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 -82:sc= -0.144 USER MOD Set 1.2: A1158 CYS SG : rot -54:sc= 2.08 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= -0.266 USER MOD Set 1.4: A1194 CYS SG : rot 43:sc= -2.14 USER MOD Set 2.1: A1167 CYS SG : rot -28:sc= 0.0769 USER MOD Set 2.2: A1170 CYS SG : rot -89:sc= 1.21 USER MOD Set 2.3: A1173 CYS SG : rot -34:sc= -0.987! USER MOD Set 2.4: A1189 CYS SG : rot 98:sc= -0.376 USER MOD Single : A1157 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A1162 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.3!) USER MOD Single : A1171 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A1172 ASN : amide:sc= -5.9! C(o=-5.9!,f=-4.9!) USER MOD Single : A1176 LYS NZ :NH3+ -162:sc= -1.69 (180deg=-1.91) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -0.948 K(o=-0.95,f=0) 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= -1.7 K(o=-1.7,f=-0.64) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1190 LYS NZ :NH3+ -178:sc= -1.33 (180deg=-1.44) USER MOD Single : A1191 MET CE :methyl -152:sc= -0.282 (180deg=-1.23) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= -1.02 K(o=-1,f=-0.25) USER MOD Single : A1196 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.780 -0.587 2.998 1.00 0.00 N ATOM 179 CA ARG A1154 11.202 0.593 2.371 1.00 0.00 C ATOM 180 C ARG A1154 11.968 1.853 2.763 1.00 0.00 C ATOM 181 O ARG A1154 12.341 2.034 3.922 1.00 0.00 O ATOM 182 CB ARG A1154 9.729 0.729 2.760 1.00 0.00 C ATOM 183 CG ARG A1154 8.935 -0.560 2.595 1.00 0.00 C ATOM 184 CD ARG A1154 8.045 -0.831 3.797 1.00 0.00 C ATOM 185 NE ARG A1154 6.673 -1.147 3.404 1.00 0.00 N ATOM 186 CZ ARG A1154 6.285 -2.342 2.962 1.00 0.00 C ATOM 187 NH1 ARG A1154 7.160 -3.333 2.855 1.00 0.00 N ATOM 188 NH2 ARG A1154 5.018 -2.544 2.626 1.00 0.00 N ATOM 0 HA ARG A1154 11.275 0.473 1.290 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.664 1.056 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.271 1.509 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.322 -0.497 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.622 -1.395 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A1154 8.457 -1.660 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A1154 8.043 0.042 4.450 1.00 0.00 H new ATOM 0 HE ARG A1154 5.972 -0.409 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A1154 8.136 -3.182 3.112 1.00 0.00 H new ATOM 0 HH12 ARG A1154 6.857 -4.246 2.516 1.00 0.00 H new ATOM 0 HH21 ARG A1154 4.342 -1.785 2.706 1.00 0.00 H new ATOM 0 HH22 ARG A1154 4.720 -3.459 2.287 1.00 0.00 H new ATOM 202 N CYS A1155 12.204 2.710 1.780 1.00 0.00 N ATOM 203 CA CYS A1155 12.934 3.952 1.989 1.00 0.00 C ATOM 204 C CYS A1155 12.298 4.805 3.084 1.00 0.00 C ATOM 205 O CYS A1155 12.973 5.238 4.018 1.00 0.00 O ATOM 206 CB CYS A1155 12.993 4.740 0.681 1.00 0.00 C ATOM 207 SG CYS A1155 11.384 4.994 -0.103 1.00 0.00 S ATOM 0 H CYS A1155 11.896 2.565 0.818 1.00 0.00 H new ATOM 0 HA CYS A1155 13.943 3.698 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.448 5.711 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.646 4.216 -0.017 1.00 0.00 H new ATOM 0 HG CYS A1155 11.065 3.938 -0.791 1.00 0.00 H new ATOM 213 N GLY A1156 11.001 5.045 2.959 1.00 0.00 N ATOM 214 CA GLY A1156 10.297 5.850 3.939 1.00 0.00 C ATOM 215 C GLY A1156 10.155 7.301 3.513 1.00 0.00 C ATOM 216 O GLY A1156 9.965 8.181 4.352 1.00 0.00 O ATOM 0 H GLY A1156 10.422 4.696 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.307 5.426 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.829 5.805 4.890 1.00 0.00 H new ATOM 220 N GLN A1157 10.256 7.559 2.209 1.00 0.00 N ATOM 221 CA GLN A1157 10.145 8.920 1.693 1.00 0.00 C ATOM 222 C GLN A1157 9.645 8.937 0.248 1.00 0.00 C ATOM 223 O GLN A1157 9.844 9.916 -0.473 1.00 0.00 O ATOM 224 CB GLN A1157 11.497 9.629 1.784 1.00 0.00 C ATOM 225 CG GLN A1157 11.671 10.445 3.054 1.00 0.00 C ATOM 226 CD GLN A1157 13.054 10.294 3.660 1.00 0.00 C ATOM 227 OE1 GLN A1157 13.196 10.089 4.866 1.00 0.00 O ATOM 228 NE2 GLN A1157 14.081 10.395 2.824 1.00 0.00 N ATOM 0 H GLN A1157 10.414 6.847 1.496 1.00 0.00 H new ATOM 0 HA GLN A1157 9.415 9.448 2.307 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.292 8.886 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.613 10.285 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.488 11.497 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A1157 10.923 10.137 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A1157 13.916 10.565 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A1157 15.035 10.302 3.174 1.00 0.00 H new ATOM 237 N CYS A1158 8.986 7.860 -0.169 1.00 0.00 N ATOM 238 CA CYS A1158 8.450 7.770 -1.524 1.00 0.00 C ATOM 239 C CYS A1158 6.936 7.952 -1.496 1.00 0.00 C ATOM 240 O CYS A1158 6.334 8.049 -0.425 1.00 0.00 O ATOM 241 CB CYS A1158 8.816 6.425 -2.160 1.00 0.00 C ATOM 242 SG CYS A1158 8.088 5.001 -1.328 1.00 0.00 S ATOM 0 H CYS A1158 8.810 7.039 0.410 1.00 0.00 H new ATOM 0 HA CYS A1158 8.890 8.563 -2.129 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.495 6.428 -3.202 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.901 6.318 -2.161 1.00 0.00 H new ATOM 0 HG CYS A1158 8.389 5.036 -0.064 1.00 0.00 H new ATOM 248 N PRO A1159 6.296 8.011 -2.673 1.00 0.00 N ATOM 249 CA PRO A1159 4.845 8.195 -2.771 1.00 0.00 C ATOM 250 C PRO A1159 4.072 7.152 -1.970 1.00 0.00 C ATOM 251 O PRO A1159 2.990 7.429 -1.459 1.00 0.00 O ATOM 252 CB PRO A1159 4.578 8.053 -4.273 1.00 0.00 C ATOM 253 CG PRO A1159 5.866 8.449 -4.907 1.00 0.00 C ATOM 254 CD PRO A1159 6.926 7.910 -3.999 1.00 0.00 C ATOM 0 HA PRO A1159 4.518 9.150 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.302 7.031 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.760 8.697 -4.596 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.957 8.033 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.942 9.532 -5.003 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.187 6.881 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.844 8.494 -4.057 1.00 0.00 H new ATOM 262 N GLY A1160 4.638 5.955 -1.860 1.00 0.00 N ATOM 263 CA GLY A1160 3.993 4.892 -1.110 1.00 0.00 C ATOM 264 C GLY A1160 4.154 5.040 0.392 1.00 0.00 C ATOM 265 O GLY A1160 3.180 4.977 1.144 1.00 0.00 O ATOM 0 H GLY A1160 5.533 5.701 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.931 4.875 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.407 3.933 -1.421 1.00 0.00 H new ATOM 269 N CYS A1161 5.397 5.214 0.825 1.00 0.00 N ATOM 270 CA CYS A1161 5.727 5.345 2.236 1.00 0.00 C ATOM 271 C CYS A1161 5.061 6.561 2.879 1.00 0.00 C ATOM 272 O CYS A1161 4.831 6.581 4.088 1.00 0.00 O ATOM 273 CB CYS A1161 7.245 5.445 2.388 1.00 0.00 C ATOM 274 SG CYS A1161 8.124 3.905 2.040 1.00 0.00 S ATOM 0 H CYS A1161 6.205 5.268 0.205 1.00 0.00 H new ATOM 0 HA CYS A1161 5.349 4.462 2.751 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.616 6.222 1.719 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.478 5.762 3.405 1.00 0.00 H new ATOM 0 HG CYS A1161 8.786 3.535 3.096 1.00 0.00 H new ATOM 279 N GLN A1162 4.771 7.580 2.078 1.00 0.00 N ATOM 280 CA GLN A1162 4.153 8.800 2.595 1.00 0.00 C ATOM 281 C GLN A1162 2.641 8.665 2.765 1.00 0.00 C ATOM 282 O GLN A1162 1.975 9.628 3.144 1.00 0.00 O ATOM 283 CB GLN A1162 4.467 9.983 1.681 1.00 0.00 C ATOM 284 CG GLN A1162 3.787 9.907 0.326 1.00 0.00 C ATOM 285 CD GLN A1162 4.432 10.825 -0.692 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.762 11.644 -1.322 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.744 10.691 -0.860 1.00 0.00 N ATOM 0 H GLN A1162 4.952 7.588 1.074 1.00 0.00 H new ATOM 0 HA GLN A1162 4.578 8.974 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.164 10.905 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.545 10.040 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.823 8.881 -0.039 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.735 10.170 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.260 9.999 -0.316 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.235 11.280 -1.533 1.00 0.00 H new ATOM 296 N VAL A1163 2.092 7.487 2.482 1.00 0.00 N ATOM 297 CA VAL A1163 0.653 7.280 2.615 1.00 0.00 C ATOM 298 C VAL A1163 0.311 6.452 3.853 1.00 0.00 C ATOM 299 O VAL A1163 0.338 5.223 3.813 1.00 0.00 O ATOM 300 CB VAL A1163 0.052 6.587 1.380 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.464 6.603 1.454 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.525 7.255 0.105 1.00 0.00 C ATOM 0 H VAL A1163 2.614 6.671 2.163 1.00 0.00 H new ATOM 0 HA VAL A1163 0.219 8.275 2.713 1.00 0.00 H new ATOM 0 HB VAL A1163 0.392 5.551 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.876 6.109 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.790 6.077 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.816 7.634 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.087 6.748 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.217 8.300 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.612 7.198 0.046 1.00 0.00 H new ATOM 312 N PRO A1164 -0.031 7.118 4.968 1.00 0.00 N ATOM 313 CA PRO A1164 -0.394 6.443 6.211 1.00 0.00 C ATOM 314 C PRO A1164 -1.865 6.027 6.229 1.00 0.00 C ATOM 315 O PRO A1164 -2.341 5.437 7.200 1.00 0.00 O ATOM 316 CB PRO A1164 -0.136 7.520 7.258 1.00 0.00 C ATOM 317 CG PRO A1164 -0.459 8.796 6.557 1.00 0.00 C ATOM 318 CD PRO A1164 -0.101 8.586 5.106 1.00 0.00 C ATOM 0 HA PRO A1164 0.166 5.521 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.764 7.379 8.138 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.899 7.504 7.599 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.515 9.042 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.106 9.626 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.852 9.014 4.443 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.850 9.057 4.857 1.00 0.00 H new ATOM 326 N GLU A1165 -2.580 6.347 5.152 1.00 0.00 N ATOM 327 CA GLU A1165 -3.996 6.017 5.046 1.00 0.00 C ATOM 328 C GLU A1165 -4.302 5.312 3.728 1.00 0.00 C ATOM 329 O GLU A1165 -3.416 5.108 2.898 1.00 0.00 O ATOM 330 CB GLU A1165 -4.834 7.292 5.149 1.00 0.00 C ATOM 331 CG GLU A1165 -4.411 8.373 4.168 1.00 0.00 C ATOM 332 CD GLU A1165 -5.592 9.034 3.482 1.00 0.00 C ATOM 333 OE1 GLU A1165 -6.653 9.169 4.127 1.00 0.00 O ATOM 334 OE2 GLU A1165 -5.456 9.414 2.300 1.00 0.00 O ATOM 0 H GLU A1165 -2.200 6.835 4.341 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.248 5.341 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.881 7.045 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.762 7.684 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.832 9.131 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -3.755 7.938 3.414 1.00 0.00 H new ATOM 341 N ASP A1166 -5.568 4.949 3.543 1.00 0.00 N ATOM 342 CA ASP A1166 -6.012 4.276 2.334 1.00 0.00 C ATOM 343 C ASP A1166 -6.550 5.292 1.332 1.00 0.00 C ATOM 344 O ASP A1166 -7.526 5.986 1.620 1.00 0.00 O ATOM 345 CB ASP A1166 -7.097 3.264 2.696 1.00 0.00 C ATOM 346 CG ASP A1166 -6.599 2.211 3.666 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.502 1.661 3.434 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.307 1.936 4.659 1.00 0.00 O ATOM 0 H ASP A1166 -6.309 5.113 4.225 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.170 3.757 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.947 3.787 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.456 2.779 1.788 1.00 0.00 H new ATOM 353 N CYS A1167 -5.921 5.395 0.155 1.00 0.00 N ATOM 354 CA CYS A1167 -6.373 6.347 -0.852 1.00 0.00 C ATOM 355 C CYS A1167 -7.880 6.225 -1.049 1.00 0.00 C ATOM 356 O CYS A1167 -8.592 7.228 -1.106 1.00 0.00 O ATOM 357 CB CYS A1167 -5.631 6.136 -2.168 1.00 0.00 C ATOM 358 SG CYS A1167 -5.931 4.539 -2.948 1.00 0.00 S ATOM 0 H CYS A1167 -5.111 4.838 -0.116 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.151 7.356 -0.504 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.918 6.925 -2.863 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.561 6.243 -1.988 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.216 3.657 -2.036 1.00 0.00 H new ATOM 364 N GLY A1168 -8.367 4.988 -1.103 1.00 0.00 N ATOM 365 CA GLY A1168 -9.791 4.769 -1.235 1.00 0.00 C ATOM 366 C GLY A1168 -10.290 4.708 -2.653 1.00 0.00 C ATOM 367 O GLY A1168 -11.477 4.924 -2.899 1.00 0.00 O ATOM 0 H GLY A1168 -7.802 4.140 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.049 3.837 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.317 5.568 -0.713 1.00 0.00 H new ATOM 371 N VAL A1169 -9.402 4.456 -3.595 1.00 0.00 N ATOM 372 CA VAL A1169 -9.802 4.419 -4.989 1.00 0.00 C ATOM 373 C VAL A1169 -9.125 3.293 -5.771 1.00 0.00 C ATOM 374 O VAL A1169 -9.509 3.010 -6.906 1.00 0.00 O ATOM 375 CB VAL A1169 -9.508 5.774 -5.637 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.294 6.869 -4.920 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.018 6.058 -5.584 1.00 0.00 C ATOM 0 H VAL A1169 -8.412 4.276 -3.425 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.872 4.214 -5.020 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.817 5.753 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.082 7.832 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.361 6.658 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.001 6.900 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.815 7.024 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.688 6.077 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.480 5.278 -6.122 1.00 0.00 H new ATOM 387 N CYS A1170 -8.147 2.627 -5.164 1.00 0.00 N ATOM 388 CA CYS A1170 -7.481 1.514 -5.825 1.00 0.00 C ATOM 389 C CYS A1170 -8.209 0.223 -5.465 1.00 0.00 C ATOM 390 O CYS A1170 -8.905 0.169 -4.461 1.00 0.00 O ATOM 391 CB CYS A1170 -6.000 1.443 -5.438 1.00 0.00 C ATOM 392 SG CYS A1170 -5.689 1.109 -3.691 1.00 0.00 S ATOM 0 H CYS A1170 -7.803 2.836 -4.227 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.517 1.661 -6.904 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.520 0.666 -6.033 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.524 2.387 -5.703 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.636 2.231 -3.037 1.00 0.00 H new ATOM 398 N THR A1171 -8.080 -0.803 -6.293 1.00 0.00 N ATOM 399 CA THR A1171 -8.780 -2.073 -6.046 1.00 0.00 C ATOM 400 C THR A1171 -8.643 -2.527 -4.590 1.00 0.00 C ATOM 401 O THR A1171 -9.615 -2.960 -3.966 1.00 0.00 O ATOM 402 CB THR A1171 -8.277 -3.187 -6.987 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.636 -4.219 -6.258 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.303 -2.715 -8.047 1.00 0.00 C ATOM 0 H THR A1171 -7.505 -0.791 -7.136 1.00 0.00 H new ATOM 0 HA THR A1171 -9.835 -1.889 -6.251 1.00 0.00 H new ATOM 0 HB THR A1171 -9.178 -3.545 -7.485 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.328 -4.914 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A1171 -7.000 -3.560 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.783 -1.962 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.425 -2.282 -7.568 1.00 0.00 H new ATOM 412 N ASN A1172 -7.432 -2.439 -4.066 1.00 0.00 N ATOM 413 CA ASN A1172 -7.152 -2.857 -2.697 1.00 0.00 C ATOM 414 C ASN A1172 -7.941 -2.052 -1.669 1.00 0.00 C ATOM 415 O ASN A1172 -8.531 -2.615 -0.745 1.00 0.00 O ATOM 416 CB ASN A1172 -5.661 -2.718 -2.423 1.00 0.00 C ATOM 417 CG ASN A1172 -4.821 -3.497 -3.414 1.00 0.00 C ATOM 418 OD1 ASN A1172 -5.151 -4.628 -3.775 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.732 -2.893 -3.868 1.00 0.00 N ATOM 0 H ASN A1172 -6.621 -2.080 -4.569 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.462 -3.897 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.383 -1.665 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.445 -3.067 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -3.131 -3.366 -4.543 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.496 -1.956 -3.543 1.00 0.00 H new ATOM 426 N CYS A1173 -7.942 -0.739 -1.828 1.00 0.00 N ATOM 427 CA CYS A1173 -8.651 0.144 -0.912 1.00 0.00 C ATOM 428 C CYS A1173 -10.143 0.001 -1.101 1.00 0.00 C ATOM 429 O CYS A1173 -10.892 -0.163 -0.146 1.00 0.00 O ATOM 430 CB CYS A1173 -8.231 1.591 -1.139 1.00 0.00 C ATOM 431 SG CYS A1173 -6.627 1.995 -0.421 1.00 0.00 S ATOM 0 H CYS A1173 -7.458 -0.258 -2.586 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.396 -0.137 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.201 1.788 -2.211 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -8.987 2.251 -0.714 1.00 0.00 H new ATOM 0 HG CYS A1173 -6.462 1.322 0.679 1.00 0.00 H new ATOM 436 N LEU A1174 -10.564 0.038 -2.347 1.00 0.00 N ATOM 437 CA LEU A1174 -11.961 -0.113 -2.682 1.00 0.00 C ATOM 438 C LEU A1174 -12.461 -1.468 -2.202 1.00 0.00 C ATOM 439 O LEU A1174 -13.653 -1.659 -1.963 1.00 0.00 O ATOM 440 CB LEU A1174 -12.137 0.067 -4.179 1.00 0.00 C ATOM 441 CG LEU A1174 -11.568 1.379 -4.698 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.591 1.412 -6.215 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.345 2.542 -4.096 1.00 0.00 C ATOM 0 H LEU A1174 -9.951 0.173 -3.151 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.558 0.649 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.653 -0.761 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.199 0.018 -4.422 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.525 1.468 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.180 2.359 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.992 0.590 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.618 1.311 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.938 3.483 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.395 2.464 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.259 2.513 -3.010 1.00 0.00 H new ATOM 455 N ASP A1175 -11.522 -2.394 -2.022 1.00 0.00 N ATOM 456 CA ASP A1175 -11.842 -3.718 -1.523 1.00 0.00 C ATOM 457 C ASP A1175 -12.265 -3.640 -0.050 1.00 0.00 C ATOM 458 O ASP A1175 -12.787 -4.605 0.507 1.00 0.00 O ATOM 459 CB ASP A1175 -10.630 -4.639 -1.687 1.00 0.00 C ATOM 460 CG ASP A1175 -10.818 -5.641 -2.810 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.725 -6.493 -2.701 1.00 0.00 O ATOM 462 OD2 ASP A1175 -10.059 -5.572 -3.800 1.00 0.00 O ATOM 0 H ASP A1175 -10.532 -2.246 -2.217 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.673 -4.127 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.743 -4.037 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.452 -5.172 -0.753 1.00 0.00 H new ATOM 467 N LYS A1176 -12.044 -2.474 0.572 1.00 0.00 N ATOM 468 CA LYS A1176 -12.405 -2.253 1.968 1.00 0.00 C ATOM 469 C LYS A1176 -13.854 -1.783 2.085 1.00 0.00 C ATOM 470 O LYS A1176 -14.353 -1.074 1.213 1.00 0.00 O ATOM 471 CB LYS A1176 -11.485 -1.197 2.580 1.00 0.00 C ATOM 472 CG LYS A1176 -10.121 -1.727 2.986 1.00 0.00 C ATOM 473 CD LYS A1176 -9.004 -0.967 2.290 1.00 0.00 C ATOM 474 CE LYS A1176 -7.841 -0.698 3.228 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.080 -1.939 3.542 1.00 0.00 N ATOM 0 H LYS A1176 -11.613 -1.667 0.121 1.00 0.00 H new ATOM 0 HA LYS A1176 -12.295 -3.196 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.350 -0.388 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.972 -0.769 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -10.003 -1.643 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -10.052 -2.786 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -8.654 -1.539 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.390 -0.022 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.171 0.033 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -8.215 -0.258 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.505 -1.787 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -7.745 -2.721 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -6.458 -2.176 2.743 1.00 0.00 H new ATOM 489 N PRO A1177 -14.547 -2.160 3.173 1.00 0.00 N ATOM 490 CA PRO A1177 -15.940 -1.761 3.398 1.00 0.00 C ATOM 491 C PRO A1177 -16.120 -0.250 3.327 1.00 0.00 C ATOM 492 O PRO A1177 -17.047 0.246 2.687 1.00 0.00 O ATOM 493 CB PRO A1177 -16.236 -2.267 4.813 1.00 0.00 C ATOM 494 CG PRO A1177 -15.260 -3.368 5.037 1.00 0.00 C ATOM 495 CD PRO A1177 -14.025 -2.991 4.270 1.00 0.00 C ATOM 0 HA PRO A1177 -16.609 -2.169 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.113 -1.474 5.550 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -17.262 -2.625 4.898 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -15.040 -3.484 6.098 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -15.660 -4.320 4.689 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -13.319 -2.440 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.501 -3.870 3.894 1.00 0.00 H new ATOM 503 N LYS A1178 -15.224 0.476 3.989 1.00 0.00 N ATOM 504 CA LYS A1178 -15.277 1.934 4.000 1.00 0.00 C ATOM 505 C LYS A1178 -15.230 2.496 2.582 1.00 0.00 C ATOM 506 O LYS A1178 -15.671 3.617 2.333 1.00 0.00 O ATOM 507 CB LYS A1178 -14.119 2.500 4.826 1.00 0.00 C ATOM 508 CG LYS A1178 -12.753 2.290 4.190 1.00 0.00 C ATOM 509 CD LYS A1178 -11.712 3.228 4.782 1.00 0.00 C ATOM 510 CE LYS A1178 -10.686 2.468 5.605 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.886 3.377 6.472 1.00 0.00 N ATOM 0 H LYS A1178 -14.453 0.078 4.525 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.221 2.234 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.280 3.568 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.126 2.035 5.812 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.438 1.257 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.822 2.454 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -11.209 3.769 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -12.204 3.972 5.408 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -11.193 1.729 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -10.019 1.922 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.198 2.820 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -9.382 4.067 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -10.520 3.880 7.126 1.00 0.00 H new ATOM 525 N PHE A1179 -14.688 1.709 1.656 1.00 0.00 N ATOM 526 CA PHE A1179 -14.582 2.129 0.264 1.00 0.00 C ATOM 527 C PHE A1179 -15.573 1.371 -0.617 1.00 0.00 C ATOM 528 O PHE A1179 -15.406 1.300 -1.834 1.00 0.00 O ATOM 529 CB PHE A1179 -13.156 1.915 -0.242 1.00 0.00 C ATOM 530 CG PHE A1179 -12.165 2.830 0.411 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.320 4.197 0.304 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.097 2.330 1.143 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.435 5.054 0.911 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.205 3.185 1.758 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.375 4.552 1.643 1.00 0.00 C ATOM 0 H PHE A1179 -14.316 0.778 1.845 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.825 3.190 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.863 0.881 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.131 2.070 -1.321 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.147 4.598 -0.264 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.963 1.262 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.567 6.122 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.377 2.788 2.327 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.682 5.226 2.124 1.00 0.00 H new ATOM 545 N GLY A1180 -16.606 0.805 0.006 1.00 0.00 N ATOM 546 CA GLY A1180 -17.606 0.063 -0.737 1.00 0.00 C ATOM 547 C GLY A1180 -17.277 -1.415 -0.865 1.00 0.00 C ATOM 548 O GLY A1180 -18.105 -2.202 -1.323 1.00 0.00 O ATOM 0 H GLY A1180 -16.766 0.849 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.572 0.173 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.705 0.495 -1.733 1.00 0.00 H new ATOM 552 N GLY A1181 -16.067 -1.792 -0.465 1.00 0.00 N ATOM 553 CA GLY A1181 -15.655 -3.181 -0.550 1.00 0.00 C ATOM 554 C GLY A1181 -16.281 -4.052 0.524 1.00 0.00 C ATOM 555 O GLY A1181 -17.339 -3.724 1.061 1.00 0.00 O ATOM 0 H GLY A1181 -15.364 -1.160 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -15.923 -3.574 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.569 -3.238 -0.469 1.00 0.00 H new ATOM 559 N ARG A1182 -15.632 -5.175 0.824 1.00 0.00 N ATOM 560 CA ARG A1182 -16.136 -6.110 1.825 1.00 0.00 C ATOM 561 C ARG A1182 -15.035 -6.581 2.781 1.00 0.00 C ATOM 562 O ARG A1182 -15.255 -7.487 3.585 1.00 0.00 O ATOM 563 CB ARG A1182 -16.760 -7.316 1.122 1.00 0.00 C ATOM 564 CG ARG A1182 -18.052 -6.988 0.398 1.00 0.00 C ATOM 565 CD ARG A1182 -18.765 -8.247 -0.069 1.00 0.00 C ATOM 566 NE ARG A1182 -20.096 -7.958 -0.598 1.00 0.00 N ATOM 567 CZ ARG A1182 -21.126 -7.576 0.154 1.00 0.00 C ATOM 568 NH1 ARG A1182 -20.981 -7.431 1.465 1.00 0.00 N ATOM 569 NH2 ARG A1182 -22.303 -7.337 -0.407 1.00 0.00 N ATOM 0 H ARG A1182 -14.755 -5.459 0.387 1.00 0.00 H new ATOM 0 HA ARG A1182 -16.885 -5.589 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -16.044 -7.721 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.952 -8.097 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -18.707 -6.422 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.838 -6.351 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.168 -8.738 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -18.850 -8.946 0.763 1.00 0.00 H new ATOM 0 HE ARG A1182 -20.245 -8.055 -1.602 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -20.077 -7.612 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -21.773 -7.138 2.036 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -22.419 -7.446 -1.414 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -23.092 -7.044 0.169 1.00 0.00 H new ATOM 583 N ASN A1183 -13.851 -5.977 2.689 1.00 0.00 N ATOM 584 CA ASN A1183 -12.730 -6.361 3.549 1.00 0.00 C ATOM 585 C ASN A1183 -12.380 -7.837 3.367 1.00 0.00 C ATOM 586 O ASN A1183 -11.711 -8.434 4.210 1.00 0.00 O ATOM 587 CB ASN A1183 -13.065 -6.099 5.019 1.00 0.00 C ATOM 588 CG ASN A1183 -11.856 -5.654 5.819 1.00 0.00 C ATOM 589 OD1 ASN A1183 -11.356 -6.389 6.669 1.00 0.00 O ATOM 590 ND2 ASN A1183 -11.379 -4.444 5.548 1.00 0.00 N ATOM 0 H ASN A1183 -13.643 -5.225 2.033 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.871 -5.755 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.839 -5.335 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -13.476 -7.006 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -10.566 -4.091 6.053 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -11.825 -3.868 4.834 1.00 0.00 H new ATOM 597 N ILE A1184 -12.844 -8.419 2.267 1.00 0.00 N ATOM 598 CA ILE A1184 -12.590 -9.825 1.976 1.00 0.00 C ATOM 599 C ILE A1184 -11.275 -10.006 1.227 1.00 0.00 C ATOM 600 O ILE A1184 -10.685 -11.085 1.235 1.00 0.00 O ATOM 601 CB ILE A1184 -13.757 -10.454 1.177 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.649 -10.161 -0.326 1.00 0.00 C ATOM 603 CG2 ILE A1184 -15.081 -9.940 1.713 1.00 0.00 C ATOM 604 CD1 ILE A1184 -13.678 -8.689 -0.674 1.00 0.00 C ATOM 0 H ILE A1184 -13.400 -7.937 1.560 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.513 -10.344 2.931 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.702 -11.535 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -12.723 -10.594 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -14.468 -10.661 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.900 -10.385 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -15.177 -10.210 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -15.118 -8.855 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -13.597 -8.569 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.615 -8.252 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -12.843 -8.184 -0.189 1.00 0.00 H new ATOM 616 N LYS A1185 -10.818 -8.934 0.592 1.00 0.00 N ATOM 617 CA LYS A1185 -9.569 -8.959 -0.150 1.00 0.00 C ATOM 618 C LYS A1185 -8.479 -8.259 0.646 1.00 0.00 C ATOM 619 O LYS A1185 -7.310 -8.634 0.574 1.00 0.00 O ATOM 620 CB LYS A1185 -9.741 -8.272 -1.504 1.00 0.00 C ATOM 621 CG LYS A1185 -8.796 -8.789 -2.574 1.00 0.00 C ATOM 622 CD LYS A1185 -9.465 -8.824 -3.939 1.00 0.00 C ATOM 623 CE LYS A1185 -10.288 -10.088 -4.124 1.00 0.00 C ATOM 624 NZ LYS A1185 -11.011 -10.096 -5.426 1.00 0.00 N ATOM 0 H LYS A1185 -11.298 -8.034 0.578 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.283 -9.998 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.768 -8.407 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.585 -7.200 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -7.911 -8.154 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -8.457 -9.790 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -10.107 -7.951 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -8.706 -8.766 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -9.634 -10.958 -4.067 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -11.007 -10.175 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -11.560 -10.975 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -11.654 -9.280 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -10.324 -10.039 -6.205 1.00 0.00 H new ATOM 638 N LYS A1186 -8.888 -7.238 1.408 1.00 0.00 N ATOM 639 CA LYS A1186 -7.968 -6.450 2.243 1.00 0.00 C ATOM 640 C LYS A1186 -6.510 -6.629 1.816 1.00 0.00 C ATOM 641 O LYS A1186 -5.775 -7.418 2.407 1.00 0.00 O ATOM 642 CB LYS A1186 -8.131 -6.835 3.715 1.00 0.00 C ATOM 643 CG LYS A1186 -8.116 -5.644 4.659 1.00 0.00 C ATOM 644 CD LYS A1186 -6.799 -5.548 5.417 1.00 0.00 C ATOM 645 CE LYS A1186 -6.170 -4.170 5.272 1.00 0.00 C ATOM 646 NZ LYS A1186 -4.988 -4.004 6.163 1.00 0.00 N ATOM 0 H LYS A1186 -9.860 -6.934 1.465 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.225 -5.399 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -9.070 -7.375 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.330 -7.520 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -8.278 -4.727 4.092 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.939 -5.730 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -6.969 -5.762 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.108 -6.305 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -5.869 -4.015 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -6.911 -3.406 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -4.588 -3.053 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -5.280 -4.126 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.270 -4.717 5.923 1.00 0.00 H new ATOM 660 N GLN A1187 -6.102 -5.900 0.780 1.00 0.00 N ATOM 661 CA GLN A1187 -4.738 -5.994 0.276 1.00 0.00 C ATOM 662 C GLN A1187 -3.961 -4.712 0.547 1.00 0.00 C ATOM 663 O GLN A1187 -4.506 -3.739 1.071 1.00 0.00 O ATOM 664 CB GLN A1187 -4.745 -6.283 -1.227 1.00 0.00 C ATOM 665 CG GLN A1187 -5.773 -7.322 -1.651 1.00 0.00 C ATOM 666 CD GLN A1187 -5.245 -8.740 -1.552 1.00 0.00 C ATOM 667 OE1 GLN A1187 -5.100 -9.431 -2.560 1.00 0.00 O ATOM 668 NE2 GLN A1187 -4.954 -9.180 -0.334 1.00 0.00 N ATOM 0 H GLN A1187 -6.695 -5.241 0.276 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.246 -6.814 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -4.938 -5.355 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.754 -6.624 -1.526 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.661 -7.225 -1.027 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.082 -7.124 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.090 -8.572 0.474 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -4.594 -10.126 -0.206 1.00 0.00 H new ATOM 677 N CYS A1188 -2.682 -4.715 0.181 1.00 0.00 N ATOM 678 CA CYS A1188 -1.826 -3.553 0.377 1.00 0.00 C ATOM 679 C CYS A1188 -2.202 -2.440 -0.596 1.00 0.00 C ATOM 680 O CYS A1188 -2.179 -2.631 -1.812 1.00 0.00 O ATOM 681 CB CYS A1188 -0.357 -3.937 0.190 1.00 0.00 C ATOM 682 SG CYS A1188 0.472 -4.442 1.716 1.00 0.00 S ATOM 0 H CYS A1188 -2.217 -5.512 -0.254 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.969 -3.190 1.395 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.294 -4.751 -0.532 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.178 -3.089 -0.238 1.00 0.00 H new ATOM 0 HG CYS A1188 1.708 -4.750 1.457 1.00 0.00 H new ATOM 688 N CYS A1189 -2.550 -1.278 -0.052 1.00 0.00 N ATOM 689 CA CYS A1189 -2.934 -0.132 -0.870 1.00 0.00 C ATOM 690 C CYS A1189 -1.897 0.143 -1.959 1.00 0.00 C ATOM 691 O CYS A1189 -0.702 0.255 -1.684 1.00 0.00 O ATOM 692 CB CYS A1189 -3.123 1.102 0.015 1.00 0.00 C ATOM 693 SG CYS A1189 -3.237 2.663 -0.891 1.00 0.00 S ATOM 0 H CYS A1189 -2.574 -1.105 0.953 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.878 -0.364 -1.362 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.029 0.973 0.608 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.290 1.163 0.715 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.487 2.993 -1.031 1.00 0.00 H new ATOM 698 N LYS A1190 -2.374 0.248 -3.194 1.00 0.00 N ATOM 699 CA LYS A1190 -1.512 0.505 -4.341 1.00 0.00 C ATOM 700 C LYS A1190 -0.740 1.813 -4.182 1.00 0.00 C ATOM 701 O LYS A1190 0.410 1.919 -4.608 1.00 0.00 O ATOM 702 CB LYS A1190 -2.350 0.537 -5.621 1.00 0.00 C ATOM 703 CG LYS A1190 -3.153 -0.735 -5.845 1.00 0.00 C ATOM 704 CD LYS A1190 -3.250 -1.087 -7.321 1.00 0.00 C ATOM 705 CE LYS A1190 -4.485 -0.478 -7.964 1.00 0.00 C ATOM 706 NZ LYS A1190 -4.365 0.999 -8.113 1.00 0.00 N ATOM 0 H LYS A1190 -3.363 0.158 -3.427 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.782 -0.302 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -3.032 1.386 -5.580 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.691 0.698 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.687 -1.559 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.155 -0.610 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -2.358 -0.734 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -3.277 -2.171 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.644 -0.930 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -5.361 -0.711 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -5.242 1.379 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -4.205 1.430 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -3.565 1.221 -8.739 1.00 0.00 H new ATOM 720 N MET A1191 -1.373 2.810 -3.569 1.00 0.00 N ATOM 721 CA MET A1191 -0.736 4.105 -3.361 1.00 0.00 C ATOM 722 C MET A1191 0.179 4.084 -2.137 1.00 0.00 C ATOM 723 O MET A1191 0.971 5.001 -1.937 1.00 0.00 O ATOM 724 CB MET A1191 -1.797 5.190 -3.184 1.00 0.00 C ATOM 725 CG MET A1191 -2.790 5.263 -4.331 1.00 0.00 C ATOM 726 SD MET A1191 -2.214 6.308 -5.684 1.00 0.00 S ATOM 727 CE MET A1191 -2.132 7.900 -4.869 1.00 0.00 C ATOM 0 H MET A1191 -2.325 2.745 -3.209 1.00 0.00 H new ATOM 0 HA MET A1191 -0.131 4.323 -4.241 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.339 5.008 -2.256 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.303 6.156 -3.080 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.978 4.258 -4.708 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.740 5.647 -3.960 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.286 8.692 -5.602 1.00 0.00 H new ATOM 0 HE2 MET A1191 -2.907 7.958 -4.104 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.154 8.021 -4.404 1.00 0.00 H new ATOM 737 N ARG A1192 0.051 3.046 -1.316 1.00 0.00 N ATOM 738 CA ARG A1192 0.853 2.916 -0.105 1.00 0.00 C ATOM 739 C ARG A1192 2.111 2.095 -0.342 1.00 0.00 C ATOM 740 O ARG A1192 3.140 2.312 0.298 1.00 0.00 O ATOM 741 CB ARG A1192 0.024 2.251 0.983 1.00 0.00 C ATOM 742 CG ARG A1192 -0.944 3.197 1.663 1.00 0.00 C ATOM 743 CD ARG A1192 -1.828 2.476 2.668 1.00 0.00 C ATOM 744 NE ARG A1192 -1.599 2.943 4.032 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.173 2.403 5.104 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.013 1.383 4.975 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.907 2.883 6.310 1.00 0.00 N ATOM 0 H ARG A1192 -0.604 2.279 -1.469 1.00 0.00 H new ATOM 0 HA ARG A1192 1.155 3.918 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.534 1.422 0.549 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.693 1.827 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.387 3.985 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.568 3.680 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.875 2.627 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.637 1.404 2.615 1.00 0.00 H new ATOM 0 HE ARG A1192 -0.963 3.728 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.222 1.008 4.050 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.449 0.974 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.262 3.666 6.416 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.347 2.469 7.132 1.00 0.00 H new ATOM 761 N LYS A1193 2.011 1.137 -1.248 1.00 0.00 N ATOM 762 CA LYS A1193 3.136 0.257 -1.558 1.00 0.00 C ATOM 763 C LYS A1193 4.380 1.063 -1.920 1.00 0.00 C ATOM 764 O LYS A1193 4.352 1.909 -2.813 1.00 0.00 O ATOM 765 CB LYS A1193 2.770 -0.693 -2.704 1.00 0.00 C ATOM 766 CG LYS A1193 2.776 -0.036 -4.075 1.00 0.00 C ATOM 767 CD LYS A1193 2.047 -0.885 -5.104 1.00 0.00 C ATOM 768 CE LYS A1193 2.072 -0.239 -6.479 1.00 0.00 C ATOM 769 NZ LYS A1193 1.175 -0.941 -7.439 1.00 0.00 N ATOM 0 H LYS A1193 1.165 0.945 -1.784 1.00 0.00 H new ATOM 0 HA LYS A1193 3.359 -0.331 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A1193 3.471 -1.528 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A1193 1.780 -1.109 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.305 0.945 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A1193 3.805 0.125 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A1193 2.508 -1.871 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS A1193 1.014 -1.033 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A1193 1.769 0.805 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A1193 3.092 -0.245 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 1.221 -0.470 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 1.480 -1.930 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 0.198 -0.914 -7.084 1.00 0.00 H new ATOM 783 N CYS A1194 5.467 0.797 -1.202 1.00 0.00 N ATOM 784 CA CYS A1194 6.726 1.496 -1.421 1.00 0.00 C ATOM 785 C CYS A1194 7.261 1.259 -2.831 1.00 0.00 C ATOM 786 O CYS A1194 7.064 0.195 -3.418 1.00 0.00 O ATOM 787 CB CYS A1194 7.761 1.059 -0.384 1.00 0.00 C ATOM 788 SG CYS A1194 9.401 1.784 -0.622 1.00 0.00 S ATOM 0 H CYS A1194 5.499 0.098 -0.460 1.00 0.00 H new ATOM 0 HA CYS A1194 6.537 2.564 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.399 1.326 0.609 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.849 -0.027 -0.410 1.00 0.00 H new ATOM 0 HG CYS A1194 9.280 3.044 -0.916 1.00 0.00 H new ATOM 793 N GLN A1195 7.931 2.274 -3.359 1.00 0.00 N ATOM 794 CA GLN A1195 8.501 2.225 -4.694 1.00 0.00 C ATOM 795 C GLN A1195 10.012 2.011 -4.651 1.00 0.00 C ATOM 796 O GLN A1195 10.594 1.451 -5.580 1.00 0.00 O ATOM 797 CB GLN A1195 8.192 3.536 -5.415 1.00 0.00 C ATOM 798 CG GLN A1195 6.870 3.518 -6.157 1.00 0.00 C ATOM 799 CD GLN A1195 6.758 4.630 -7.181 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.041 4.433 -8.363 1.00 0.00 O ATOM 801 NE2 GLN A1195 6.344 5.809 -6.731 1.00 0.00 N ATOM 0 H GLN A1195 8.094 3.155 -2.871 1.00 0.00 H new ATOM 0 HA GLN A1195 8.059 1.383 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.181 4.348 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.994 3.751 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.752 2.556 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A1195 6.054 3.607 -5.440 1.00 0.00 H new ATOM 0 HE21 GLN A1195 6.120 5.928 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A1195 6.250 6.596 -7.373 1.00 0.00 H new ATOM 810 N ASN A1196 10.646 2.477 -3.579 1.00 0.00 N ATOM 811 CA ASN A1196 12.090 2.351 -3.436 1.00 0.00 C ATOM 812 C ASN A1196 12.468 1.780 -2.075 1.00 0.00 C ATOM 813 O ASN A1196 12.184 2.371 -1.035 1.00 0.00 O ATOM 814 CB ASN A1196 12.753 3.716 -3.653 1.00 0.00 C ATOM 815 CG ASN A1196 14.196 3.762 -3.188 1.00 0.00 C ATOM 816 OD1 ASN A1196 15.002 2.898 -3.536 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.526 4.774 -2.396 1.00 0.00 N ATOM 0 H ASN A1196 10.183 2.944 -2.799 1.00 0.00 H new ATOM 0 HA ASN A1196 12.450 1.654 -4.193 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.712 3.968 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.183 4.478 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.481 4.860 -2.049 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.824 5.466 -2.134 1.00 0.00 H new ATOM 824 N LEU A1197 13.116 0.625 -2.102 1.00 0.00 N ATOM 825 CA LEU A1197 13.544 -0.043 -0.883 1.00 0.00 C ATOM 826 C LEU A1197 15.001 -0.474 -0.988 1.00 0.00 C ATOM 827 O LEU A1197 15.532 -0.633 -2.088 1.00 0.00 O ATOM 828 CB LEU A1197 12.676 -1.270 -0.628 1.00 0.00 C ATOM 829 CG LEU A1197 11.207 -1.139 -1.045 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.885 -2.081 -2.190 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.294 -1.423 0.129 1.00 0.00 C ATOM 0 H LEU A1197 13.358 0.129 -2.960 1.00 0.00 H new ATOM 0 HA LEU A1197 13.440 0.660 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A1197 13.111 -2.117 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.714 -1.505 0.436 1.00 0.00 H new ATOM 0 HG LEU A1197 11.043 -0.115 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.837 -1.970 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.515 -1.842 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A1197 11.071 -3.109 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.255 -1.325 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.470 -2.436 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.499 -0.712 0.930 1.00 0.00 H new