 0.00 C ATOM 786 O CYS A1194 7.015 0.233 -3.610 1.00 0.00 O ATOM 787 CB CYS A1194 7.738 1.006 -0.551 1.00 0.00 C ATOM 788 SG CYS A1194 9.376 1.719 -0.833 1.00 0.00 S ATOM 0 H CYS A1194 5.473 0.041 -0.588 1.00 0.00 H new ATOM 0 HA CYS A1194 6.468 2.510 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.404 1.276 0.451 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.817 -0.081 -0.579 1.00 0.00 H new ATOM 0 HG CYS A1194 9.263 2.998 -1.039 1.00 0.00 H new ATOM 793 N GLN A1195 7.832 2.328 -3.486 1.00 0.00 N ATOM 794 CA GLN A1195 8.380 2.344 -4.831 1.00 0.00 C ATOM 795 C GLN A1195 9.892 2.139 -4.824 1.00 0.00 C ATOM 796 O GLN A1195 10.457 1.602 -5.776 1.00 0.00 O ATOM 797 CB GLN A1195 8.051 3.686 -5.483 1.00 0.00 C ATOM 798 CG GLN A1195 6.729 3.689 -6.225 1.00 0.00 C ATOM 799 CD GLN A1195 6.543 4.921 -7.088 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.188 5.069 -8.127 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.659 5.815 -6.660 1.00 0.00 N ATOM 0 H GLN A1195 7.982 3.193 -2.967 1.00 0.00 H new ATOM 0 HA GLN A1195 7.935 1.524 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.029 4.459 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.849 3.949 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.667 2.799 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A1195 5.913 3.629 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN A1195 5.147 5.651 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.492 6.665 -7.198 1.00 0.00 H new ATOM 810 N ASN A1196 10.544 2.587 -3.756 1.00 0.00 N ATOM 811 CA ASN A1196 11.990 2.468 -3.644 1.00 0.00 C ATOM 812 C ASN A1196 12.399 1.880 -2.301 1.00 0.00 C ATOM 813 O ASN A1196 12.137 2.457 -1.247 1.00 0.00 O ATOM 814 CB ASN A1196 12.641 3.840 -3.853 1.00 0.00 C ATOM 815 CG ASN A1196 14.089 3.890 -3.403 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.923 3.107 -3.861 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.392 4.813 -2.498 1.00 0.00 N ATOM 0 H ASN A1196 10.093 3.035 -2.958 1.00 0.00 H new ATOM 0 HA ASN A1196 12.338 1.784 -4.419 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.586 4.104 -4.909 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.072 4.592 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.349 4.895 -2.154 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.668 5.440 -2.147 1.00 0.00 H new ATOM 824 N LEU A1197 13.053 0.732 -2.351 1.00 0.00 N ATOM 825 CA LEU A1197 13.513 0.062 -1.147 1.00 0.00 C ATOM 826 C LEU A1197 14.965 -0.377 -1.299 1.00 0.00 C ATOM 827 O LEU A1197 15.419 -0.677 -2.402 1.00 0.00 O ATOM 828 CB LEU A1197 12.644 -1.161 -0.854 1.00 0.00 C ATOM 829 CG LEU A1197 11.179 -1.058 -1.286 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.881 -2.040 -2.398 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.255 -1.324 -0.116 1.00 0.00 C ATOM 0 H LEU A1197 13.278 0.243 -3.217 1.00 0.00 H new ATOM 0 HA LEU A1197 13.437 0.767 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A1197 13.088 -2.025 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.674 -1.356 0.218 1.00 0.00 H new ATOM 0 HG LEU A1197 11.009 -0.045 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.835 -1.951 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.518 -1.823 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A1197 11.075 -3.054 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.219 -1.246 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.438 -2.326 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.442 -0.592 0.669 1.00 0.00 H new