USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 Single : A 162 SER OG : rot 32:sc= 0.0792 USER MOD Single : A 167 ASN : amide:sc= 0.35 K(o=0.35,f=-0.34) USER MOD Single : A 169 THR OG1 : rot 172:sc= 0.359 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 178 THR OG1 : rot 64:sc= 1.22 USER MOD Single : A 182 SER OG : rot 180:sc= 0.689 USER MOD Single : A 183 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl -146:sc= 0 (180deg=-0.0208) USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= 0.503 K(o=0.5,f=-4.4!) USER MOD Single : A 210 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 219 GLN : amide:sc= 0.963 K(o=0.96,f=0) USER MOD Single : A 220 TYR OH : rot -123:sc= 0.688 USER MOD Single : A 226 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 51.220 18.829 8.683 1.00 0.00 N ATOM 314 CA SER A 162 51.663 17.953 9.777 1.00 0.00 C ATOM 315 C SER A 162 51.024 16.555 9.751 1.00 0.00 C ATOM 316 O SER A 162 49.835 16.392 9.465 1.00 0.00 O ATOM 317 CB SER A 162 51.351 18.611 11.132 1.00 0.00 C ATOM 318 OG SER A 162 51.994 19.872 11.245 1.00 0.00 O ATOM 0 HA SER A 162 52.736 17.820 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 162 50.274 18.737 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 162 51.678 17.958 11.941 1.00 0.00 H new ATOM 0 HG SER A 162 52.062 20.285 10.359 1.00 0.00 H new ATOM 324 N ILE A 163 51.811 15.536 10.122 1.00 0.00 N ATOM 325 CA ILE A 163 51.382 14.136 10.236 1.00 0.00 C ATOM 326 C ILE A 163 51.935 13.498 11.520 1.00 0.00 C ATOM 327 O ILE A 163 53.044 13.829 11.956 1.00 0.00 O ATOM 328 CB ILE A 163 51.756 13.320 8.972 1.00 0.00 C ATOM 329 CG1 ILE A 163 53.268 13.067 8.797 1.00 0.00 C ATOM 330 CG2 ILE A 163 51.239 13.974 7.678 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.548 11.677 8.230 1.00 0.00 C ATOM 0 H ILE A 163 52.794 15.668 10.358 1.00 0.00 H new ATOM 0 HA ILE A 163 50.294 14.122 10.306 1.00 0.00 H new ATOM 0 HB ILE A 163 51.265 12.361 9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.688 13.822 8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.768 13.175 9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 163 51.527 13.364 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 163 50.153 14.052 7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 163 51.671 14.970 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.624 11.538 8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 163 53.151 10.921 8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 163 53.070 11.578 7.256 1.00 0.00 H new ATOM 343 N PHE A 164 51.162 12.579 12.096 1.00 0.00 N ATOM 344 CA PHE A 164 51.331 12.013 13.434 1.00 0.00 C ATOM 345 C PHE A 164 51.291 10.479 13.347 1.00 0.00 C ATOM 346 O PHE A 164 50.265 9.904 12.996 1.00 0.00 O ATOM 347 CB PHE A 164 50.206 12.556 14.340 1.00 0.00 C ATOM 348 CG PHE A 164 50.258 14.054 14.599 1.00 0.00 C ATOM 349 CD1 PHE A 164 49.739 14.965 13.657 1.00 0.00 C ATOM 350 CD2 PHE A 164 50.833 14.540 15.790 1.00 0.00 C ATOM 351 CE1 PHE A 164 49.831 16.350 13.885 1.00 0.00 C ATOM 352 CE2 PHE A 164 50.916 15.925 16.023 1.00 0.00 C ATOM 353 CZ PHE A 164 50.422 16.831 15.066 1.00 0.00 C ATOM 0 H PHE A 164 50.354 12.186 11.613 1.00 0.00 H new ATOM 0 HA PHE A 164 52.293 12.299 13.859 1.00 0.00 H new ATOM 0 HB2 PHE A 164 49.245 12.314 13.886 1.00 0.00 H new ATOM 0 HB3 PHE A 164 50.247 12.035 15.297 1.00 0.00 H new ATOM 0 HD1 PHE A 164 49.269 14.598 12.757 1.00 0.00 H new ATOM 0 HD2 PHE A 164 51.211 13.847 16.527 1.00 0.00 H new ATOM 0 HE1 PHE A 164 49.447 17.044 13.152 1.00 0.00 H new ATOM 0 HE2 PHE A 164 51.359 16.293 16.937 1.00 0.00 H new ATOM 0 HZ PHE A 164 50.497 17.894 15.239 1.00 0.00 H new ATOM 363 N VAL A 165 52.411 9.822 13.650 1.00 0.00 N ATOM 364 CA VAL A 165 52.647 8.377 13.484 1.00 0.00 C ATOM 365 C VAL A 165 52.424 7.696 14.841 1.00 0.00 C ATOM 366 O VAL A 165 53.244 7.839 15.747 1.00 0.00 O ATOM 367 CB VAL A 165 54.083 8.111 12.954 1.00 0.00 C ATOM 368 CG1 VAL A 165 54.364 6.617 12.744 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.394 8.866 11.651 1.00 0.00 C ATOM 0 H VAL A 165 53.223 10.303 14.038 1.00 0.00 H new ATOM 0 HA VAL A 165 51.954 7.967 12.749 1.00 0.00 H new ATOM 0 HB VAL A 165 54.739 8.490 13.737 1.00 0.00 H new ATOM 0 HG11 VAL A 165 55.381 6.487 12.373 1.00 0.00 H new ATOM 0 HG12 VAL A 165 54.253 6.089 13.691 1.00 0.00 H new ATOM 0 HG13 VAL A 165 53.658 6.213 12.018 1.00 0.00 H new ATOM 0 HG21 VAL A 165 55.411 8.639 11.333 1.00 0.00 H new ATOM 0 HG22 VAL A 165 53.693 8.557 10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.298 9.939 11.820 1.00 0.00 H new ATOM 379 N GLY A 166 51.306 6.978 14.991 1.00 0.00 N ATOM 380 CA GLY A 166 50.823 6.454 16.283 1.00 0.00 C ATOM 381 C GLY A 166 51.432 5.113 16.715 1.00 0.00 C ATOM 382 O GLY A 166 51.255 4.712 17.864 1.00 0.00 O ATOM 0 H GLY A 166 50.698 6.738 14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 166 51.029 7.194 17.056 1.00 0.00 H new ATOM 0 HA3 GLY A 166 49.740 6.342 16.229 1.00 0.00 H new ATOM 386 N ASN A 167 52.155 4.436 15.818 1.00 0.00 N ATOM 387 CA ASN A 167 52.873 3.173 16.060 1.00 0.00 C ATOM 388 C ASN A 167 53.973 2.969 15.001 1.00 0.00 C ATOM 389 O ASN A 167 53.875 3.549 13.924 1.00 0.00 O ATOM 390 CB ASN A 167 51.871 1.999 16.058 1.00 0.00 C ATOM 391 CG ASN A 167 52.518 0.666 16.441 1.00 0.00 C ATOM 392 OD1 ASN A 167 53.257 0.569 17.412 1.00 0.00 O ATOM 393 ND2 ASN A 167 52.301 -0.386 15.673 1.00 0.00 N ATOM 0 H ASN A 167 52.263 4.765 14.859 1.00 0.00 H new ATOM 0 HA ASN A 167 53.357 3.214 17.036 1.00 0.00 H new ATOM 0 HB2 ASN A 167 51.061 2.218 16.754 1.00 0.00 H new ATOM 0 HB3 ASN A 167 51.425 1.910 15.067 1.00 0.00 H new ATOM 0 HD21 ASN A 167 52.749 -1.277 15.890 1.00 0.00 H new ATOM 0 HD22 ASN A 167 51.686 -0.308 14.863 1.00 0.00 H new ATOM 400 N LEU A 168 54.994 2.153 15.294 1.00 0.00 N ATOM 401 CA LEU A 168 56.158 1.784 14.456 1.00 0.00 C ATOM 402 C LEU A 168 57.070 0.839 15.290 1.00 0.00 C ATOM 403 O LEU A 168 56.532 0.066 16.089 1.00 0.00 O ATOM 404 CB LEU A 168 56.860 3.052 13.875 1.00 0.00 C ATOM 405 CG LEU A 168 57.006 4.318 14.757 1.00 0.00 C ATOM 406 CD1 LEU A 168 57.667 4.094 16.119 1.00 0.00 C ATOM 407 CD2 LEU A 168 57.818 5.365 13.984 1.00 0.00 C ATOM 0 H LEU A 168 55.037 1.690 16.202 1.00 0.00 H new ATOM 0 HA LEU A 168 55.854 1.231 13.567 1.00 0.00 H new ATOM 0 HB2 LEU A 168 57.861 2.756 13.561 1.00 0.00 H new ATOM 0 HB3 LEU A 168 56.317 3.342 12.975 1.00 0.00 H new ATOM 0 HG LEU A 168 55.989 4.647 14.972 1.00 0.00 H new ATOM 0 HD11 LEU A 168 57.721 5.040 16.657 1.00 0.00 H new ATOM 0 HD12 LEU A 168 57.078 3.381 16.696 1.00 0.00 H new ATOM 0 HD13 LEU A 168 58.673 3.700 15.975 1.00 0.00 H new ATOM 0 HD21 LEU A 168 57.929 6.262 14.593 1.00 0.00 H new ATOM 0 HD22 LEU A 168 58.803 4.961 13.750 1.00 0.00 H new ATOM 0 HD23 LEU A 168 57.300 5.617 13.059 1.00 0.00 H new ATOM 419 N THR A 169 58.408 0.889 15.170 1.00 0.00 N ATOM 420 CA THR A 169 59.376 0.189 16.053 1.00 0.00 C ATOM 421 C THR A 169 60.112 1.174 16.956 1.00 0.00 C ATOM 422 O THR A 169 60.502 2.255 16.524 1.00 0.00 O ATOM 423 CB THR A 169 60.410 -0.618 15.248 1.00 0.00 C ATOM 424 OG1 THR A 169 60.968 0.172 14.227 1.00 0.00 O ATOM 425 CG2 THR A 169 59.775 -1.837 14.598 1.00 0.00 C ATOM 0 H THR A 169 58.866 1.431 14.437 1.00 0.00 H new ATOM 0 HA THR A 169 58.792 -0.499 16.664 1.00 0.00 H new ATOM 0 HB THR A 169 61.181 -0.935 15.950 1.00 0.00 H new ATOM 0 HG1 THR A 169 61.709 -0.312 13.807 1.00 0.00 H new ATOM 0 HG21 THR A 169 60.531 -2.386 14.037 1.00 0.00 H new ATOM 0 HG22 THR A 169 59.355 -2.483 15.369 1.00 0.00 H new ATOM 0 HG23 THR A 169 58.982 -1.517 13.922 1.00 0.00 H new ATOM 433 N TYR A 170 60.363 0.784 18.210 1.00 0.00 N ATOM 434 CA TYR A 170 61.028 1.660 19.193 1.00 0.00 C ATOM 435 C TYR A 170 62.439 2.114 18.765 1.00 0.00 C ATOM 436 O TYR A 170 62.905 3.173 19.188 1.00 0.00 O ATOM 437 CB TYR A 170 61.104 0.953 20.556 1.00 0.00 C ATOM 438 CG TYR A 170 59.768 0.556 21.161 1.00 0.00 C ATOM 439 CD1 TYR A 170 58.798 1.539 21.430 1.00 0.00 C ATOM 440 CD2 TYR A 170 59.496 -0.791 21.478 1.00 0.00 C ATOM 441 CE1 TYR A 170 57.556 1.185 21.990 1.00 0.00 C ATOM 442 CE2 TYR A 170 58.260 -1.151 22.053 1.00 0.00 C ATOM 443 CZ TYR A 170 57.280 -0.164 22.304 1.00 0.00 C ATOM 444 OH TYR A 170 56.075 -0.521 22.831 1.00 0.00 O ATOM 0 H TYR A 170 60.116 -0.136 18.574 1.00 0.00 H new ATOM 0 HA TYR A 170 60.419 2.561 19.261 1.00 0.00 H new ATOM 0 HB2 TYR A 170 61.715 0.057 20.448 1.00 0.00 H new ATOM 0 HB3 TYR A 170 61.621 1.608 21.257 1.00 0.00 H new ATOM 0 HD1 TYR A 170 59.008 2.574 21.205 1.00 0.00 H new ATOM 0 HD2 TYR A 170 60.238 -1.550 21.279 1.00 0.00 H new ATOM 0 HE1 TYR A 170 56.813 1.946 22.180 1.00 0.00 H new ATOM 0 HE2 TYR A 170 58.062 -2.183 22.302 1.00 0.00 H new ATOM 0 HH TYR A 170 56.059 -1.489 22.984 1.00 0.00 H new ATOM 454 N ASP A 171 63.101 1.330 17.908 1.00 0.00 N ATOM 455 CA ASP A 171 64.435 1.587 17.358 1.00 0.00 C ATOM 456 C ASP A 171 64.413 2.426 16.054 1.00 0.00 C ATOM 457 O ASP A 171 65.466 2.758 15.504 1.00 0.00 O ATOM 458 CB ASP A 171 65.130 0.228 17.158 1.00 0.00 C ATOM 459 CG ASP A 171 66.650 0.350 16.981 1.00 0.00 C ATOM 460 OD1 ASP A 171 67.318 0.897 17.893 1.00 0.00 O ATOM 461 OD2 ASP A 171 67.181 -0.163 15.968 1.00 0.00 O ATOM 0 H ASP A 171 62.702 0.457 17.563 1.00 0.00 H new ATOM 0 HA ASP A 171 64.996 2.200 18.064 1.00 0.00 H new ATOM 0 HB2 ASP A 171 64.920 -0.411 18.016 1.00 0.00 H new ATOM 0 HB3 ASP A 171 64.707 -0.265 16.283 1.00 0.00 H new ATOM 466 N SER A 172 63.228 2.790 15.550 1.00 0.00 N ATOM 467 CA SER A 172 63.087 3.684 14.394 1.00 0.00 C ATOM 468 C SER A 172 63.501 5.130 14.724 1.00 0.00 C ATOM 469 O SER A 172 63.449 5.575 15.880 1.00 0.00 O ATOM 470 CB SER A 172 61.650 3.637 13.865 1.00 0.00 C ATOM 471 OG SER A 172 61.531 4.375 12.660 1.00 0.00 O ATOM 0 H SER A 172 62.338 2.472 15.933 1.00 0.00 H new ATOM 0 HA SER A 172 63.765 3.330 13.617 1.00 0.00 H new ATOM 0 HB2 SER A 172 61.355 2.602 13.693 1.00 0.00 H new ATOM 0 HB3 SER A 172 60.969 4.042 14.613 1.00 0.00 H new ATOM 0 HG SER A 172 60.606 4.330 12.339 1.00 0.00 H new ATOM 477 N THR A 173 63.911 5.874 13.690 1.00 0.00 N ATOM 478 CA THR A 173 64.503 7.215 13.790 1.00 0.00 C ATOM 479 C THR A 173 63.764 8.177 12.858 1.00 0.00 C ATOM 480 O THR A 173 63.184 7.742 11.857 1.00 0.00 O ATOM 481 CB THR A 173 66.004 7.178 13.457 1.00 0.00 C ATOM 482 OG1 THR A 173 66.145 6.904 12.085 1.00 0.00 O ATOM 483 CG2 THR A 173 66.794 6.142 14.262 1.00 0.00 C ATOM 0 H THR A 173 63.837 5.548 12.726 1.00 0.00 H new ATOM 0 HA THR A 173 64.400 7.568 14.816 1.00 0.00 H new ATOM 0 HB THR A 173 66.417 8.150 13.725 1.00 0.00 H new ATOM 0 HG1 THR A 173 67.097 6.878 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 173 67.844 6.178 13.970 1.00 0.00 H new ATOM 0 HG22 THR A 173 66.706 6.363 15.326 1.00 0.00 H new ATOM 0 HG23 THR A 173 66.396 5.147 14.064 1.00 0.00 H new ATOM 491 N PRO A 174 63.786 9.494 13.135 1.00 0.00 N ATOM 492 CA PRO A 174 63.198 10.471 12.229 1.00 0.00 C ATOM 493 C PRO A 174 63.941 10.549 10.894 1.00 0.00 C ATOM 494 O PRO A 174 63.319 10.911 9.901 1.00 0.00 O ATOM 495 CB PRO A 174 63.211 11.797 12.983 1.00 0.00 C ATOM 496 CG PRO A 174 64.335 11.642 14.006 1.00 0.00 C ATOM 497 CD PRO A 174 64.323 10.147 14.322 1.00 0.00 C ATOM 0 HA PRO A 174 62.182 10.189 11.953 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.398 12.634 12.311 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.254 11.987 13.470 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.295 11.959 13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.153 12.243 14.897 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.327 9.787 14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 174 63.707 9.937 15.196 1.00 0.00 H new ATOM 505 N GLU A 175 65.221 10.158 10.827 1.00 0.00 N ATOM 506 CA GLU A 175 65.951 10.023 9.560 1.00 0.00 C ATOM 507 C GLU A 175 65.427 8.843 8.714 1.00 0.00 C ATOM 508 O GLU A 175 65.312 8.959 7.491 1.00 0.00 O ATOM 509 CB GLU A 175 67.455 9.864 9.824 1.00 0.00 C ATOM 510 CG GLU A 175 68.066 11.104 10.489 1.00 0.00 C ATOM 511 CD GLU A 175 69.583 10.938 10.637 1.00 0.00 C ATOM 512 OE1 GLU A 175 70.330 11.323 9.706 1.00 0.00 O ATOM 513 OE2 GLU A 175 70.043 10.424 11.686 1.00 0.00 O ATOM 0 H GLU A 175 65.779 9.927 11.649 1.00 0.00 H new ATOM 0 HA GLU A 175 65.783 10.935 8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.619 8.995 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.968 9.670 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 175 67.847 11.990 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 175 67.613 11.260 11.468 1.00 0.00 H new ATOM 520 N ASP A 176 65.032 7.733 9.347 1.00 0.00 N ATOM 521 CA ASP A 176 64.414 6.589 8.669 1.00 0.00 C ATOM 522 C ASP A 176 62.981 6.907 8.197 1.00 0.00 C ATOM 523 O ASP A 176 62.616 6.549 7.073 1.00 0.00 O ATOM 524 CB ASP A 176 64.449 5.363 9.594 1.00 0.00 C ATOM 525 CG ASP A 176 64.002 4.078 8.879 1.00 0.00 C ATOM 526 OD1 ASP A 176 64.610 3.721 7.842 1.00 0.00 O ATOM 527 OD2 ASP A 176 63.085 3.397 9.395 1.00 0.00 O ATOM 0 H ASP A 176 65.133 7.603 10.354 1.00 0.00 H new ATOM 0 HA ASP A 176 64.989 6.366 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 176 65.460 5.229 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.803 5.541 10.454 1.00 0.00 H new ATOM 532 N LEU A 177 62.204 7.664 8.991 1.00 0.00 N ATOM 533 CA LEU A 177 60.944 8.257 8.522 1.00 0.00 C ATOM 534 C LEU A 177 61.155 9.317 7.437 1.00 0.00 C ATOM 535 O LEU A 177 60.290 9.451 6.574 1.00 0.00 O ATOM 536 CB LEU A 177 60.132 8.868 9.677 1.00 0.00 C ATOM 537 CG LEU A 177 59.447 7.869 10.627 1.00 0.00 C ATOM 538 CD1 LEU A 177 58.554 8.669 11.592 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.604 6.809 9.901 1.00 0.00 C ATOM 0 H LEU A 177 62.429 7.879 9.962 1.00 0.00 H new ATOM 0 HA LEU A 177 60.381 7.431 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 177 60.796 9.501 10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.366 9.517 9.252 1.00 0.00 H new ATOM 0 HG LEU A 177 60.228 7.322 11.155 1.00 0.00 H new ATOM 0 HD11 LEU A 177 58.055 7.985 12.278 1.00 0.00 H new ATOM 0 HD12 LEU A 177 59.167 9.369 12.160 1.00 0.00 H new ATOM 0 HD13 LEU A 177 57.806 9.221 11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 177 58.152 6.140 10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.820 7.300 9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 177 59.242 6.234 9.230 1.00 0.00 H new ATOM 551 N THR A 178 62.281 10.043 7.432 1.00 0.00 N ATOM 552 CA THR A 178 62.592 11.022 6.380 1.00 0.00 C ATOM 553 C THR A 178 62.837 10.292 5.069 1.00 0.00 C ATOM 554 O THR A 178 62.234 10.664 4.068 1.00 0.00 O ATOM 555 CB THR A 178 63.760 11.941 6.759 1.00 0.00 C ATOM 556 OG1 THR A 178 63.384 12.703 7.880 1.00 0.00 O ATOM 557 CG2 THR A 178 64.089 12.934 5.645 1.00 0.00 C ATOM 0 H THR A 178 62.999 9.970 8.153 1.00 0.00 H new ATOM 0 HA THR A 178 61.733 11.682 6.259 1.00 0.00 H new ATOM 0 HB THR A 178 64.628 11.309 6.950 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.241 12.109 8.646 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.922 13.565 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.363 12.389 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 178 63.217 13.556 5.443 1.00 0.00 H new ATOM 565 N GLU A 179 63.636 9.223 5.068 1.00 0.00 N ATOM 566 CA GLU A 179 63.851 8.406 3.868 1.00 0.00 C ATOM 567 C GLU A 179 62.542 7.765 3.359 1.00 0.00 C ATOM 568 O GLU A 179 62.326 7.695 2.148 1.00 0.00 O ATOM 569 CB GLU A 179 64.934 7.349 4.144 1.00 0.00 C ATOM 570 CG GLU A 179 65.389 6.640 2.861 1.00 0.00 C ATOM 571 CD GLU A 179 66.595 5.728 3.129 1.00 0.00 C ATOM 572 OE1 GLU A 179 67.751 6.205 3.036 1.00 0.00 O ATOM 573 OE2 GLU A 179 66.398 4.524 3.420 1.00 0.00 O ATOM 0 H GLU A 179 64.148 8.900 5.889 1.00 0.00 H new ATOM 0 HA GLU A 179 64.199 9.060 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.792 7.825 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.549 6.611 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 179 64.566 6.050 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 179 65.651 7.381 2.106 1.00 0.00 H new ATOM 580 N PHE A 180 61.643 7.357 4.263 1.00 0.00 N ATOM 581 CA PHE A 180 60.322 6.815 3.935 1.00 0.00 C ATOM 582 C PHE A 180 59.417 7.883 3.292 1.00 0.00 C ATOM 583 O PHE A 180 59.055 7.772 2.120 1.00 0.00 O ATOM 584 CB PHE A 180 59.719 6.219 5.220 1.00 0.00 C ATOM 585 CG PHE A 180 58.395 5.487 5.083 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.302 4.332 4.282 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.280 5.895 5.841 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.116 3.575 4.264 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.090 5.145 5.815 1.00 0.00 C ATOM 590 CZ PHE A 180 56.013 3.978 5.035 1.00 0.00 C ATOM 0 H PHE A 180 61.820 7.396 5.267 1.00 0.00 H new ATOM 0 HA PHE A 180 60.412 6.027 3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.446 5.528 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 180 59.587 7.027 5.939 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.144 4.026 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.339 6.788 6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 180 57.054 2.684 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.236 5.466 6.394 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.106 3.391 5.029 1.00 0.00 H new ATOM 600 N PHE A 181 59.077 8.941 4.034 1.00 0.00 N ATOM 601 CA PHE A 181 58.126 9.968 3.607 1.00 0.00 C ATOM 602 C PHE A 181 58.652 10.887 2.496 1.00 0.00 C ATOM 603 O PHE A 181 57.920 11.218 1.567 1.00 0.00 O ATOM 604 CB PHE A 181 57.646 10.750 4.841 1.00 0.00 C ATOM 605 CG PHE A 181 56.624 10.013 5.693 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.352 9.728 5.158 1.00 0.00 C ATOM 607 CD2 PHE A 181 56.916 9.635 7.020 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.377 9.082 5.938 1.00 0.00 C ATOM 609 CE2 PHE A 181 55.937 8.994 7.802 1.00 0.00 C ATOM 610 CZ PHE A 181 54.668 8.715 7.260 1.00 0.00 C ATOM 0 H PHE A 181 59.462 9.109 4.963 1.00 0.00 H new ATOM 0 HA PHE A 181 57.278 9.463 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.509 10.994 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.213 11.695 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 181 55.124 10.008 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 181 57.892 9.838 7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.405 8.868 5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 181 56.160 8.715 8.821 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.920 8.219 7.861 1.00 0.00 H new ATOM 620 N SER A 182 59.924 11.277 2.540 1.00 0.00 N ATOM 621 CA SER A 182 60.512 12.220 1.569 1.00 0.00 C ATOM 622 C SER A 182 60.767 11.627 0.166 1.00 0.00 C ATOM 623 O SER A 182 61.129 12.367 -0.749 1.00 0.00 O ATOM 624 CB SER A 182 61.750 12.919 2.155 1.00 0.00 C ATOM 625 OG SER A 182 61.875 14.239 1.639 1.00 0.00 O ATOM 0 H SER A 182 60.583 10.952 3.247 1.00 0.00 H new ATOM 0 HA SER A 182 59.749 12.979 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 182 61.673 12.954 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.645 12.344 1.917 1.00 0.00 H new ATOM 0 HG SER A 182 62.667 14.667 2.025 1.00 0.00 H new ATOM 631 N GLN A 183 60.524 10.324 -0.049 1.00 0.00 N ATOM 632 CA GLN A 183 60.429 9.741 -1.399 1.00 0.00 C ATOM 633 C GLN A 183 59.128 10.134 -2.133 1.00 0.00 C ATOM 634 O GLN A 183 59.059 10.002 -3.357 1.00 0.00 O ATOM 635 CB GLN A 183 60.583 8.213 -1.337 1.00 0.00 C ATOM 636 CG GLN A 183 62.065 7.813 -1.321 1.00 0.00 C ATOM 637 CD GLN A 183 62.229 6.303 -1.173 1.00 0.00 C ATOM 638 OE1 GLN A 183 62.302 5.548 -2.137 1.00 0.00 O ATOM 639 NE2 GLN A 183 62.281 5.815 0.046 1.00 0.00 N ATOM 0 H GLN A 183 60.388 9.648 0.702 1.00 0.00 H new ATOM 0 HA GLN A 183 61.250 10.158 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 183 60.089 7.829 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 183 60.089 7.758 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 183 62.544 8.145 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 183 62.572 8.319 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 183 62.220 6.441 0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 183 62.382 4.810 0.189 1.00 0.00 H new ATOM 648 N ILE A 184 58.110 10.646 -1.424 1.00 0.00 N ATOM 649 CA ILE A 184 56.857 11.141 -2.032 1.00 0.00 C ATOM 650 C ILE A 184 57.042 12.549 -2.626 1.00 0.00 C ATOM 651 O ILE A 184 56.630 12.799 -3.764 1.00 0.00 O ATOM 652 CB ILE A 184 55.717 11.115 -0.986 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.456 9.703 -0.415 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.415 11.700 -1.555 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.822 8.709 -1.395 1.00 0.00 C ATOM 0 H ILE A 184 58.129 10.730 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 184 56.586 10.480 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 184 56.057 11.743 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 184 56.402 9.290 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.806 9.795 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.637 11.665 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.582 12.734 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 184 54.101 11.116 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.680 7.749 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.857 9.092 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 184 55.478 8.579 -2.256 1.00 0.00 H new ATOM 667 N GLY A 185 57.687 13.448 -1.871 1.00 0.00 N ATOM 668 CA GLY A 185 57.902 14.854 -2.233 1.00 0.00 C ATOM 669 C GLY A 185 59.085 15.469 -1.496 1.00 0.00 C ATOM 670 O GLY A 185 60.216 15.408 -1.980 1.00 0.00 O ATOM 0 H GLY A 185 58.086 13.209 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 185 58.068 14.928 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.001 15.426 -2.010 1.00 0.00 H new ATOM 674 N LYS A 186 58.825 16.067 -0.324 1.00 0.00 N ATOM 675 CA LYS A 186 59.843 16.762 0.484 1.00 0.00 C ATOM 676 C LYS A 186 59.425 16.881 1.971 1.00 0.00 C ATOM 677 O LYS A 186 58.541 17.669 2.306 1.00 0.00 O ATOM 678 CB LYS A 186 60.136 18.142 -0.165 1.00 0.00 C ATOM 679 CG LYS A 186 61.611 18.583 -0.141 1.00 0.00 C ATOM 680 CD LYS A 186 62.221 18.715 1.262 1.00 0.00 C ATOM 681 CE LYS A 186 63.624 19.334 1.166 1.00 0.00 C ATOM 682 NZ LYS A 186 64.276 19.452 2.500 1.00 0.00 N ATOM 0 H LYS A 186 57.895 16.083 0.095 1.00 0.00 H new ATOM 0 HA LYS A 186 60.761 16.174 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 186 59.799 18.116 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 186 59.540 18.898 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 186 62.200 17.865 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 186 61.697 19.542 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 186 61.582 19.337 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 186 62.278 17.736 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 186 64.246 18.723 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 186 63.554 20.321 0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 65.220 19.874 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 63.697 20.056 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 64.367 18.508 2.927 1.00 0.00 H new ATOM 696 N VAL A 187 60.085 16.145 2.875 1.00 0.00 N ATOM 697 CA VAL A 187 59.980 16.360 4.339 1.00 0.00 C ATOM 698 C VAL A 187 60.764 17.626 4.698 1.00 0.00 C ATOM 699 O VAL A 187 61.924 17.751 4.313 1.00 0.00 O ATOM 700 CB VAL A 187 60.531 15.162 5.154 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.768 15.484 6.641 1.00 0.00 C ATOM 702 CG2 VAL A 187 59.555 13.985 5.077 1.00 0.00 C ATOM 0 H VAL A 187 60.710 15.380 2.619 1.00 0.00 H new ATOM 0 HA VAL A 187 58.925 16.463 4.594 1.00 0.00 H new ATOM 0 HB VAL A 187 61.494 14.917 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 187 61.153 14.599 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 187 61.491 16.295 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 187 59.828 15.786 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.949 13.147 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.591 14.285 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 187 59.429 13.684 4.037 1.00 0.00 H new ATOM 712 N VAL A 188 60.150 18.537 5.455 1.00 0.00 N ATOM 713 CA VAL A 188 60.787 19.776 5.944 1.00 0.00 C ATOM 714 C VAL A 188 61.195 19.701 7.425 1.00 0.00 C ATOM 715 O VAL A 188 62.047 20.468 7.869 1.00 0.00 O ATOM 716 CB VAL A 188 59.888 20.984 5.617 1.00 0.00 C ATOM 717 CG1 VAL A 188 58.758 21.292 6.605 1.00 0.00 C ATOM 718 CG2 VAL A 188 60.729 22.239 5.367 1.00 0.00 C ATOM 0 H VAL A 188 59.180 18.439 5.754 1.00 0.00 H new ATOM 0 HA VAL A 188 61.731 19.907 5.415 1.00 0.00 H new ATOM 0 HB VAL A 188 59.371 20.674 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 188 58.201 22.163 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 188 58.088 20.435 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 188 59.181 21.497 7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 188 60.072 23.078 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 188 61.314 22.469 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 188 61.401 22.065 4.527 1.00 0.00 H new ATOM 728 N ARG A 189 60.634 18.728 8.156 1.00 0.00 N ATOM 729 CA ARG A 189 60.978 18.376 9.548 1.00 0.00 C ATOM 730 C ARG A 189 60.408 16.998 9.927 1.00 0.00 C ATOM 731 O ARG A 189 59.234 16.748 9.676 1.00 0.00 O ATOM 732 CB ARG A 189 60.437 19.488 10.479 1.00 0.00 C ATOM 733 CG ARG A 189 60.553 19.236 11.990 1.00 0.00 C ATOM 734 CD ARG A 189 61.998 19.115 12.493 1.00 0.00 C ATOM 735 NE ARG A 189 62.024 18.870 13.947 1.00 0.00 N ATOM 736 CZ ARG A 189 63.096 18.594 14.684 1.00 0.00 C ATOM 737 NH1 ARG A 189 64.303 18.519 14.161 1.00 0.00 N ATOM 738 NH2 ARG A 189 62.964 18.396 15.978 1.00 0.00 N ATOM 0 H ARG A 189 59.894 18.136 7.779 1.00 0.00 H new ATOM 0 HA ARG A 189 62.060 18.306 9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 189 60.964 20.413 10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 189 59.386 19.651 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 189 60.061 20.050 12.523 1.00 0.00 H new ATOM 0 HG3 ARG A 189 60.015 18.321 12.238 1.00 0.00 H new ATOM 0 HD2 ARG A 189 62.503 18.301 11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 189 62.546 20.029 12.263 1.00 0.00 H new ATOM 0 HE ARG A 189 61.130 18.917 14.436 1.00 0.00 H new ATOM 0 HH11 ARG A 189 64.436 18.675 13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 189 65.104 18.305 14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 189 62.043 18.454 16.411 1.00 0.00 H new ATOM 0 HH22 ARG A 189 63.783 18.184 16.548 1.00 0.00 H new ATOM 752 N ALA A 190 61.201 16.133 10.566 1.00 0.00 N ATOM 753 CA ALA A 190 60.758 14.909 11.259 1.00 0.00 C ATOM 754 C ALA A 190 61.331 14.806 12.693 1.00 0.00 C ATOM 755 O ALA A 190 62.414 15.324 12.973 1.00 0.00 O ATOM 756 CB ALA A 190 61.168 13.695 10.412 1.00 0.00 C ATOM 0 H ALA A 190 62.211 16.267 10.620 1.00 0.00 H new ATOM 0 HA ALA A 190 59.674 14.940 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.848 12.779 10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.696 13.759 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 190 62.251 13.684 10.293 1.00 0.00 H new ATOM 762 N ASP A 191 60.618 14.107 13.585 1.00 0.00 N ATOM 763 CA ASP A 191 60.985 13.826 14.986 1.00 0.00 C ATOM 764 C ASP A 191 60.257 12.565 15.514 1.00 0.00 C ATOM 765 O ASP A 191 59.209 12.192 14.989 1.00 0.00 O ATOM 766 CB ASP A 191 60.675 15.059 15.854 1.00 0.00 C ATOM 767 CG ASP A 191 61.125 14.906 17.318 1.00 0.00 C ATOM 768 OD1 ASP A 191 62.186 14.287 17.571 1.00 0.00 O ATOM 769 OD2 ASP A 191 60.418 15.432 18.212 1.00 0.00 O ATOM 0 H ASP A 191 59.717 13.697 13.338 1.00 0.00 H new ATOM 0 HA ASP A 191 62.054 13.620 15.038 1.00 0.00 H new ATOM 0 HB2 ASP A 191 61.164 15.931 15.421 1.00 0.00 H new ATOM 0 HB3 ASP A 191 59.602 15.251 15.830 1.00 0.00 H new ATOM 774 N ILE A 192 60.793 11.897 16.547 1.00 0.00 N ATOM 775 CA ILE A 192 60.190 10.702 17.183 1.00 0.00 C ATOM 776 C ILE A 192 60.387 10.721 18.708 1.00 0.00 C ATOM 777 O ILE A 192 61.495 10.933 19.206 1.00 0.00 O ATOM 778 CB ILE A 192 60.708 9.368 16.562 1.00 0.00 C ATOM 779 CG1 ILE A 192 60.479 9.319 15.031 1.00 0.00 C ATOM 780 CG2 ILE A 192 60.058 8.138 17.237 1.00 0.00 C ATOM 781 CD1 ILE A 192 60.703 7.960 14.362 1.00 0.00 C ATOM 0 H ILE A 192 61.676 12.173 16.977 1.00 0.00 H new ATOM 0 HA ILE A 192 59.120 10.747 16.980 1.00 0.00 H new ATOM 0 HB ILE A 192 61.782 9.335 16.746 1.00 0.00 H new ATOM 0 HG12 ILE A 192 59.457 9.639 14.826 1.00 0.00 H new ATOM 0 HG13 ILE A 192 61.141 10.047 14.561 1.00 0.00 H new ATOM 0 HG21 ILE A 192 60.442 7.226 16.779 1.00 0.00 H new ATOM 0 HG22 ILE A 192 60.296 8.138 18.301 1.00 0.00 H new ATOM 0 HG23 ILE A 192 58.977 8.181 17.108 1.00 0.00 H new ATOM 0 HD11 ILE A 192 60.514 8.046 13.292 1.00 0.00 H new ATOM 0 HD12 ILE A 192 61.732 7.640 14.524 1.00 0.00 H new ATOM 0 HD13 ILE A 192 60.023 7.226 14.793 1.00 0.00 H new ATOM 933 N MET A 202 56.343 6.838 19.094 1.00 0.00 N ATOM 934 CA MET A 202 55.477 7.631 18.202 1.00 0.00 C ATOM 935 C MET A 202 56.247 8.742 17.477 1.00 0.00 C ATOM 936 O MET A 202 57.052 9.451 18.081 1.00 0.00 O ATOM 937 CB MET A 202 54.275 8.187 18.991 1.00 0.00 C ATOM 938 CG MET A 202 54.677 9.080 20.177 1.00 0.00 C ATOM 939 SD MET A 202 53.296 9.784 21.115 1.00 0.00 S ATOM 940 CE MET A 202 52.761 11.068 19.951 1.00 0.00 C ATOM 0 HA MET A 202 55.102 6.968 17.422 1.00 0.00 H new ATOM 0 HB2 MET A 202 53.641 8.760 18.315 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.677 7.354 19.360 1.00 0.00 H new ATOM 0 HG2 MET A 202 55.297 8.496 20.857 1.00 0.00 H new ATOM 0 HG3 MET A 202 55.295 9.896 19.803 1.00 0.00 H new ATOM 0 HE1 MET A 202 52.397 11.933 20.505 1.00 0.00 H new ATOM 0 HE2 MET A 202 53.603 11.366 19.326 1.00 0.00 H new ATOM 0 HE3 MET A 202 51.961 10.678 19.321 1.00 0.00 H new ATOM 950 N GLY A 203 56.013 8.884 16.170 1.00 0.00 N ATOM 951 CA GLY A 203 56.689 9.852 15.296 1.00 0.00 C ATOM 952 C GLY A 203 55.800 11.012 14.859 1.00 0.00 C ATOM 953 O GLY A 203 54.573 10.916 14.915 1.00 0.00 O ATOM 0 H GLY A 203 55.328 8.313 15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 203 57.560 10.250 15.816 1.00 0.00 H new ATOM 0 HA3 GLY A 203 57.056 9.333 14.410 1.00 0.00 H new ATOM 957 N THR A 204 56.417 12.071 14.338 1.00 0.00 N ATOM 958 CA THR A 204 55.763 13.242 13.734 1.00 0.00 C ATOM 959 C THR A 204 56.618 13.783 12.603 1.00 0.00 C ATOM 960 O THR A 204 57.845 13.773 12.684 1.00 0.00 O ATOM 961 CB THR A 204 55.485 14.365 14.749 1.00 0.00 C ATOM 962 OG1 THR A 204 56.409 14.350 15.817 1.00 0.00 O ATOM 963 CG2 THR A 204 54.071 14.226 15.302 1.00 0.00 C ATOM 0 H THR A 204 57.434 12.144 14.322 1.00 0.00 H new ATOM 0 HA THR A 204 54.798 12.904 13.355 1.00 0.00 H new ATOM 0 HB THR A 204 55.591 15.315 14.224 1.00 0.00 H new ATOM 0 HG1 THR A 204 56.201 15.078 16.439 1.00 0.00 H new ATOM 0 HG21 THR A 204 53.881 15.024 16.020 1.00 0.00 H new ATOM 0 HG22 THR A 204 53.353 14.294 14.485 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.967 13.260 15.797 1.00 0.00 H new ATOM 971 N VAL A 205 55.962 14.239 11.536 1.00 0.00 N ATOM 972 CA VAL A 205 56.628 14.694 10.301 1.00 0.00 C ATOM 973 C VAL A 205 55.836 15.844 9.672 1.00 0.00 C ATOM 974 O VAL A 205 54.612 15.889 9.773 1.00 0.00 O ATOM 975 CB VAL A 205 56.843 13.539 9.282 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.726 13.953 8.097 1.00 0.00 C ATOM 977 CG2 VAL A 205 57.449 12.261 9.892 1.00 0.00 C ATOM 0 H VAL A 205 54.945 14.306 11.497 1.00 0.00 H new ATOM 0 HA VAL A 205 57.620 15.053 10.574 1.00 0.00 H new ATOM 0 HB VAL A 205 55.832 13.316 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.843 13.109 7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 205 57.258 14.783 7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.705 14.262 8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.566 11.506 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 205 58.423 12.491 10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.788 11.880 10.670 1.00 0.00 H new ATOM 987 N GLU A 206 56.539 16.776 9.032 1.00 0.00 N ATOM 988 CA GLU A 206 55.994 17.926 8.315 1.00 0.00 C ATOM 989 C GLU A 206 56.602 17.984 6.912 1.00 0.00 C ATOM 990 O GLU A 206 57.820 17.888 6.738 1.00 0.00 O ATOM 991 CB GLU A 206 56.304 19.230 9.066 1.00 0.00 C ATOM 992 CG GLU A 206 55.602 19.325 10.424 1.00 0.00 C ATOM 993 CD GLU A 206 55.980 20.626 11.148 1.00 0.00 C ATOM 994 OE1 GLU A 206 55.571 21.721 10.693 1.00 0.00 O ATOM 995 OE2 GLU A 206 56.691 20.562 12.179 1.00 0.00 O ATOM 0 H GLU A 206 57.558 16.747 8.998 1.00 0.00 H new ATOM 0 HA GLU A 206 54.912 17.815 8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 206 57.381 19.309 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 206 56.004 20.077 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 206 54.522 19.283 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 206 55.876 18.469 11.040 1.00 0.00 H new ATOM 1002 N PHE A 207 55.747 18.156 5.907 1.00 0.00 N ATOM 1003 CA PHE A 207 56.133 18.300 4.501 1.00 0.00 C ATOM 1004 C PHE A 207 56.213 19.793 4.129 1.00 0.00 C ATOM 1005 O PHE A 207 55.769 20.660 4.884 1.00 0.00 O ATOM 1006 CB PHE A 207 55.108 17.557 3.621 1.00 0.00 C ATOM 1007 CG PHE A 207 55.197 16.034 3.559 1.00 0.00 C ATOM 1008 CD1 PHE A 207 55.335 15.249 4.724 1.00 0.00 C ATOM 1009 CD2 PHE A 207 55.070 15.387 2.309 1.00 0.00 C ATOM 1010 CE1 PHE A 207 55.349 13.850 4.639 1.00 0.00 C ATOM 1011 CE2 PHE A 207 55.065 13.981 2.227 1.00 0.00 C ATOM 1012 CZ PHE A 207 55.191 13.216 3.395 1.00 0.00 C ATOM 0 H PHE A 207 54.738 18.201 6.049 1.00 0.00 H new ATOM 0 HA PHE A 207 57.118 17.863 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 207 54.111 17.821 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 207 55.199 17.940 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 207 55.430 15.729 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 207 54.976 15.976 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 207 55.482 13.258 5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 207 54.965 13.494 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 207 55.167 12.138 3.339 1.00 0.00 H new ATOM 1022 N THR A 208 56.716 20.103 2.929 1.00 0.00 N ATOM 1023 CA THR A 208 56.627 21.454 2.336 1.00 0.00 C ATOM 1024 C THR A 208 55.270 21.736 1.662 1.00 0.00 C ATOM 1025 O THR A 208 55.067 22.823 1.121 1.00 0.00 O ATOM 1026 CB THR A 208 57.773 21.697 1.349 1.00 0.00 C ATOM 1027 OG1 THR A 208 57.630 20.814 0.259 1.00 0.00 O ATOM 1028 CG2 THR A 208 59.160 21.499 1.960 1.00 0.00 C ATOM 0 H THR A 208 57.198 19.427 2.336 1.00 0.00 H new ATOM 0 HA THR A 208 56.715 22.153 3.167 1.00 0.00 H new ATOM 0 HB THR A 208 57.707 22.740 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 208 58.358 20.963 -0.380 1.00 0.00 H new ATOM 0 HG21 THR A 208 59.921 21.688 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 208 59.294 22.192 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 208 59.255 20.475 2.323 1.00 0.00 H new ATOM 1036 N ASN A 209 54.345 20.768 1.684 1.00 0.00 N ATOM 1037 CA ASN A 209 53.121 20.718 0.875 1.00 0.00 C ATOM 1038 C ASN A 209 51.886 20.282 1.699 1.00 0.00 C ATOM 1039 O ASN A 209 51.999 19.987 2.886 1.00 0.00 O ATOM 1040 CB ASN A 209 53.424 19.792 -0.320 1.00 0.00 C ATOM 1041 CG ASN A 209 52.514 20.024 -1.525 1.00 0.00 C ATOM 1042 OD1 ASN A 209 51.375 19.575 -1.568 1.00 0.00 O ATOM 1043 ND2 ASN A 209 52.980 20.747 -2.525 1.00 0.00 N ATOM 0 H ASN A 209 54.435 19.958 2.297 1.00 0.00 H new ATOM 0 HA ASN A 209 52.850 21.710 0.514 1.00 0.00 H new ATOM 0 HB2 ASN A 209 54.460 19.936 -0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 209 53.328 18.755 0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 209 52.392 20.934 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 209 53.929 21.119 -2.486 1.00 0.00 H new ATOM 1050 N SER A 210 50.708 20.230 1.075 1.00 0.00 N ATOM 1051 CA SER A 210 49.421 19.856 1.680 1.00 0.00 C ATOM 1052 C SER A 210 48.764 18.697 0.903 1.00 0.00 C ATOM 1053 O SER A 210 48.727 17.572 1.400 1.00 0.00 O ATOM 1054 CB SER A 210 48.506 21.092 1.758 1.00 0.00 C ATOM 1055 OG SER A 210 48.418 21.779 0.513 1.00 0.00 O ATOM 0 H SER A 210 50.617 20.458 0.085 1.00 0.00 H new ATOM 0 HA SER A 210 49.591 19.497 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 210 47.509 20.784 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 210 48.884 21.773 2.520 1.00 0.00 H new ATOM 0 HG SER A 210 47.826 22.555 0.608 1.00 0.00 H new ATOM 1061 N ASP A 211 48.313 18.918 -0.337 1.00 0.00 N ATOM 1062 CA ASP A 211 47.697 17.887 -1.193 1.00 0.00 C ATOM 1063 C ASP A 211 48.587 16.639 -1.367 1.00 0.00 C ATOM 1064 O ASP A 211 48.103 15.508 -1.322 1.00 0.00 O ATOM 1065 CB ASP A 211 47.375 18.510 -2.560 1.00 0.00 C ATOM 1066 CG ASP A 211 46.755 17.491 -3.529 1.00 0.00 C ATOM 1067 OD1 ASP A 211 45.523 17.264 -3.450 1.00 0.00 O ATOM 1068 OD2 ASP A 211 47.497 16.942 -4.380 1.00 0.00 O ATOM 0 H ASP A 211 48.365 19.833 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 211 46.786 17.544 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 211 46.688 19.345 -2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 211 48.287 18.916 -2.997 1.00 0.00 H new ATOM 1073 N ASP A 212 49.903 16.842 -1.490 1.00 0.00 N ATOM 1074 CA ASP A 212 50.898 15.774 -1.617 1.00 0.00 C ATOM 1075 C ASP A 212 51.043 14.925 -0.333 1.00 0.00 C ATOM 1076 O ASP A 212 51.548 13.803 -0.380 1.00 0.00 O ATOM 1077 CB ASP A 212 52.228 16.429 -2.006 1.00 0.00 C ATOM 1078 CG ASP A 212 53.318 15.419 -2.386 1.00 0.00 C ATOM 1079 OD1 ASP A 212 53.113 14.660 -3.364 1.00 0.00 O ATOM 1080 OD2 ASP A 212 54.395 15.453 -1.745 1.00 0.00 O ATOM 0 H ASP A 212 50.314 17.775 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 212 50.571 15.072 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 212 52.060 17.104 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 212 52.582 17.038 -1.174 1.00 0.00 H new ATOM 1085 N VAL A 213 50.581 15.446 0.808 1.00 0.00 N ATOM 1086 CA VAL A 213 50.622 14.781 2.121 1.00 0.00 C ATOM 1087 C VAL A 213 49.555 13.682 2.245 1.00 0.00 C ATOM 1088 O VAL A 213 49.833 12.611 2.785 1.00 0.00 O ATOM 1089 CB VAL A 213 50.518 15.792 3.284 1.00 0.00 C ATOM 1090 CG1 VAL A 213 50.838 15.130 4.631 1.00 0.00 C ATOM 1091 CG2 VAL A 213 51.498 16.964 3.082 1.00 0.00 C ATOM 0 H VAL A 213 50.154 16.371 0.848 1.00 0.00 H new ATOM 0 HA VAL A 213 51.597 14.298 2.193 1.00 0.00 H new ATOM 0 HB VAL A 213 49.491 16.158 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 213 50.756 15.869 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 213 50.134 14.319 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 213 51.852 14.732 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 213 51.406 17.663 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 213 52.518 16.582 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 213 51.264 17.477 2.149 1.00 0.00 H new ATOM 1101 N ASP A 214 48.360 13.897 1.678 1.00 0.00 N ATOM 1102 CA ASP A 214 47.352 12.842 1.508 1.00 0.00 C ATOM 1103 C ASP A 214 47.889 11.729 0.594 1.00 0.00 C ATOM 1104 O ASP A 214 47.787 10.545 0.918 1.00 0.00 O ATOM 1105 CB ASP A 214 46.062 13.429 0.910 1.00 0.00 C ATOM 1106 CG ASP A 214 45.321 14.355 1.885 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.618 13.830 2.780 1.00 0.00 O ATOM 1108 OD2 ASP A 214 45.430 15.597 1.750 1.00 0.00 O ATOM 0 H ASP A 214 48.065 14.807 1.324 1.00 0.00 H new ATOM 0 HA ASP A 214 47.130 12.418 2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 214 46.307 13.984 0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 214 45.400 12.614 0.616 1.00 0.00 H new ATOM 1113 N ARG A 215 48.543 12.122 -0.508 1.00 0.00 N ATOM 1114 CA ARG A 215 49.149 11.219 -1.494 1.00 0.00 C ATOM 1115 C ARG A 215 50.330 10.401 -0.935 1.00 0.00 C ATOM 1116 O ARG A 215 50.653 9.356 -1.502 1.00 0.00 O ATOM 1117 CB ARG A 215 49.544 12.038 -2.738 1.00 0.00 C ATOM 1118 CG ARG A 215 48.305 12.518 -3.525 1.00 0.00 C ATOM 1119 CD ARG A 215 48.533 13.817 -4.309 1.00 0.00 C ATOM 1120 NE ARG A 215 49.666 13.731 -5.246 1.00 0.00 N ATOM 1121 CZ ARG A 215 50.256 14.768 -5.833 1.00 0.00 C ATOM 1122 NH1 ARG A 215 49.842 16.005 -5.644 1.00 0.00 N ATOM 1123 NH2 ARG A 215 51.277 14.568 -6.639 1.00 0.00 N ATOM 0 H ARG A 215 48.668 13.106 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 215 48.407 10.470 -1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 215 50.137 12.900 -2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 215 50.175 11.431 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 215 48.001 11.734 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 215 47.479 12.665 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 215 47.628 14.064 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 215 48.710 14.632 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 215 50.027 12.802 -5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 215 49.047 16.189 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 215 50.317 16.778 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 215 51.613 13.620 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 215 51.733 15.361 -7.091 1.00 0.00 H new ATOM 1137 N ALA A 216 50.919 10.795 0.203 1.00 0.00 N ATOM 1138 CA ALA A 216 51.839 9.957 0.980 1.00 0.00 C ATOM 1139 C ALA A 216 51.087 8.858 1.744 1.00 0.00 C ATOM 1140 O ALA A 216 51.246 7.671 1.473 1.00 0.00 O ATOM 1141 CB ALA A 216 52.671 10.850 1.924 1.00 0.00 C ATOM 0 H ALA A 216 50.767 11.716 0.613 1.00 0.00 H new ATOM 0 HA ALA A 216 52.519 9.446 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.355 10.229 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.242 11.569 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 216 52.004 11.384 2.601 1.00 0.00 H new ATOM 1147 N ILE A 217 50.233 9.247 2.692 1.00 0.00 N ATOM 1148 CA ILE A 217 49.652 8.319 3.683 1.00 0.00 C ATOM 1149 C ILE A 217 48.663 7.338 3.042 1.00 0.00 C ATOM 1150 O ILE A 217 48.645 6.169 3.423 1.00 0.00 O ATOM 1151 CB ILE A 217 49.071 9.135 4.853 1.00 0.00 C ATOM 1152 CG1 ILE A 217 50.251 9.790 5.609 1.00 0.00 C ATOM 1153 CG2 ILE A 217 48.248 8.270 5.825 1.00 0.00 C ATOM 1154 CD1 ILE A 217 49.781 11.005 6.397 1.00 0.00 C ATOM 0 H ILE A 217 49.920 10.212 2.801 1.00 0.00 H new ATOM 0 HA ILE A 217 50.432 7.676 4.092 1.00 0.00 H new ATOM 0 HB ILE A 217 48.391 9.885 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 217 50.703 9.065 6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 217 51.023 10.088 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.862 8.895 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 217 47.416 7.813 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.883 7.489 6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.628 11.449 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 217 49.352 11.738 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 217 49.026 10.699 7.122 1.00 0.00 H new ATOM 1166 N ARG A 218 47.970 7.749 1.972 1.00 0.00 N ATOM 1167 CA ARG A 218 47.131 6.875 1.134 1.00 0.00 C ATOM 1168 C ARG A 218 47.923 5.765 0.398 1.00 0.00 C ATOM 1169 O ARG A 218 47.320 4.925 -0.271 1.00 0.00 O ATOM 1170 CB ARG A 218 46.318 7.752 0.159 1.00 0.00 C ATOM 1171 CG ARG A 218 45.034 7.088 -0.384 1.00 0.00 C ATOM 1172 CD ARG A 218 44.957 7.082 -1.916 1.00 0.00 C ATOM 1173 NE ARG A 218 45.872 6.081 -2.496 1.00 0.00 N ATOM 1174 CZ ARG A 218 46.200 5.947 -3.776 1.00 0.00 C ATOM 1175 NH1 ARG A 218 45.760 6.775 -4.702 1.00 0.00 N ATOM 1176 NH2 ARG A 218 46.987 4.959 -4.144 1.00 0.00 N ATOM 0 H ARG A 218 47.976 8.719 1.656 1.00 0.00 H new ATOM 0 HA ARG A 218 46.454 6.330 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 218 46.046 8.679 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 218 46.955 8.023 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 218 44.982 6.062 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 218 44.165 7.612 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 218 43.935 6.868 -2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 218 45.208 8.071 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 218 46.298 5.422 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 218 45.147 7.549 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 218 46.032 6.642 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 218 47.341 4.302 -3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 218 47.243 4.850 -5.125 1.00 0.00 H new ATOM 1190 N GLN A 219 49.257 5.739 0.503 1.00 0.00 N ATOM 1191 CA GLN A 219 50.129 4.665 0.007 1.00 0.00 C ATOM 1192 C GLN A 219 50.924 3.975 1.140 1.00 0.00 C ATOM 1193 O GLN A 219 51.598 2.979 0.873 1.00 0.00 O ATOM 1194 CB GLN A 219 51.089 5.232 -1.059 1.00 0.00 C ATOM 1195 CG GLN A 219 50.369 5.804 -2.292 1.00 0.00 C ATOM 1196 CD GLN A 219 51.363 6.241 -3.371 1.00 0.00 C ATOM 1197 OE1 GLN A 219 51.813 5.456 -4.198 1.00 0.00 O ATOM 1198 NE2 GLN A 219 51.742 7.502 -3.413 1.00 0.00 N ATOM 0 H GLN A 219 49.779 6.492 0.952 1.00 0.00 H new ATOM 0 HA GLN A 219 49.492 3.900 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 219 51.698 6.015 -0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 219 51.770 4.443 -1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 219 49.694 5.053 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 219 49.756 6.655 -1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 219 51.376 8.167 -2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 219 52.401 7.813 -4.127 1.00 0.00 H new ATOM 1207 N TYR A 220 50.836 4.455 2.392 1.00 0.00 N ATOM 1208 CA TYR A 220 51.672 3.992 3.515 1.00 0.00 C ATOM 1209 C TYR A 220 50.925 3.555 4.788 1.00 0.00 C ATOM 1210 O TYR A 220 51.484 2.771 5.552 1.00 0.00 O ATOM 1211 CB TYR A 220 52.660 5.099 3.913 1.00 0.00 C ATOM 1212 CG TYR A 220 53.731 5.498 2.912 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.361 4.543 2.087 1.00 0.00 C ATOM 1214 CD2 TYR A 220 54.171 6.836 2.886 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.425 4.921 1.250 1.00 0.00 C ATOM 1216 CE2 TYR A 220 55.242 7.222 2.063 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.885 6.255 1.250 1.00 0.00 C ATOM 1218 OH TYR A 220 56.954 6.587 0.475 1.00 0.00 O ATOM 0 H TYR A 220 50.174 5.185 2.657 1.00 0.00 H new ATOM 0 HA TYR A 220 52.160 3.097 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 220 52.082 5.991 4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.160 4.785 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.024 3.517 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.680 7.572 3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.891 4.190 0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 220 55.574 8.250 2.050 1.00 0.00 H new ATOM 0 HH TYR A 220 57.653 6.984 1.035 1.00 0.00 H new ATOM 1228 N ASP A 221 49.699 4.016 5.060 1.00 0.00 N ATOM 1229 CA ASP A 221 48.978 3.612 6.278 1.00 0.00 C ATOM 1230 C ASP A 221 48.717 2.093 6.272 1.00 0.00 C ATOM 1231 O ASP A 221 48.106 1.566 5.337 1.00 0.00 O ATOM 1232 CB ASP A 221 47.677 4.412 6.417 1.00 0.00 C ATOM 1233 CG ASP A 221 47.085 4.263 7.825 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.644 4.877 8.767 1.00 0.00 O ATOM 1235 OD2 ASP A 221 46.073 3.540 7.980 1.00 0.00 O ATOM 0 H ASP A 221 49.187 4.663 4.461 1.00 0.00 H new ATOM 0 HA ASP A 221 49.597 3.834 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 221 47.870 5.465 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 221 46.954 4.068 5.677 1.00 0.00 H new ATOM 1240 N GLY A 222 49.223 1.379 7.288 1.00 0.00 N ATOM 1241 CA GLY A 222 49.214 -0.089 7.331 1.00 0.00 C ATOM 1242 C GLY A 222 50.455 -0.767 6.756 1.00 0.00 C ATOM 1243 O GLY A 222 50.497 -1.997 6.760 1.00 0.00 O ATOM 0 H GLY A 222 49.653 1.807 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.095 -0.405 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.340 -0.446 6.787 1.00 0.00 H new ATOM 1247 N ALA A 223 51.455 -0.022 6.274 1.00 0.00 N ATOM 1248 CA ALA A 223 52.758 -0.587 5.928 1.00 0.00 C ATOM 1249 C ALA A 223 53.424 -1.203 7.175 1.00 0.00 C ATOM 1250 O ALA A 223 53.908 -0.505 8.070 1.00 0.00 O ATOM 1251 CB ALA A 223 53.643 0.474 5.246 1.00 0.00 C ATOM 0 H ALA A 223 51.383 0.983 6.114 1.00 0.00 H new ATOM 0 HA ALA A 223 52.621 -1.394 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 223 54.609 0.036 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.156 0.823 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 223 53.791 1.315 5.924 1.00 0.00 H new ATOM 1257 N PHE A 224 53.467 -2.536 7.217 1.00 0.00 N ATOM 1258 CA PHE A 224 54.444 -3.280 8.014 1.00 0.00 C ATOM 1259 C PHE A 224 55.863 -2.793 7.671 1.00 0.00 C ATOM 1260 O PHE A 224 56.290 -2.852 6.515 1.00 0.00 O ATOM 1261 CB PHE A 224 54.289 -4.784 7.756 1.00 0.00 C ATOM 1262 CG PHE A 224 53.050 -5.403 8.376 1.00 0.00 C ATOM 1263 CD1 PHE A 224 51.828 -5.422 7.673 1.00 0.00 C ATOM 1264 CD2 PHE A 224 53.128 -5.992 9.653 1.00 0.00 C ATOM 1265 CE1 PHE A 224 50.705 -6.061 8.227 1.00 0.00 C ATOM 1266 CE2 PHE A 224 52.002 -6.624 10.210 1.00 0.00 C ATOM 1267 CZ PHE A 224 50.793 -6.670 9.492 1.00 0.00 C ATOM 0 H PHE A 224 52.823 -3.132 6.697 1.00 0.00 H new ATOM 0 HA PHE A 224 54.270 -3.103 9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 224 54.266 -4.955 6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.169 -5.299 8.142 1.00 0.00 H new ATOM 0 HD1 PHE A 224 51.755 -4.945 6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 224 54.055 -5.958 10.206 1.00 0.00 H new ATOM 0 HE1 PHE A 224 49.774 -6.084 7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 224 52.065 -7.074 11.190 1.00 0.00 H new ATOM 0 HZ PHE A 224 49.934 -7.172 9.911 1.00 0.00 H new ATOM 1277 N PHE A 225 56.573 -2.288 8.683 1.00 0.00 N ATOM 1278 CA PHE A 225 57.809 -1.520 8.546 1.00 0.00 C ATOM 1279 C PHE A 225 58.752 -1.917 9.688 1.00 0.00 C ATOM 1280 O PHE A 225 58.444 -1.685 10.858 1.00 0.00 O ATOM 1281 CB PHE A 225 57.444 -0.025 8.572 1.00 0.00 C ATOM 1282 CG PHE A 225 58.428 0.876 7.862 1.00 0.00 C ATOM 1283 CD1 PHE A 225 58.547 0.776 6.464 1.00 0.00 C ATOM 1284 CD2 PHE A 225 59.175 1.841 8.565 1.00 0.00 C ATOM 1285 CE1 PHE A 225 59.425 1.619 5.769 1.00 0.00 C ATOM 1286 CE2 PHE A 225 60.052 2.689 7.866 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.187 2.573 6.470 1.00 0.00 C ATOM 0 H PHE A 225 56.291 -2.408 9.656 1.00 0.00 H new ATOM 0 HA PHE A 225 58.323 -1.725 7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 225 56.461 0.103 8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.360 0.297 9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 225 57.960 0.047 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 225 59.075 1.929 9.637 1.00 0.00 H new ATOM 0 HE1 PHE A 225 59.517 1.537 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 225 60.624 3.432 8.402 1.00 0.00 H new ATOM 0 HZ PHE A 225 60.874 3.214 5.938 1.00 0.00 H new ATOM 1297 N MET A 226 59.853 -2.608 9.356 1.00 0.00 N ATOM 1298 CA MET A 226 60.698 -3.318 10.336 1.00 0.00 C ATOM 1299 C MET A 226 59.860 -4.344 11.143 1.00 0.00 C ATOM 1300 O MET A 226 59.980 -4.463 12.361 1.00 0.00 O ATOM 1301 CB MET A 226 61.472 -2.280 11.178 1.00 0.00 C ATOM 1302 CG MET A 226 62.677 -2.861 11.926 1.00 0.00 C ATOM 1303 SD MET A 226 63.597 -1.605 12.852 1.00 0.00 S ATOM 1304 CE MET A 226 64.956 -2.627 13.472 1.00 0.00 C ATOM 0 H MET A 226 60.186 -2.692 8.396 1.00 0.00 H new ATOM 0 HA MET A 226 61.454 -3.926 9.840 1.00 0.00 H new ATOM 0 HB2 MET A 226 61.815 -1.479 10.523 1.00 0.00 H new ATOM 0 HB3 MET A 226 60.790 -1.832 11.900 1.00 0.00 H new ATOM 0 HG2 MET A 226 62.334 -3.635 12.613 1.00 0.00 H new ATOM 0 HG3 MET A 226 63.345 -3.342 11.212 1.00 0.00 H new ATOM 0 HE1 MET A 226 65.629 -2.013 14.070 1.00 0.00 H new ATOM 0 HE2 MET A 226 64.554 -3.431 14.088 1.00 0.00 H new ATOM 0 HE3 MET A 226 65.504 -3.053 12.631 1.00 0.00 H new ATOM 1314 N ASP A 227 58.950 -5.042 10.443 1.00 0.00 N ATOM 1315 CA ASP A 227 58.072 -6.129 10.925 1.00 0.00 C ATOM 1316 C ASP A 227 56.875 -5.675 11.798 1.00 0.00 C ATOM 1317 O ASP A 227 56.073 -6.512 12.221 1.00 0.00 O ATOM 1318 CB ASP A 227 58.903 -7.251 11.583 1.00 0.00 C ATOM 1319 CG ASP A 227 58.155 -8.594 11.672 1.00 0.00 C ATOM 1320 OD1 ASP A 227 57.693 -9.101 10.621 1.00 0.00 O ATOM 1321 OD2 ASP A 227 58.080 -9.167 12.787 1.00 0.00 O ATOM 0 H ASP A 227 58.795 -4.850 9.453 1.00 0.00 H new ATOM 0 HA ASP A 227 57.589 -6.533 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 227 59.823 -7.393 11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 227 59.193 -6.938 12.586 1.00 0.00 H new ATOM 1326 N ARG A 228 56.723 -4.364 12.044 1.00 0.00 N ATOM 1327 CA ARG A 228 55.641 -3.774 12.855 1.00 0.00 C ATOM 1328 C ARG A 228 54.879 -2.689 12.091 1.00 0.00 C ATOM 1329 O ARG A 228 55.435 -1.920 11.314 1.00 0.00 O ATOM 1330 CB ARG A 228 56.208 -3.242 14.182 1.00 0.00 C ATOM 1331 CG ARG A 228 56.247 -4.356 15.243 1.00 0.00 C ATOM 1332 CD ARG A 228 57.120 -4.055 16.468 1.00 0.00 C ATOM 1333 NE ARG A 228 56.847 -2.734 17.075 1.00 0.00 N ATOM 1334 CZ ARG A 228 57.096 -2.379 18.330 1.00 0.00 C ATOM 1335 NH1 ARG A 228 57.645 -3.206 19.196 1.00 0.00 N ATOM 1336 NH2 ARG A 228 56.800 -1.159 18.719 1.00 0.00 N ATOM 0 H ARG A 228 57.366 -3.664 11.675 1.00 0.00 H new ATOM 0 HA ARG A 228 54.918 -4.558 13.078 1.00 0.00 H new ATOM 0 HB2 ARG A 228 57.212 -2.850 14.023 1.00 0.00 H new ATOM 0 HB3 ARG A 228 55.595 -2.414 14.539 1.00 0.00 H new ATOM 0 HG2 ARG A 228 55.229 -4.551 15.580 1.00 0.00 H new ATOM 0 HG3 ARG A 228 56.609 -5.271 14.774 1.00 0.00 H new ATOM 0 HD2 ARG A 228 56.961 -4.830 17.217 1.00 0.00 H new ATOM 0 HD3 ARG A 228 58.169 -4.103 16.177 1.00 0.00 H new ATOM 0 HE ARG A 228 56.427 -2.027 16.471 1.00 0.00 H new ATOM 0 HH11 ARG A 228 57.893 -4.153 18.910 1.00 0.00 H new ATOM 0 HH12 ARG A 228 57.822 -2.899 20.153 1.00 0.00 H new ATOM 0 HH21 ARG A 228 56.385 -0.500 18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 228 56.985 -0.871 19.680 1.00 0.00 H new ATOM 1350 N LYS A 229 53.563 -2.653 12.279 1.00 0.00 N ATOM 1351 CA LYS A 229 52.635 -1.906 11.429 1.00 0.00 C ATOM 1352 C LYS A 229 52.461 -0.446 11.883 1.00 0.00 C ATOM 1353 O LYS A 229 51.743 -0.174 12.847 1.00 0.00 O ATOM 1354 CB LYS A 229 51.335 -2.717 11.447 1.00 0.00 C ATOM 1355 CG LYS A 229 50.368 -2.278 10.350 1.00 0.00 C ATOM 1356 CD LYS A 229 49.206 -3.272 10.322 1.00 0.00 C ATOM 1357 CE LYS A 229 48.221 -2.898 9.214 1.00 0.00 C ATOM 1358 NZ LYS A 229 47.064 -3.834 9.152 1.00 0.00 N ATOM 0 H LYS A 229 53.101 -3.151 13.040 1.00 0.00 H new ATOM 0 HA LYS A 229 53.010 -1.802 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 229 51.567 -3.775 11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 229 50.854 -2.608 12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 229 50.003 -1.270 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 229 50.872 -2.254 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 229 49.584 -4.281 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 229 48.697 -3.276 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 229 47.858 -1.884 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 229 48.738 -2.898 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 46.422 -3.543 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 47.407 -4.798 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 46.554 -3.816 10.058 1.00 0.00 H new ATOM 1372 N ILE A 230 53.099 0.514 11.199 1.00 0.00 N ATOM 1373 CA ILE A 230 52.830 1.943 11.388 1.00 0.00 C ATOM 1374 C ILE A 230 51.391 2.330 10.990 1.00 0.00 C ATOM 1375 O ILE A 230 50.791 1.745 10.085 1.00 0.00 O ATOM 1376 CB ILE A 230 53.944 2.843 10.767 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.595 3.578 9.458 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.307 2.138 10.610 1.00 0.00 C ATOM 1379 CD1 ILE A 230 53.490 2.737 8.188 1.00 0.00 C ATOM 0 H ILE A 230 53.816 0.320 10.500 1.00 0.00 H new ATOM 0 HA ILE A 230 52.879 2.144 12.458 1.00 0.00 H new ATOM 0 HB ILE A 230 54.022 3.614 11.533 1.00 0.00 H new ATOM 0 HG12 ILE A 230 52.644 4.091 9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 230 54.349 4.347 9.292 1.00 0.00 H new ATOM 0 HG21 ILE A 230 56.026 2.830 10.172 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.664 1.814 11.588 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.195 1.271 9.959 1.00 0.00 H new ATOM 0 HD11 ILE A 230 53.240 3.381 7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.444 2.245 7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 230 52.712 1.984 8.313 1.00 0.00 H new ATOM 1391 N PHE A 231 50.862 3.355 11.666 1.00 0.00 N ATOM 1392 CA PHE A 231 49.540 3.945 11.434 1.00 0.00 C ATOM 1393 C PHE A 231 49.644 5.463 11.601 1.00 0.00 C ATOM 1394 O PHE A 231 50.346 5.915 12.505 1.00 0.00 O ATOM 1395 CB PHE A 231 48.529 3.379 12.444 1.00 0.00 C ATOM 1396 CG PHE A 231 48.151 1.923 12.252 1.00 0.00 C ATOM 1397 CD1 PHE A 231 47.316 1.552 11.181 1.00 0.00 C ATOM 1398 CD2 PHE A 231 48.576 0.950 13.178 1.00 0.00 C ATOM 1399 CE1 PHE A 231 46.887 0.219 11.051 1.00 0.00 C ATOM 1400 CE2 PHE A 231 48.147 -0.382 13.047 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.291 -0.745 11.992 1.00 0.00 C ATOM 0 H PHE A 231 51.366 3.816 12.423 1.00 0.00 H new ATOM 0 HA PHE A 231 49.200 3.704 10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.939 3.499 13.447 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.621 3.980 12.397 1.00 0.00 H new ATOM 0 HD1 PHE A 231 47.005 2.292 10.458 1.00 0.00 H new ATOM 0 HD2 PHE A 231 49.232 1.228 13.989 1.00 0.00 H new ATOM 0 HE1 PHE A 231 46.247 -0.064 10.228 1.00 0.00 H new ATOM 0 HE2 PHE A 231 48.475 -1.127 13.757 1.00 0.00 H new ATOM 0 HZ PHE A 231 46.944 -1.764 11.904 1.00 0.00 H new ATOM 1411 N VAL A 232 48.964 6.245 10.761 1.00 0.00 N ATOM 1412 CA VAL A 232 49.181 7.701 10.663 1.00 0.00 C ATOM 1413 C VAL A 232 47.868 8.485 10.668 1.00 0.00 C ATOM 1414 O VAL A 232 46.936 8.166 9.930 1.00 0.00 O ATOM 1415 CB VAL A 232 49.998 8.093 9.409 1.00 0.00 C ATOM 1416 CG1 VAL A 232 50.419 9.577 9.473 1.00 0.00 C ATOM 1417 CG2 VAL A 232 51.255 7.223 9.232 1.00 0.00 C ATOM 0 H VAL A 232 48.246 5.893 10.127 1.00 0.00 H new ATOM 0 HA VAL A 232 49.754 7.966 11.552 1.00 0.00 H new ATOM 0 HB VAL A 232 49.345 7.927 8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 232 50.992 9.831 8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 232 49.530 10.206 9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 232 51.032 9.743 10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 232 51.793 7.538 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 232 51.901 7.335 10.103 1.00 0.00 H new ATOM 0 HG23 VAL A 232 50.963 6.178 9.130 1.00 0.00 H new ATOM 1427 N ARG A 233 47.840 9.544 11.483 1.00 0.00 N ATOM 1428 CA ARG A 233 46.803 10.580 11.519 1.00 0.00 C ATOM 1429 C ARG A 233 47.357 11.880 10.915 1.00 0.00 C ATOM 1430 O ARG A 233 48.542 12.184 11.049 1.00 0.00 O ATOM 1431 CB ARG A 233 46.324 10.811 12.966 1.00 0.00 C ATOM 1432 CG ARG A 233 45.449 9.691 13.560 1.00 0.00 C ATOM 1433 CD ARG A 233 46.201 8.406 13.937 1.00 0.00 C ATOM 1434 NE ARG A 233 45.319 7.476 14.666 1.00 0.00 N ATOM 1435 CZ ARG A 233 45.649 6.284 15.155 1.00 0.00 C ATOM 1436 NH1 ARG A 233 46.857 5.775 15.009 1.00 0.00 N ATOM 1437 NH2 ARG A 233 44.750 5.581 15.810 1.00 0.00 N ATOM 0 H ARG A 233 48.576 9.710 12.169 1.00 0.00 H new ATOM 0 HA ARG A 233 45.947 10.253 10.930 1.00 0.00 H new ATOM 0 HB2 ARG A 233 47.198 10.942 13.603 1.00 0.00 H new ATOM 0 HB3 ARG A 233 45.762 11.744 13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 233 44.949 10.075 14.449 1.00 0.00 H new ATOM 0 HG3 ARG A 233 44.670 9.440 12.840 1.00 0.00 H new ATOM 0 HD2 ARG A 233 46.580 7.924 13.036 1.00 0.00 H new ATOM 0 HD3 ARG A 233 47.065 8.653 14.554 1.00 0.00 H new ATOM 0 HE ARG A 233 44.356 7.778 14.810 1.00 0.00 H new ATOM 0 HH11 ARG A 233 47.574 6.299 14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 233 47.074 4.857 15.398 1.00 0.00 H new ATOM 0 HH21 ARG A 233 43.808 5.951 15.939 1.00 0.00 H new ATOM 0 HH22 ARG A 233 44.995 4.666 16.188 1.00 0.00 H new