USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=12 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 -84:sc= -0.529 USER MOD Set 1.2: A1158 CYS SG : rot -54:sc= 2.04 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= 0.485 USER MOD Set 1.4: A1194 CYS SG : rot 47:sc= -3.29! USER MOD Set 2.1: A1167 CYS SG : rot -25:sc= 0.679 USER MOD Set 2.2: A1170 CYS SG : rot -92:sc= 0.981 USER MOD Set 2.3: A1173 CYS SG : rot 60:sc= -1.38! USER MOD Set 2.4: A1189 CYS SG : rot 97:sc= -0.31 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -2.62! C(o=-2.6!,f=-2.3!) USER MOD Single : A1171 THR OG1 : rot 180:sc= 0 USER MOD Single : A1172 ASN : amide:sc= -4.69 K(o=-4.7,f=-3.9!) USER MOD Single : A1176 LYS NZ :NH3+ 169:sc= -0.524 (180deg=-0.721) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -0.13 X(o=-0.13,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= 0.456 K(o=0.46,f=-0.91) 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 -154:sc= -0.173 (180deg=-0.755) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= -0.613 K(o=-0.61,f=0) USER MOD Single : A1196 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.874 -0.571 3.098 1.00 0.00 N ATOM 179 CA ARG A1154 11.307 0.614 2.473 1.00 0.00 C ATOM 180 C ARG A1154 12.117 1.856 2.804 1.00 0.00 C ATOM 181 O ARG A1154 12.600 2.028 3.923 1.00 0.00 O ATOM 182 CB ARG A1154 9.853 0.808 2.910 1.00 0.00 C ATOM 183 CG ARG A1154 9.082 -0.493 3.026 1.00 0.00 C ATOM 184 CD ARG A1154 7.580 -0.266 2.953 1.00 0.00 C ATOM 185 NE ARG A1154 6.845 -1.517 2.779 1.00 0.00 N ATOM 186 CZ ARG A1154 5.549 -1.659 3.045 1.00 0.00 C ATOM 187 NH1 ARG A1154 4.840 -0.633 3.498 1.00 0.00 N ATOM 188 NH2 ARG A1154 4.959 -2.833 2.859 1.00 0.00 N ATOM 0 HA ARG A1154 11.338 0.464 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.835 1.320 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.350 1.458 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A1154 9.387 -1.169 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.331 -0.981 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A1154 7.243 0.228 3.864 1.00 0.00 H new ATOM 0 HD3 ARG A1154 7.355 0.405 2.124 1.00 0.00 H new ATOM 0 HE ARG A1154 7.356 -2.329 2.433 1.00 0.00 H new ATOM 0 HH11 ARG A1154 5.288 0.272 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A1154 3.847 -0.749 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A1154 5.499 -3.626 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A1154 3.966 -2.942 3.063 1.00 0.00 H new ATOM 202 N CYS A1155 12.260 2.709 1.808 1.00 0.00 N ATOM 203 CA CYS A1155 13.013 3.947 1.948 1.00 0.00 C ATOM 204 C CYS A1155 12.431 4.837 3.044 1.00 0.00 C ATOM 205 O CYS A1155 13.149 5.288 3.935 1.00 0.00 O ATOM 206 CB CYS A1155 13.036 4.696 0.616 1.00 0.00 C ATOM 207 SG CYS A1155 11.402 5.047 -0.073 1.00 0.00 S ATOM 0 H CYS A1155 11.860 2.567 0.881 1.00 0.00 H new ATOM 0 HA CYS A1155 14.032 3.690 2.237 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.569 5.637 0.752 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.603 4.109 -0.107 1.00 0.00 H new ATOM 0 HG CYS A1155 10.978 4.011 -0.733 1.00 0.00 H new ATOM 213 N GLY A1156 11.128 5.081 2.974 1.00 0.00 N ATOM 214 CA GLY A1156 10.477 5.914 3.970 1.00 0.00 C ATOM 215 C GLY A1156 10.337 7.363 3.536 1.00 0.00 C ATOM 216 O GLY A1156 10.196 8.251 4.376 1.00 0.00 O ATOM 0 H GLY A1156 10.511 4.718 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.488 5.508 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A1156 11.047 5.872 4.898 1.00 0.00 H new ATOM 220 N GLN A1157 10.382 7.609 2.228 1.00 0.00 N ATOM 221 CA GLN A1157 10.265 8.969 1.709 1.00 0.00 C ATOM 222 C GLN A1157 9.739 8.978 0.276 1.00 0.00 C ATOM 223 O GLN A1157 9.978 9.924 -0.475 1.00 0.00 O ATOM 224 CB GLN A1157 11.620 9.676 1.769 1.00 0.00 C ATOM 225 CG GLN A1157 12.005 10.134 3.166 1.00 0.00 C ATOM 226 CD GLN A1157 12.702 11.480 3.166 1.00 0.00 C ATOM 227 OE1 GLN A1157 12.258 12.421 3.825 1.00 0.00 O ATOM 228 NE2 GLN A1157 13.798 11.581 2.425 1.00 0.00 N ATOM 0 H GLN A1157 10.498 6.890 1.514 1.00 0.00 H new ATOM 0 HA GLN A1157 9.550 9.502 2.335 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.389 9.002 1.392 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.599 10.540 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.110 10.192 3.785 1.00 0.00 H new ATOM 0 HG3 GLN A1157 12.659 9.390 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A1157 14.131 10.776 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A1157 14.308 12.464 2.386 1.00 0.00 H new ATOM 237 N CYS A1158 9.011 7.930 -0.096 1.00 0.00 N ATOM 238 CA CYS A1158 8.443 7.832 -1.436 1.00 0.00 C ATOM 239 C CYS A1158 6.926 8.002 -1.377 1.00 0.00 C ATOM 240 O CYS A1158 6.347 8.094 -0.293 1.00 0.00 O ATOM 241 CB CYS A1158 8.806 6.489 -2.077 1.00 0.00 C ATOM 242 SG CYS A1158 8.087 5.062 -1.243 1.00 0.00 S ATOM 0 H CYS A1158 8.801 7.138 0.511 1.00 0.00 H new ATOM 0 HA CYS A1158 8.861 8.629 -2.051 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.478 6.493 -3.116 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.891 6.383 -2.086 1.00 0.00 H new ATOM 0 HG CYS A1158 8.405 5.090 0.017 1.00 0.00 H new ATOM 248 N PRO A1159 6.263 8.051 -2.540 1.00 0.00 N ATOM 249 CA PRO A1159 4.808 8.219 -2.612 1.00 0.00 C ATOM 250 C PRO A1159 4.063 7.161 -1.807 1.00 0.00 C ATOM 251 O PRO A1159 2.981 7.417 -1.281 1.00 0.00 O ATOM 252 CB PRO A1159 4.514 8.087 -4.109 1.00 0.00 C ATOM 253 CG PRO A1159 5.791 8.484 -4.767 1.00 0.00 C ATOM 254 CD PRO A1159 6.870 7.951 -3.877 1.00 0.00 C ATOM 0 HA PRO A1159 4.478 9.167 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.231 7.068 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.691 8.735 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.865 8.065 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.862 9.567 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.131 6.923 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.785 8.539 -3.952 1.00 0.00 H new ATOM 262 N GLY A1160 4.649 5.973 -1.710 1.00 0.00 N ATOM 263 CA GLY A1160 4.031 4.895 -0.959 1.00 0.00 C ATOM 264 C GLY A1160 4.204 5.041 0.542 1.00 0.00 C ATOM 265 O GLY A1160 3.241 4.944 1.303 1.00 0.00 O ATOM 0 H GLY A1160 5.544 5.736 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.967 4.859 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.460 3.945 -1.278 1.00 0.00 H new ATOM 269 N CYS A1161 5.445 5.253 0.960 1.00 0.00 N ATOM 270 CA CYS A1161 5.784 5.390 2.368 1.00 0.00 C ATOM 271 C CYS A1161 5.100 6.594 3.013 1.00 0.00 C ATOM 272 O CYS A1161 4.876 6.612 4.223 1.00 0.00 O ATOM 273 CB CYS A1161 7.300 5.516 2.507 1.00 0.00 C ATOM 274 SG CYS A1161 8.200 3.993 2.137 1.00 0.00 S ATOM 0 H CYS A1161 6.244 5.335 0.331 1.00 0.00 H new ATOM 0 HA CYS A1161 5.427 4.501 2.888 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.651 6.305 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.537 5.828 3.524 1.00 0.00 H new ATOM 0 HG CYS A1161 8.878 3.625 3.183 1.00 0.00 H new ATOM 279 N GLN A1162 4.786 7.604 2.210 1.00 0.00 N ATOM 280 CA GLN A1162 4.149 8.813 2.727 1.00 0.00 C ATOM 281 C GLN A1162 2.634 8.661 2.863 1.00 0.00 C ATOM 282 O GLN A1162 1.950 9.611 3.242 1.00 0.00 O ATOM 283 CB GLN A1162 4.469 10.007 1.828 1.00 0.00 C ATOM 284 CG GLN A1162 3.798 9.945 0.467 1.00 0.00 C ATOM 285 CD GLN A1162 4.452 10.871 -0.539 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.788 11.698 -1.163 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.764 10.734 -0.702 1.00 0.00 N ATOM 0 H GLN A1162 4.960 7.612 1.205 1.00 0.00 H new ATOM 0 HA GLN A1162 4.553 8.983 3.725 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.162 10.923 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.548 10.066 1.688 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.834 8.922 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.746 10.210 0.571 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.275 10.035 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.260 11.328 -1.366 1.00 0.00 H new ATOM 296 N VAL A1163 2.103 7.480 2.554 1.00 0.00 N ATOM 297 CA VAL A1163 0.665 7.257 2.656 1.00 0.00 C ATOM 298 C VAL A1163 0.314 6.380 3.855 1.00 0.00 C ATOM 299 O VAL A1163 0.346 5.153 3.769 1.00 0.00 O ATOM 300 CB VAL A1163 0.089 6.607 1.385 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.428 6.574 1.452 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.545 7.351 0.146 1.00 0.00 C ATOM 0 H VAL A1163 2.639 6.673 2.235 1.00 0.00 H new ATOM 0 HA VAL A1163 0.219 8.243 2.785 1.00 0.00 H new ATOM 0 HB VAL A1163 0.460 5.584 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.822 6.112 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.741 5.995 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.811 7.591 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.126 6.874 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.204 8.385 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.633 7.330 0.089 1.00 0.00 H new ATOM 312 N PRO A1164 -0.042 7.002 4.992 1.00 0.00 N ATOM 313 CA PRO A1164 -0.417 6.280 6.205 1.00 0.00 C ATOM 314 C PRO A1164 -1.888 5.868 6.201 1.00 0.00 C ATOM 315 O PRO A1164 -2.368 5.237 7.141 1.00 0.00 O ATOM 316 CB PRO A1164 -0.158 7.314 7.294 1.00 0.00 C ATOM 317 CG PRO A1164 -0.474 8.617 6.644 1.00 0.00 C ATOM 318 CD PRO A1164 -0.121 8.463 5.185 1.00 0.00 C ATOM 0 HA PRO A1164 0.136 5.349 6.327 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.789 7.141 8.166 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.876 7.281 7.637 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.529 8.865 6.764 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.098 9.426 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.878 8.911 4.541 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.826 8.949 4.949 1.00 0.00 H new ATOM 326 N GLU A1165 -2.601 6.237 5.137 1.00 0.00 N ATOM 327 CA GLU A1165 -4.017 5.915 5.013 1.00 0.00 C ATOM 328 C GLU A1165 -4.318 5.259 3.668 1.00 0.00 C ATOM 329 O GLU A1165 -3.430 5.093 2.832 1.00 0.00 O ATOM 330 CB GLU A1165 -4.856 7.183 5.166 1.00 0.00 C ATOM 331 CG GLU A1165 -4.451 8.294 4.207 1.00 0.00 C ATOM 332 CD GLU A1165 -5.641 8.933 3.519 1.00 0.00 C ATOM 333 OE1 GLU A1165 -6.322 8.233 2.740 1.00 0.00 O ATOM 334 OE2 GLU A1165 -5.892 10.133 3.758 1.00 0.00 O ATOM 0 H GLU A1165 -2.218 6.760 4.349 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.273 5.210 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.905 6.937 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.768 7.547 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.899 9.058 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -3.774 7.890 3.454 1.00 0.00 H new ATOM 341 N ASP A1166 -5.582 4.896 3.470 1.00 0.00 N ATOM 342 CA ASP A1166 -6.020 4.266 2.235 1.00 0.00 C ATOM 343 C ASP A1166 -6.544 5.318 1.260 1.00 0.00 C ATOM 344 O ASP A1166 -7.514 6.013 1.565 1.00 0.00 O ATOM 345 CB ASP A1166 -7.112 3.249 2.555 1.00 0.00 C ATOM 346 CG ASP A1166 -6.603 2.123 3.434 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.593 1.491 3.062 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.211 1.880 4.497 1.00 0.00 O ATOM 0 H ASP A1166 -6.324 5.030 4.157 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.177 3.758 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.940 3.752 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.504 2.834 1.626 1.00 0.00 H new ATOM 353 N CYS A1167 -5.908 5.449 0.089 1.00 0.00 N ATOM 354 CA CYS A1167 -6.346 6.434 -0.892 1.00 0.00 C ATOM 355 C CYS A1167 -7.854 6.334 -1.099 1.00 0.00 C ATOM 356 O CYS A1167 -8.541 7.347 -1.238 1.00 0.00 O ATOM 357 CB CYS A1167 -5.594 6.257 -2.210 1.00 0.00 C ATOM 358 SG CYS A1167 -5.980 4.737 -3.100 1.00 0.00 S ATOM 0 H CYS A1167 -5.102 4.892 -0.194 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.118 7.431 -0.514 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.816 7.106 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.523 6.282 -2.008 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.401 3.838 -2.261 1.00 0.00 H new ATOM 364 N GLY A1168 -8.368 5.108 -1.060 1.00 0.00 N ATOM 365 CA GLY A1168 -9.797 4.908 -1.185 1.00 0.00 C ATOM 366 C GLY A1168 -10.314 4.876 -2.598 1.00 0.00 C ATOM 367 O GLY A1168 -11.500 5.122 -2.822 1.00 0.00 O ATOM 0 H GLY A1168 -7.822 4.254 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.061 3.970 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.309 5.705 -0.645 1.00 0.00 H new ATOM 371 N VAL A1169 -9.450 4.619 -3.559 1.00 0.00 N ATOM 372 CA VAL A1169 -9.884 4.617 -4.942 1.00 0.00 C ATOM 373 C VAL A1169 -9.190 3.557 -5.798 1.00 0.00 C ATOM 374 O VAL A1169 -9.543 3.375 -6.964 1.00 0.00 O ATOM 375 CB VAL A1169 -9.675 6.013 -5.522 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.449 7.017 -4.673 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.195 6.348 -5.537 1.00 0.00 C ATOM 0 H VAL A1169 -8.462 4.412 -3.414 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.941 4.352 -4.959 1.00 0.00 H new ATOM 0 HB VAL A1169 -10.041 6.053 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.308 8.020 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.509 6.765 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.083 6.984 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -8.052 7.346 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.805 6.319 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.663 5.620 -6.150 1.00 0.00 H new ATOM 387 N CYS A1170 -8.236 2.830 -5.222 1.00 0.00 N ATOM 388 CA CYS A1170 -7.560 1.768 -5.957 1.00 0.00 C ATOM 389 C CYS A1170 -8.264 0.447 -5.668 1.00 0.00 C ATOM 390 O CYS A1170 -8.976 0.331 -4.680 1.00 0.00 O ATOM 391 CB CYS A1170 -6.074 1.695 -5.595 1.00 0.00 C ATOM 392 SG CYS A1170 -5.738 1.305 -3.865 1.00 0.00 S ATOM 0 H CYS A1170 -7.918 2.955 -4.261 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.612 1.981 -7.025 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.598 0.942 -6.222 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.608 2.651 -5.835 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.631 2.407 -3.184 1.00 0.00 H new ATOM 398 N THR A1171 -8.098 -0.536 -6.536 1.00 0.00 N ATOM 399 CA THR A1171 -8.775 -1.830 -6.357 1.00 0.00 C ATOM 400 C THR A1171 -8.652 -2.353 -4.922 1.00 0.00 C ATOM 401 O THR A1171 -9.617 -2.868 -4.351 1.00 0.00 O ATOM 402 CB THR A1171 -8.239 -2.887 -7.343 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.631 -3.967 -6.653 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.223 -2.356 -8.328 1.00 0.00 C ATOM 0 H THR A1171 -7.509 -0.475 -7.367 1.00 0.00 H new ATOM 0 HA THR A1171 -9.830 -1.655 -6.565 1.00 0.00 H new ATOM 0 HB THR A1171 -9.120 -3.209 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.301 -4.624 -7.300 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.897 -3.163 -8.985 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.674 -1.563 -8.924 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.364 -1.959 -7.787 1.00 0.00 H new ATOM 412 N ASN A1172 -7.463 -2.232 -4.352 1.00 0.00 N ATOM 413 CA ASN A1172 -7.202 -2.710 -2.998 1.00 0.00 C ATOM 414 C ASN A1172 -8.005 -1.947 -1.947 1.00 0.00 C ATOM 415 O ASN A1172 -8.650 -2.545 -1.088 1.00 0.00 O ATOM 416 CB ASN A1172 -5.715 -2.585 -2.690 1.00 0.00 C ATOM 417 CG ASN A1172 -4.847 -3.220 -3.760 1.00 0.00 C ATOM 418 OD1 ASN A1172 -5.061 -4.368 -4.148 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.864 -2.471 -4.245 1.00 0.00 N ATOM 0 H ASN A1172 -6.657 -1.804 -4.808 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.513 -3.754 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.454 -1.531 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.505 -3.055 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -3.249 -2.843 -4.969 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.723 -1.524 -3.893 1.00 0.00 H new ATOM 426 N CYS A1173 -7.955 -0.628 -2.023 1.00 0.00 N ATOM 427 CA CYS A1173 -8.669 0.224 -1.082 1.00 0.00 C ATOM 428 C CYS A1173 -10.157 0.065 -1.284 1.00 0.00 C ATOM 429 O CYS A1173 -10.907 -0.159 -0.344 1.00 0.00 O ATOM 430 CB CYS A1173 -8.259 1.679 -1.275 1.00 0.00 C ATOM 431 SG CYS A1173 -6.648 2.071 -0.563 1.00 0.00 S ATOM 0 H CYS A1173 -7.425 -0.120 -2.730 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.415 -0.073 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.241 1.905 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -9.014 2.324 -0.825 1.00 0.00 H new ATOM 0 HG CYS A1173 -5.736 1.330 -1.119 1.00 0.00 H new ATOM 436 N LEU A1174 -10.568 0.152 -2.530 1.00 0.00 N ATOM 437 CA LEU A1174 -11.957 -0.012 -2.888 1.00 0.00 C ATOM 438 C LEU A1174 -12.435 -1.390 -2.470 1.00 0.00 C ATOM 439 O LEU A1174 -13.619 -1.603 -2.207 1.00 0.00 O ATOM 440 CB LEU A1174 -12.107 0.209 -4.382 1.00 0.00 C ATOM 441 CG LEU A1174 -11.582 1.560 -4.840 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.641 1.680 -6.353 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.368 2.666 -4.154 1.00 0.00 C ATOM 0 H LEU A1174 -9.950 0.338 -3.320 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.575 0.720 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.577 -0.580 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.160 0.124 -4.652 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.534 1.656 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.260 2.655 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -11.032 0.897 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.673 1.574 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.993 3.636 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.423 2.578 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.253 2.578 -3.074 1.00 0.00 H new ATOM 455 N ASP A1175 -11.489 -2.317 -2.377 1.00 0.00 N ATOM 456 CA ASP A1175 -11.785 -3.670 -1.954 1.00 0.00 C ATOM 457 C ASP A1175 -12.141 -3.697 -0.464 1.00 0.00 C ATOM 458 O ASP A1175 -12.655 -4.696 0.033 1.00 0.00 O ATOM 459 CB ASP A1175 -10.579 -4.573 -2.227 1.00 0.00 C ATOM 460 CG ASP A1175 -10.789 -5.467 -3.433 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.903 -6.012 -3.580 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.840 -5.620 -4.230 1.00 0.00 O ATOM 0 H ASP A1175 -10.506 -2.149 -2.592 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.641 -4.038 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.695 -3.956 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.384 -5.190 -1.350 1.00 0.00 H new ATOM 467 N LYS A1176 -11.864 -2.592 0.244 1.00 0.00 N ATOM 468 CA LYS A1176 -12.158 -2.496 1.674 1.00 0.00 C ATOM 469 C LYS A1176 -13.633 -2.201 1.915 1.00 0.00 C ATOM 470 O LYS A1176 -14.336 -1.743 1.017 1.00 0.00 O ATOM 471 CB LYS A1176 -11.311 -1.397 2.315 1.00 0.00 C ATOM 472 CG LYS A1176 -9.933 -1.860 2.749 1.00 0.00 C ATOM 473 CD LYS A1176 -8.838 -1.008 2.132 1.00 0.00 C ATOM 474 CE LYS A1176 -7.749 -0.687 3.140 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.242 -1.912 3.818 1.00 0.00 N ATOM 0 H LYS A1176 -11.437 -1.755 -0.154 1.00 0.00 H new ATOM 0 HA LYS A1176 -11.916 -3.457 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.202 -0.576 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.841 -1.002 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -9.860 -1.817 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.791 -2.901 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -8.404 -1.532 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.267 -0.081 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -6.924 -0.183 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -8.138 0.006 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.382 -1.681 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -7.969 -2.275 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.021 -2.637 3.106 1.00 0.00 H new ATOM 489 N PRO A1177 -14.122 -2.445 3.144 1.00 0.00 N ATOM 490 CA PRO A1177 -15.520 -2.190 3.503 1.00 0.00 C ATOM 491 C PRO A1177 -15.853 -0.702 3.512 1.00 0.00 C ATOM 492 O PRO A1177 -16.952 -0.296 3.134 1.00 0.00 O ATOM 493 CB PRO A1177 -15.643 -2.776 4.911 1.00 0.00 C ATOM 494 CG PRO A1177 -14.258 -2.744 5.457 1.00 0.00 C ATOM 495 CD PRO A1177 -13.346 -2.970 4.284 1.00 0.00 C ATOM 0 HA PRO A1177 -16.211 -2.632 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.325 -2.189 5.526 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.034 -3.793 4.884 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.049 -1.787 5.935 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.119 -3.516 6.214 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.399 -2.443 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.109 -4.026 4.157 1.00 0.00 H new ATOM 503 N LYS A1178 -14.894 0.106 3.955 1.00 0.00 N ATOM 504 CA LYS A1178 -15.077 1.552 4.027 1.00 0.00 C ATOM 505 C LYS A1178 -15.077 2.191 2.639 1.00 0.00 C ATOM 506 O LYS A1178 -15.450 3.354 2.486 1.00 0.00 O ATOM 507 CB LYS A1178 -13.976 2.178 4.888 1.00 0.00 C ATOM 508 CG LYS A1178 -12.608 2.184 4.222 1.00 0.00 C ATOM 509 CD LYS A1178 -11.624 3.057 4.983 1.00 0.00 C ATOM 510 CE LYS A1178 -10.524 2.227 5.622 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.666 3.042 6.528 1.00 0.00 N ATOM 0 H LYS A1178 -13.980 -0.218 4.270 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.049 1.741 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.256 3.203 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -13.909 1.633 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.225 1.165 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.702 2.546 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -11.183 3.787 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -12.153 3.617 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -10.969 1.407 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -9.907 1.781 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -8.928 2.438 6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -9.221 3.810 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -10.250 3.447 7.287 1.00 0.00 H new ATOM 525 N PHE A1179 -14.650 1.435 1.631 1.00 0.00 N ATOM 526 CA PHE A1179 -14.598 1.947 0.267 1.00 0.00 C ATOM 527 C PHE A1179 -15.597 1.225 -0.633 1.00 0.00 C ATOM 528 O PHE A1179 -15.424 1.170 -1.851 1.00 0.00 O ATOM 529 CB PHE A1179 -13.182 1.810 -0.293 1.00 0.00 C ATOM 530 CG PHE A1179 -12.206 2.731 0.374 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.405 4.097 0.327 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.106 2.237 1.068 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.540 4.957 0.959 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.226 3.097 1.694 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.445 4.461 1.645 1.00 0.00 C ATOM 0 H PHE A1179 -14.336 0.470 1.733 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.870 3.002 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.845 0.780 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.197 2.016 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.251 4.494 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.939 1.171 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.715 6.022 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.369 2.705 2.221 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.764 5.137 2.140 1.00 0.00 H new ATOM 545 N GLY A1180 -16.649 0.681 -0.027 1.00 0.00 N ATOM 546 CA GLY A1180 -17.666 -0.022 -0.789 1.00 0.00 C ATOM 547 C GLY A1180 -17.399 -1.510 -0.908 1.00 0.00 C ATOM 548 O GLY A1180 -18.299 -2.283 -1.240 1.00 0.00 O ATOM 0 H GLY A1180 -16.815 0.715 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.636 0.130 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.727 0.411 -1.787 1.00 0.00 H new ATOM 552 N GLY A1181 -16.162 -1.917 -0.640 1.00 0.00 N ATOM 553 CA GLY A1181 -15.807 -3.323 -0.726 1.00 0.00 C ATOM 554 C GLY A1181 -16.041 -4.068 0.575 1.00 0.00 C ATOM 555 O GLY A1181 -17.094 -3.932 1.197 1.00 0.00 O ATOM 0 H GLY A1181 -15.399 -1.299 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -16.390 -3.793 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.758 -3.412 -1.007 1.00 0.00 H new ATOM 559 N ARG A1182 -15.054 -4.862 0.984 1.00 0.00 N ATOM 560 CA ARG A1182 -15.152 -5.639 2.217 1.00 0.00 C ATOM 561 C ARG A1182 -13.766 -5.906 2.796 1.00 0.00 C ATOM 562 O ARG A1182 -12.753 -5.549 2.199 1.00 0.00 O ATOM 563 CB ARG A1182 -15.870 -6.966 1.957 1.00 0.00 C ATOM 564 CG ARG A1182 -17.023 -6.860 0.973 1.00 0.00 C ATOM 565 CD ARG A1182 -17.783 -8.172 0.860 1.00 0.00 C ATOM 566 NE ARG A1182 -18.673 -8.192 -0.298 1.00 0.00 N ATOM 567 CZ ARG A1182 -19.162 -9.306 -0.840 1.00 0.00 C ATOM 568 NH1 ARG A1182 -18.852 -10.491 -0.330 1.00 0.00 N ATOM 569 NH2 ARG A1182 -19.963 -9.233 -1.894 1.00 0.00 N ATOM 0 H ARG A1182 -14.176 -4.984 0.479 1.00 0.00 H new ATOM 0 HA ARG A1182 -15.728 -5.059 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.148 -7.690 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.247 -7.355 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -17.704 -6.071 1.292 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -16.641 -6.574 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -17.074 -8.996 0.786 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -18.365 -8.333 1.767 1.00 0.00 H new ATOM 0 HE ARG A1182 -18.936 -7.300 -0.717 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -18.236 -10.552 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -19.229 -11.341 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -20.204 -8.324 -2.289 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -20.338 -10.086 -2.310 1.00 0.00 H new ATOM 583 N ASN A1183 -13.724 -6.541 3.960 1.00 0.00 N ATOM 584 CA ASN A1183 -12.454 -6.855 4.608 1.00 0.00 C ATOM 585 C ASN A1183 -12.044 -8.296 4.319 1.00 0.00 C ATOM 586 O ASN A1183 -11.341 -8.925 5.110 1.00 0.00 O ATOM 587 CB ASN A1183 -12.562 -6.630 6.116 1.00 0.00 C ATOM 588 CG ASN A1183 -11.281 -6.079 6.711 1.00 0.00 C ATOM 589 OD1 ASN A1183 -10.593 -6.760 7.472 1.00 0.00 O ATOM 590 ND2 ASN A1183 -10.955 -4.838 6.367 1.00 0.00 N ATOM 0 H ASN A1183 -14.550 -6.848 4.474 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.688 -6.192 4.205 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.381 -5.940 6.320 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -12.810 -7.572 6.604 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -10.105 -4.413 6.737 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -11.555 -4.310 5.733 1.00 0.00 H new ATOM 597 N ILE A1184 -12.497 -8.812 3.181 1.00 0.00 N ATOM 598 CA ILE A1184 -12.190 -10.179 2.777 1.00 0.00 C ATOM 599 C ILE A1184 -10.877 -10.247 2.006 1.00 0.00 C ATOM 600 O ILE A1184 -10.039 -11.112 2.258 1.00 0.00 O ATOM 601 CB ILE A1184 -13.335 -10.774 1.923 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.238 -10.316 0.462 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.675 -10.366 2.509 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.382 -10.800 -0.403 1.00 0.00 C ATOM 0 H ILE A1184 -13.081 -8.301 2.519 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.086 -10.771 3.686 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.244 -11.860 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.207 -9.227 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.298 -10.673 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.479 -10.787 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.754 -10.739 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.755 -9.279 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.246 -10.438 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.401 -11.890 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.324 -10.421 -0.006 1.00 0.00 H new ATOM 616 N LYS A1185 -10.709 -9.326 1.063 1.00 0.00 N ATOM 617 CA LYS A1185 -9.504 -9.276 0.250 1.00 0.00 C ATOM 618 C LYS A1185 -8.437 -8.426 0.922 1.00 0.00 C ATOM 619 O LYS A1185 -7.265 -8.799 0.949 1.00 0.00 O ATOM 620 CB LYS A1185 -9.819 -8.706 -1.134 1.00 0.00 C ATOM 621 CG LYS A1185 -8.884 -9.203 -2.224 1.00 0.00 C ATOM 622 CD LYS A1185 -9.621 -9.414 -3.536 1.00 0.00 C ATOM 623 CE LYS A1185 -8.681 -9.886 -4.633 1.00 0.00 C ATOM 624 NZ LYS A1185 -8.626 -11.373 -4.718 1.00 0.00 N ATOM 0 H LYS A1185 -11.395 -8.604 0.844 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.127 -10.293 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.844 -8.965 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.767 -7.618 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -8.078 -8.484 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -8.422 -10.139 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -10.415 -10.148 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -10.098 -8.483 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -9.008 -9.480 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -7.680 -9.496 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -7.974 -11.653 -5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -8.290 -11.760 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -9.576 -11.744 -4.922 1.00 0.00 H new ATOM 638 N LYS A1186 -8.857 -7.279 1.463 1.00 0.00 N ATOM 639 CA LYS A1186 -7.944 -6.352 2.143 1.00 0.00 C ATOM 640 C LYS A1186 -6.520 -6.468 1.594 1.00 0.00 C ATOM 641 O LYS A1186 -5.691 -7.187 2.150 1.00 0.00 O ATOM 642 CB LYS A1186 -7.943 -6.618 3.649 1.00 0.00 C ATOM 643 CG LYS A1186 -7.874 -5.354 4.491 1.00 0.00 C ATOM 644 CD LYS A1186 -6.996 -5.547 5.717 1.00 0.00 C ATOM 645 CE LYS A1186 -6.289 -4.258 6.103 1.00 0.00 C ATOM 646 NZ LYS A1186 -5.961 -4.219 7.555 1.00 0.00 N ATOM 0 H LYS A1186 -9.828 -6.968 1.444 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.299 -5.339 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -8.845 -7.171 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.094 -7.256 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -7.483 -4.535 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -8.879 -5.068 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -7.606 -5.893 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.257 -6.323 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -5.373 -4.158 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -6.922 -3.407 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -5.480 -3.324 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -6.837 -4.289 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -5.337 -5.016 7.791 1.00 0.00 H new ATOM 660 N GLN A1187 -6.247 -5.774 0.491 1.00 0.00 N ATOM 661 CA GLN A1187 -4.929 -5.827 -0.130 1.00 0.00 C ATOM 662 C GLN A1187 -4.113 -4.577 0.180 1.00 0.00 C ATOM 663 O GLN A1187 -4.615 -3.626 0.780 1.00 0.00 O ATOM 664 CB GLN A1187 -5.067 -5.990 -1.645 1.00 0.00 C ATOM 665 CG GLN A1187 -6.080 -7.045 -2.056 1.00 0.00 C ATOM 666 CD GLN A1187 -5.495 -8.444 -2.066 1.00 0.00 C ATOM 667 OE1 GLN A1187 -5.047 -8.933 -3.103 1.00 0.00 O ATOM 668 NE2 GLN A1187 -5.492 -9.094 -0.909 1.00 0.00 N ATOM 0 H GLN A1187 -6.918 -5.172 0.013 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.403 -6.687 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -5.356 -5.033 -2.080 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -4.095 -6.250 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.928 -7.015 -1.372 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.463 -6.808 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -5.874 -8.650 -0.074 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -5.108 -10.037 -0.855 1.00 0.00 H new ATOM 677 N CYS A1188 -2.852 -4.589 -0.240 1.00 0.00 N ATOM 678 CA CYS A1188 -1.960 -3.459 -0.018 1.00 0.00 C ATOM 679 C CYS A1188 -2.317 -2.306 -0.949 1.00 0.00 C ATOM 680 O CYS A1188 -2.342 -2.467 -2.168 1.00 0.00 O ATOM 681 CB CYS A1188 -0.505 -3.878 -0.237 1.00 0.00 C ATOM 682 SG CYS A1188 0.342 -4.421 1.265 1.00 0.00 S ATOM 0 H CYS A1188 -2.425 -5.371 -0.737 1.00 0.00 H new ATOM 0 HA CYS A1188 -2.079 -3.125 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.477 -4.685 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.042 -3.039 -0.667 1.00 0.00 H new ATOM 0 HG CYS A1188 1.564 -4.756 0.977 1.00 0.00 H new ATOM 688 N CYS A1189 -2.600 -1.147 -0.366 1.00 0.00 N ATOM 689 CA CYS A1189 -2.966 0.031 -1.143 1.00 0.00 C ATOM 690 C CYS A1189 -1.922 0.339 -2.216 1.00 0.00 C ATOM 691 O CYS A1189 -0.726 0.424 -1.936 1.00 0.00 O ATOM 692 CB CYS A1189 -3.150 1.235 -0.218 1.00 0.00 C ATOM 693 SG CYS A1189 -3.276 2.823 -1.074 1.00 0.00 S ATOM 0 H CYS A1189 -2.583 -0.998 0.643 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.909 -0.178 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.050 1.085 0.378 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.311 1.276 0.476 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.528 3.144 -1.211 1.00 0.00 H new ATOM 698 N LYS A1190 -2.396 0.501 -3.446 1.00 0.00 N ATOM 699 CA LYS A1190 -1.535 0.797 -4.584 1.00 0.00 C ATOM 700 C LYS A1190 -0.704 2.059 -4.348 1.00 0.00 C ATOM 701 O LYS A1190 0.466 2.116 -4.726 1.00 0.00 O ATOM 702 CB LYS A1190 -2.384 0.964 -5.846 1.00 0.00 C ATOM 703 CG LYS A1190 -3.235 -0.252 -6.174 1.00 0.00 C ATOM 704 CD LYS A1190 -3.639 -0.266 -7.638 1.00 0.00 C ATOM 705 CE LYS A1190 -3.988 -1.668 -8.109 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.811 -2.367 -8.695 1.00 0.00 N ATOM 0 H LYS A1190 -3.386 0.431 -3.682 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.847 -0.039 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -3.035 1.830 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.727 1.175 -6.690 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.680 -1.160 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.128 -0.253 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.495 0.392 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.824 0.130 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.373 -2.247 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.784 -1.614 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -3.091 -3.320 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.458 -1.828 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -2.060 -2.442 -7.979 1.00 0.00 H new ATOM 720 N MET A1191 -1.312 3.070 -3.731 1.00 0.00 N ATOM 721 CA MET A1191 -0.618 4.324 -3.462 1.00 0.00 C ATOM 722 C MET A1191 0.279 4.216 -2.233 1.00 0.00 C ATOM 723 O MET A1191 1.124 5.076 -2.002 1.00 0.00 O ATOM 724 CB MET A1191 -1.632 5.451 -3.261 1.00 0.00 C ATOM 725 CG MET A1191 -2.597 5.616 -4.423 1.00 0.00 C ATOM 726 SD MET A1191 -1.985 6.755 -5.679 1.00 0.00 S ATOM 727 CE MET A1191 -2.029 8.304 -4.781 1.00 0.00 C ATOM 0 H MET A1191 -2.280 3.044 -3.410 1.00 0.00 H new ATOM 0 HA MET A1191 0.012 4.546 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.201 5.258 -2.352 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.096 6.388 -3.109 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.780 4.643 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.554 5.977 -4.047 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.136 9.130 -5.485 1.00 0.00 H new ATOM 0 HE2 MET A1191 -2.874 8.302 -4.093 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.103 8.425 -4.218 1.00 0.00 H new ATOM 737 N ARG A1192 0.085 3.163 -1.445 1.00 0.00 N ATOM 738 CA ARG A1192 0.870 2.952 -0.234 1.00 0.00 C ATOM 739 C ARG A1192 2.107 2.111 -0.510 1.00 0.00 C ATOM 740 O ARG A1192 3.145 2.279 0.132 1.00 0.00 O ATOM 741 CB ARG A1192 0.016 2.257 0.814 1.00 0.00 C ATOM 742 CG ARG A1192 -0.945 3.191 1.523 1.00 0.00 C ATOM 743 CD ARG A1192 -1.833 2.446 2.508 1.00 0.00 C ATOM 744 NE ARG A1192 -1.601 2.873 3.885 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.174 2.302 4.941 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.020 1.292 4.782 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.902 2.741 6.161 1.00 0.00 N ATOM 0 H ARG A1192 -0.612 2.440 -1.625 1.00 0.00 H new ATOM 0 HA ARG A1192 1.193 3.928 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.551 1.457 0.338 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.668 1.790 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.381 3.960 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.567 3.701 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.879 2.610 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.648 1.375 2.425 1.00 0.00 H new ATOM 0 HE ARG A1192 -0.964 3.653 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.234 0.949 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.456 0.859 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.253 3.517 6.291 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.342 2.303 6.970 1.00 0.00 H new ATOM 761 N LYS A1193 1.982 1.196 -1.457 1.00 0.00 N ATOM 762 CA LYS A1193 3.083 0.306 -1.815 1.00 0.00 C ATOM 763 C LYS A1193 4.340 1.103 -2.151 1.00 0.00 C ATOM 764 O LYS A1193 4.358 1.890 -3.096 1.00 0.00 O ATOM 765 CB LYS A1193 2.690 -0.572 -3.003 1.00 0.00 C ATOM 766 CG LYS A1193 2.015 -1.873 -2.603 1.00 0.00 C ATOM 767 CD LYS A1193 2.094 -2.908 -3.713 1.00 0.00 C ATOM 768 CE LYS A1193 3.220 -3.900 -3.472 1.00 0.00 C ATOM 769 NZ LYS A1193 2.721 -5.174 -2.886 1.00 0.00 N ATOM 0 H LYS A1193 1.128 1.047 -1.995 1.00 0.00 H new ATOM 0 HA LYS A1193 3.297 -0.330 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A1193 2.020 -0.010 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A1193 3.582 -0.800 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.487 -2.267 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A1193 0.971 -1.681 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A1193 1.146 -3.442 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS A1193 2.248 -2.407 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A1193 3.728 -4.108 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A1193 3.957 -3.457 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 3.519 -5.824 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 2.258 -4.979 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 2.036 -5.610 -3.536 1.00 0.00 H new ATOM 783 N CYS A1194 5.385 0.896 -1.355 1.00 0.00 N ATOM 784 CA CYS A1194 6.648 1.595 -1.545 1.00 0.00 C ATOM 785 C CYS A1194 7.204 1.375 -2.949 1.00 0.00 C ATOM 786 O CYS A1194 7.012 0.321 -3.555 1.00 0.00 O ATOM 787 CB CYS A1194 7.665 1.145 -0.494 1.00 0.00 C ATOM 788 SG CYS A1194 9.328 1.813 -0.738 1.00 0.00 S ATOM 0 H CYS A1194 5.380 0.246 -0.569 1.00 0.00 H new ATOM 0 HA CYS A1194 6.460 2.662 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.307 1.442 0.492 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.719 0.056 -0.499 1.00 0.00 H new ATOM 0 HG CYS A1194 9.253 3.090 -0.968 1.00 0.00 H new ATOM 793 N GLN A1195 7.884 2.395 -3.454 1.00 0.00 N ATOM 794 CA GLN A1195 8.470 2.365 -4.782 1.00 0.00 C ATOM 795 C GLN A1195 9.973 2.105 -4.728 1.00 0.00 C ATOM 796 O GLN A1195 10.544 1.518 -5.647 1.00 0.00 O ATOM 797 CB GLN A1195 8.209 3.703 -5.469 1.00 0.00 C ATOM 798 CG GLN A1195 6.914 3.734 -6.256 1.00 0.00 C ATOM 799 CD GLN A1195 6.839 4.907 -7.215 1.00 0.00 C ATOM 800 OE1 GLN A1195 6.372 4.770 -8.345 1.00 0.00 O ATOM 801 NE2 GLN A1195 7.300 6.069 -6.766 1.00 0.00 N ATOM 0 H GLN A1195 8.044 3.268 -2.951 1.00 0.00 H new ATOM 0 HA GLN A1195 8.010 1.551 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.187 4.491 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A1195 9.039 3.926 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.812 2.805 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A1195 6.074 3.782 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A1195 7.679 6.137 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A1195 7.275 6.894 -7.366 1.00 0.00 H new ATOM 810 N ASN A1196 10.613 2.561 -3.656 1.00 0.00 N ATOM 811 CA ASN A1196 12.050 2.394 -3.499 1.00 0.00 C ATOM 812 C ASN A1196 12.395 1.836 -2.125 1.00 0.00 C ATOM 813 O ASN A1196 12.118 2.455 -1.100 1.00 0.00 O ATOM 814 CB ASN A1196 12.759 3.734 -3.730 1.00 0.00 C ATOM 815 CG ASN A1196 14.185 3.749 -3.212 1.00 0.00 C ATOM 816 OD1 ASN A1196 15.047 3.024 -3.707 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.435 4.580 -2.208 1.00 0.00 N ATOM 0 H ASN A1196 10.158 3.049 -2.884 1.00 0.00 H new ATOM 0 HA ASN A1196 12.395 1.676 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.764 3.957 -4.797 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.193 4.527 -3.241 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.374 4.636 -1.815 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.688 5.162 -1.830 1.00 0.00 H new ATOM 824 N LEU A1197 13.013 0.667 -2.118 1.00 0.00 N ATOM 825 CA LEU A1197 13.410 0.023 -0.876 1.00 0.00 C ATOM 826 C LEU A1197 14.851 -0.464 -0.964 1.00 0.00 C ATOM 827 O LEU A1197 15.367 -0.703 -2.056 1.00 0.00 O ATOM 828 CB LEU A1197 12.492 -1.160 -0.570 1.00 0.00 C ATOM 829 CG LEU A1197 11.047 -1.027 -1.060 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.750 -2.058 -2.127 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.075 -1.197 0.088 1.00 0.00 C ATOM 0 H LEU A1197 13.251 0.143 -2.960 1.00 0.00 H new ATOM 0 HA LEU A1197 13.329 0.757 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.925 -2.056 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.477 -1.314 0.509 1.00 0.00 H new ATOM 0 HG LEU A1197 10.928 -0.029 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.719 -1.948 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.424 -1.912 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A1197 10.893 -3.058 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.054 -1.099 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.206 -2.183 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.263 -0.431 0.841 1.00 0.00 H new