USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 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 180:sc=-5.54e-05 USER MOD Single : A 167 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 169 THR OG1 : rot 148:sc= 1.79 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 160:sc= 0 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 68:sc= 0.175 USER MOD Single : A 182 SER OG : rot -40:sc= 0.709 USER MOD Single : A 183 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 186 LYS NZ :NH3+ -160:sc= 0.592 (180deg=0.391) USER MOD Single : A 202 MET CE :methyl 179:sc= 0 (180deg=-0.00221) 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= 0.787 K(o=0.79,f=-2.5) USER MOD Single : A 210 SER OG : rot 180:sc=-0.00155 USER MOD Single : A 219 GLN : amide:sc= 0.788 K(o=0.79,f=0) USER MOD Single : A 220 TYR OH : rot -82:sc= 0.202 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 50.775 18.241 8.583 1.00 0.00 N ATOM 314 CA SER A 162 51.407 17.322 9.539 1.00 0.00 C ATOM 315 C SER A 162 50.635 16.000 9.701 1.00 0.00 C ATOM 316 O SER A 162 49.460 15.885 9.341 1.00 0.00 O ATOM 317 CB SER A 162 51.586 18.039 10.889 1.00 0.00 C ATOM 318 OG SER A 162 52.359 17.266 11.793 1.00 0.00 O ATOM 0 HA SER A 162 52.383 17.043 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 162 52.069 19.003 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 162 50.608 18.241 11.326 1.00 0.00 H new ATOM 0 HG SER A 162 52.455 17.751 12.639 1.00 0.00 H new ATOM 324 N ILE A 163 51.315 14.988 10.246 1.00 0.00 N ATOM 325 CA ILE A 163 50.856 13.605 10.436 1.00 0.00 C ATOM 326 C ILE A 163 51.485 13.013 11.705 1.00 0.00 C ATOM 327 O ILE A 163 52.610 13.383 12.054 1.00 0.00 O ATOM 328 CB ILE A 163 51.204 12.727 9.206 1.00 0.00 C ATOM 329 CG1 ILE A 163 52.723 12.657 8.911 1.00 0.00 C ATOM 330 CG2 ILE A 163 50.468 13.200 7.941 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.142 11.340 8.261 1.00 0.00 C ATOM 0 H ILE A 163 52.266 15.120 10.590 1.00 0.00 H new ATOM 0 HA ILE A 163 49.772 13.617 10.546 1.00 0.00 H new ATOM 0 HB ILE A 163 50.868 11.725 9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 163 52.999 13.484 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.275 12.789 9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 163 50.739 12.559 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 163 49.392 13.148 8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 163 50.751 14.229 7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.217 11.350 8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 163 52.894 10.512 8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 163 52.614 11.217 7.315 1.00 0.00 H new ATOM 343 N PHE A 164 50.793 12.065 12.347 1.00 0.00 N ATOM 344 CA PHE A 164 51.233 11.321 13.535 1.00 0.00 C ATOM 345 C PHE A 164 51.239 9.813 13.249 1.00 0.00 C ATOM 346 O PHE A 164 50.261 9.294 12.721 1.00 0.00 O ATOM 347 CB PHE A 164 50.290 11.632 14.712 1.00 0.00 C ATOM 348 CG PHE A 164 50.440 10.665 15.877 1.00 0.00 C ATOM 349 CD1 PHE A 164 51.518 10.791 16.774 1.00 0.00 C ATOM 350 CD2 PHE A 164 49.549 9.581 16.011 1.00 0.00 C ATOM 351 CE1 PHE A 164 51.709 9.838 17.792 1.00 0.00 C ATOM 352 CE2 PHE A 164 49.737 8.630 17.029 1.00 0.00 C ATOM 353 CZ PHE A 164 50.818 8.757 17.918 1.00 0.00 C ATOM 0 H PHE A 164 49.864 11.781 12.037 1.00 0.00 H new ATOM 0 HA PHE A 164 52.247 11.627 13.793 1.00 0.00 H new ATOM 0 HB2 PHE A 164 50.482 12.646 15.064 1.00 0.00 H new ATOM 0 HB3 PHE A 164 49.259 11.607 14.359 1.00 0.00 H new ATOM 0 HD1 PHE A 164 52.201 11.622 16.681 1.00 0.00 H new ATOM 0 HD2 PHE A 164 48.718 9.481 15.328 1.00 0.00 H new ATOM 0 HE1 PHE A 164 52.539 9.937 18.476 1.00 0.00 H new ATOM 0 HE2 PHE A 164 49.051 7.802 17.128 1.00 0.00 H new ATOM 0 HZ PHE A 164 50.965 8.025 18.698 1.00 0.00 H new ATOM 363 N VAL A 165 52.303 9.108 13.642 1.00 0.00 N ATOM 364 CA VAL A 165 52.481 7.661 13.421 1.00 0.00 C ATOM 365 C VAL A 165 52.532 6.956 14.781 1.00 0.00 C ATOM 366 O VAL A 165 53.373 7.291 15.616 1.00 0.00 O ATOM 367 CB VAL A 165 53.751 7.340 12.593 1.00 0.00 C ATOM 368 CG1 VAL A 165 53.616 5.953 11.943 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.048 8.369 11.488 1.00 0.00 C ATOM 0 H VAL A 165 53.087 9.534 14.136 1.00 0.00 H new ATOM 0 HA VAL A 165 51.634 7.297 12.839 1.00 0.00 H new ATOM 0 HB VAL A 165 54.582 7.370 13.298 1.00 0.00 H new ATOM 0 HG11 VAL A 165 54.512 5.734 11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 165 53.493 5.198 12.719 1.00 0.00 H new ATOM 0 HG13 VAL A 165 52.747 5.942 11.286 1.00 0.00 H new ATOM 0 HG21 VAL A 165 54.951 8.077 10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 165 53.210 8.408 10.792 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.194 9.352 11.936 1.00 0.00 H new ATOM 379 N GLY A 166 51.609 6.010 15.006 1.00 0.00 N ATOM 380 CA GLY A 166 51.362 5.409 16.330 1.00 0.00 C ATOM 381 C GLY A 166 51.832 3.962 16.490 1.00 0.00 C ATOM 382 O GLY A 166 52.439 3.627 17.503 1.00 0.00 O ATOM 0 H GLY A 166 51.008 5.636 14.272 1.00 0.00 H new ATOM 0 HA2 GLY A 166 51.856 6.020 17.086 1.00 0.00 H new ATOM 0 HA3 GLY A 166 50.292 5.451 16.536 1.00 0.00 H new ATOM 386 N ASN A 167 51.559 3.100 15.502 1.00 0.00 N ATOM 387 CA ASN A 167 51.696 1.632 15.637 1.00 0.00 C ATOM 388 C ASN A 167 52.989 1.048 15.020 1.00 0.00 C ATOM 389 O ASN A 167 53.159 -0.171 14.945 1.00 0.00 O ATOM 390 CB ASN A 167 50.428 0.966 15.078 1.00 0.00 C ATOM 391 CG ASN A 167 49.179 1.352 15.872 1.00 0.00 C ATOM 392 OD1 ASN A 167 48.553 2.375 15.628 1.00 0.00 O ATOM 393 ND2 ASN A 167 48.784 0.545 16.842 1.00 0.00 N ATOM 0 H ASN A 167 51.235 3.396 14.581 1.00 0.00 H new ATOM 0 HA ASN A 167 51.797 1.407 16.699 1.00 0.00 H new ATOM 0 HB2 ASN A 167 50.297 1.254 14.035 1.00 0.00 H new ATOM 0 HB3 ASN A 167 50.549 -0.117 15.097 1.00 0.00 H new ATOM 0 HD21 ASN A 167 47.955 0.774 17.390 1.00 0.00 H new ATOM 0 HD22 ASN A 167 49.308 -0.307 17.042 1.00 0.00 H new ATOM 400 N LEU A 168 53.909 1.915 14.574 1.00 0.00 N ATOM 401 CA LEU A 168 55.280 1.562 14.167 1.00 0.00 C ATOM 402 C LEU A 168 56.104 0.981 15.348 1.00 0.00 C ATOM 403 O LEU A 168 55.686 1.068 16.506 1.00 0.00 O ATOM 404 CB LEU A 168 55.959 2.816 13.555 1.00 0.00 C ATOM 405 CG LEU A 168 56.407 3.952 14.506 1.00 0.00 C ATOM 406 CD1 LEU A 168 57.065 5.055 13.664 1.00 0.00 C ATOM 407 CD2 LEU A 168 55.248 4.562 15.309 1.00 0.00 C ATOM 0 H LEU A 168 53.715 2.912 14.483 1.00 0.00 H new ATOM 0 HA LEU A 168 55.236 0.774 13.415 1.00 0.00 H new ATOM 0 HB2 LEU A 168 56.837 2.481 13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 168 55.269 3.245 12.828 1.00 0.00 H new ATOM 0 HG LEU A 168 57.101 3.522 15.228 1.00 0.00 H new ATOM 0 HD11 LEU A 168 57.388 5.866 14.316 1.00 0.00 H new ATOM 0 HD12 LEU A 168 57.928 4.646 13.139 1.00 0.00 H new ATOM 0 HD13 LEU A 168 56.346 5.437 12.939 1.00 0.00 H new ATOM 0 HD21 LEU A 168 55.630 5.352 15.956 1.00 0.00 H new ATOM 0 HD22 LEU A 168 54.510 4.979 14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 168 54.781 3.788 15.918 1.00 0.00 H new ATOM 419 N THR A 169 57.286 0.414 15.061 1.00 0.00 N ATOM 420 CA THR A 169 58.205 -0.148 16.075 1.00 0.00 C ATOM 421 C THR A 169 58.739 0.919 17.029 1.00 0.00 C ATOM 422 O THR A 169 59.122 2.017 16.628 1.00 0.00 O ATOM 423 CB THR A 169 59.311 -0.960 15.389 1.00 0.00 C ATOM 424 OG1 THR A 169 58.738 -2.215 15.136 1.00 0.00 O ATOM 425 CG2 THR A 169 60.574 -1.212 16.213 1.00 0.00 C ATOM 0 H THR A 169 57.639 0.330 14.108 1.00 0.00 H new ATOM 0 HA THR A 169 57.644 -0.834 16.710 1.00 0.00 H new ATOM 0 HB THR A 169 59.638 -0.388 14.520 1.00 0.00 H new ATOM 0 HG1 THR A 169 59.114 -2.586 14.310 1.00 0.00 H new ATOM 0 HG21 THR A 169 61.282 -1.795 15.624 1.00 0.00 H new ATOM 0 HG22 THR A 169 61.027 -0.259 16.486 1.00 0.00 H new ATOM 0 HG23 THR A 169 60.315 -1.762 17.117 1.00 0.00 H new ATOM 433 N TYR A 170 58.801 0.549 18.310 1.00 0.00 N ATOM 434 CA TYR A 170 59.059 1.427 19.463 1.00 0.00 C ATOM 435 C TYR A 170 60.501 1.978 19.563 1.00 0.00 C ATOM 436 O TYR A 170 60.824 2.736 20.479 1.00 0.00 O ATOM 437 CB TYR A 170 58.659 0.672 20.741 1.00 0.00 C ATOM 438 CG TYR A 170 57.280 0.033 20.670 1.00 0.00 C ATOM 439 CD1 TYR A 170 56.128 0.842 20.694 1.00 0.00 C ATOM 440 CD2 TYR A 170 57.154 -1.363 20.515 1.00 0.00 C ATOM 441 CE1 TYR A 170 54.851 0.265 20.562 1.00 0.00 C ATOM 442 CE2 TYR A 170 55.879 -1.948 20.384 1.00 0.00 C ATOM 443 CZ TYR A 170 54.723 -1.135 20.402 1.00 0.00 C ATOM 444 OH TYR A 170 53.493 -1.702 20.265 1.00 0.00 O ATOM 0 H TYR A 170 58.666 -0.422 18.590 1.00 0.00 H new ATOM 0 HA TYR A 170 58.452 2.321 19.325 1.00 0.00 H new ATOM 0 HB2 TYR A 170 59.399 -0.103 20.940 1.00 0.00 H new ATOM 0 HB3 TYR A 170 58.686 1.363 21.584 1.00 0.00 H new ATOM 0 HD1 TYR A 170 56.225 1.911 20.814 1.00 0.00 H new ATOM 0 HD2 TYR A 170 58.037 -1.985 20.497 1.00 0.00 H new ATOM 0 HE1 TYR A 170 53.970 0.890 20.583 1.00 0.00 H new ATOM 0 HE2 TYR A 170 55.785 -3.018 20.270 1.00 0.00 H new ATOM 0 HH TYR A 170 53.589 -2.672 20.164 1.00 0.00 H new ATOM 454 N ASP A 171 61.354 1.610 18.607 1.00 0.00 N ATOM 455 CA ASP A 171 62.749 2.037 18.449 1.00 0.00 C ATOM 456 C ASP A 171 62.963 2.928 17.202 1.00 0.00 C ATOM 457 O ASP A 171 64.091 3.329 16.919 1.00 0.00 O ATOM 458 CB ASP A 171 63.650 0.790 18.407 1.00 0.00 C ATOM 459 CG ASP A 171 63.596 -0.017 19.715 1.00 0.00 C ATOM 460 OD1 ASP A 171 64.242 0.403 20.706 1.00 0.00 O ATOM 461 OD2 ASP A 171 62.931 -1.082 19.741 1.00 0.00 O ATOM 0 H ASP A 171 61.072 0.962 17.872 1.00 0.00 H new ATOM 0 HA ASP A 171 63.017 2.657 19.305 1.00 0.00 H new ATOM 0 HB2 ASP A 171 63.345 0.153 17.577 1.00 0.00 H new ATOM 0 HB3 ASP A 171 64.679 1.095 18.213 1.00 0.00 H new ATOM 466 N SER A 172 61.906 3.219 16.432 1.00 0.00 N ATOM 467 CA SER A 172 61.984 4.018 15.197 1.00 0.00 C ATOM 468 C SER A 172 62.478 5.465 15.422 1.00 0.00 C ATOM 469 O SER A 172 62.345 6.025 16.516 1.00 0.00 O ATOM 470 CB SER A 172 60.628 4.006 14.479 1.00 0.00 C ATOM 471 OG SER A 172 60.774 4.525 13.167 1.00 0.00 O ATOM 0 H SER A 172 60.961 2.904 16.650 1.00 0.00 H new ATOM 0 HA SER A 172 62.738 3.546 14.567 1.00 0.00 H new ATOM 0 HB2 SER A 172 60.238 2.989 14.436 1.00 0.00 H new ATOM 0 HB3 SER A 172 59.905 4.601 15.037 1.00 0.00 H new ATOM 0 HG SER A 172 60.021 4.231 12.613 1.00 0.00 H new ATOM 477 N THR A 173 63.062 6.077 14.381 1.00 0.00 N ATOM 478 CA THR A 173 63.805 7.353 14.441 1.00 0.00 C ATOM 479 C THR A 173 63.323 8.325 13.351 1.00 0.00 C ATOM 480 O THR A 173 62.830 7.872 12.314 1.00 0.00 O ATOM 481 CB THR A 173 65.323 7.116 14.334 1.00 0.00 C ATOM 482 OG1 THR A 173 65.634 6.390 13.168 1.00 0.00 O ATOM 483 CG2 THR A 173 65.881 6.368 15.546 1.00 0.00 C ATOM 0 H THR A 173 63.031 5.687 13.439 1.00 0.00 H new ATOM 0 HA THR A 173 63.604 7.809 15.410 1.00 0.00 H new ATOM 0 HB THR A 173 65.787 8.102 14.295 1.00 0.00 H new ATOM 0 HG1 THR A 173 66.603 6.251 13.118 1.00 0.00 H new ATOM 0 HG21 THR A 173 66.955 6.225 15.423 1.00 0.00 H new ATOM 0 HG22 THR A 173 65.693 6.948 16.450 1.00 0.00 H new ATOM 0 HG23 THR A 173 65.393 5.397 15.630 1.00 0.00 H new ATOM 491 N PRO A 174 63.434 9.654 13.569 1.00 0.00 N ATOM 492 CA PRO A 174 62.839 10.652 12.685 1.00 0.00 C ATOM 493 C PRO A 174 63.425 10.632 11.270 1.00 0.00 C ATOM 494 O PRO A 174 62.655 10.680 10.319 1.00 0.00 O ATOM 495 CB PRO A 174 63.037 12.005 13.378 1.00 0.00 C ATOM 496 CG PRO A 174 64.197 11.772 14.343 1.00 0.00 C ATOM 497 CD PRO A 174 64.017 10.309 14.735 1.00 0.00 C ATOM 0 HA PRO A 174 61.781 10.438 12.531 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.271 12.790 12.658 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.136 12.316 13.907 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.162 11.948 13.867 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.143 12.433 15.208 1.00 0.00 H new ATOM 0 HD2 PRO A 174 64.972 9.855 15.002 1.00 0.00 H new ATOM 0 HD3 PRO A 174 63.365 10.214 15.603 1.00 0.00 H new ATOM 505 N GLU A 175 64.748 10.508 11.105 1.00 0.00 N ATOM 506 CA GLU A 175 65.372 10.521 9.772 1.00 0.00 C ATOM 507 C GLU A 175 65.009 9.282 8.930 1.00 0.00 C ATOM 508 O GLU A 175 64.935 9.365 7.700 1.00 0.00 O ATOM 509 CB GLU A 175 66.899 10.654 9.883 1.00 0.00 C ATOM 510 CG GLU A 175 67.322 12.003 10.479 1.00 0.00 C ATOM 511 CD GLU A 175 68.847 12.171 10.433 1.00 0.00 C ATOM 512 OE1 GLU A 175 69.537 11.752 11.393 1.00 0.00 O ATOM 513 OE2 GLU A 175 69.368 12.732 9.439 1.00 0.00 O ATOM 0 H GLU A 175 65.408 10.398 11.875 1.00 0.00 H new ATOM 0 HA GLU A 175 64.971 11.392 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.288 9.847 10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.345 10.540 8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 175 66.846 12.814 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 175 66.976 12.074 11.510 1.00 0.00 H new ATOM 520 N ASP A 176 64.719 8.150 9.580 1.00 0.00 N ATOM 521 CA ASP A 176 64.249 6.928 8.925 1.00 0.00 C ATOM 522 C ASP A 176 62.788 7.052 8.445 1.00 0.00 C ATOM 523 O ASP A 176 62.440 6.484 7.406 1.00 0.00 O ATOM 524 CB ASP A 176 64.441 5.744 9.884 1.00 0.00 C ATOM 525 CG ASP A 176 64.228 4.383 9.203 1.00 0.00 C ATOM 526 OD1 ASP A 176 64.917 4.097 8.192 1.00 0.00 O ATOM 527 OD2 ASP A 176 63.421 3.577 9.723 1.00 0.00 O ATOM 0 H ASP A 176 64.806 8.057 10.592 1.00 0.00 H new ATOM 0 HA ASP A 176 64.841 6.758 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 176 65.447 5.782 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.745 5.841 10.717 1.00 0.00 H new ATOM 532 N LEU A 177 61.954 7.850 9.135 1.00 0.00 N ATOM 533 CA LEU A 177 60.669 8.307 8.595 1.00 0.00 C ATOM 534 C LEU A 177 60.814 9.400 7.526 1.00 0.00 C ATOM 535 O LEU A 177 60.024 9.396 6.584 1.00 0.00 O ATOM 536 CB LEU A 177 59.700 8.758 9.706 1.00 0.00 C ATOM 537 CG LEU A 177 59.096 7.645 10.589 1.00 0.00 C ATOM 538 CD1 LEU A 177 57.892 8.238 11.340 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.615 6.408 9.810 1.00 0.00 C ATOM 0 H LEU A 177 62.153 8.192 10.075 1.00 0.00 H new ATOM 0 HA LEU A 177 60.239 7.436 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 177 60.227 9.459 10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 177 58.881 9.307 9.242 1.00 0.00 H new ATOM 0 HG LEU A 177 59.890 7.304 11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 177 57.445 7.472 11.973 1.00 0.00 H new ATOM 0 HD12 LEU A 177 58.224 9.072 11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 177 57.153 8.591 10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 177 58.205 5.676 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.844 6.703 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 177 59.455 5.967 9.273 1.00 0.00 H new ATOM 551 N THR A 178 61.802 10.304 7.616 1.00 0.00 N ATOM 552 CA THR A 178 62.035 11.345 6.598 1.00 0.00 C ATOM 553 C THR A 178 62.375 10.718 5.255 1.00 0.00 C ATOM 554 O THR A 178 61.729 11.045 4.262 1.00 0.00 O ATOM 555 CB THR A 178 63.125 12.331 7.032 1.00 0.00 C ATOM 556 OG1 THR A 178 62.685 12.990 8.192 1.00 0.00 O ATOM 557 CG2 THR A 178 63.373 13.408 5.976 1.00 0.00 C ATOM 0 H THR A 178 62.461 10.336 8.394 1.00 0.00 H new ATOM 0 HA THR A 178 61.110 11.911 6.490 1.00 0.00 H new ATOM 0 HB THR A 178 64.044 11.766 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 178 62.652 12.354 8.937 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.153 14.086 6.324 1.00 0.00 H new ATOM 0 HG22 THR A 178 63.689 12.938 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 178 62.454 13.969 5.806 1.00 0.00 H new ATOM 565 N GLU A 179 63.336 9.793 5.220 1.00 0.00 N ATOM 566 CA GLU A 179 63.746 9.108 3.986 1.00 0.00 C ATOM 567 C GLU A 179 62.603 8.283 3.355 1.00 0.00 C ATOM 568 O GLU A 179 62.559 8.107 2.134 1.00 0.00 O ATOM 569 CB GLU A 179 64.975 8.236 4.293 1.00 0.00 C ATOM 570 CG GLU A 179 65.642 7.681 3.029 1.00 0.00 C ATOM 571 CD GLU A 179 66.947 6.950 3.370 1.00 0.00 C ATOM 572 OE1 GLU A 179 66.911 5.721 3.618 1.00 0.00 O ATOM 573 OE2 GLU A 179 68.023 7.595 3.379 1.00 0.00 O ATOM 0 H GLU A 179 63.855 9.495 6.046 1.00 0.00 H new ATOM 0 HA GLU A 179 64.006 9.859 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.702 8.825 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.675 7.407 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 179 64.960 6.997 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 179 65.848 8.496 2.335 1.00 0.00 H new ATOM 580 N PHE A 180 61.647 7.826 4.170 1.00 0.00 N ATOM 581 CA PHE A 180 60.454 7.091 3.752 1.00 0.00 C ATOM 582 C PHE A 180 59.380 8.036 3.177 1.00 0.00 C ATOM 583 O PHE A 180 59.029 7.921 2.001 1.00 0.00 O ATOM 584 CB PHE A 180 59.978 6.289 4.974 1.00 0.00 C ATOM 585 CG PHE A 180 58.687 5.513 4.828 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.689 4.228 4.253 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.496 6.033 5.367 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.516 3.451 4.255 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.319 5.267 5.352 1.00 0.00 C ATOM 590 CZ PHE A 180 56.332 3.970 4.809 1.00 0.00 C ATOM 0 H PHE A 180 61.687 7.965 5.180 1.00 0.00 H new ATOM 0 HA PHE A 180 60.674 6.405 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.766 5.587 5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 180 59.865 6.980 5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.593 3.838 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.487 7.025 5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 180 57.525 2.457 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.404 5.674 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.433 3.372 4.817 1.00 0.00 H new ATOM 600 N PHE A 181 58.897 8.998 3.974 1.00 0.00 N ATOM 601 CA PHE A 181 57.808 9.917 3.618 1.00 0.00 C ATOM 602 C PHE A 181 58.181 10.971 2.567 1.00 0.00 C ATOM 603 O PHE A 181 57.350 11.348 1.742 1.00 0.00 O ATOM 604 CB PHE A 181 57.283 10.602 4.895 1.00 0.00 C ATOM 605 CG PHE A 181 56.250 9.809 5.678 1.00 0.00 C ATOM 606 CD1 PHE A 181 54.957 9.626 5.150 1.00 0.00 C ATOM 607 CD2 PHE A 181 56.558 9.296 6.951 1.00 0.00 C ATOM 608 CE1 PHE A 181 53.981 8.936 5.891 1.00 0.00 C ATOM 609 CE2 PHE A 181 55.586 8.586 7.682 1.00 0.00 C ATOM 610 CZ PHE A 181 54.294 8.406 7.152 1.00 0.00 C ATOM 0 H PHE A 181 59.264 9.163 4.911 1.00 0.00 H new ATOM 0 HA PHE A 181 57.033 9.308 3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.129 10.811 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 181 56.848 11.563 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 181 54.714 10.017 4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 181 57.542 9.447 7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 181 52.987 8.814 5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 181 55.832 8.179 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.548 7.863 7.713 1.00 0.00 H new ATOM 620 N SER A 182 59.423 11.455 2.562 1.00 0.00 N ATOM 621 CA SER A 182 59.847 12.552 1.672 1.00 0.00 C ATOM 622 C SER A 182 60.004 12.142 0.192 1.00 0.00 C ATOM 623 O SER A 182 60.264 12.995 -0.656 1.00 0.00 O ATOM 624 CB SER A 182 61.099 13.255 2.224 1.00 0.00 C ATOM 625 OG SER A 182 61.173 14.595 1.754 1.00 0.00 O ATOM 0 H SER A 182 60.165 11.105 3.168 1.00 0.00 H new ATOM 0 HA SER A 182 59.029 13.272 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 182 61.075 13.248 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 182 61.992 12.708 1.921 1.00 0.00 H new ATOM 0 HG SER A 182 60.903 14.627 0.813 1.00 0.00 H new ATOM 631 N GLN A 183 59.776 10.865 -0.149 1.00 0.00 N ATOM 632 CA GLN A 183 59.678 10.388 -1.537 1.00 0.00 C ATOM 633 C GLN A 183 58.469 10.988 -2.295 1.00 0.00 C ATOM 634 O GLN A 183 58.440 10.975 -3.527 1.00 0.00 O ATOM 635 CB GLN A 183 59.623 8.852 -1.545 1.00 0.00 C ATOM 636 CG GLN A 183 61.026 8.282 -1.292 1.00 0.00 C ATOM 637 CD GLN A 183 61.014 6.781 -1.022 1.00 0.00 C ATOM 638 OE1 GLN A 183 60.539 5.964 -1.804 1.00 0.00 O ATOM 639 NE2 GLN A 183 61.559 6.373 0.101 1.00 0.00 N ATOM 0 H GLN A 183 59.653 10.124 0.541 1.00 0.00 H new ATOM 0 HA GLN A 183 60.567 10.729 -2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 183 58.933 8.499 -0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 183 59.243 8.497 -2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 183 61.657 8.486 -2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 183 61.474 8.796 -0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 183 61.954 7.051 0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 183 61.587 5.378 0.322 1.00 0.00 H new ATOM 648 N ILE A 184 57.483 11.539 -1.572 1.00 0.00 N ATOM 649 CA ILE A 184 56.256 12.155 -2.119 1.00 0.00 C ATOM 650 C ILE A 184 56.466 13.614 -2.585 1.00 0.00 C ATOM 651 O ILE A 184 55.737 14.097 -3.456 1.00 0.00 O ATOM 652 CB ILE A 184 55.153 12.063 -1.029 1.00 0.00 C ATOM 653 CG1 ILE A 184 54.877 10.609 -0.578 1.00 0.00 C ATOM 654 CG2 ILE A 184 53.834 12.744 -1.432 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.236 9.686 -1.623 1.00 0.00 C ATOM 0 H ILE A 184 57.515 11.571 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 184 55.958 11.611 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 184 55.563 12.614 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 184 55.820 10.164 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.228 10.639 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.110 12.641 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.015 13.802 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 184 53.442 12.273 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.091 8.695 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.272 10.094 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 184 54.889 9.612 -2.493 1.00 0.00 H new ATOM 667 N GLY A 185 57.454 14.320 -2.022 1.00 0.00 N ATOM 668 CA GLY A 185 57.641 15.769 -2.187 1.00 0.00 C ATOM 669 C GLY A 185 58.784 16.308 -1.332 1.00 0.00 C ATOM 670 O GLY A 185 59.951 16.107 -1.672 1.00 0.00 O ATOM 0 H GLY A 185 58.162 13.892 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 185 57.840 15.990 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 185 56.718 16.284 -1.922 1.00 0.00 H new ATOM 674 N LYS A 186 58.460 16.975 -0.216 1.00 0.00 N ATOM 675 CA LYS A 186 59.454 17.470 0.754 1.00 0.00 C ATOM 676 C LYS A 186 58.919 17.463 2.205 1.00 0.00 C ATOM 677 O LYS A 186 58.082 18.286 2.581 1.00 0.00 O ATOM 678 CB LYS A 186 59.985 18.844 0.273 1.00 0.00 C ATOM 679 CG LYS A 186 61.350 19.253 0.867 1.00 0.00 C ATOM 680 CD LYS A 186 61.239 20.155 2.108 1.00 0.00 C ATOM 681 CE LYS A 186 62.606 20.604 2.661 1.00 0.00 C ATOM 682 NZ LYS A 186 63.432 19.483 3.201 1.00 0.00 N ATOM 0 H LYS A 186 57.497 17.189 0.043 1.00 0.00 H new ATOM 0 HA LYS A 186 60.302 16.786 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 186 60.068 18.826 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 186 59.251 19.610 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 186 61.906 18.353 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 186 61.928 19.772 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 186 60.650 21.037 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 186 60.697 19.622 2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 186 63.162 21.104 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 186 62.445 21.338 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 64.155 19.863 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 62.821 18.820 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 63.895 18.983 2.415 1.00 0.00 H new ATOM 696 N VAL A 187 59.446 16.561 3.043 1.00 0.00 N ATOM 697 CA VAL A 187 59.306 16.631 4.516 1.00 0.00 C ATOM 698 C VAL A 187 60.176 17.798 4.997 1.00 0.00 C ATOM 699 O VAL A 187 61.347 17.865 4.630 1.00 0.00 O ATOM 700 CB VAL A 187 59.765 15.319 5.205 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.002 15.454 6.720 1.00 0.00 C ATOM 702 CG2 VAL A 187 58.733 14.207 4.988 1.00 0.00 C ATOM 0 H VAL A 187 59.985 15.756 2.724 1.00 0.00 H new ATOM 0 HA VAL A 187 58.257 16.775 4.775 1.00 0.00 H new ATOM 0 HB VAL A 187 60.720 15.076 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 187 60.320 14.494 7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 187 60.776 16.199 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 187 59.078 15.765 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.073 13.295 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 187 57.776 14.512 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 187 58.616 14.023 3.920 1.00 0.00 H new ATOM 712 N VAL A 188 59.629 18.703 5.812 1.00 0.00 N ATOM 713 CA VAL A 188 60.417 19.789 6.442 1.00 0.00 C ATOM 714 C VAL A 188 60.995 19.367 7.799 1.00 0.00 C ATOM 715 O VAL A 188 62.116 19.760 8.118 1.00 0.00 O ATOM 716 CB VAL A 188 59.668 21.146 6.553 1.00 0.00 C ATOM 717 CG1 VAL A 188 60.055 22.035 5.363 1.00 0.00 C ATOM 718 CG2 VAL A 188 58.137 21.034 6.632 1.00 0.00 C ATOM 0 H VAL A 188 58.639 18.713 6.058 1.00 0.00 H new ATOM 0 HA VAL A 188 61.243 19.963 5.753 1.00 0.00 H new ATOM 0 HB VAL A 188 59.980 21.584 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 188 59.532 22.989 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 188 61.131 22.209 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 188 59.777 21.539 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 188 57.703 22.031 6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 188 57.761 20.541 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 188 57.860 20.450 7.510 1.00 0.00 H new ATOM 728 N ARG A 189 60.276 18.521 8.554 1.00 0.00 N ATOM 729 CA ARG A 189 60.692 17.983 9.859 1.00 0.00 C ATOM 730 C ARG A 189 60.000 16.643 10.139 1.00 0.00 C ATOM 731 O ARG A 189 58.788 16.547 9.986 1.00 0.00 O ATOM 732 CB ARG A 189 60.313 18.962 10.993 1.00 0.00 C ATOM 733 CG ARG A 189 61.130 20.262 11.025 1.00 0.00 C ATOM 734 CD ARG A 189 60.851 21.073 12.295 1.00 0.00 C ATOM 735 NE ARG A 189 61.682 22.291 12.332 1.00 0.00 N ATOM 736 CZ ARG A 189 61.831 23.114 13.365 1.00 0.00 C ATOM 737 NH1 ARG A 189 61.188 22.936 14.502 1.00 0.00 N ATOM 738 NH2 ARG A 189 62.644 24.144 13.265 1.00 0.00 N ATOM 0 H ARG A 189 59.359 18.182 8.263 1.00 0.00 H new ATOM 0 HA ARG A 189 61.773 17.844 9.826 1.00 0.00 H new ATOM 0 HB2 ARG A 189 59.257 19.216 10.896 1.00 0.00 H new ATOM 0 HB3 ARG A 189 60.432 18.452 11.949 1.00 0.00 H new ATOM 0 HG2 ARG A 189 62.193 20.026 10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 189 60.891 20.864 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 189 59.796 21.346 12.333 1.00 0.00 H new ATOM 0 HD3 ARG A 189 61.054 20.462 13.174 1.00 0.00 H new ATOM 0 HE ARG A 189 62.193 22.525 11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 189 60.552 22.146 14.610 1.00 0.00 H new ATOM 0 HH12 ARG A 189 61.327 23.588 15.274 1.00 0.00 H new ATOM 0 HH21 ARG A 189 63.156 24.307 12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 189 62.762 24.779 14.054 1.00 0.00 H new ATOM 752 N ALA A 190 60.741 15.645 10.614 1.00 0.00 N ATOM 753 CA ALA A 190 60.217 14.543 11.432 1.00 0.00 C ATOM 754 C ALA A 190 60.716 14.662 12.886 1.00 0.00 C ATOM 755 O ALA A 190 61.780 15.235 13.139 1.00 0.00 O ATOM 756 CB ALA A 190 60.630 13.212 10.798 1.00 0.00 C ATOM 0 H ALA A 190 61.744 15.574 10.440 1.00 0.00 H new ATOM 0 HA ALA A 190 59.129 14.591 11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.245 12.388 11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.222 13.147 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 190 61.717 13.152 10.754 1.00 0.00 H new ATOM 762 N ASP A 191 59.959 14.111 13.839 1.00 0.00 N ATOM 763 CA ASP A 191 60.247 14.171 15.279 1.00 0.00 C ATOM 764 C ASP A 191 59.641 12.966 16.020 1.00 0.00 C ATOM 765 O ASP A 191 58.435 12.731 15.946 1.00 0.00 O ATOM 766 CB ASP A 191 59.712 15.493 15.852 1.00 0.00 C ATOM 767 CG ASP A 191 60.022 15.633 17.350 1.00 0.00 C ATOM 768 OD1 ASP A 191 61.223 15.636 17.712 1.00 0.00 O ATOM 769 OD2 ASP A 191 59.070 15.756 18.159 1.00 0.00 O ATOM 0 H ASP A 191 59.105 13.596 13.627 1.00 0.00 H new ATOM 0 HA ASP A 191 61.327 14.129 15.423 1.00 0.00 H new ATOM 0 HB2 ASP A 191 60.154 16.329 15.310 1.00 0.00 H new ATOM 0 HB3 ASP A 191 58.634 15.546 15.697 1.00 0.00 H new ATOM 774 N ILE A 192 60.479 12.195 16.731 1.00 0.00 N ATOM 775 CA ILE A 192 60.064 10.952 17.423 1.00 0.00 C ATOM 776 C ILE A 192 60.790 10.738 18.763 1.00 0.00 C ATOM 777 O ILE A 192 60.135 10.496 19.774 1.00 0.00 O ATOM 778 CB ILE A 192 60.223 9.691 16.526 1.00 0.00 C ATOM 779 CG1 ILE A 192 59.788 9.891 15.057 1.00 0.00 C ATOM 780 CG2 ILE A 192 59.430 8.530 17.150 1.00 0.00 C ATOM 781 CD1 ILE A 192 59.846 8.614 14.210 1.00 0.00 C ATOM 0 H ILE A 192 61.469 12.412 16.846 1.00 0.00 H new ATOM 0 HA ILE A 192 59.004 11.090 17.638 1.00 0.00 H new ATOM 0 HB ILE A 192 61.290 9.471 16.489 1.00 0.00 H new ATOM 0 HG12 ILE A 192 58.770 10.280 15.040 1.00 0.00 H new ATOM 0 HG13 ILE A 192 60.426 10.647 14.600 1.00 0.00 H new ATOM 0 HG21 ILE A 192 59.536 7.641 16.528 1.00 0.00 H new ATOM 0 HG22 ILE A 192 59.815 8.322 18.148 1.00 0.00 H new ATOM 0 HG23 ILE A 192 58.377 8.803 17.217 1.00 0.00 H new ATOM 0 HD11 ILE A 192 59.526 8.838 13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 192 60.868 8.234 14.194 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.186 7.861 14.641 1.00 0.00 H new ATOM 933 N MET A 202 57.091 6.687 19.037 1.00 0.00 N ATOM 934 CA MET A 202 55.814 7.274 18.580 1.00 0.00 C ATOM 935 C MET A 202 55.989 8.784 18.346 1.00 0.00 C ATOM 936 O MET A 202 56.518 9.483 19.214 1.00 0.00 O ATOM 937 CB MET A 202 54.722 7.006 19.631 1.00 0.00 C ATOM 938 CG MET A 202 54.465 5.505 19.834 1.00 0.00 C ATOM 939 SD MET A 202 53.377 5.084 21.222 1.00 0.00 S ATOM 940 CE MET A 202 51.795 5.690 20.582 1.00 0.00 C ATOM 0 HA MET A 202 55.513 6.814 17.639 1.00 0.00 H new ATOM 0 HB2 MET A 202 55.017 7.454 20.580 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.797 7.493 19.323 1.00 0.00 H new ATOM 0 HG2 MET A 202 54.032 5.101 18.919 1.00 0.00 H new ATOM 0 HG3 MET A 202 55.423 5.006 19.981 1.00 0.00 H new ATOM 0 HE1 MET A 202 51.008 5.492 21.310 1.00 0.00 H new ATOM 0 HE2 MET A 202 51.862 6.763 20.403 1.00 0.00 H new ATOM 0 HE3 MET A 202 51.561 5.180 19.647 1.00 0.00 H new ATOM 950 N GLY A 203 55.585 9.293 17.173 1.00 0.00 N ATOM 951 CA GLY A 203 55.915 10.667 16.754 1.00 0.00 C ATOM 952 C GLY A 203 55.261 11.152 15.461 1.00 0.00 C ATOM 953 O GLY A 203 54.300 10.549 14.976 1.00 0.00 O ATOM 0 H GLY A 203 55.028 8.774 16.495 1.00 0.00 H new ATOM 0 HA2 GLY A 203 55.633 11.348 17.557 1.00 0.00 H new ATOM 0 HA3 GLY A 203 56.997 10.740 16.640 1.00 0.00 H new ATOM 957 N THR A 204 55.772 12.266 14.922 1.00 0.00 N ATOM 958 CA THR A 204 55.131 13.096 13.882 1.00 0.00 C ATOM 959 C THR A 204 56.064 13.464 12.735 1.00 0.00 C ATOM 960 O THR A 204 57.283 13.437 12.886 1.00 0.00 O ATOM 961 CB THR A 204 54.543 14.389 14.483 1.00 0.00 C ATOM 962 OG1 THR A 204 55.446 14.976 15.397 1.00 0.00 O ATOM 963 CG2 THR A 204 53.233 14.115 15.210 1.00 0.00 C ATOM 0 H THR A 204 56.680 12.633 15.207 1.00 0.00 H new ATOM 0 HA THR A 204 54.334 12.475 13.473 1.00 0.00 H new ATOM 0 HB THR A 204 54.362 15.071 13.652 1.00 0.00 H new ATOM 0 HG1 THR A 204 55.053 15.795 15.764 1.00 0.00 H new ATOM 0 HG21 THR A 204 52.844 15.046 15.622 1.00 0.00 H new ATOM 0 HG22 THR A 204 52.509 13.698 14.510 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.407 13.405 16.019 1.00 0.00 H new ATOM 971 N VAL A 205 55.472 13.856 11.605 1.00 0.00 N ATOM 972 CA VAL A 205 56.182 14.324 10.395 1.00 0.00 C ATOM 973 C VAL A 205 55.412 15.485 9.743 1.00 0.00 C ATOM 974 O VAL A 205 54.183 15.476 9.732 1.00 0.00 O ATOM 975 CB VAL A 205 56.421 13.185 9.368 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.395 13.613 8.263 1.00 0.00 C ATOM 977 CG2 VAL A 205 56.951 11.878 9.990 1.00 0.00 C ATOM 0 H VAL A 205 54.458 13.860 11.495 1.00 0.00 H new ATOM 0 HA VAL A 205 57.164 14.675 10.713 1.00 0.00 H new ATOM 0 HB VAL A 205 55.432 12.987 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.537 12.789 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 205 56.988 14.473 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.354 13.881 8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.091 11.133 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 205 57.904 12.070 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.233 11.505 10.721 1.00 0.00 H new ATOM 987 N GLU A 206 56.131 16.480 9.216 1.00 0.00 N ATOM 988 CA GLU A 206 55.622 17.756 8.698 1.00 0.00 C ATOM 989 C GLU A 206 56.086 17.998 7.252 1.00 0.00 C ATOM 990 O GLU A 206 57.262 17.821 6.925 1.00 0.00 O ATOM 991 CB GLU A 206 56.108 18.916 9.587 1.00 0.00 C ATOM 992 CG GLU A 206 55.578 18.842 11.025 1.00 0.00 C ATOM 993 CD GLU A 206 56.040 20.052 11.851 1.00 0.00 C ATOM 994 OE1 GLU A 206 55.439 21.144 11.718 1.00 0.00 O ATOM 995 OE2 GLU A 206 57.000 19.918 12.648 1.00 0.00 O ATOM 0 H GLU A 206 57.146 16.414 9.134 1.00 0.00 H new ATOM 0 HA GLU A 206 54.533 17.709 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 206 57.198 18.916 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 206 55.798 19.861 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 206 54.489 18.802 11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 206 55.925 17.923 11.496 1.00 0.00 H new ATOM 1002 N PHE A 207 55.162 18.436 6.391 1.00 0.00 N ATOM 1003 CA PHE A 207 55.316 18.535 4.931 1.00 0.00 C ATOM 1004 C PHE A 207 55.180 19.985 4.437 1.00 0.00 C ATOM 1005 O PHE A 207 54.429 20.777 5.013 1.00 0.00 O ATOM 1006 CB PHE A 207 54.220 17.685 4.257 1.00 0.00 C ATOM 1007 CG PHE A 207 54.474 16.191 4.185 1.00 0.00 C ATOM 1008 CD1 PHE A 207 54.543 15.415 5.360 1.00 0.00 C ATOM 1009 CD2 PHE A 207 54.586 15.560 2.928 1.00 0.00 C ATOM 1010 CE1 PHE A 207 54.724 14.025 5.276 1.00 0.00 C ATOM 1011 CE2 PHE A 207 54.758 14.170 2.850 1.00 0.00 C ATOM 1012 CZ PHE A 207 54.803 13.401 4.021 1.00 0.00 C ATOM 0 H PHE A 207 54.242 18.746 6.705 1.00 0.00 H new ATOM 0 HA PHE A 207 56.313 18.177 4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 207 53.284 17.847 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 207 54.075 18.056 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 207 54.457 15.890 6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 207 54.539 16.149 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 207 54.802 13.436 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 207 54.856 13.692 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 207 54.899 12.327 3.958 1.00 0.00 H new ATOM 1022 N THR A 208 55.843 20.308 3.315 1.00 0.00 N ATOM 1023 CA THR A 208 55.543 21.528 2.541 1.00 0.00 C ATOM 1024 C THR A 208 54.255 21.356 1.732 1.00 0.00 C ATOM 1025 O THR A 208 53.441 22.277 1.652 1.00 0.00 O ATOM 1026 CB THR A 208 56.703 21.911 1.616 1.00 0.00 C ATOM 1027 OG1 THR A 208 56.910 20.889 0.669 1.00 0.00 O ATOM 1028 CG2 THR A 208 58.011 22.106 2.377 1.00 0.00 C ATOM 0 H THR A 208 56.593 19.740 2.921 1.00 0.00 H new ATOM 0 HA THR A 208 55.403 22.339 3.256 1.00 0.00 H new ATOM 0 HB THR A 208 56.429 22.852 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 208 57.651 21.136 0.077 1.00 0.00 H new ATOM 0 HG21 THR A 208 58.802 22.376 1.678 1.00 0.00 H new ATOM 0 HG22 THR A 208 57.889 22.902 3.112 1.00 0.00 H new ATOM 0 HG23 THR A 208 58.277 21.180 2.886 1.00 0.00 H new ATOM 1036 N ASN A 209 54.052 20.153 1.188 1.00 0.00 N ATOM 1037 CA ASN A 209 52.861 19.721 0.459 1.00 0.00 C ATOM 1038 C ASN A 209 51.580 19.763 1.315 1.00 0.00 C ATOM 1039 O ASN A 209 51.639 19.676 2.541 1.00 0.00 O ATOM 1040 CB ASN A 209 53.064 18.278 -0.033 1.00 0.00 C ATOM 1041 CG ASN A 209 54.314 18.076 -0.886 1.00 0.00 C ATOM 1042 OD1 ASN A 209 55.420 17.941 -0.374 1.00 0.00 O ATOM 1043 ND2 ASN A 209 54.168 18.023 -2.197 1.00 0.00 N ATOM 0 H ASN A 209 54.754 19.415 1.249 1.00 0.00 H new ATOM 0 HA ASN A 209 52.730 20.416 -0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 209 53.117 17.616 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 209 52.191 17.977 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 209 54.980 17.868 -2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 209 53.243 18.137 -2.612 1.00 0.00 H new ATOM 1050 N SER A 210 50.410 19.781 0.667 1.00 0.00 N ATOM 1051 CA SER A 210 49.113 19.622 1.344 1.00 0.00 C ATOM 1052 C SER A 210 48.265 18.505 0.706 1.00 0.00 C ATOM 1053 O SER A 210 48.092 17.452 1.324 1.00 0.00 O ATOM 1054 CB SER A 210 48.405 20.985 1.456 1.00 0.00 C ATOM 1055 OG SER A 210 47.909 21.483 0.222 1.00 0.00 O ATOM 0 H SER A 210 50.333 19.906 -0.342 1.00 0.00 H new ATOM 0 HA SER A 210 49.277 19.280 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 210 47.577 20.896 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 210 49.102 21.711 1.875 1.00 0.00 H new ATOM 0 HG SER A 210 47.472 22.348 0.370 1.00 0.00 H new ATOM 1061 N ASP A 211 47.814 18.655 -0.546 1.00 0.00 N ATOM 1062 CA ASP A 211 47.000 17.642 -1.238 1.00 0.00 C ATOM 1063 C ASP A 211 47.754 16.309 -1.410 1.00 0.00 C ATOM 1064 O ASP A 211 47.146 15.239 -1.365 1.00 0.00 O ATOM 1065 CB ASP A 211 46.543 18.173 -2.607 1.00 0.00 C ATOM 1066 CG ASP A 211 45.482 19.286 -2.513 1.00 0.00 C ATOM 1067 OD1 ASP A 211 44.347 18.995 -2.071 1.00 0.00 O ATOM 1068 OD2 ASP A 211 45.770 20.433 -2.934 1.00 0.00 O ATOM 0 H ASP A 211 48.003 19.483 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 211 46.127 17.445 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 211 47.410 18.553 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 211 46.140 17.346 -3.192 1.00 0.00 H new ATOM 1073 N ASP A 212 49.087 16.353 -1.532 1.00 0.00 N ATOM 1074 CA ASP A 212 49.930 15.158 -1.653 1.00 0.00 C ATOM 1075 C ASP A 212 50.049 14.368 -0.337 1.00 0.00 C ATOM 1076 O ASP A 212 50.442 13.205 -0.364 1.00 0.00 O ATOM 1077 CB ASP A 212 51.328 15.530 -2.166 1.00 0.00 C ATOM 1078 CG ASP A 212 51.296 16.417 -3.420 1.00 0.00 C ATOM 1079 OD1 ASP A 212 51.094 15.878 -4.535 1.00 0.00 O ATOM 1080 OD2 ASP A 212 51.499 17.648 -3.280 1.00 0.00 O ATOM 0 H ASP A 212 49.614 17.226 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 212 49.435 14.508 -2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 212 51.872 16.048 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 212 51.881 14.617 -2.388 1.00 0.00 H new ATOM 1085 N VAL A 213 49.719 14.972 0.812 1.00 0.00 N ATOM 1086 CA VAL A 213 49.821 14.318 2.135 1.00 0.00 C ATOM 1087 C VAL A 213 48.763 13.209 2.316 1.00 0.00 C ATOM 1088 O VAL A 213 48.972 12.262 3.072 1.00 0.00 O ATOM 1089 CB VAL A 213 49.818 15.338 3.300 1.00 0.00 C ATOM 1090 CG1 VAL A 213 50.205 14.687 4.641 1.00 0.00 C ATOM 1091 CG2 VAL A 213 50.829 16.474 3.046 1.00 0.00 C ATOM 0 H VAL A 213 49.372 15.930 0.857 1.00 0.00 H new ATOM 0 HA VAL A 213 50.793 13.827 2.167 1.00 0.00 H new ATOM 0 HB VAL A 213 48.800 15.724 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 213 50.189 15.440 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 213 49.494 13.897 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 213 51.206 14.263 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 213 50.805 17.175 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 213 51.831 16.055 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 213 50.566 16.996 2.126 1.00 0.00 H new ATOM 1101 N ASP A 214 47.653 13.257 1.570 1.00 0.00 N ATOM 1102 CA ASP A 214 46.738 12.116 1.413 1.00 0.00 C ATOM 1103 C ASP A 214 47.347 11.044 0.489 1.00 0.00 C ATOM 1104 O ASP A 214 47.384 9.865 0.845 1.00 0.00 O ATOM 1105 CB ASP A 214 45.396 12.623 0.874 1.00 0.00 C ATOM 1106 CG ASP A 214 44.391 11.474 0.697 1.00 0.00 C ATOM 1107 OD1 ASP A 214 43.769 11.065 1.706 1.00 0.00 O ATOM 1108 OD2 ASP A 214 44.225 10.993 -0.449 1.00 0.00 O ATOM 0 H ASP A 214 47.362 14.089 1.057 1.00 0.00 H new ATOM 0 HA ASP A 214 46.576 11.645 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 214 44.985 13.365 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 214 45.552 13.122 -0.082 1.00 0.00 H new ATOM 1113 N ARG A 215 47.912 11.469 -0.652 1.00 0.00 N ATOM 1114 CA ARG A 215 48.633 10.628 -1.612 1.00 0.00 C ATOM 1115 C ARG A 215 49.822 9.865 -0.998 1.00 0.00 C ATOM 1116 O ARG A 215 50.128 8.757 -1.440 1.00 0.00 O ATOM 1117 CB ARG A 215 49.087 11.519 -2.786 1.00 0.00 C ATOM 1118 CG ARG A 215 48.838 10.806 -4.113 1.00 0.00 C ATOM 1119 CD ARG A 215 49.302 11.652 -5.306 1.00 0.00 C ATOM 1120 NE ARG A 215 49.108 10.928 -6.577 1.00 0.00 N ATOM 1121 CZ ARG A 215 48.002 10.877 -7.316 1.00 0.00 C ATOM 1122 NH1 ARG A 215 46.898 11.512 -6.978 1.00 0.00 N ATOM 1123 NH2 ARG A 215 47.997 10.169 -8.425 1.00 0.00 N ATOM 0 H ARG A 215 47.876 12.447 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 215 47.952 9.850 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 215 48.546 12.465 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 215 50.146 11.756 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 215 49.363 9.851 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 215 47.775 10.586 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 215 48.746 12.589 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 215 50.355 11.908 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 215 49.912 10.408 -6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 215 46.871 12.068 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 215 46.071 11.448 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 215 48.836 9.665 -8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 215 47.154 10.124 -8.998 1.00 0.00 H new ATOM 1137 N ALA A 216 50.449 10.423 0.043 1.00 0.00 N ATOM 1138 CA ALA A 216 51.406 9.752 0.922 1.00 0.00 C ATOM 1139 C ALA A 216 50.740 8.575 1.646 1.00 0.00 C ATOM 1140 O ALA A 216 51.027 7.415 1.367 1.00 0.00 O ATOM 1141 CB ALA A 216 51.988 10.801 1.900 1.00 0.00 C ATOM 0 H ALA A 216 50.295 11.397 0.305 1.00 0.00 H new ATOM 0 HA ALA A 216 52.226 9.327 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 216 52.705 10.320 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 216 52.488 11.587 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 216 51.181 11.236 2.490 1.00 0.00 H new ATOM 1147 N ILE A 217 49.814 8.856 2.563 1.00 0.00 N ATOM 1148 CA ILE A 217 49.304 7.856 3.517 1.00 0.00 C ATOM 1149 C ILE A 217 48.489 6.740 2.848 1.00 0.00 C ATOM 1150 O ILE A 217 48.573 5.595 3.295 1.00 0.00 O ATOM 1151 CB ILE A 217 48.604 8.583 4.692 1.00 0.00 C ATOM 1152 CG1 ILE A 217 49.673 9.033 5.716 1.00 0.00 C ATOM 1153 CG2 ILE A 217 47.567 7.726 5.426 1.00 0.00 C ATOM 1154 CD1 ILE A 217 50.309 10.375 5.395 1.00 0.00 C ATOM 0 H ILE A 217 49.394 9.779 2.670 1.00 0.00 H new ATOM 0 HA ILE A 217 50.140 7.302 3.944 1.00 0.00 H new ATOM 0 HB ILE A 217 48.071 9.427 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 217 49.216 9.086 6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 217 50.455 8.275 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.122 8.306 6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 217 46.788 7.420 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.052 6.842 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 217 51.047 10.620 6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 217 50.798 10.323 4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 217 49.539 11.147 5.373 1.00 0.00 H new ATOM 1166 N ARG A 218 47.844 7.014 1.705 1.00 0.00 N ATOM 1167 CA ARG A 218 47.200 5.993 0.861 1.00 0.00 C ATOM 1168 C ARG A 218 48.178 4.899 0.369 1.00 0.00 C ATOM 1169 O ARG A 218 47.738 3.814 -0.011 1.00 0.00 O ATOM 1170 CB ARG A 218 46.463 6.703 -0.297 1.00 0.00 C ATOM 1171 CG ARG A 218 45.442 5.826 -1.051 1.00 0.00 C ATOM 1172 CD ARG A 218 45.969 5.244 -2.372 1.00 0.00 C ATOM 1173 NE ARG A 218 44.969 4.353 -2.990 1.00 0.00 N ATOM 1174 CZ ARG A 218 45.139 3.596 -4.068 1.00 0.00 C ATOM 1175 NH1 ARG A 218 46.266 3.585 -4.751 1.00 0.00 N ATOM 1176 NH2 ARG A 218 44.156 2.826 -4.473 1.00 0.00 N ATOM 0 H ARG A 218 47.753 7.960 1.335 1.00 0.00 H new ATOM 0 HA ARG A 218 46.475 5.448 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 218 45.946 7.576 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 218 47.203 7.068 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 218 45.135 5.006 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 218 44.552 6.420 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 218 46.214 6.054 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 218 46.891 4.691 -2.189 1.00 0.00 H new ATOM 0 HE ARG A 218 44.053 4.314 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 218 47.047 4.172 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 218 46.358 2.990 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 218 43.274 2.814 -3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 218 44.274 2.240 -5.300 1.00 0.00 H new ATOM 1190 N GLN A 219 49.492 5.153 0.399 1.00 0.00 N ATOM 1191 CA GLN A 219 50.550 4.206 0.022 1.00 0.00 C ATOM 1192 C GLN A 219 51.342 3.661 1.232 1.00 0.00 C ATOM 1193 O GLN A 219 52.153 2.751 1.048 1.00 0.00 O ATOM 1194 CB GLN A 219 51.510 4.893 -0.970 1.00 0.00 C ATOM 1195 CG GLN A 219 50.823 5.349 -2.268 1.00 0.00 C ATOM 1196 CD GLN A 219 51.817 6.011 -3.223 1.00 0.00 C ATOM 1197 OE1 GLN A 219 52.620 5.358 -3.880 1.00 0.00 O ATOM 1198 NE2 GLN A 219 51.805 7.324 -3.335 1.00 0.00 N ATOM 0 H GLN A 219 49.862 6.056 0.697 1.00 0.00 H new ATOM 0 HA GLN A 219 50.066 3.346 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 219 51.964 5.757 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 219 52.318 4.205 -1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 219 50.362 4.491 -2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 219 50.022 6.050 -2.031 1.00 0.00 H new ATOM 0 HE21 GLN A 219 51.141 7.876 -2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 219 52.460 7.788 -3.964 1.00 0.00 H new ATOM 1207 N TYR A 220 51.116 4.169 2.456 1.00 0.00 N ATOM 1208 CA TYR A 220 51.955 3.868 3.633 1.00 0.00 C ATOM 1209 C TYR A 220 51.224 3.304 4.865 1.00 0.00 C ATOM 1210 O TYR A 220 51.866 2.649 5.689 1.00 0.00 O ATOM 1211 CB TYR A 220 52.706 5.132 4.068 1.00 0.00 C ATOM 1212 CG TYR A 220 53.620 5.784 3.046 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.519 5.022 2.272 1.00 0.00 C ATOM 1214 CD2 TYR A 220 53.619 7.185 2.929 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.418 5.660 1.398 1.00 0.00 C ATOM 1216 CE2 TYR A 220 54.506 7.832 2.058 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.421 7.070 1.296 1.00 0.00 C ATOM 1218 OH TYR A 220 56.306 7.689 0.470 1.00 0.00 O ATOM 0 H TYR A 220 50.343 4.803 2.659 1.00 0.00 H new ATOM 0 HA TYR A 220 52.618 3.074 3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 220 51.969 5.871 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.303 4.885 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.517 3.945 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 220 52.927 7.769 3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 220 56.105 5.073 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 220 54.491 8.908 1.969 1.00 0.00 H new ATOM 0 HH TYR A 220 57.170 7.777 0.923 1.00 0.00 H new ATOM 1228 N ASP A 221 49.916 3.522 5.034 1.00 0.00 N ATOM 1229 CA ASP A 221 49.187 2.959 6.179 1.00 0.00 C ATOM 1230 C ASP A 221 49.095 1.423 6.038 1.00 0.00 C ATOM 1231 O ASP A 221 48.580 0.915 5.038 1.00 0.00 O ATOM 1232 CB ASP A 221 47.811 3.627 6.289 1.00 0.00 C ATOM 1233 CG ASP A 221 47.186 3.427 7.675 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.635 4.109 8.629 1.00 0.00 O ATOM 1235 OD2 ASP A 221 46.252 2.600 7.797 1.00 0.00 O ATOM 0 H ASP A 221 49.343 4.079 4.400 1.00 0.00 H new ATOM 0 HA ASP A 221 49.722 3.163 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 221 47.908 4.693 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 221 47.147 3.216 5.529 1.00 0.00 H new ATOM 1240 N GLY A 222 49.637 0.687 7.018 1.00 0.00 N ATOM 1241 CA GLY A 222 49.854 -0.764 6.938 1.00 0.00 C ATOM 1242 C GLY A 222 51.246 -1.184 6.475 1.00 0.00 C ATOM 1243 O GLY A 222 51.484 -2.389 6.376 1.00 0.00 O ATOM 0 H GLY A 222 49.942 1.090 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.668 -1.199 7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 222 49.117 -1.189 6.256 1.00 0.00 H new ATOM 1247 N ALA A 223 52.163 -0.252 6.186 1.00 0.00 N ATOM 1248 CA ALA A 223 53.543 -0.600 5.847 1.00 0.00 C ATOM 1249 C ALA A 223 54.223 -1.322 7.025 1.00 0.00 C ATOM 1250 O ALA A 223 54.543 -0.727 8.056 1.00 0.00 O ATOM 1251 CB ALA A 223 54.326 0.643 5.387 1.00 0.00 C ATOM 0 H ALA A 223 51.971 0.750 6.181 1.00 0.00 H new ATOM 0 HA ALA A 223 53.535 -1.294 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 223 55.349 0.358 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.846 1.070 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 223 54.338 1.382 6.188 1.00 0.00 H new ATOM 1257 N PHE A 224 54.451 -2.624 6.848 1.00 0.00 N ATOM 1258 CA PHE A 224 55.482 -3.383 7.561 1.00 0.00 C ATOM 1259 C PHE A 224 56.816 -2.617 7.496 1.00 0.00 C ATOM 1260 O PHE A 224 57.365 -2.404 6.411 1.00 0.00 O ATOM 1261 CB PHE A 224 55.642 -4.778 6.933 1.00 0.00 C ATOM 1262 CG PHE A 224 54.551 -5.783 7.258 1.00 0.00 C ATOM 1263 CD1 PHE A 224 53.279 -5.678 6.662 1.00 0.00 C ATOM 1264 CD2 PHE A 224 54.825 -6.859 8.126 1.00 0.00 C ATOM 1265 CE1 PHE A 224 52.291 -6.641 6.931 1.00 0.00 C ATOM 1266 CE2 PHE A 224 53.844 -7.831 8.379 1.00 0.00 C ATOM 1267 CZ PHE A 224 52.577 -7.727 7.776 1.00 0.00 C ATOM 0 H PHE A 224 53.914 -3.192 6.193 1.00 0.00 H new ATOM 0 HA PHE A 224 55.185 -3.504 8.603 1.00 0.00 H new ATOM 0 HB2 PHE A 224 55.692 -4.664 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 224 56.598 -5.192 7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 224 53.062 -4.855 5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 224 55.793 -6.936 8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 224 51.311 -6.546 6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 224 54.062 -8.659 9.037 1.00 0.00 H new ATOM 0 HZ PHE A 224 51.826 -8.480 7.962 1.00 0.00 H new ATOM 1277 N PHE A 225 57.324 -2.197 8.657 1.00 0.00 N ATOM 1278 CA PHE A 225 58.487 -1.324 8.792 1.00 0.00 C ATOM 1279 C PHE A 225 59.173 -1.617 10.135 1.00 0.00 C ATOM 1280 O PHE A 225 58.607 -1.359 11.200 1.00 0.00 O ATOM 1281 CB PHE A 225 58.027 0.142 8.660 1.00 0.00 C ATOM 1282 CG PHE A 225 59.002 1.044 7.939 1.00 0.00 C ATOM 1283 CD1 PHE A 225 59.210 0.858 6.561 1.00 0.00 C ATOM 1284 CD2 PHE A 225 59.662 2.089 8.615 1.00 0.00 C ATOM 1285 CE1 PHE A 225 60.088 1.699 5.859 1.00 0.00 C ATOM 1286 CE2 PHE A 225 60.535 2.935 7.908 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.756 2.735 6.535 1.00 0.00 C ATOM 0 H PHE A 225 56.923 -2.465 9.556 1.00 0.00 H new ATOM 0 HA PHE A 225 59.219 -1.507 8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 225 57.073 0.164 8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.849 0.545 9.657 1.00 0.00 H new ATOM 0 HD1 PHE A 225 58.693 0.065 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 225 59.498 2.240 9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 225 60.250 1.550 4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 225 61.037 3.741 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 225 61.439 3.377 5.999 1.00 0.00 H new ATOM 1297 N MET A 226 60.372 -2.210 10.083 1.00 0.00 N ATOM 1298 CA MET A 226 61.114 -2.696 11.260 1.00 0.00 C ATOM 1299 C MET A 226 60.283 -3.702 12.096 1.00 0.00 C ATOM 1300 O MET A 226 60.091 -3.547 13.301 1.00 0.00 O ATOM 1301 CB MET A 226 61.685 -1.493 12.046 1.00 0.00 C ATOM 1302 CG MET A 226 63.119 -1.739 12.534 1.00 0.00 C ATOM 1303 SD MET A 226 63.352 -3.121 13.684 1.00 0.00 S ATOM 1304 CE MET A 226 65.136 -2.969 13.950 1.00 0.00 C ATOM 0 H MET A 226 60.866 -2.370 9.205 1.00 0.00 H new ATOM 0 HA MET A 226 61.974 -3.284 10.940 1.00 0.00 H new ATOM 0 HB2 MET A 226 61.667 -0.607 11.412 1.00 0.00 H new ATOM 0 HB3 MET A 226 61.044 -1.285 12.902 1.00 0.00 H new ATOM 0 HG2 MET A 226 63.752 -1.909 11.663 1.00 0.00 H new ATOM 0 HG3 MET A 226 63.477 -0.829 13.016 1.00 0.00 H new ATOM 0 HE1 MET A 226 65.468 -3.745 14.639 1.00 0.00 H new ATOM 0 HE2 MET A 226 65.657 -3.081 12.999 1.00 0.00 H new ATOM 0 HE3 MET A 226 65.359 -1.989 14.372 1.00 0.00 H new ATOM 1314 N ASP A 227 59.726 -4.716 11.416 1.00 0.00 N ATOM 1315 CA ASP A 227 59.043 -5.905 11.978 1.00 0.00 C ATOM 1316 C ASP A 227 57.599 -5.675 12.487 1.00 0.00 C ATOM 1317 O ASP A 227 56.953 -6.627 12.935 1.00 0.00 O ATOM 1318 CB ASP A 227 59.937 -6.598 13.030 1.00 0.00 C ATOM 1319 CG ASP A 227 59.548 -8.066 13.289 1.00 0.00 C ATOM 1320 OD1 ASP A 227 59.490 -8.856 12.315 1.00 0.00 O ATOM 1321 OD2 ASP A 227 59.357 -8.441 14.471 1.00 0.00 O ATOM 0 H ASP A 227 59.738 -4.735 10.396 1.00 0.00 H new ATOM 0 HA ASP A 227 58.900 -6.578 11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 227 60.974 -6.558 12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 227 59.880 -6.044 13.967 1.00 0.00 H new ATOM 1326 N ARG A 228 57.065 -4.446 12.389 1.00 0.00 N ATOM 1327 CA ARG A 228 55.687 -4.088 12.786 1.00 0.00 C ATOM 1328 C ARG A 228 55.003 -3.201 11.740 1.00 0.00 C ATOM 1329 O ARG A 228 55.659 -2.497 10.978 1.00 0.00 O ATOM 1330 CB ARG A 228 55.674 -3.401 14.164 1.00 0.00 C ATOM 1331 CG ARG A 228 56.151 -4.331 15.290 1.00 0.00 C ATOM 1332 CD ARG A 228 56.024 -3.649 16.657 1.00 0.00 C ATOM 1333 NE ARG A 228 56.546 -4.503 17.740 1.00 0.00 N ATOM 1334 CZ ARG A 228 57.819 -4.665 18.089 1.00 0.00 C ATOM 1335 NH1 ARG A 228 58.806 -4.081 17.440 1.00 0.00 N ATOM 1336 NH2 ARG A 228 58.117 -5.433 19.116 1.00 0.00 N ATOM 0 H ARG A 228 57.590 -3.652 12.023 1.00 0.00 H new ATOM 0 HA ARG A 228 55.120 -5.017 12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 228 56.312 -2.518 14.132 1.00 0.00 H new ATOM 0 HB3 ARG A 228 54.664 -3.057 14.385 1.00 0.00 H new ATOM 0 HG2 ARG A 228 55.563 -5.249 15.282 1.00 0.00 H new ATOM 0 HG3 ARG A 228 57.189 -4.615 15.117 1.00 0.00 H new ATOM 0 HD2 ARG A 228 56.567 -2.704 16.645 1.00 0.00 H new ATOM 0 HD3 ARG A 228 54.978 -3.413 16.851 1.00 0.00 H new ATOM 0 HE ARG A 228 55.856 -5.026 18.280 1.00 0.00 H new ATOM 0 HH11 ARG A 228 58.606 -3.481 16.640 1.00 0.00 H new ATOM 0 HH12 ARG A 228 59.770 -4.229 17.738 1.00 0.00 H new ATOM 0 HH21 ARG A 228 57.374 -5.898 19.637 1.00 0.00 H new ATOM 0 HH22 ARG A 228 59.091 -5.563 19.390 1.00 0.00 H new ATOM 1350 N LYS A 229 53.668 -3.224 11.688 1.00 0.00 N ATOM 1351 CA LYS A 229 52.884 -2.488 10.686 1.00 0.00 C ATOM 1352 C LYS A 229 52.572 -1.060 11.182 1.00 0.00 C ATOM 1353 O LYS A 229 51.713 -0.875 12.046 1.00 0.00 O ATOM 1354 CB LYS A 229 51.593 -3.256 10.314 1.00 0.00 C ATOM 1355 CG LYS A 229 51.726 -4.767 10.029 1.00 0.00 C ATOM 1356 CD LYS A 229 51.526 -5.638 11.287 1.00 0.00 C ATOM 1357 CE LYS A 229 51.374 -7.137 10.977 1.00 0.00 C ATOM 1358 NZ LYS A 229 50.050 -7.470 10.376 1.00 0.00 N ATOM 0 H LYS A 229 53.095 -3.756 12.343 1.00 0.00 H new ATOM 0 HA LYS A 229 53.482 -2.403 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 229 50.878 -3.128 11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 229 51.161 -2.783 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 229 50.994 -5.055 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 229 52.712 -4.966 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 229 52.375 -5.498 11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 229 50.640 -5.294 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 229 52.166 -7.445 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 229 51.505 -7.709 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 50.001 -8.492 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 49.292 -7.203 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 49.932 -6.947 9.485 1.00 0.00 H new ATOM 1372 N ILE A 230 53.270 -0.038 10.666 1.00 0.00 N ATOM 1373 CA ILE A 230 52.936 1.378 10.922 1.00 0.00 C ATOM 1374 C ILE A 230 51.470 1.683 10.553 1.00 0.00 C ATOM 1375 O ILE A 230 50.979 1.253 9.508 1.00 0.00 O ATOM 1376 CB ILE A 230 53.923 2.368 10.231 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.549 2.730 8.773 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.375 1.861 10.306 1.00 0.00 C ATOM 1379 CD1 ILE A 230 54.554 3.652 8.069 1.00 0.00 C ATOM 0 H ILE A 230 54.081 -0.165 10.060 1.00 0.00 H new ATOM 0 HA ILE A 230 53.051 1.536 11.994 1.00 0.00 H new ATOM 0 HB ILE A 230 53.836 3.293 10.801 1.00 0.00 H new ATOM 0 HG12 ILE A 230 53.454 1.810 8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 230 52.571 3.211 8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 230 56.036 2.575 9.815 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.669 1.753 11.350 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.449 0.895 9.806 1.00 0.00 H new ATOM 0 HD11 ILE A 230 54.213 3.854 7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.633 4.590 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 230 55.530 3.168 8.035 1.00 0.00 H new ATOM 1391 N PHE A 231 50.805 2.484 11.388 1.00 0.00 N ATOM 1392 CA PHE A 231 49.513 3.102 11.094 1.00 0.00 C ATOM 1393 C PHE A 231 49.597 4.585 11.470 1.00 0.00 C ATOM 1394 O PHE A 231 50.262 4.933 12.450 1.00 0.00 O ATOM 1395 CB PHE A 231 48.364 2.391 11.835 1.00 0.00 C ATOM 1396 CG PHE A 231 48.134 0.926 11.491 1.00 0.00 C ATOM 1397 CD1 PHE A 231 47.938 0.527 10.154 1.00 0.00 C ATOM 1398 CD2 PHE A 231 48.047 -0.041 12.513 1.00 0.00 C ATOM 1399 CE1 PHE A 231 47.684 -0.820 9.840 1.00 0.00 C ATOM 1400 CE2 PHE A 231 47.807 -1.392 12.200 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.627 -1.784 10.863 1.00 0.00 C ATOM 0 H PHE A 231 51.161 2.727 12.312 1.00 0.00 H new ATOM 0 HA PHE A 231 49.292 3.006 10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.553 2.464 12.906 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.441 2.936 11.636 1.00 0.00 H new ATOM 0 HD1 PHE A 231 47.983 1.262 9.364 1.00 0.00 H new ATOM 0 HD2 PHE A 231 48.165 0.257 13.544 1.00 0.00 H new ATOM 0 HE1 PHE A 231 47.532 -1.115 8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 231 47.761 -2.128 12.989 1.00 0.00 H new ATOM 0 HZ PHE A 231 47.446 -2.821 10.622 1.00 0.00 H new ATOM 1411 N VAL A 232 48.962 5.447 10.678 1.00 0.00 N ATOM 1412 CA VAL A 232 49.175 6.905 10.697 1.00 0.00 C ATOM 1413 C VAL A 232 47.854 7.670 10.612 1.00 0.00 C ATOM 1414 O VAL A 232 46.993 7.373 9.785 1.00 0.00 O ATOM 1415 CB VAL A 232 50.190 7.370 9.614 1.00 0.00 C ATOM 1416 CG1 VAL A 232 50.025 6.636 8.273 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.188 8.897 9.354 1.00 0.00 C ATOM 0 H VAL A 232 48.270 5.152 9.989 1.00 0.00 H new ATOM 0 HA VAL A 232 49.624 7.145 11.661 1.00 0.00 H new ATOM 0 HB VAL A 232 51.154 7.105 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 232 50.763 7.007 7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 232 50.172 5.566 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 232 49.023 6.813 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 232 50.924 9.136 8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 232 49.199 9.208 9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 232 50.440 9.423 10.275 1.00 0.00 H new ATOM 1427 N ARG A 233 47.744 8.687 11.472 1.00 0.00 N ATOM 1428 CA ARG A 233 46.657 9.666 11.521 1.00 0.00 C ATOM 1429 C ARG A 233 47.103 10.976 10.858 1.00 0.00 C ATOM 1430 O ARG A 233 48.244 11.413 11.022 1.00 0.00 O ATOM 1431 CB ARG A 233 46.252 9.914 12.988 1.00 0.00 C ATOM 1432 CG ARG A 233 45.664 8.657 13.656 1.00 0.00 C ATOM 1433 CD ARG A 233 45.315 8.875 15.135 1.00 0.00 C ATOM 1434 NE ARG A 233 44.201 9.827 15.311 1.00 0.00 N ATOM 1435 CZ ARG A 233 43.748 10.304 16.467 1.00 0.00 C ATOM 1436 NH1 ARG A 233 44.260 9.934 17.623 1.00 0.00 N ATOM 1437 NH2 ARG A 233 42.759 11.171 16.473 1.00 0.00 N ATOM 0 H ARG A 233 48.448 8.857 12.190 1.00 0.00 H new ATOM 0 HA ARG A 233 45.795 9.279 10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 233 47.124 10.247 13.551 1.00 0.00 H new ATOM 0 HB3 ARG A 233 45.519 10.720 13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 233 44.767 8.351 13.117 1.00 0.00 H new ATOM 0 HG3 ARG A 233 46.380 7.839 13.573 1.00 0.00 H new ATOM 0 HD2 ARG A 233 45.049 7.920 15.588 1.00 0.00 H new ATOM 0 HD3 ARG A 233 46.194 9.245 15.663 1.00 0.00 H new ATOM 0 HE ARG A 233 43.733 10.150 14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 233 45.027 9.262 17.649 1.00 0.00 H new ATOM 0 HH12 ARG A 233 43.889 10.319 18.492 1.00 0.00 H new ATOM 0 HH21 ARG A 233 42.342 11.475 15.593 1.00 0.00 H new ATOM 0 HH22 ARG A 233 42.409 11.539 17.357 1.00 0.00 H new