USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 272 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: A 129 CYS SG : rot 154:sc= -2.63! USER MOD Set 1.2: A 132 CYS SG : rot 106:sc= -1.17 USER MOD Set 1.3: A 134 SER OG : rot -161:sc= 1.88 USER MOD Set 1.4: A 154 CYS SG : rot -174:sc= -6.48! USER MOD Set 1.5: A 157 CYS SG : rot -125:sc= -3.91! USER MOD Set 1.6: A 159 THR OG1 : rot 85:sc= -2.6! USER MOD Set 2.1: A 149 THR OG1 : rot -87:sc= 0.291 USER MOD Set 2.2: A 151 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 126 SER OG : rot -23:sc= -0.786! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 62:sc= -0.792! USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0.00876 USER MOD Single : A 142 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.43) USER MOD Single : A 148 MET CE :methyl 133:sc= -0.193 (180deg=-1.45) USER MOD Single : A 155 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.747 3.878 0.232 1.00 0.00 N ATOM 212 CA SER A 126 9.339 3.180 1.408 1.00 0.00 C ATOM 213 C SER A 126 10.795 3.612 1.599 1.00 0.00 C ATOM 214 O SER A 126 11.657 3.290 0.807 1.00 0.00 O ATOM 215 CB SER A 126 9.262 1.693 1.066 1.00 0.00 C ATOM 216 OG SER A 126 10.418 1.322 0.325 1.00 0.00 O ATOM 0 HA SER A 126 8.814 3.412 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.195 1.101 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.362 1.487 0.486 1.00 0.00 H new ATOM 0 HG SER A 126 10.797 2.115 -0.109 1.00 0.00 H new ATOM 222 N PHE A 127 11.075 4.337 2.646 1.00 0.00 N ATOM 223 CA PHE A 127 12.476 4.788 2.886 1.00 0.00 C ATOM 224 C PHE A 127 13.098 3.990 4.035 1.00 0.00 C ATOM 225 O PHE A 127 12.412 3.517 4.919 1.00 0.00 O ATOM 226 CB PHE A 127 12.357 6.265 3.263 1.00 0.00 C ATOM 227 CG PHE A 127 11.544 6.991 2.217 1.00 0.00 C ATOM 228 CD1 PHE A 127 10.145 6.993 2.295 1.00 0.00 C ATOM 229 CD2 PHE A 127 12.188 7.664 1.172 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.392 7.667 1.326 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.434 8.338 0.204 1.00 0.00 C ATOM 232 CZ PHE A 127 10.037 8.340 0.281 1.00 0.00 C ATOM 0 H PHE A 127 10.396 4.637 3.346 1.00 0.00 H new ATOM 0 HA PHE A 127 13.113 4.640 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.884 6.364 4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.348 6.712 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.648 6.475 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.266 7.663 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.314 7.668 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.931 8.857 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.456 8.861 -0.466 1.00 0.00 H new ATOM 242 N LYS A 128 14.395 3.839 4.033 1.00 0.00 N ATOM 243 CA LYS A 128 15.057 3.078 5.125 1.00 0.00 C ATOM 244 C LYS A 128 16.251 3.870 5.665 1.00 0.00 C ATOM 245 O LYS A 128 16.980 4.500 4.925 1.00 0.00 O ATOM 246 CB LYS A 128 15.516 1.764 4.481 1.00 0.00 C ATOM 247 CG LYS A 128 16.613 1.119 5.338 1.00 0.00 C ATOM 248 CD LYS A 128 16.218 -0.319 5.683 1.00 0.00 C ATOM 249 CE LYS A 128 16.235 -0.502 7.203 1.00 0.00 C ATOM 250 NZ LYS A 128 15.636 -1.846 7.433 1.00 0.00 N ATOM 0 H LYS A 128 15.023 4.211 3.321 1.00 0.00 H new ATOM 0 HA LYS A 128 14.391 2.897 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.671 1.082 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.892 1.953 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.561 1.127 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.761 1.695 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.225 -0.539 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.909 -1.020 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.250 -0.449 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.659 0.278 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.612 -2.046 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.668 -1.864 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.209 -2.568 6.952 1.00 0.00 H new ATOM 264 N CYS A 129 16.453 3.837 6.952 1.00 0.00 N ATOM 265 CA CYS A 129 17.592 4.581 7.550 1.00 0.00 C ATOM 266 C CYS A 129 18.817 3.665 7.658 1.00 0.00 C ATOM 267 O CYS A 129 18.727 2.573 8.180 1.00 0.00 O ATOM 268 CB CYS A 129 17.098 4.989 8.935 1.00 0.00 C ATOM 269 SG CYS A 129 18.353 5.987 9.757 1.00 0.00 S ATOM 0 H CYS A 129 15.875 3.324 7.617 1.00 0.00 H new ATOM 0 HA CYS A 129 17.894 5.442 6.953 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.169 5.553 8.849 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.878 4.102 9.529 1.00 0.00 H new ATOM 0 HG CYS A 129 17.784 6.775 10.620 1.00 0.00 H new ATOM 274 N PRO A 130 19.922 4.141 7.150 1.00 0.00 N ATOM 275 CA PRO A 130 21.176 3.347 7.181 1.00 0.00 C ATOM 276 C PRO A 130 21.798 3.345 8.584 1.00 0.00 C ATOM 277 O PRO A 130 22.608 2.498 8.907 1.00 0.00 O ATOM 278 CB PRO A 130 22.082 4.074 6.194 1.00 0.00 C ATOM 279 CG PRO A 130 21.574 5.482 6.157 1.00 0.00 C ATOM 280 CD PRO A 130 20.107 5.444 6.502 1.00 0.00 C ATOM 0 HA PRO A 130 21.015 2.299 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.123 4.039 6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.038 3.614 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.119 6.105 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.724 5.918 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.833 6.262 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.486 5.537 5.611 1.00 0.00 H new ATOM 288 N VAL A 131 21.441 4.286 9.416 1.00 0.00 N ATOM 289 CA VAL A 131 22.032 4.327 10.786 1.00 0.00 C ATOM 290 C VAL A 131 21.267 3.402 11.737 1.00 0.00 C ATOM 291 O VAL A 131 21.740 2.343 12.095 1.00 0.00 O ATOM 292 CB VAL A 131 21.919 5.788 11.230 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.025 5.881 12.754 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.056 6.594 10.596 1.00 0.00 C ATOM 0 H VAL A 131 20.769 5.025 9.209 1.00 0.00 H new ATOM 0 HA VAL A 131 23.066 3.983 10.793 1.00 0.00 H new ATOM 0 HB VAL A 131 20.956 6.187 10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.944 6.924 13.061 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.221 5.304 13.211 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.986 5.481 13.077 1.00 0.00 H new ATOM 0 HG21 VAL A 131 22.982 7.636 10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.014 6.186 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.983 6.534 9.510 1.00 0.00 H new ATOM 304 N CYS A 132 20.096 3.792 12.158 1.00 0.00 N ATOM 305 CA CYS A 132 19.328 2.921 13.095 1.00 0.00 C ATOM 306 C CYS A 132 18.523 1.871 12.314 1.00 0.00 C ATOM 307 O CYS A 132 17.641 1.225 12.844 1.00 0.00 O ATOM 308 CB CYS A 132 18.423 3.868 13.892 1.00 0.00 C ATOM 309 SG CYS A 132 17.037 4.415 12.874 1.00 0.00 S ATOM 0 H CYS A 132 19.640 4.667 11.898 1.00 0.00 H new ATOM 0 HA CYS A 132 19.979 2.359 13.764 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.051 3.362 14.783 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.997 4.731 14.231 1.00 0.00 H new ATOM 0 HG CYS A 132 15.953 3.804 13.252 1.00 0.00 H new ATOM 314 N SER A 133 18.850 1.681 11.061 1.00 0.00 N ATOM 315 CA SER A 133 18.150 0.657 10.221 1.00 0.00 C ATOM 316 C SER A 133 16.628 0.764 10.334 1.00 0.00 C ATOM 317 O SER A 133 15.919 -0.206 10.161 1.00 0.00 O ATOM 318 CB SER A 133 18.631 -0.703 10.739 1.00 0.00 C ATOM 319 OG SER A 133 18.905 -0.622 12.131 1.00 0.00 O ATOM 0 H SER A 133 19.583 2.199 10.576 1.00 0.00 H new ATOM 0 HA SER A 133 18.382 0.802 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.871 -1.462 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.527 -1.010 10.201 1.00 0.00 H new ATOM 0 HG SER A 133 18.082 -0.397 12.614 1.00 0.00 H new ATOM 325 N SER A 134 16.115 1.929 10.601 1.00 0.00 N ATOM 326 CA SER A 134 14.638 2.075 10.694 1.00 0.00 C ATOM 327 C SER A 134 14.054 2.204 9.284 1.00 0.00 C ATOM 328 O SER A 134 14.759 2.080 8.303 1.00 0.00 O ATOM 329 CB SER A 134 14.414 3.353 11.491 1.00 0.00 C ATOM 330 OG SER A 134 14.617 3.086 12.873 1.00 0.00 O ATOM 0 H SER A 134 16.650 2.783 10.758 1.00 0.00 H new ATOM 0 HA SER A 134 14.157 1.221 11.170 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.100 4.130 11.154 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.403 3.726 11.325 1.00 0.00 H new ATOM 0 HG SER A 134 14.198 3.792 13.408 1.00 0.00 H new ATOM 336 N THR A 135 12.779 2.452 9.167 1.00 0.00 N ATOM 337 CA THR A 135 12.181 2.584 7.807 1.00 0.00 C ATOM 338 C THR A 135 10.945 3.485 7.841 1.00 0.00 C ATOM 339 O THR A 135 10.346 3.702 8.875 1.00 0.00 O ATOM 340 CB THR A 135 11.788 1.161 7.404 1.00 0.00 C ATOM 341 OG1 THR A 135 12.780 0.250 7.854 1.00 0.00 O ATOM 342 CG2 THR A 135 11.667 1.079 5.882 1.00 0.00 C ATOM 0 H THR A 135 12.130 2.568 9.945 1.00 0.00 H new ATOM 0 HA THR A 135 12.879 3.036 7.102 1.00 0.00 H new ATOM 0 HB THR A 135 10.831 0.905 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.528 -0.661 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.387 0.066 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.904 1.778 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.624 1.335 5.427 1.00 0.00 H new ATOM 350 N PHE A 136 10.559 4.005 6.709 1.00 0.00 N ATOM 351 CA PHE A 136 9.360 4.888 6.655 1.00 0.00 C ATOM 352 C PHE A 136 8.647 4.717 5.312 1.00 0.00 C ATOM 353 O PHE A 136 9.195 4.173 4.373 1.00 0.00 O ATOM 354 CB PHE A 136 9.901 6.313 6.789 1.00 0.00 C ATOM 355 CG PHE A 136 10.908 6.376 7.910 1.00 0.00 C ATOM 356 CD1 PHE A 136 12.246 6.042 7.669 1.00 0.00 C ATOM 357 CD2 PHE A 136 10.505 6.773 9.191 1.00 0.00 C ATOM 358 CE1 PHE A 136 13.181 6.106 8.708 1.00 0.00 C ATOM 359 CE2 PHE A 136 11.441 6.838 10.229 1.00 0.00 C ATOM 360 CZ PHE A 136 12.779 6.504 9.988 1.00 0.00 C ATOM 0 H PHE A 136 11.025 3.855 5.814 1.00 0.00 H new ATOM 0 HA PHE A 136 8.640 4.652 7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.365 6.625 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.082 7.005 6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 136 12.556 5.735 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 136 9.472 7.029 9.378 1.00 0.00 H new ATOM 0 HE1 PHE A 136 14.213 5.848 8.522 1.00 0.00 H new ATOM 0 HE2 PHE A 136 11.131 7.146 11.217 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.501 6.553 10.790 1.00 0.00 H new ATOM 370 N THR A 137 7.434 5.180 5.210 1.00 0.00 N ATOM 371 CA THR A 137 6.690 5.048 3.925 1.00 0.00 C ATOM 372 C THR A 137 6.200 6.420 3.459 1.00 0.00 C ATOM 373 O THR A 137 6.548 7.438 4.023 1.00 0.00 O ATOM 374 CB THR A 137 5.505 4.134 4.241 1.00 0.00 C ATOM 375 OG1 THR A 137 5.126 4.305 5.598 1.00 0.00 O ATOM 376 CG2 THR A 137 5.905 2.677 4.002 1.00 0.00 C ATOM 0 H THR A 137 6.924 5.645 5.961 1.00 0.00 H new ATOM 0 HA THR A 137 7.312 4.643 3.127 1.00 0.00 H new ATOM 0 HB THR A 137 4.666 4.390 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.366 3.721 5.801 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.060 2.026 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.196 2.546 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.744 2.419 4.648 1.00 0.00 H new ATOM 384 N ASP A 138 5.397 6.456 2.433 1.00 0.00 N ATOM 385 CA ASP A 138 4.890 7.763 1.932 1.00 0.00 C ATOM 386 C ASP A 138 4.245 8.553 3.072 1.00 0.00 C ATOM 387 O ASP A 138 4.529 9.718 3.269 1.00 0.00 O ATOM 388 CB ASP A 138 3.852 7.406 0.870 1.00 0.00 C ATOM 389 CG ASP A 138 2.961 6.271 1.379 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.462 5.167 1.518 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.793 6.525 1.623 1.00 0.00 O ATOM 0 H ASP A 138 5.070 5.637 1.920 1.00 0.00 H new ATOM 0 HA ASP A 138 5.687 8.387 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.245 8.280 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.350 7.105 -0.052 1.00 0.00 H new ATOM 396 N LEU A 139 3.378 7.932 3.824 1.00 0.00 N ATOM 397 CA LEU A 139 2.723 8.660 4.948 1.00 0.00 C ATOM 398 C LEU A 139 3.790 9.313 5.834 1.00 0.00 C ATOM 399 O LEU A 139 3.561 10.333 6.453 1.00 0.00 O ATOM 400 CB LEU A 139 1.931 7.593 5.715 1.00 0.00 C ATOM 401 CG LEU A 139 2.854 6.832 6.668 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.774 7.459 8.060 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.413 5.369 6.741 1.00 0.00 C ATOM 0 H LEU A 139 3.096 6.958 3.710 1.00 0.00 H new ATOM 0 HA LEU A 139 2.068 9.461 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.124 8.063 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.469 6.899 5.013 1.00 0.00 H new ATOM 0 HG LEU A 139 3.880 6.885 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.431 6.918 8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.085 8.502 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.749 7.404 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.069 4.825 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.388 5.316 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.467 4.923 5.748 1.00 0.00 H new ATOM 415 N GLU A 140 4.962 8.736 5.886 1.00 0.00 N ATOM 416 CA GLU A 140 6.051 9.327 6.716 1.00 0.00 C ATOM 417 C GLU A 140 6.874 10.296 5.866 1.00 0.00 C ATOM 418 O GLU A 140 7.528 11.187 6.373 1.00 0.00 O ATOM 419 CB GLU A 140 6.914 8.141 7.152 1.00 0.00 C ATOM 420 CG GLU A 140 6.088 7.190 8.018 1.00 0.00 C ATOM 421 CD GLU A 140 6.188 7.615 9.483 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.225 7.374 10.080 1.00 0.00 O ATOM 423 OE2 GLU A 140 5.227 8.175 9.985 1.00 0.00 O ATOM 0 H GLU A 140 5.211 7.881 5.389 1.00 0.00 H new ATOM 0 HA GLU A 140 5.667 9.883 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.293 7.614 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.781 8.496 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.047 7.200 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.448 6.168 7.900 1.00 0.00 H new ATOM 430 N ALA A 141 6.844 10.126 4.573 1.00 0.00 N ATOM 431 CA ALA A 141 7.622 11.030 3.680 1.00 0.00 C ATOM 432 C ALA A 141 7.080 12.460 3.775 1.00 0.00 C ATOM 433 O ALA A 141 7.726 13.407 3.372 1.00 0.00 O ATOM 434 CB ALA A 141 7.413 10.463 2.274 1.00 0.00 C ATOM 0 H ALA A 141 6.313 9.398 4.095 1.00 0.00 H new ATOM 0 HA ALA A 141 8.677 11.076 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.955 11.073 1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.785 9.439 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.350 10.473 2.032 1.00 0.00 H new ATOM 440 N ASN A 142 5.898 12.623 4.303 1.00 0.00 N ATOM 441 CA ASN A 142 5.314 13.992 4.422 1.00 0.00 C ATOM 442 C ASN A 142 5.690 14.623 5.767 1.00 0.00 C ATOM 443 O ASN A 142 5.443 15.789 6.004 1.00 0.00 O ATOM 444 CB ASN A 142 3.802 13.782 4.335 1.00 0.00 C ATOM 445 CG ASN A 142 3.420 13.407 2.903 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.528 14.214 2.001 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.975 12.206 2.654 1.00 0.00 N ATOM 0 H ASN A 142 5.310 11.868 4.658 1.00 0.00 H new ATOM 0 HA ASN A 142 5.683 14.664 3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.493 12.995 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.280 14.691 4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.718 11.945 1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 142 2.884 11.529 3.411 1.00 0.00 H new ATOM 454 N GLN A 143 6.282 13.866 6.650 1.00 0.00 N ATOM 455 CA GLN A 143 6.663 14.433 7.977 1.00 0.00 C ATOM 456 C GLN A 143 8.178 14.337 8.188 1.00 0.00 C ATOM 457 O GLN A 143 8.743 15.028 9.013 1.00 0.00 O ATOM 458 CB GLN A 143 5.923 13.572 9.002 1.00 0.00 C ATOM 459 CG GLN A 143 6.550 12.178 9.049 1.00 0.00 C ATOM 460 CD GLN A 143 5.873 11.350 10.142 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.360 11.273 11.253 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.760 10.722 9.874 1.00 0.00 N ATOM 0 H GLN A 143 6.518 12.883 6.512 1.00 0.00 H new ATOM 0 HA GLN A 143 6.401 15.488 8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.972 14.037 9.986 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.868 13.499 8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.439 11.685 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.619 12.255 9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.350 10.786 8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.300 10.168 10.597 1.00 0.00 H new ATOM 471 N LEU A 144 8.839 13.487 7.451 1.00 0.00 N ATOM 472 CA LEU A 144 10.317 13.354 7.614 1.00 0.00 C ATOM 473 C LEU A 144 11.043 14.190 6.558 1.00 0.00 C ATOM 474 O LEU A 144 12.248 14.337 6.587 1.00 0.00 O ATOM 475 CB LEU A 144 10.605 11.867 7.401 1.00 0.00 C ATOM 476 CG LEU A 144 9.759 11.035 8.365 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.063 9.551 8.159 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.091 11.429 9.807 1.00 0.00 C ATOM 0 H LEU A 144 8.423 12.880 6.745 1.00 0.00 H new ATOM 0 HA LEU A 144 10.657 13.704 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.381 11.587 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.664 11.665 7.564 1.00 0.00 H new ATOM 0 HG LEU A 144 8.702 11.220 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.460 8.957 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.826 9.270 7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.120 9.366 8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.488 10.836 10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.148 11.245 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.874 12.487 9.954 1.00 0.00 H new ATOM 490 N PHE A 145 10.317 14.734 5.619 1.00 0.00 N ATOM 491 CA PHE A 145 10.963 15.554 4.554 1.00 0.00 C ATOM 492 C PHE A 145 11.495 16.871 5.129 1.00 0.00 C ATOM 493 O PHE A 145 10.858 17.507 5.945 1.00 0.00 O ATOM 494 CB PHE A 145 9.849 15.825 3.543 1.00 0.00 C ATOM 495 CG PHE A 145 10.436 16.431 2.290 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.570 15.860 1.701 1.00 0.00 C ATOM 497 CD2 PHE A 145 9.845 17.564 1.719 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.112 16.421 0.538 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.387 18.124 0.556 1.00 0.00 C ATOM 500 CZ PHE A 145 11.521 17.554 -0.034 1.00 0.00 C ATOM 0 H PHE A 145 9.304 14.646 5.543 1.00 0.00 H new ATOM 0 HA PHE A 145 11.816 15.044 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.330 14.897 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.110 16.501 3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 145 12.027 14.987 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 145 8.972 18.006 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.986 15.980 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 145 9.930 18.997 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.940 17.988 -0.930 1.00 0.00 H new ATOM 510 N ASP A 146 12.657 17.287 4.701 1.00 0.00 N ATOM 511 CA ASP A 146 13.233 18.565 5.211 1.00 0.00 C ATOM 512 C ASP A 146 13.655 19.453 4.034 1.00 0.00 C ATOM 513 O ASP A 146 14.329 19.003 3.129 1.00 0.00 O ATOM 514 CB ASP A 146 14.453 18.151 6.034 1.00 0.00 C ATOM 515 CG ASP A 146 14.430 18.879 7.379 1.00 0.00 C ATOM 516 OD1 ASP A 146 14.515 20.096 7.372 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.328 18.208 8.392 1.00 0.00 O ATOM 0 H ASP A 146 13.234 16.795 4.018 1.00 0.00 H new ATOM 0 HA ASP A 146 12.519 19.135 5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.450 17.072 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.369 18.391 5.494 1.00 0.00 H new ATOM 522 N PRO A 147 13.237 20.690 4.085 1.00 0.00 N ATOM 523 CA PRO A 147 13.570 21.652 3.006 1.00 0.00 C ATOM 524 C PRO A 147 15.031 22.103 3.112 1.00 0.00 C ATOM 525 O PRO A 147 15.503 22.891 2.316 1.00 0.00 O ATOM 526 CB PRO A 147 12.624 22.819 3.264 1.00 0.00 C ATOM 527 CG PRO A 147 12.299 22.745 4.724 1.00 0.00 C ATOM 528 CD PRO A 147 12.424 21.302 5.141 1.00 0.00 C ATOM 0 HA PRO A 147 13.458 21.227 2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.094 23.770 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.723 22.738 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.979 23.372 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.290 23.113 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.903 21.209 6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.447 20.824 5.219 1.00 0.00 H new ATOM 536 N MET A 148 15.747 21.617 4.086 1.00 0.00 N ATOM 537 CA MET A 148 17.174 22.027 4.237 1.00 0.00 C ATOM 538 C MET A 148 18.071 21.194 3.316 1.00 0.00 C ATOM 539 O MET A 148 19.161 21.600 2.966 1.00 0.00 O ATOM 540 CB MET A 148 17.512 21.755 5.703 1.00 0.00 C ATOM 541 CG MET A 148 17.609 20.246 5.935 1.00 0.00 C ATOM 542 SD MET A 148 19.342 19.781 6.168 1.00 0.00 S ATOM 543 CE MET A 148 19.412 20.062 7.954 1.00 0.00 C ATOM 0 H MET A 148 15.409 20.955 4.784 1.00 0.00 H new ATOM 0 HA MET A 148 17.331 23.072 3.968 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.455 22.235 5.964 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.746 22.184 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 148 17.025 19.964 6.811 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.188 19.709 5.085 1.00 0.00 H new ATOM 0 HE1 MET A 148 19.892 19.211 8.438 1.00 0.00 H new ATOM 0 HE2 MET A 148 19.986 20.966 8.158 1.00 0.00 H new ATOM 0 HE3 MET A 148 18.401 20.178 8.344 1.00 0.00 H new ATOM 553 N THR A 149 17.625 20.033 2.923 1.00 0.00 N ATOM 554 CA THR A 149 18.461 19.179 2.027 1.00 0.00 C ATOM 555 C THR A 149 17.652 18.720 0.812 1.00 0.00 C ATOM 556 O THR A 149 18.189 18.502 -0.257 1.00 0.00 O ATOM 557 CB THR A 149 18.872 17.981 2.886 1.00 0.00 C ATOM 558 OG1 THR A 149 19.326 16.932 2.041 1.00 0.00 O ATOM 559 CG2 THR A 149 17.675 17.493 3.704 1.00 0.00 C ATOM 0 H THR A 149 16.721 19.638 3.181 1.00 0.00 H new ATOM 0 HA THR A 149 19.326 19.718 1.640 1.00 0.00 H new ATOM 0 HB THR A 149 19.671 18.280 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.562 16.390 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.974 16.640 4.313 1.00 0.00 H new ATOM 0 HG22 THR A 149 17.325 18.297 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.872 17.194 3.031 1.00 0.00 H new ATOM 567 N GLY A 150 16.365 18.571 0.963 1.00 0.00 N ATOM 568 CA GLY A 150 15.527 18.126 -0.186 1.00 0.00 C ATOM 569 C GLY A 150 15.248 16.628 -0.070 1.00 0.00 C ATOM 570 O GLY A 150 14.914 15.972 -1.038 1.00 0.00 O ATOM 0 H GLY A 150 15.857 18.738 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.589 18.680 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.038 18.339 -1.125 1.00 0.00 H new ATOM 574 N THR A 151 15.380 16.076 1.105 1.00 0.00 N ATOM 575 CA THR A 151 15.120 14.617 1.278 1.00 0.00 C ATOM 576 C THR A 151 14.377 14.364 2.592 1.00 0.00 C ATOM 577 O THR A 151 13.914 15.280 3.243 1.00 0.00 O ATOM 578 CB THR A 151 16.504 13.965 1.307 1.00 0.00 C ATOM 579 OG1 THR A 151 17.465 14.874 0.789 1.00 0.00 O ATOM 580 CG2 THR A 151 16.488 12.695 0.455 1.00 0.00 C ATOM 0 H THR A 151 15.656 16.571 1.953 1.00 0.00 H new ATOM 0 HA THR A 151 14.498 14.212 0.480 1.00 0.00 H new ATOM 0 HB THR A 151 16.764 13.708 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.352 14.458 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.474 12.231 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 151 15.750 11.999 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.228 12.949 -0.573 1.00 0.00 H new ATOM 588 N PHE A 152 14.261 13.125 2.988 1.00 0.00 N ATOM 589 CA PHE A 152 13.551 12.813 4.260 1.00 0.00 C ATOM 590 C PHE A 152 14.563 12.460 5.351 1.00 0.00 C ATOM 591 O PHE A 152 15.525 11.756 5.114 1.00 0.00 O ATOM 592 CB PHE A 152 12.667 11.609 3.933 1.00 0.00 C ATOM 593 CG PHE A 152 11.939 11.859 2.632 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.734 12.570 2.629 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.471 11.379 1.428 1.00 0.00 C ATOM 596 CE1 PHE A 152 10.061 12.803 1.423 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.798 11.611 0.224 1.00 0.00 C ATOM 598 CZ PHE A 152 10.593 12.323 0.220 1.00 0.00 C ATOM 0 H PHE A 152 14.627 12.316 2.485 1.00 0.00 H new ATOM 0 HA PHE A 152 12.967 13.656 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.275 10.708 3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 152 11.950 11.441 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.323 12.939 3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.401 10.830 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.132 13.353 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 152 12.209 11.240 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.074 12.502 -0.710 1.00 0.00 H new ATOM 608 N ARG A 153 14.361 12.949 6.544 1.00 0.00 N ATOM 609 CA ARG A 153 15.321 12.642 7.644 1.00 0.00 C ATOM 610 C ARG A 153 14.687 11.698 8.668 1.00 0.00 C ATOM 611 O ARG A 153 13.514 11.790 8.973 1.00 0.00 O ATOM 612 CB ARG A 153 15.635 13.992 8.291 1.00 0.00 C ATOM 613 CG ARG A 153 16.802 14.652 7.556 1.00 0.00 C ATOM 614 CD ARG A 153 16.772 16.163 7.800 1.00 0.00 C ATOM 615 NE ARG A 153 17.498 16.358 9.084 1.00 0.00 N ATOM 616 CZ ARG A 153 17.040 17.198 9.972 1.00 0.00 C ATOM 617 NH1 ARG A 153 15.861 17.011 10.499 1.00 0.00 N ATOM 618 NH2 ARG A 153 17.760 18.225 10.332 1.00 0.00 N ATOM 0 H ARG A 153 13.576 13.546 6.805 1.00 0.00 H new ATOM 0 HA ARG A 153 16.217 12.146 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.757 14.637 8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.886 13.853 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.747 14.236 7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.737 14.444 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.255 16.704 6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 153 15.749 16.533 7.865 1.00 0.00 H new ATOM 0 HE ARG A 153 18.354 15.835 9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 153 15.298 16.209 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 153 15.503 17.667 11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.681 18.372 9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.402 18.881 11.026 1.00 0.00 H new ATOM 632 N CYS A 154 15.463 10.801 9.207 1.00 0.00 N ATOM 633 CA CYS A 154 14.928 9.851 10.224 1.00 0.00 C ATOM 634 C CYS A 154 14.117 10.617 11.274 1.00 0.00 C ATOM 635 O CYS A 154 14.038 11.829 11.242 1.00 0.00 O ATOM 636 CB CYS A 154 16.180 9.237 10.848 1.00 0.00 C ATOM 637 SG CYS A 154 15.745 7.772 11.809 1.00 0.00 S ATOM 0 H CYS A 154 16.452 10.683 8.986 1.00 0.00 H new ATOM 0 HA CYS A 154 14.263 9.098 9.802 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.891 8.970 10.066 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.671 9.969 11.489 1.00 0.00 H new ATOM 0 HG CYS A 154 16.797 7.335 12.435 1.00 0.00 H new ATOM 642 N THR A 155 13.511 9.930 12.204 1.00 0.00 N ATOM 643 CA THR A 155 12.710 10.641 13.244 1.00 0.00 C ATOM 644 C THR A 155 13.233 10.314 14.645 1.00 0.00 C ATOM 645 O THR A 155 12.955 11.015 15.598 1.00 0.00 O ATOM 646 CB THR A 155 11.278 10.129 13.075 1.00 0.00 C ATOM 647 OG1 THR A 155 11.193 9.323 11.907 1.00 0.00 O ATOM 648 CG2 THR A 155 10.325 11.317 12.948 1.00 0.00 C ATOM 0 H THR A 155 13.535 8.914 12.290 1.00 0.00 H new ATOM 0 HA THR A 155 12.771 11.723 13.130 1.00 0.00 H new ATOM 0 HB THR A 155 11.002 9.532 13.944 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.276 8.995 11.802 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.304 10.954 12.828 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.388 11.931 13.846 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.602 11.915 12.080 1.00 0.00 H new ATOM 656 N PHE A 156 13.990 9.260 14.782 1.00 0.00 N ATOM 657 CA PHE A 156 14.525 8.907 16.130 1.00 0.00 C ATOM 658 C PHE A 156 16.039 9.110 16.165 1.00 0.00 C ATOM 659 O PHE A 156 16.598 9.501 17.170 1.00 0.00 O ATOM 660 CB PHE A 156 14.169 7.434 16.397 1.00 0.00 C ATOM 661 CG PHE A 156 13.573 6.773 15.173 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.393 6.424 14.097 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.198 6.513 15.120 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.840 5.817 12.967 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.644 5.903 13.988 1.00 0.00 C ATOM 666 CZ PHE A 156 12.466 5.555 12.911 1.00 0.00 C ATOM 0 H PHE A 156 14.260 8.631 14.026 1.00 0.00 H new ATOM 0 HA PHE A 156 14.089 9.546 16.898 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.064 6.893 16.704 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.461 7.374 17.224 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.454 6.623 14.139 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.565 6.783 15.952 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.474 5.549 12.135 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.584 5.701 13.946 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.041 5.084 12.037 1.00 0.00 H new ATOM 676 N CYS A 157 16.708 8.863 15.074 1.00 0.00 N ATOM 677 CA CYS A 157 18.184 9.060 15.053 1.00 0.00 C ATOM 678 C CYS A 157 18.550 10.115 13.989 1.00 0.00 C ATOM 679 O CYS A 157 19.688 10.258 13.590 1.00 0.00 O ATOM 680 CB CYS A 157 18.765 7.658 14.774 1.00 0.00 C ATOM 681 SG CYS A 157 19.282 7.469 13.051 1.00 0.00 S ATOM 0 H CYS A 157 16.299 8.535 14.199 1.00 0.00 H new ATOM 0 HA CYS A 157 18.595 9.448 15.985 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.618 7.482 15.430 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.017 6.902 15.013 1.00 0.00 H new ATOM 0 HG CYS A 157 18.696 6.430 12.533 1.00 0.00 H new ATOM 686 N HIS A 158 17.568 10.875 13.567 1.00 0.00 N ATOM 687 CA HIS A 158 17.781 11.969 12.563 1.00 0.00 C ATOM 688 C HIS A 158 18.800 11.613 11.475 1.00 0.00 C ATOM 689 O HIS A 158 19.435 12.485 10.913 1.00 0.00 O ATOM 690 CB HIS A 158 18.278 13.155 13.388 1.00 0.00 C ATOM 691 CG HIS A 158 17.102 13.819 14.045 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.434 14.883 13.461 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.450 13.571 15.227 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.429 15.233 14.284 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.394 14.465 15.376 1.00 0.00 N ATOM 0 H HIS A 158 16.603 10.781 13.884 1.00 0.00 H new ATOM 0 HA HIS A 158 16.858 12.171 12.020 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.990 12.818 14.142 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.803 13.865 12.749 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.716 12.799 15.934 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.735 16.037 14.086 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.735 14.522 16.152 1.00 0.00 H new ATOM 703 N THR A 159 18.953 10.366 11.138 1.00 0.00 N ATOM 704 CA THR A 159 19.917 10.018 10.055 1.00 0.00 C ATOM 705 C THR A 159 19.215 10.120 8.695 1.00 0.00 C ATOM 706 O THR A 159 18.029 9.882 8.581 1.00 0.00 O ATOM 707 CB THR A 159 20.340 8.578 10.339 1.00 0.00 C ATOM 708 OG1 THR A 159 21.290 8.569 11.394 1.00 0.00 O ATOM 709 CG2 THR A 159 20.958 7.959 9.081 1.00 0.00 C ATOM 0 H THR A 159 18.460 9.578 11.558 1.00 0.00 H new ATOM 0 HA THR A 159 20.777 10.687 10.028 1.00 0.00 H new ATOM 0 HB THR A 159 19.467 7.994 10.629 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.822 8.570 12.255 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.258 6.932 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.225 7.966 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.832 8.538 8.782 1.00 0.00 H new ATOM 717 N GLU A 160 19.933 10.472 7.663 1.00 0.00 N ATOM 718 CA GLU A 160 19.295 10.585 6.319 1.00 0.00 C ATOM 719 C GLU A 160 18.733 9.229 5.883 1.00 0.00 C ATOM 720 O GLU A 160 19.389 8.211 5.988 1.00 0.00 O ATOM 721 CB GLU A 160 20.415 11.033 5.379 1.00 0.00 C ATOM 722 CG GLU A 160 19.912 12.178 4.496 1.00 0.00 C ATOM 723 CD GLU A 160 20.424 11.986 3.067 1.00 0.00 C ATOM 724 OE1 GLU A 160 20.980 10.936 2.795 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.250 12.894 2.271 1.00 0.00 O ATOM 0 H GLU A 160 20.930 10.686 7.691 1.00 0.00 H new ATOM 0 HA GLU A 160 18.462 11.287 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.281 11.358 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.740 10.197 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 160 18.822 12.204 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 160 20.256 13.134 4.891 1.00 0.00 H new ATOM 732 N VAL A 161 17.522 9.208 5.397 1.00 0.00 N ATOM 733 CA VAL A 161 16.915 7.919 4.957 1.00 0.00 C ATOM 734 C VAL A 161 16.981 7.792 3.432 1.00 0.00 C ATOM 735 O VAL A 161 17.016 8.775 2.719 1.00 0.00 O ATOM 736 CB VAL A 161 15.465 7.993 5.428 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.429 8.104 6.953 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.794 9.224 4.815 1.00 0.00 C ATOM 0 H VAL A 161 16.926 10.028 5.285 1.00 0.00 H new ATOM 0 HA VAL A 161 17.436 7.053 5.366 1.00 0.00 H new ATOM 0 HB VAL A 161 14.935 7.093 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.394 8.157 7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.909 7.230 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.958 9.004 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.758 9.279 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.325 10.122 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.820 9.149 3.728 1.00 0.00 H new ATOM 748 N GLU A 162 16.997 6.588 2.929 1.00 0.00 N ATOM 749 CA GLU A 162 17.061 6.397 1.451 1.00 0.00 C ATOM 750 C GLU A 162 15.963 5.432 0.997 1.00 0.00 C ATOM 751 O GLU A 162 15.473 4.628 1.764 1.00 0.00 O ATOM 752 CB GLU A 162 18.444 5.800 1.191 1.00 0.00 C ATOM 753 CG GLU A 162 19.520 6.772 1.677 1.00 0.00 C ATOM 754 CD GLU A 162 20.735 5.984 2.172 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.674 4.766 2.146 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.703 6.611 2.568 1.00 0.00 O ATOM 0 H GLU A 162 16.969 5.728 3.477 1.00 0.00 H new ATOM 0 HA GLU A 162 16.910 7.328 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.542 4.845 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.572 5.602 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.813 7.441 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.126 7.395 2.480 1.00 0.00 H new ATOM 763 N GLU A 163 15.572 5.505 -0.246 1.00 0.00 N ATOM 764 CA GLU A 163 14.504 4.592 -0.748 1.00 0.00 C ATOM 765 C GLU A 163 14.905 3.131 -0.527 1.00 0.00 C ATOM 766 O GLU A 163 16.045 2.754 -0.720 1.00 0.00 O ATOM 767 CB GLU A 163 14.391 4.899 -2.242 1.00 0.00 C ATOM 768 CG GLU A 163 13.381 6.028 -2.454 1.00 0.00 C ATOM 769 CD GLU A 163 13.069 6.163 -3.945 1.00 0.00 C ATOM 770 OE1 GLU A 163 13.388 5.245 -4.682 1.00 0.00 O ATOM 771 OE2 GLU A 163 12.516 7.183 -4.324 1.00 0.00 O ATOM 0 H GLU A 163 15.945 6.157 -0.936 1.00 0.00 H new ATOM 0 HA GLU A 163 13.557 4.740 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.364 5.187 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.076 4.008 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.467 5.821 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.782 6.966 -2.070 1.00 0.00 H new ATOM 778 N ASP A 164 13.977 2.307 -0.126 1.00 0.00 N ATOM 779 CA ASP A 164 14.303 0.871 0.107 1.00 0.00 C ATOM 780 C ASP A 164 14.157 0.076 -1.194 1.00 0.00 C ATOM 781 O ASP A 164 13.062 -0.220 -1.631 1.00 0.00 O ATOM 782 CB ASP A 164 13.280 0.397 1.141 1.00 0.00 C ATOM 783 CG ASP A 164 13.681 -0.986 1.660 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.169 -1.777 0.869 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.492 -1.231 2.840 1.00 0.00 O ATOM 0 H ASP A 164 13.006 2.566 0.051 1.00 0.00 H new ATOM 0 HA ASP A 164 15.328 0.731 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.227 1.106 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.287 0.355 0.693 1.00 0.00 H new