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 Set 1.1: A 208 THR OG1 : rot 180:sc= 0.0163 USER MOD Set 1.2: A 209 ASN : amide:sc= 0.812 K(o=0.83,f=-0.24) USER MOD Single : A 162 SER OG : rot -30:sc= 0.0765 USER MOD Single : A 167 ASN : amide:sc=-0.00185 X(o=-0.0018,f=-0.0018) USER MOD Single : A 169 THR OG1 : rot 170:sc= 0 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 100:sc= 1.22 USER MOD Single : A 178 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 182 SER OG : rot -40:sc= 0.738 USER MOD Single : A 183 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 166:sc= -0.0473 (180deg=-0.327) USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 220 TYR OH : rot -104:sc= 0.0261 USER MOD Single : A 226 MET CE :methyl -178:sc= 0 (180deg=-0.0131) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 50.858 18.353 8.089 1.00 0.00 N ATOM 314 CA SER A 162 51.595 17.542 9.060 1.00 0.00 C ATOM 315 C SER A 162 50.774 16.321 9.502 1.00 0.00 C ATOM 316 O SER A 162 49.570 16.222 9.238 1.00 0.00 O ATOM 317 CB SER A 162 52.064 18.413 10.244 1.00 0.00 C ATOM 318 OG SER A 162 51.008 19.148 10.849 1.00 0.00 O ATOM 0 HA SER A 162 52.491 17.147 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 162 52.531 17.775 10.994 1.00 0.00 H new ATOM 0 HB3 SER A 162 52.829 19.107 9.896 1.00 0.00 H new ATOM 0 HG SER A 162 50.330 19.361 10.175 1.00 0.00 H new ATOM 324 N ILE A 163 51.450 15.351 10.123 1.00 0.00 N ATOM 325 CA ILE A 163 50.917 14.032 10.478 1.00 0.00 C ATOM 326 C ILE A 163 51.499 13.565 11.815 1.00 0.00 C ATOM 327 O ILE A 163 52.682 13.791 12.098 1.00 0.00 O ATOM 328 CB ILE A 163 51.196 12.990 9.361 1.00 0.00 C ATOM 329 CG1 ILE A 163 52.701 12.686 9.198 1.00 0.00 C ATOM 330 CG2 ILE A 163 50.624 13.427 8.002 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.040 11.637 8.144 1.00 0.00 C ATOM 0 H ILE A 163 52.424 15.467 10.404 1.00 0.00 H new ATOM 0 HA ILE A 163 49.836 14.122 10.581 1.00 0.00 H new ATOM 0 HB ILE A 163 50.689 12.081 9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.217 13.612 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.095 12.353 10.159 1.00 0.00 H new ATOM 0 HG21 ILE A 163 50.844 12.666 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 163 49.544 13.553 8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 163 51.077 14.372 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.120 11.495 8.106 1.00 0.00 H new ATOM 0 HD12 ILE A 163 52.559 10.694 8.402 1.00 0.00 H new ATOM 0 HD13 ILE A 163 52.684 11.972 7.170 1.00 0.00 H new ATOM 343 N PHE A 164 50.686 12.850 12.586 1.00 0.00 N ATOM 344 CA PHE A 164 51.068 12.138 13.800 1.00 0.00 C ATOM 345 C PHE A 164 51.029 10.623 13.542 1.00 0.00 C ATOM 346 O PHE A 164 50.233 10.145 12.736 1.00 0.00 O ATOM 347 CB PHE A 164 50.113 12.554 14.929 1.00 0.00 C ATOM 348 CG PHE A 164 50.365 11.844 16.244 1.00 0.00 C ATOM 349 CD1 PHE A 164 51.433 12.242 17.068 1.00 0.00 C ATOM 350 CD2 PHE A 164 49.553 10.759 16.626 1.00 0.00 C ATOM 351 CE1 PHE A 164 51.690 11.557 18.270 1.00 0.00 C ATOM 352 CE2 PHE A 164 49.803 10.082 17.832 1.00 0.00 C ATOM 353 CZ PHE A 164 50.874 10.479 18.654 1.00 0.00 C ATOM 0 H PHE A 164 49.694 12.747 12.370 1.00 0.00 H new ATOM 0 HA PHE A 164 52.086 12.392 14.097 1.00 0.00 H new ATOM 0 HB2 PHE A 164 50.200 13.629 15.086 1.00 0.00 H new ATOM 0 HB3 PHE A 164 49.088 12.359 14.614 1.00 0.00 H new ATOM 0 HD1 PHE A 164 52.057 13.075 16.778 1.00 0.00 H new ATOM 0 HD2 PHE A 164 48.737 10.447 15.991 1.00 0.00 H new ATOM 0 HE1 PHE A 164 52.515 11.860 18.898 1.00 0.00 H new ATOM 0 HE2 PHE A 164 49.173 9.256 18.128 1.00 0.00 H new ATOM 0 HZ PHE A 164 51.069 9.956 19.579 1.00 0.00 H new ATOM 363 N VAL A 165 51.872 9.865 14.240 1.00 0.00 N ATOM 364 CA VAL A 165 51.982 8.403 14.132 1.00 0.00 C ATOM 365 C VAL A 165 52.177 7.819 15.532 1.00 0.00 C ATOM 366 O VAL A 165 53.258 7.913 16.112 1.00 0.00 O ATOM 367 CB VAL A 165 53.106 7.949 13.161 1.00 0.00 C ATOM 368 CG1 VAL A 165 52.654 7.873 11.703 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.349 8.850 13.166 1.00 0.00 C ATOM 0 H VAL A 165 52.521 10.260 14.920 1.00 0.00 H new ATOM 0 HA VAL A 165 51.057 8.021 13.699 1.00 0.00 H new ATOM 0 HB VAL A 165 53.356 6.961 13.549 1.00 0.00 H new ATOM 0 HG11 VAL A 165 53.488 7.550 11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 165 51.835 7.159 11.613 1.00 0.00 H new ATOM 0 HG13 VAL A 165 52.316 8.856 11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 165 55.083 8.461 12.461 1.00 0.00 H new ATOM 0 HG22 VAL A 165 54.066 9.862 12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.781 8.868 14.166 1.00 0.00 H new ATOM 379 N GLY A 166 51.099 7.252 16.087 1.00 0.00 N ATOM 380 CA GLY A 166 51.029 6.801 17.485 1.00 0.00 C ATOM 381 C GLY A 166 51.631 5.417 17.731 1.00 0.00 C ATOM 382 O GLY A 166 51.929 5.085 18.875 1.00 0.00 O ATOM 0 H GLY A 166 50.235 7.090 15.569 1.00 0.00 H new ATOM 0 HA2 GLY A 166 51.545 7.526 18.115 1.00 0.00 H new ATOM 0 HA3 GLY A 166 49.985 6.791 17.800 1.00 0.00 H new ATOM 386 N ASN A 167 51.842 4.633 16.669 1.00 0.00 N ATOM 387 CA ASN A 167 52.447 3.296 16.694 1.00 0.00 C ATOM 388 C ASN A 167 53.141 3.010 15.353 1.00 0.00 C ATOM 389 O ASN A 167 52.554 3.252 14.298 1.00 0.00 O ATOM 390 CB ASN A 167 51.361 2.233 16.963 1.00 0.00 C ATOM 391 CG ASN A 167 50.915 2.181 18.424 1.00 0.00 C ATOM 392 OD1 ASN A 167 51.688 1.849 19.315 1.00 0.00 O ATOM 393 ND2 ASN A 167 49.657 2.475 18.709 1.00 0.00 N ATOM 0 H ASN A 167 51.585 4.925 15.726 1.00 0.00 H new ATOM 0 HA ASN A 167 53.188 3.256 17.492 1.00 0.00 H new ATOM 0 HB2 ASN A 167 50.496 2.440 16.333 1.00 0.00 H new ATOM 0 HB3 ASN A 167 51.741 1.254 16.671 1.00 0.00 H new ATOM 0 HD21 ASN A 167 49.328 2.426 19.673 1.00 0.00 H new ATOM 0 HD22 ASN A 167 49.017 2.751 17.965 1.00 0.00 H new ATOM 400 N LEU A 168 54.379 2.495 15.389 1.00 0.00 N ATOM 401 CA LEU A 168 55.176 2.092 14.216 1.00 0.00 C ATOM 402 C LEU A 168 56.008 0.842 14.551 1.00 0.00 C ATOM 403 O LEU A 168 55.612 -0.262 14.182 1.00 0.00 O ATOM 404 CB LEU A 168 56.073 3.254 13.697 1.00 0.00 C ATOM 405 CG LEU A 168 55.429 4.636 13.451 1.00 0.00 C ATOM 406 CD1 LEU A 168 55.532 5.517 14.706 1.00 0.00 C ATOM 407 CD2 LEU A 168 56.177 5.347 12.322 1.00 0.00 C ATOM 0 H LEU A 168 54.873 2.341 16.268 1.00 0.00 H new ATOM 0 HA LEU A 168 54.490 1.845 13.406 1.00 0.00 H new ATOM 0 HB2 LEU A 168 56.884 3.390 14.412 1.00 0.00 H new ATOM 0 HB3 LEU A 168 56.526 2.929 12.760 1.00 0.00 H new ATOM 0 HG LEU A 168 54.381 4.482 13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 168 55.072 6.485 14.509 1.00 0.00 H new ATOM 0 HD12 LEU A 168 55.016 5.032 15.535 1.00 0.00 H new ATOM 0 HD13 LEU A 168 56.581 5.660 14.965 1.00 0.00 H new ATOM 0 HD21 LEU A 168 55.726 6.323 12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 168 57.222 5.476 12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 168 56.117 4.749 11.413 1.00 0.00 H new ATOM 419 N THR A 169 57.120 1.026 15.276 1.00 0.00 N ATOM 420 CA THR A 169 58.086 0.009 15.729 1.00 0.00 C ATOM 421 C THR A 169 59.074 0.668 16.679 1.00 0.00 C ATOM 422 O THR A 169 59.502 1.795 16.437 1.00 0.00 O ATOM 423 CB THR A 169 58.796 -0.674 14.546 1.00 0.00 C ATOM 424 OG1 THR A 169 59.612 -1.698 15.067 1.00 0.00 O ATOM 425 CG2 THR A 169 59.668 0.245 13.693 1.00 0.00 C ATOM 0 H THR A 169 57.390 1.959 15.586 1.00 0.00 H new ATOM 0 HA THR A 169 57.555 -0.784 16.255 1.00 0.00 H new ATOM 0 HB THR A 169 58.010 -1.038 13.884 1.00 0.00 H new ATOM 0 HG1 THR A 169 59.950 -2.252 14.333 1.00 0.00 H new ATOM 0 HG21 THR A 169 60.124 -0.331 12.887 1.00 0.00 H new ATOM 0 HG22 THR A 169 59.054 1.039 13.269 1.00 0.00 H new ATOM 0 HG23 THR A 169 60.450 0.683 14.313 1.00 0.00 H new ATOM 433 N TYR A 170 59.455 -0.023 17.752 1.00 0.00 N ATOM 434 CA TYR A 170 60.387 0.500 18.762 1.00 0.00 C ATOM 435 C TYR A 170 61.801 0.784 18.204 1.00 0.00 C ATOM 436 O TYR A 170 62.587 1.487 18.833 1.00 0.00 O ATOM 437 CB TYR A 170 60.428 -0.479 19.946 1.00 0.00 C ATOM 438 CG TYR A 170 61.149 0.046 21.174 1.00 0.00 C ATOM 439 CD1 TYR A 170 60.468 0.870 22.092 1.00 0.00 C ATOM 440 CD2 TYR A 170 62.500 -0.283 21.401 1.00 0.00 C ATOM 441 CE1 TYR A 170 61.130 1.367 23.231 1.00 0.00 C ATOM 442 CE2 TYR A 170 63.173 0.218 22.532 1.00 0.00 C ATOM 443 CZ TYR A 170 62.489 1.045 23.451 1.00 0.00 C ATOM 444 OH TYR A 170 63.143 1.519 24.550 1.00 0.00 O ATOM 0 H TYR A 170 59.126 -0.968 17.951 1.00 0.00 H new ATOM 0 HA TYR A 170 60.018 1.470 19.095 1.00 0.00 H new ATOM 0 HB2 TYR A 170 59.406 -0.737 20.223 1.00 0.00 H new ATOM 0 HB3 TYR A 170 60.912 -1.400 19.622 1.00 0.00 H new ATOM 0 HD1 TYR A 170 59.432 1.122 21.921 1.00 0.00 H new ATOM 0 HD2 TYR A 170 63.022 -0.922 20.704 1.00 0.00 H new ATOM 0 HE1 TYR A 170 60.601 1.993 23.935 1.00 0.00 H new ATOM 0 HE2 TYR A 170 64.211 -0.030 22.697 1.00 0.00 H new ATOM 0 HH TYR A 170 64.069 1.199 24.543 1.00 0.00 H new ATOM 454 N ASP A 171 62.112 0.285 17.003 1.00 0.00 N ATOM 455 CA ASP A 171 63.368 0.532 16.283 1.00 0.00 C ATOM 456 C ASP A 171 63.324 1.791 15.383 1.00 0.00 C ATOM 457 O ASP A 171 64.307 2.115 14.717 1.00 0.00 O ATOM 458 CB ASP A 171 63.714 -0.737 15.485 1.00 0.00 C ATOM 459 CG ASP A 171 65.167 -0.754 14.978 1.00 0.00 C ATOM 460 OD1 ASP A 171 66.097 -0.621 15.809 1.00 0.00 O ATOM 461 OD2 ASP A 171 65.377 -0.961 13.758 1.00 0.00 O ATOM 0 H ASP A 171 61.475 -0.323 16.487 1.00 0.00 H new ATOM 0 HA ASP A 171 64.152 0.746 17.009 1.00 0.00 H new ATOM 0 HB2 ASP A 171 63.544 -1.611 16.113 1.00 0.00 H new ATOM 0 HB3 ASP A 171 63.038 -0.820 14.634 1.00 0.00 H new ATOM 466 N SER A 172 62.199 2.517 15.339 1.00 0.00 N ATOM 467 CA SER A 172 62.035 3.697 14.473 1.00 0.00 C ATOM 468 C SER A 172 62.713 4.965 15.027 1.00 0.00 C ATOM 469 O SER A 172 62.873 5.131 16.241 1.00 0.00 O ATOM 470 CB SER A 172 60.549 3.957 14.199 1.00 0.00 C ATOM 471 OG SER A 172 60.414 4.838 13.096 1.00 0.00 O ATOM 0 H SER A 172 61.376 2.304 15.902 1.00 0.00 H new ATOM 0 HA SER A 172 62.543 3.464 13.537 1.00 0.00 H new ATOM 0 HB2 SER A 172 60.038 3.017 13.991 1.00 0.00 H new ATOM 0 HB3 SER A 172 60.076 4.388 15.081 1.00 0.00 H new ATOM 0 HG SER A 172 59.463 5.001 12.922 1.00 0.00 H new ATOM 477 N THR A 173 63.103 5.876 14.125 1.00 0.00 N ATOM 478 CA THR A 173 63.830 7.133 14.401 1.00 0.00 C ATOM 479 C THR A 173 63.489 8.162 13.307 1.00 0.00 C ATOM 480 O THR A 173 63.012 7.763 12.242 1.00 0.00 O ATOM 481 CB THR A 173 65.355 6.901 14.562 1.00 0.00 C ATOM 482 OG1 THR A 173 65.752 5.599 14.193 1.00 0.00 O ATOM 483 CG2 THR A 173 65.786 7.095 16.020 1.00 0.00 C ATOM 0 H THR A 173 62.912 5.754 13.130 1.00 0.00 H new ATOM 0 HA THR A 173 63.503 7.534 15.360 1.00 0.00 H new ATOM 0 HB THR A 173 65.828 7.629 13.903 1.00 0.00 H new ATOM 0 HG1 THR A 173 66.131 5.616 13.289 1.00 0.00 H new ATOM 0 HG21 THR A 173 66.859 6.927 16.108 1.00 0.00 H new ATOM 0 HG22 THR A 173 65.551 8.111 16.337 1.00 0.00 H new ATOM 0 HG23 THR A 173 65.255 6.385 16.654 1.00 0.00 H new ATOM 491 N PRO A 174 63.680 9.479 13.532 1.00 0.00 N ATOM 492 CA PRO A 174 63.121 10.505 12.651 1.00 0.00 C ATOM 493 C PRO A 174 63.826 10.586 11.290 1.00 0.00 C ATOM 494 O PRO A 174 63.182 10.936 10.304 1.00 0.00 O ATOM 495 CB PRO A 174 63.223 11.813 13.437 1.00 0.00 C ATOM 496 CG PRO A 174 64.422 11.598 14.357 1.00 0.00 C ATOM 497 CD PRO A 174 64.356 10.101 14.666 1.00 0.00 C ATOM 0 HA PRO A 174 62.089 10.270 12.390 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.375 12.666 12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.314 12.009 14.005 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.358 11.868 13.869 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.349 12.200 15.262 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.355 9.687 14.798 1.00 0.00 H new ATOM 0 HD3 PRO A 174 63.810 9.919 15.592 1.00 0.00 H new ATOM 505 N GLU A 175 65.106 10.206 11.194 1.00 0.00 N ATOM 506 CA GLU A 175 65.816 10.115 9.909 1.00 0.00 C ATOM 507 C GLU A 175 65.246 8.991 9.026 1.00 0.00 C ATOM 508 O GLU A 175 65.147 9.150 7.809 1.00 0.00 O ATOM 509 CB GLU A 175 67.318 9.884 10.142 1.00 0.00 C ATOM 510 CG GLU A 175 67.994 11.064 10.852 1.00 0.00 C ATOM 511 CD GLU A 175 69.501 10.819 11.015 1.00 0.00 C ATOM 512 OE1 GLU A 175 70.278 11.168 10.094 1.00 0.00 O ATOM 513 OE2 GLU A 175 69.923 10.287 12.070 1.00 0.00 O ATOM 0 H GLU A 175 65.678 9.954 12.000 1.00 0.00 H new ATOM 0 HA GLU A 175 65.673 11.061 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.455 8.981 10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.808 9.712 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 175 67.830 11.978 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 175 67.538 11.213 11.831 1.00 0.00 H new ATOM 520 N ASP A 176 64.805 7.883 9.632 1.00 0.00 N ATOM 521 CA ASP A 176 64.184 6.756 8.931 1.00 0.00 C ATOM 522 C ASP A 176 62.793 7.134 8.409 1.00 0.00 C ATOM 523 O ASP A 176 62.470 6.836 7.258 1.00 0.00 O ATOM 524 CB ASP A 176 64.098 5.535 9.856 1.00 0.00 C ATOM 525 CG ASP A 176 65.475 5.117 10.389 1.00 0.00 C ATOM 526 OD1 ASP A 176 66.207 4.402 9.661 1.00 0.00 O ATOM 527 OD2 ASP A 176 65.809 5.492 11.539 1.00 0.00 O ATOM 0 H ASP A 176 64.871 7.743 10.640 1.00 0.00 H new ATOM 0 HA ASP A 176 64.808 6.502 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 176 63.439 5.761 10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.651 4.701 9.315 1.00 0.00 H new ATOM 532 N LEU A 177 62.000 7.865 9.209 1.00 0.00 N ATOM 533 CA LEU A 177 60.748 8.460 8.734 1.00 0.00 C ATOM 534 C LEU A 177 60.970 9.552 7.691 1.00 0.00 C ATOM 535 O LEU A 177 60.127 9.697 6.808 1.00 0.00 O ATOM 536 CB LEU A 177 59.902 8.994 9.904 1.00 0.00 C ATOM 537 CG LEU A 177 59.168 7.913 10.722 1.00 0.00 C ATOM 538 CD1 LEU A 177 58.196 8.615 11.682 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.388 6.928 9.833 1.00 0.00 C ATOM 0 H LEU A 177 62.208 8.056 10.189 1.00 0.00 H new ATOM 0 HA LEU A 177 60.197 7.657 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 177 60.551 9.558 10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.165 9.694 9.510 1.00 0.00 H new ATOM 0 HG LEU A 177 59.913 7.331 11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 177 57.665 7.868 12.272 1.00 0.00 H new ATOM 0 HD12 LEU A 177 58.754 9.274 12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 177 57.479 9.202 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 177 57.890 6.188 10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.643 7.473 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 177 59.078 6.425 9.156 1.00 0.00 H new ATOM 551 N THR A 178 62.095 10.276 7.727 1.00 0.00 N ATOM 552 CA THR A 178 62.422 11.271 6.694 1.00 0.00 C ATOM 553 C THR A 178 62.738 10.569 5.380 1.00 0.00 C ATOM 554 O THR A 178 62.150 10.922 4.364 1.00 0.00 O ATOM 555 CB THR A 178 63.553 12.207 7.130 1.00 0.00 C ATOM 556 OG1 THR A 178 63.183 12.845 8.330 1.00 0.00 O ATOM 557 CG2 THR A 178 63.769 13.310 6.095 1.00 0.00 C ATOM 0 H THR A 178 62.797 10.192 8.462 1.00 0.00 H new ATOM 0 HA THR A 178 61.549 11.906 6.544 1.00 0.00 H new ATOM 0 HB THR A 178 64.459 11.613 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.309 12.228 9.081 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.577 13.964 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.031 12.863 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 178 62.853 13.891 5.986 1.00 0.00 H new ATOM 565 N GLU A 179 63.590 9.542 5.395 1.00 0.00 N ATOM 566 CA GLU A 179 63.931 8.755 4.201 1.00 0.00 C ATOM 567 C GLU A 179 62.703 8.045 3.588 1.00 0.00 C ATOM 568 O GLU A 179 62.598 7.929 2.363 1.00 0.00 O ATOM 569 CB GLU A 179 65.038 7.751 4.571 1.00 0.00 C ATOM 570 CG GLU A 179 65.613 7.027 3.347 1.00 0.00 C ATOM 571 CD GLU A 179 66.788 6.121 3.740 1.00 0.00 C ATOM 572 OE1 GLU A 179 67.949 6.599 3.752 1.00 0.00 O ATOM 573 OE2 GLU A 179 66.566 4.919 4.022 1.00 0.00 O ATOM 0 H GLU A 179 64.068 9.228 6.240 1.00 0.00 H new ATOM 0 HA GLU A 179 64.293 9.434 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.841 8.276 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.637 7.015 5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 179 64.833 6.431 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 179 65.945 7.759 2.611 1.00 0.00 H new ATOM 580 N PHE A 180 61.753 7.618 4.430 1.00 0.00 N ATOM 581 CA PHE A 180 60.496 6.973 4.052 1.00 0.00 C ATOM 582 C PHE A 180 59.498 7.972 3.438 1.00 0.00 C ATOM 583 O PHE A 180 59.127 7.834 2.269 1.00 0.00 O ATOM 584 CB PHE A 180 59.945 6.291 5.315 1.00 0.00 C ATOM 585 CG PHE A 180 58.610 5.585 5.196 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.526 4.336 4.551 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.474 6.117 5.839 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.322 3.610 4.575 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.271 5.390 5.863 1.00 0.00 C ATOM 590 CZ PHE A 180 56.200 4.129 5.243 1.00 0.00 C ATOM 0 H PHE A 180 61.848 7.719 5.441 1.00 0.00 H new ATOM 0 HA PHE A 180 60.665 6.232 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.682 5.564 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 180 59.859 7.046 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.387 3.935 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.528 7.085 6.314 1.00 0.00 H new ATOM 0 HE1 PHE A 180 57.260 2.652 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.402 5.799 6.357 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.283 3.560 5.281 1.00 0.00 H new ATOM 600 N PHE A 181 59.081 8.993 4.199 1.00 0.00 N ATOM 601 CA PHE A 181 58.074 9.966 3.770 1.00 0.00 C ATOM 602 C PHE A 181 58.568 10.933 2.691 1.00 0.00 C ATOM 603 O PHE A 181 57.837 11.234 1.750 1.00 0.00 O ATOM 604 CB PHE A 181 57.531 10.726 4.992 1.00 0.00 C ATOM 605 CG PHE A 181 56.459 9.994 5.781 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.216 9.729 5.176 1.00 0.00 C ATOM 607 CD2 PHE A 181 56.664 9.637 7.128 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.184 9.123 5.910 1.00 0.00 C ATOM 609 CE2 PHE A 181 55.630 9.020 7.861 1.00 0.00 C ATOM 610 CZ PHE A 181 54.385 8.769 7.251 1.00 0.00 C ATOM 0 H PHE A 181 59.438 9.166 5.139 1.00 0.00 H new ATOM 0 HA PHE A 181 57.269 9.401 3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.363 10.950 5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.125 11.680 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 181 55.055 9.993 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 181 57.615 9.836 7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.232 8.929 5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 181 55.792 8.739 8.891 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.589 8.306 7.815 1.00 0.00 H new ATOM 620 N SER A 182 59.809 11.407 2.780 1.00 0.00 N ATOM 621 CA SER A 182 60.332 12.436 1.864 1.00 0.00 C ATOM 622 C SER A 182 60.626 11.916 0.444 1.00 0.00 C ATOM 623 O SER A 182 60.857 12.713 -0.461 1.00 0.00 O ATOM 624 CB SER A 182 61.541 13.168 2.468 1.00 0.00 C ATOM 625 OG SER A 182 61.626 14.492 1.958 1.00 0.00 O ATOM 0 H SER A 182 60.481 11.096 3.481 1.00 0.00 H new ATOM 0 HA SER A 182 59.526 13.160 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 182 61.452 13.195 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.456 12.623 2.237 1.00 0.00 H new ATOM 0 HG SER A 182 61.409 14.489 1.002 1.00 0.00 H new ATOM 631 N GLN A 183 60.530 10.600 0.206 1.00 0.00 N ATOM 632 CA GLN A 183 60.514 9.993 -1.121 1.00 0.00 C ATOM 633 C GLN A 183 59.329 10.487 -1.989 1.00 0.00 C ATOM 634 O GLN A 183 59.371 10.390 -3.216 1.00 0.00 O ATOM 635 CB GLN A 183 60.471 8.469 -0.897 1.00 0.00 C ATOM 636 CG GLN A 183 61.086 7.719 -2.074 1.00 0.00 C ATOM 637 CD GLN A 183 61.077 6.201 -1.876 1.00 0.00 C ATOM 638 OE1 GLN A 183 60.301 5.469 -2.481 1.00 0.00 O ATOM 639 NE2 GLN A 183 61.938 5.665 -1.032 1.00 0.00 N ATOM 0 H GLN A 183 60.460 9.914 0.957 1.00 0.00 H new ATOM 0 HA GLN A 183 61.402 10.282 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 183 61.008 8.218 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 183 59.438 8.149 -0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 183 60.538 7.966 -2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 183 62.112 8.057 -2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 183 62.590 6.261 -0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 183 61.952 4.655 -0.890 1.00 0.00 H new ATOM 648 N ILE A 184 58.290 11.060 -1.364 1.00 0.00 N ATOM 649 CA ILE A 184 57.116 11.670 -2.020 1.00 0.00 C ATOM 650 C ILE A 184 57.408 13.086 -2.562 1.00 0.00 C ATOM 651 O ILE A 184 56.767 13.529 -3.520 1.00 0.00 O ATOM 652 CB ILE A 184 55.952 11.684 -0.995 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.583 10.263 -0.502 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.692 12.406 -1.499 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.851 9.379 -1.517 1.00 0.00 C ATOM 0 H ILE A 184 58.239 11.115 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 184 56.845 11.076 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 184 56.338 12.258 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 184 56.498 9.755 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.960 10.357 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.922 12.375 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.934 13.444 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 184 54.325 11.912 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.641 8.408 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.914 9.856 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 184 55.476 9.244 -2.400 1.00 0.00 H new ATOM 667 N GLY A 185 58.379 13.797 -1.973 1.00 0.00 N ATOM 668 CA GLY A 185 58.659 15.214 -2.241 1.00 0.00 C ATOM 669 C GLY A 185 59.584 15.833 -1.197 1.00 0.00 C ATOM 670 O GLY A 185 60.805 15.718 -1.306 1.00 0.00 O ATOM 0 H GLY A 185 59.008 13.392 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 185 59.113 15.311 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.721 15.768 -2.265 1.00 0.00 H new ATOM 674 N LYS A 186 59.005 16.493 -0.185 1.00 0.00 N ATOM 675 CA LYS A 186 59.743 17.183 0.889 1.00 0.00 C ATOM 676 C LYS A 186 59.071 17.032 2.271 1.00 0.00 C ATOM 677 O LYS A 186 58.053 17.668 2.552 1.00 0.00 O ATOM 678 CB LYS A 186 59.926 18.676 0.534 1.00 0.00 C ATOM 679 CG LYS A 186 60.929 18.899 -0.610 1.00 0.00 C ATOM 680 CD LYS A 186 61.223 20.382 -0.888 1.00 0.00 C ATOM 681 CE LYS A 186 62.023 21.045 0.246 1.00 0.00 C ATOM 682 NZ LYS A 186 62.432 22.433 -0.104 1.00 0.00 N ATOM 0 H LYS A 186 57.992 16.565 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 186 60.720 16.705 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 186 58.961 19.098 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 186 60.265 19.216 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 186 61.863 18.391 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 186 60.541 18.437 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 186 61.780 20.470 -1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 186 60.283 20.916 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 186 61.420 21.062 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 186 62.909 20.449 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 62.969 22.846 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 63.028 22.415 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 61.585 23.009 -0.286 1.00 0.00 H new ATOM 696 N VAL A 187 59.706 16.268 3.165 1.00 0.00 N ATOM 697 CA VAL A 187 59.559 16.432 4.628 1.00 0.00 C ATOM 698 C VAL A 187 60.392 17.655 5.033 1.00 0.00 C ATOM 699 O VAL A 187 61.537 17.779 4.600 1.00 0.00 O ATOM 700 CB VAL A 187 60.054 15.186 5.405 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.272 15.428 6.910 1.00 0.00 C ATOM 702 CG2 VAL A 187 59.061 14.028 5.270 1.00 0.00 C ATOM 0 H VAL A 187 60.340 15.514 2.901 1.00 0.00 H new ATOM 0 HA VAL A 187 58.505 16.561 4.873 1.00 0.00 H new ATOM 0 HB VAL A 187 61.017 14.947 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 187 60.618 14.507 7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 187 61.019 16.209 7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 187 59.333 15.739 7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.431 13.165 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.094 14.330 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 187 58.951 13.764 4.218 1.00 0.00 H new ATOM 712 N VAL A 188 59.835 18.529 5.875 1.00 0.00 N ATOM 713 CA VAL A 188 60.561 19.669 6.483 1.00 0.00 C ATOM 714 C VAL A 188 60.951 19.438 7.952 1.00 0.00 C ATOM 715 O VAL A 188 61.882 20.084 8.428 1.00 0.00 O ATOM 716 CB VAL A 188 59.824 21.021 6.321 1.00 0.00 C ATOM 717 CG1 VAL A 188 60.148 21.617 4.943 1.00 0.00 C ATOM 718 CG2 VAL A 188 58.300 20.934 6.497 1.00 0.00 C ATOM 0 H VAL A 188 58.858 18.473 6.163 1.00 0.00 H new ATOM 0 HA VAL A 188 61.487 19.729 5.910 1.00 0.00 H new ATOM 0 HB VAL A 188 60.185 21.663 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 188 59.630 22.569 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 188 61.223 21.776 4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 188 59.821 20.929 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 188 57.862 21.924 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 188 57.886 20.254 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 188 58.070 20.563 7.496 1.00 0.00 H new ATOM 728 N ARG A 189 60.313 18.474 8.633 1.00 0.00 N ATOM 729 CA ARG A 189 60.688 17.982 9.971 1.00 0.00 C ATOM 730 C ARG A 189 60.081 16.599 10.242 1.00 0.00 C ATOM 731 O ARG A 189 58.908 16.385 9.959 1.00 0.00 O ATOM 732 CB ARG A 189 60.212 18.977 11.057 1.00 0.00 C ATOM 733 CG ARG A 189 61.353 19.796 11.677 1.00 0.00 C ATOM 734 CD ARG A 189 60.795 20.750 12.739 1.00 0.00 C ATOM 735 NE ARG A 189 61.864 21.535 13.382 1.00 0.00 N ATOM 736 CZ ARG A 189 61.688 22.462 14.317 1.00 0.00 C ATOM 737 NH1 ARG A 189 60.490 22.766 14.775 1.00 0.00 N ATOM 738 NH2 ARG A 189 62.725 23.105 14.809 1.00 0.00 N ATOM 0 H ARG A 189 59.493 17.998 8.256 1.00 0.00 H new ATOM 0 HA ARG A 189 61.774 17.897 10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 189 59.482 19.658 10.620 1.00 0.00 H new ATOM 0 HB3 ARG A 189 59.701 18.425 11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 189 62.089 19.129 12.126 1.00 0.00 H new ATOM 0 HG3 ARG A 189 61.868 20.363 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 189 60.074 21.426 12.279 1.00 0.00 H new ATOM 0 HD3 ARG A 189 60.258 20.178 13.496 1.00 0.00 H new ATOM 0 HE ARG A 189 62.822 21.350 13.083 1.00 0.00 H new ATOM 0 HH11 ARG A 189 59.668 22.285 14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 189 60.385 23.482 15.493 1.00 0.00 H new ATOM 0 HH21 ARG A 189 63.664 22.892 14.472 1.00 0.00 H new ATOM 0 HH22 ARG A 189 62.590 23.817 15.527 1.00 0.00 H new ATOM 752 N ALA A 190 60.842 15.688 10.841 1.00 0.00 N ATOM 753 CA ALA A 190 60.346 14.492 11.536 1.00 0.00 C ATOM 754 C ALA A 190 60.865 14.455 12.987 1.00 0.00 C ATOM 755 O ALA A 190 61.936 14.996 13.279 1.00 0.00 O ATOM 756 CB ALA A 190 60.780 13.248 10.750 1.00 0.00 C ATOM 0 H ALA A 190 61.859 15.760 10.860 1.00 0.00 H new ATOM 0 HA ALA A 190 59.257 14.516 11.586 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.418 12.353 11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.363 13.290 9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 190 61.868 13.216 10.691 1.00 0.00 H new ATOM 762 N ASP A 191 60.122 13.816 13.895 1.00 0.00 N ATOM 763 CA ASP A 191 60.435 13.764 15.330 1.00 0.00 C ATOM 764 C ASP A 191 59.885 12.495 16.008 1.00 0.00 C ATOM 765 O ASP A 191 58.746 12.098 15.766 1.00 0.00 O ATOM 766 CB ASP A 191 59.897 15.033 16.013 1.00 0.00 C ATOM 767 CG ASP A 191 60.310 15.107 17.491 1.00 0.00 C ATOM 768 OD1 ASP A 191 61.525 14.984 17.779 1.00 0.00 O ATOM 769 OD2 ASP A 191 59.421 15.302 18.353 1.00 0.00 O ATOM 0 H ASP A 191 59.270 13.311 13.651 1.00 0.00 H new ATOM 0 HA ASP A 191 61.519 13.721 15.439 1.00 0.00 H new ATOM 0 HB2 ASP A 191 60.268 15.913 15.488 1.00 0.00 H new ATOM 0 HB3 ASP A 191 58.810 15.052 15.938 1.00 0.00 H new ATOM 774 N ILE A 192 60.703 11.877 16.872 1.00 0.00 N ATOM 775 CA ILE A 192 60.390 10.655 17.652 1.00 0.00 C ATOM 776 C ILE A 192 61.059 10.691 19.038 1.00 0.00 C ATOM 777 O ILE A 192 60.388 10.483 20.051 1.00 0.00 O ATOM 778 CB ILE A 192 60.773 9.357 16.871 1.00 0.00 C ATOM 779 CG1 ILE A 192 59.787 9.104 15.702 1.00 0.00 C ATOM 780 CG2 ILE A 192 60.872 8.119 17.797 1.00 0.00 C ATOM 781 CD1 ILE A 192 59.936 7.757 14.982 1.00 0.00 C ATOM 0 H ILE A 192 61.643 12.225 17.060 1.00 0.00 H new ATOM 0 HA ILE A 192 59.311 10.635 17.804 1.00 0.00 H new ATOM 0 HB ILE A 192 61.767 9.517 16.453 1.00 0.00 H new ATOM 0 HG12 ILE A 192 58.770 9.178 16.087 1.00 0.00 H new ATOM 0 HG13 ILE A 192 59.909 9.902 14.969 1.00 0.00 H new ATOM 0 HG21 ILE A 192 61.141 7.243 17.206 1.00 0.00 H new ATOM 0 HG22 ILE A 192 61.635 8.292 18.556 1.00 0.00 H new ATOM 0 HG23 ILE A 192 59.910 7.949 18.281 1.00 0.00 H new ATOM 0 HD11 ILE A 192 59.197 7.687 14.184 1.00 0.00 H new ATOM 0 HD12 ILE A 192 60.937 7.680 14.558 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.780 6.945 15.693 1.00 0.00 H new ATOM 933 N MET A 202 57.193 6.180 18.228 1.00 0.00 N ATOM 934 CA MET A 202 56.023 7.042 17.971 1.00 0.00 C ATOM 935 C MET A 202 56.420 8.528 17.897 1.00 0.00 C ATOM 936 O MET A 202 57.484 8.908 18.391 1.00 0.00 O ATOM 937 CB MET A 202 54.895 6.758 18.981 1.00 0.00 C ATOM 938 CG MET A 202 55.245 7.001 20.460 1.00 0.00 C ATOM 939 SD MET A 202 55.451 8.722 21.008 1.00 0.00 S ATOM 940 CE MET A 202 53.791 9.370 20.686 1.00 0.00 C ATOM 0 HA MET A 202 55.623 6.795 16.988 1.00 0.00 H new ATOM 0 HB2 MET A 202 54.037 7.379 18.723 1.00 0.00 H new ATOM 0 HB3 MET A 202 54.583 5.720 18.867 1.00 0.00 H new ATOM 0 HG2 MET A 202 54.463 6.547 21.069 1.00 0.00 H new ATOM 0 HG3 MET A 202 56.170 6.467 20.678 1.00 0.00 H new ATOM 0 HE1 MET A 202 53.671 10.329 21.189 1.00 0.00 H new ATOM 0 HE2 MET A 202 53.654 9.503 19.613 1.00 0.00 H new ATOM 0 HE3 MET A 202 53.047 8.668 21.062 1.00 0.00 H new ATOM 950 N GLY A 203 55.604 9.359 17.232 1.00 0.00 N ATOM 951 CA GLY A 203 55.911 10.777 16.991 1.00 0.00 C ATOM 952 C GLY A 203 55.172 11.416 15.810 1.00 0.00 C ATOM 953 O GLY A 203 54.003 11.104 15.565 1.00 0.00 O ATOM 0 H GLY A 203 54.708 9.065 16.844 1.00 0.00 H new ATOM 0 HA2 GLY A 203 55.676 11.341 17.894 1.00 0.00 H new ATOM 0 HA3 GLY A 203 56.984 10.876 16.824 1.00 0.00 H new ATOM 957 N THR A 204 55.846 12.335 15.103 1.00 0.00 N ATOM 958 CA THR A 204 55.233 13.350 14.216 1.00 0.00 C ATOM 959 C THR A 204 56.114 13.619 12.994 1.00 0.00 C ATOM 960 O THR A 204 57.337 13.529 13.087 1.00 0.00 O ATOM 961 CB THR A 204 55.018 14.662 15.000 1.00 0.00 C ATOM 962 OG1 THR A 204 54.370 14.396 16.224 1.00 0.00 O ATOM 963 CG2 THR A 204 54.135 15.676 14.266 1.00 0.00 C ATOM 0 H THR A 204 56.864 12.399 15.129 1.00 0.00 H new ATOM 0 HA THR A 204 54.274 12.966 13.868 1.00 0.00 H new ATOM 0 HB THR A 204 56.015 15.081 15.133 1.00 0.00 H new ATOM 0 HG1 THR A 204 54.240 15.235 16.714 1.00 0.00 H new ATOM 0 HG21 THR A 204 54.027 16.573 14.876 1.00 0.00 H new ATOM 0 HG22 THR A 204 54.596 15.938 13.314 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.153 15.240 14.086 1.00 0.00 H new ATOM 971 N VAL A 205 55.504 13.991 11.863 1.00 0.00 N ATOM 972 CA VAL A 205 56.203 14.420 10.628 1.00 0.00 C ATOM 973 C VAL A 205 55.486 15.621 9.982 1.00 0.00 C ATOM 974 O VAL A 205 54.268 15.751 10.083 1.00 0.00 O ATOM 975 CB VAL A 205 56.377 13.256 9.614 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.297 13.620 8.436 1.00 0.00 C ATOM 977 CG2 VAL A 205 56.924 11.965 10.253 1.00 0.00 C ATOM 0 H VAL A 205 54.488 14.005 11.770 1.00 0.00 H new ATOM 0 HA VAL A 205 57.205 14.735 10.918 1.00 0.00 H new ATOM 0 HB VAL A 205 55.365 13.078 9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.380 12.767 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 205 56.879 14.470 7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.286 13.881 8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.021 11.194 9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 205 57.901 12.163 10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.238 11.624 11.028 1.00 0.00 H new ATOM 987 N GLU A 206 56.240 16.511 9.332 1.00 0.00 N ATOM 988 CA GLU A 206 55.796 17.788 8.762 1.00 0.00 C ATOM 989 C GLU A 206 56.292 17.948 7.317 1.00 0.00 C ATOM 990 O GLU A 206 57.469 17.725 7.023 1.00 0.00 O ATOM 991 CB GLU A 206 56.320 18.963 9.609 1.00 0.00 C ATOM 992 CG GLU A 206 55.920 18.893 11.087 1.00 0.00 C ATOM 993 CD GLU A 206 56.245 20.212 11.802 1.00 0.00 C ATOM 994 OE1 GLU A 206 55.426 21.158 11.720 1.00 0.00 O ATOM 995 OE2 GLU A 206 57.314 20.313 12.449 1.00 0.00 O ATOM 0 H GLU A 206 57.236 16.351 9.180 1.00 0.00 H new ATOM 0 HA GLU A 206 54.706 17.792 8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 206 57.407 18.992 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 206 55.948 19.896 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 206 54.854 18.682 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 206 56.447 18.071 11.573 1.00 0.00 H new ATOM 1002 N PHE A 207 55.395 18.368 6.424 1.00 0.00 N ATOM 1003 CA PHE A 207 55.582 18.486 4.973 1.00 0.00 C ATOM 1004 C PHE A 207 55.367 19.933 4.492 1.00 0.00 C ATOM 1005 O PHE A 207 54.787 20.766 5.197 1.00 0.00 O ATOM 1006 CB PHE A 207 54.565 17.577 4.266 1.00 0.00 C ATOM 1007 CG PHE A 207 54.860 16.089 4.231 1.00 0.00 C ATOM 1008 CD1 PHE A 207 54.825 15.319 5.411 1.00 0.00 C ATOM 1009 CD2 PHE A 207 55.040 15.449 2.986 1.00 0.00 C ATOM 1010 CE1 PHE A 207 54.920 13.922 5.339 1.00 0.00 C ATOM 1011 CE2 PHE A 207 55.119 14.048 2.913 1.00 0.00 C ATOM 1012 CZ PHE A 207 55.021 13.289 4.089 1.00 0.00 C ATOM 0 H PHE A 207 54.459 18.653 6.710 1.00 0.00 H new ATOM 0 HA PHE A 207 56.604 18.192 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 207 53.597 17.717 4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 207 54.462 17.924 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 207 54.725 15.805 6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 207 55.117 16.039 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 207 54.916 13.333 6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 207 55.254 13.559 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 207 55.023 12.210 4.033 1.00 0.00 H new ATOM 1022 N THR A 208 55.813 20.220 3.261 1.00 0.00 N ATOM 1023 CA THR A 208 55.767 21.564 2.662 1.00 0.00 C ATOM 1024 C THR A 208 54.371 22.003 2.213 1.00 0.00 C ATOM 1025 O THR A 208 54.031 23.166 2.429 1.00 0.00 O ATOM 1026 CB THR A 208 56.727 21.642 1.471 1.00 0.00 C ATOM 1027 OG1 THR A 208 56.470 20.557 0.607 1.00 0.00 O ATOM 1028 CG2 THR A 208 58.190 21.569 1.895 1.00 0.00 C ATOM 0 H THR A 208 56.221 19.517 2.644 1.00 0.00 H new ATOM 0 HA THR A 208 56.070 22.250 3.453 1.00 0.00 H new ATOM 0 HB THR A 208 56.561 22.601 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 208 57.078 20.598 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 208 58.828 21.629 1.013 1.00 0.00 H new ATOM 0 HG22 THR A 208 58.417 22.399 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 208 58.372 20.627 2.412 1.00 0.00 H new ATOM 1036 N ASN A 209 53.546 21.106 1.652 1.00 0.00 N ATOM 1037 CA ASN A 209 52.253 21.458 1.031 1.00 0.00 C ATOM 1038 C ASN A 209 51.190 20.355 1.096 1.00 0.00 C ATOM 1039 O ASN A 209 51.510 19.169 1.041 1.00 0.00 O ATOM 1040 CB ASN A 209 52.431 21.823 -0.460 1.00 0.00 C ATOM 1041 CG ASN A 209 53.481 22.887 -0.763 1.00 0.00 C ATOM 1042 OD1 ASN A 209 53.307 24.065 -0.477 1.00 0.00 O ATOM 1043 ND2 ASN A 209 54.574 22.510 -1.402 1.00 0.00 N ATOM 0 H ASN A 209 53.756 20.108 1.615 1.00 0.00 H new ATOM 0 HA ASN A 209 51.904 22.306 1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 209 52.691 20.917 -1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 209 51.472 22.166 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 209 55.278 23.201 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 209 54.714 21.527 -1.638 1.00 0.00 H new ATOM 1050 N SER A 210 49.918 20.767 1.086 1.00 0.00 N ATOM 1051 CA SER A 210 48.724 19.912 0.956 1.00 0.00 C ATOM 1052 C SER A 210 48.761 18.994 -0.287 1.00 0.00 C ATOM 1053 O SER A 210 48.409 17.817 -0.196 1.00 0.00 O ATOM 1054 CB SER A 210 47.470 20.803 0.916 1.00 0.00 C ATOM 1055 OG SER A 210 47.581 21.822 -0.071 1.00 0.00 O ATOM 0 H SER A 210 49.677 21.754 1.172 1.00 0.00 H new ATOM 0 HA SER A 210 48.702 19.252 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 210 46.594 20.189 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 210 47.316 21.259 1.894 1.00 0.00 H new ATOM 0 HG SER A 210 46.767 22.368 -0.070 1.00 0.00 H new ATOM 1061 N ASP A 211 49.242 19.503 -1.429 1.00 0.00 N ATOM 1062 CA ASP A 211 49.367 18.740 -2.679 1.00 0.00 C ATOM 1063 C ASP A 211 50.559 17.765 -2.695 1.00 0.00 C ATOM 1064 O ASP A 211 50.518 16.788 -3.443 1.00 0.00 O ATOM 1065 CB ASP A 211 49.458 19.698 -3.876 1.00 0.00 C ATOM 1066 CG ASP A 211 48.094 20.306 -4.229 1.00 0.00 C ATOM 1067 OD1 ASP A 211 47.241 19.565 -4.774 1.00 0.00 O ATOM 1068 OD2 ASP A 211 47.892 21.520 -3.988 1.00 0.00 O ATOM 0 H ASP A 211 49.559 20.469 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 211 48.468 18.128 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 211 50.163 20.497 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 211 49.851 19.163 -4.740 1.00 0.00 H new ATOM 1073 N ASP A 212 51.598 18.006 -1.885 1.00 0.00 N ATOM 1074 CA ASP A 212 52.683 17.046 -1.636 1.00 0.00 C ATOM 1075 C ASP A 212 52.286 15.961 -0.615 1.00 0.00 C ATOM 1076 O ASP A 212 52.455 14.769 -0.870 1.00 0.00 O ATOM 1077 CB ASP A 212 53.953 17.781 -1.168 1.00 0.00 C ATOM 1078 CG ASP A 212 54.650 18.553 -2.301 1.00 0.00 C ATOM 1079 OD1 ASP A 212 55.210 17.904 -3.217 1.00 0.00 O ATOM 1080 OD2 ASP A 212 54.669 19.807 -2.257 1.00 0.00 O ATOM 0 H ASP A 212 51.711 18.884 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 212 52.886 16.540 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 212 53.691 18.475 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 212 54.650 17.058 -0.746 1.00 0.00 H new ATOM 1085 N VAL A 213 51.770 16.377 0.545 1.00 0.00 N ATOM 1086 CA VAL A 213 51.582 15.525 1.734 1.00 0.00 C ATOM 1087 C VAL A 213 50.496 14.459 1.580 1.00 0.00 C ATOM 1088 O VAL A 213 50.720 13.313 1.961 1.00 0.00 O ATOM 1089 CB VAL A 213 51.343 16.383 2.996 1.00 0.00 C ATOM 1090 CG1 VAL A 213 50.056 17.219 2.938 1.00 0.00 C ATOM 1091 CG2 VAL A 213 51.387 15.554 4.289 1.00 0.00 C ATOM 0 H VAL A 213 51.462 17.338 0.692 1.00 0.00 H new ATOM 0 HA VAL A 213 52.515 14.973 1.848 1.00 0.00 H new ATOM 0 HB VAL A 213 52.177 17.085 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 213 49.955 17.795 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 213 50.102 17.899 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 213 49.197 16.557 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 213 51.213 16.206 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 213 50.615 14.786 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 213 52.365 15.082 4.385 1.00 0.00 H new ATOM 1101 N ASP A 214 49.341 14.786 0.991 1.00 0.00 N ATOM 1102 CA ASP A 214 48.203 13.854 0.926 1.00 0.00 C ATOM 1103 C ASP A 214 48.437 12.668 -0.034 1.00 0.00 C ATOM 1104 O ASP A 214 47.738 11.657 0.042 1.00 0.00 O ATOM 1105 CB ASP A 214 46.923 14.627 0.583 1.00 0.00 C ATOM 1106 CG ASP A 214 45.654 13.799 0.853 1.00 0.00 C ATOM 1107 OD1 ASP A 214 45.432 13.406 2.023 1.00 0.00 O ATOM 1108 OD2 ASP A 214 44.850 13.604 -0.091 1.00 0.00 O ATOM 0 H ASP A 214 49.166 15.690 0.551 1.00 0.00 H new ATOM 0 HA ASP A 214 48.092 13.401 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 214 46.887 15.545 1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 214 46.947 14.919 -0.467 1.00 0.00 H new ATOM 1113 N ARG A 215 49.475 12.753 -0.880 1.00 0.00 N ATOM 1114 CA ARG A 215 49.929 11.658 -1.756 1.00 0.00 C ATOM 1115 C ARG A 215 50.652 10.540 -0.982 1.00 0.00 C ATOM 1116 O ARG A 215 50.787 9.427 -1.490 1.00 0.00 O ATOM 1117 CB ARG A 215 50.869 12.194 -2.857 1.00 0.00 C ATOM 1118 CG ARG A 215 50.447 13.514 -3.522 1.00 0.00 C ATOM 1119 CD ARG A 215 49.084 13.472 -4.222 1.00 0.00 C ATOM 1120 NE ARG A 215 48.712 14.823 -4.677 1.00 0.00 N ATOM 1121 CZ ARG A 215 47.695 15.148 -5.467 1.00 0.00 C ATOM 1122 NH1 ARG A 215 46.893 14.238 -5.983 1.00 0.00 N ATOM 1123 NH2 ARG A 215 47.468 16.411 -5.752 1.00 0.00 N ATOM 0 H ARG A 215 50.034 13.600 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 215 49.030 11.233 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 215 51.861 12.329 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 215 50.959 11.433 -3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 215 50.427 14.297 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 215 51.206 13.796 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 215 49.123 12.790 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 215 48.326 13.087 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 215 49.298 15.591 -4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 215 47.044 13.250 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 215 46.121 14.522 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 215 48.072 17.137 -5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 215 46.688 16.665 -6.358 1.00 0.00 H new ATOM 1137 N ALA A 216 51.136 10.827 0.232 1.00 0.00 N ATOM 1138 CA ALA A 216 51.961 9.916 1.028 1.00 0.00 C ATOM 1139 C ALA A 216 51.128 8.876 1.785 1.00 0.00 C ATOM 1140 O ALA A 216 51.262 7.677 1.572 1.00 0.00 O ATOM 1141 CB ALA A 216 52.821 10.771 1.980 1.00 0.00 C ATOM 0 H ALA A 216 50.960 11.718 0.696 1.00 0.00 H new ATOM 0 HA ALA A 216 52.602 9.335 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.448 10.119 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.452 11.441 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 216 52.171 11.358 2.629 1.00 0.00 H new ATOM 1147 N ILE A 217 50.248 9.330 2.679 1.00 0.00 N ATOM 1148 CA ILE A 217 49.685 8.490 3.759 1.00 0.00 C ATOM 1149 C ILE A 217 48.743 7.403 3.220 1.00 0.00 C ATOM 1150 O ILE A 217 48.745 6.290 3.744 1.00 0.00 O ATOM 1151 CB ILE A 217 49.071 9.393 4.859 1.00 0.00 C ATOM 1152 CG1 ILE A 217 50.166 10.320 5.455 1.00 0.00 C ATOM 1153 CG2 ILE A 217 48.442 8.553 5.983 1.00 0.00 C ATOM 1154 CD1 ILE A 217 50.135 11.729 4.843 1.00 0.00 C ATOM 0 H ILE A 217 49.900 10.289 2.682 1.00 0.00 H new ATOM 0 HA ILE A 217 50.488 7.925 4.233 1.00 0.00 H new ATOM 0 HB ILE A 217 48.287 9.996 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 217 50.030 10.392 6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 217 51.147 9.875 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 217 48.020 9.215 6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 217 47.653 7.925 5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 217 49.207 7.923 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.919 12.338 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 217 50.299 11.662 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 217 49.165 12.188 5.034 1.00 0.00 H new ATOM 1166 N ARG A 218 48.078 7.658 2.086 1.00 0.00 N ATOM 1167 CA ARG A 218 47.294 6.663 1.332 1.00 0.00 C ATOM 1168 C ARG A 218 48.123 5.440 0.875 1.00 0.00 C ATOM 1169 O ARG A 218 47.557 4.373 0.627 1.00 0.00 O ATOM 1170 CB ARG A 218 46.621 7.385 0.146 1.00 0.00 C ATOM 1171 CG ARG A 218 45.570 6.532 -0.583 1.00 0.00 C ATOM 1172 CD ARG A 218 44.821 7.356 -1.638 1.00 0.00 C ATOM 1173 NE ARG A 218 43.838 6.530 -2.365 1.00 0.00 N ATOM 1174 CZ ARG A 218 42.590 6.253 -1.997 1.00 0.00 C ATOM 1175 NH1 ARG A 218 42.067 6.702 -0.873 1.00 0.00 N ATOM 1176 NH2 ARG A 218 41.836 5.504 -2.775 1.00 0.00 N ATOM 0 H ARG A 218 48.068 8.582 1.655 1.00 0.00 H new ATOM 0 HA ARG A 218 46.538 6.241 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 218 46.147 8.297 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 218 47.389 7.687 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 218 46.056 5.681 -1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 218 44.860 6.130 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 218 44.312 8.191 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 218 45.534 7.782 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 218 44.150 6.126 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 218 42.624 7.285 -0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 218 41.105 6.466 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 218 42.210 5.141 -3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 218 40.878 5.287 -2.501 1.00 0.00 H new ATOM 1190 N GLN A 219 49.453 5.568 0.790 1.00 0.00 N ATOM 1191 CA GLN A 219 50.385 4.494 0.422 1.00 0.00 C ATOM 1192 C GLN A 219 51.102 3.877 1.642 1.00 0.00 C ATOM 1193 O GLN A 219 51.748 2.837 1.494 1.00 0.00 O ATOM 1194 CB GLN A 219 51.435 5.041 -0.565 1.00 0.00 C ATOM 1195 CG GLN A 219 50.830 5.685 -1.826 1.00 0.00 C ATOM 1196 CD GLN A 219 51.915 6.099 -2.823 1.00 0.00 C ATOM 1197 OE1 GLN A 219 52.558 5.274 -3.463 1.00 0.00 O ATOM 1198 NE2 GLN A 219 52.162 7.381 -3.005 1.00 0.00 N ATOM 0 H GLN A 219 49.926 6.451 0.982 1.00 0.00 H new ATOM 0 HA GLN A 219 49.795 3.702 -0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 219 52.052 5.779 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 219 52.095 4.228 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 219 50.147 4.982 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 219 50.243 6.558 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 219 51.637 8.081 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 219 52.878 7.673 -3.670 1.00 0.00 H new ATOM 1207 N TYR A 220 50.998 4.483 2.835 1.00 0.00 N ATOM 1208 CA TYR A 220 51.847 4.161 3.995 1.00 0.00 C ATOM 1209 C TYR A 220 51.098 3.803 5.292 1.00 0.00 C ATOM 1210 O TYR A 220 51.660 3.097 6.130 1.00 0.00 O ATOM 1211 CB TYR A 220 52.789 5.340 4.274 1.00 0.00 C ATOM 1212 CG TYR A 220 53.773 5.723 3.179 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.477 4.746 2.443 1.00 0.00 C ATOM 1214 CD2 TYR A 220 54.041 7.085 2.950 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.432 5.133 1.483 1.00 0.00 C ATOM 1216 CE2 TYR A 220 55.001 7.482 2.005 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.704 6.502 1.266 1.00 0.00 C ATOM 1218 OH TYR A 220 56.646 6.867 0.352 1.00 0.00 O ATOM 0 H TYR A 220 50.316 5.217 3.024 1.00 0.00 H new ATOM 0 HA TYR A 220 52.385 3.257 3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 220 52.178 6.214 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.359 5.110 5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.283 3.698 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.501 7.835 3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.957 4.382 0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 220 55.202 8.531 1.843 1.00 0.00 H new ATOM 0 HH TYR A 220 57.461 7.151 0.817 1.00 0.00 H new ATOM 1228 N ASP A 221 49.848 4.230 5.490 1.00 0.00 N ATOM 1229 CA ASP A 221 49.057 3.779 6.639 1.00 0.00 C ATOM 1230 C ASP A 221 48.768 2.270 6.514 1.00 0.00 C ATOM 1231 O ASP A 221 48.204 1.820 5.510 1.00 0.00 O ATOM 1232 CB ASP A 221 47.777 4.611 6.759 1.00 0.00 C ATOM 1233 CG ASP A 221 47.018 4.266 8.046 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.516 4.629 9.138 1.00 0.00 O ATOM 1235 OD2 ASP A 221 45.939 3.634 7.960 1.00 0.00 O ATOM 0 H ASP A 221 49.364 4.883 4.874 1.00 0.00 H new ATOM 0 HA ASP A 221 49.623 3.929 7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 221 48.026 5.672 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 221 47.138 4.429 5.895 1.00 0.00 H new ATOM 1240 N GLY A 222 49.208 1.480 7.503 1.00 0.00 N ATOM 1241 CA GLY A 222 49.220 0.012 7.426 1.00 0.00 C ATOM 1242 C GLY A 222 50.524 -0.598 6.926 1.00 0.00 C ATOM 1243 O GLY A 222 50.586 -1.822 6.822 1.00 0.00 O ATOM 0 H GLY A 222 49.568 1.844 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.005 -0.390 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.411 -0.309 6.769 1.00 0.00 H new ATOM 1247 N ALA A 223 51.552 0.200 6.613 1.00 0.00 N ATOM 1248 CA ALA A 223 52.881 -0.327 6.308 1.00 0.00 C ATOM 1249 C ALA A 223 53.437 -1.115 7.508 1.00 0.00 C ATOM 1250 O ALA A 223 53.801 -0.553 8.542 1.00 0.00 O ATOM 1251 CB ALA A 223 53.825 0.809 5.877 1.00 0.00 C ATOM 0 H ALA A 223 51.485 1.217 6.565 1.00 0.00 H new ATOM 0 HA ALA A 223 52.803 -1.021 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 223 54.810 0.399 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.425 1.297 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 223 53.910 1.537 6.683 1.00 0.00 H new ATOM 1257 N PHE A 224 53.512 -2.437 7.358 1.00 0.00 N ATOM 1258 CA PHE A 224 54.453 -3.271 8.109 1.00 0.00 C ATOM 1259 C PHE A 224 55.892 -2.777 7.864 1.00 0.00 C ATOM 1260 O PHE A 224 56.340 -2.652 6.722 1.00 0.00 O ATOM 1261 CB PHE A 224 54.267 -4.747 7.734 1.00 0.00 C ATOM 1262 CG PHE A 224 52.992 -5.361 8.286 1.00 0.00 C ATOM 1263 CD1 PHE A 224 51.793 -5.304 7.549 1.00 0.00 C ATOM 1264 CD2 PHE A 224 53.002 -5.983 9.551 1.00 0.00 C ATOM 1265 CE1 PHE A 224 50.619 -5.882 8.063 1.00 0.00 C ATOM 1266 CE2 PHE A 224 51.827 -6.558 10.066 1.00 0.00 C ATOM 1267 CZ PHE A 224 50.635 -6.513 9.321 1.00 0.00 C ATOM 0 H PHE A 224 52.922 -2.961 6.712 1.00 0.00 H new ATOM 0 HA PHE A 224 54.255 -3.187 9.178 1.00 0.00 H new ATOM 0 HB2 PHE A 224 54.264 -4.839 6.648 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.122 -5.316 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 224 51.775 -4.815 6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 224 53.915 -6.018 10.126 1.00 0.00 H new ATOM 0 HE1 PHE A 224 49.703 -5.842 7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 224 51.840 -7.035 11.035 1.00 0.00 H new ATOM 0 HZ PHE A 224 49.734 -6.961 9.713 1.00 0.00 H new ATOM 1277 N PHE A 225 56.592 -2.463 8.954 1.00 0.00 N ATOM 1278 CA PHE A 225 57.797 -1.635 9.001 1.00 0.00 C ATOM 1279 C PHE A 225 58.691 -2.201 10.115 1.00 0.00 C ATOM 1280 O PHE A 225 58.322 -2.166 11.291 1.00 0.00 O ATOM 1281 CB PHE A 225 57.312 -0.200 9.271 1.00 0.00 C ATOM 1282 CG PHE A 225 58.299 0.938 9.096 1.00 0.00 C ATOM 1283 CD1 PHE A 225 59.439 1.049 9.917 1.00 0.00 C ATOM 1284 CD2 PHE A 225 58.019 1.952 8.159 1.00 0.00 C ATOM 1285 CE1 PHE A 225 60.301 2.153 9.785 1.00 0.00 C ATOM 1286 CE2 PHE A 225 58.872 3.060 8.038 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.018 3.161 8.845 1.00 0.00 C ATOM 0 H PHE A 225 56.319 -2.798 9.878 1.00 0.00 H new ATOM 0 HA PHE A 225 58.386 -1.633 8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 225 56.463 -0.007 8.615 1.00 0.00 H new ATOM 0 HB3 PHE A 225 56.939 -0.162 10.295 1.00 0.00 H new ATOM 0 HD1 PHE A 225 59.652 0.284 10.650 1.00 0.00 H new ATOM 0 HD2 PHE A 225 57.144 1.876 7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 225 61.181 2.227 10.406 1.00 0.00 H new ATOM 0 HE2 PHE A 225 58.647 3.837 7.323 1.00 0.00 H new ATOM 0 HZ PHE A 225 60.679 4.009 8.744 1.00 0.00 H new ATOM 1297 N MET A 226 59.823 -2.808 9.739 1.00 0.00 N ATOM 1298 CA MET A 226 60.615 -3.695 10.620 1.00 0.00 C ATOM 1299 C MET A 226 59.730 -4.771 11.295 1.00 0.00 C ATOM 1300 O MET A 226 59.843 -5.030 12.493 1.00 0.00 O ATOM 1301 CB MET A 226 61.453 -2.878 11.627 1.00 0.00 C ATOM 1302 CG MET A 226 62.347 -1.821 10.959 1.00 0.00 C ATOM 1303 SD MET A 226 63.494 -2.423 9.685 1.00 0.00 S ATOM 1304 CE MET A 226 64.609 -3.424 10.703 1.00 0.00 C ATOM 0 H MET A 226 60.224 -2.701 8.807 1.00 0.00 H new ATOM 0 HA MET A 226 61.325 -4.241 9.999 1.00 0.00 H new ATOM 0 HB2 MET A 226 60.783 -2.384 12.331 1.00 0.00 H new ATOM 0 HB3 MET A 226 62.078 -3.559 12.206 1.00 0.00 H new ATOM 0 HG2 MET A 226 61.704 -1.064 10.510 1.00 0.00 H new ATOM 0 HG3 MET A 226 62.929 -1.325 11.736 1.00 0.00 H new ATOM 0 HE1 MET A 226 65.399 -3.840 10.077 1.00 0.00 H new ATOM 0 HE2 MET A 226 65.052 -2.800 11.479 1.00 0.00 H new ATOM 0 HE3 MET A 226 64.048 -4.236 11.166 1.00 0.00 H new ATOM 1314 N ASP A 227 58.797 -5.341 10.513 1.00 0.00 N ATOM 1315 CA ASP A 227 57.827 -6.400 10.867 1.00 0.00 C ATOM 1316 C ASP A 227 56.603 -5.922 11.683 1.00 0.00 C ATOM 1317 O ASP A 227 55.735 -6.732 12.003 1.00 0.00 O ATOM 1318 CB ASP A 227 58.537 -7.602 11.527 1.00 0.00 C ATOM 1319 CG ASP A 227 57.679 -8.878 11.514 1.00 0.00 C ATOM 1320 OD1 ASP A 227 57.499 -9.467 10.421 1.00 0.00 O ATOM 1321 OD2 ASP A 227 57.205 -9.297 12.598 1.00 0.00 O ATOM 0 H ASP A 227 58.691 -5.053 9.540 1.00 0.00 H new ATOM 0 HA ASP A 227 57.398 -6.726 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 227 59.475 -7.795 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 227 58.789 -7.349 12.557 1.00 0.00 H new ATOM 1326 N ARG A 228 56.496 -4.628 12.019 1.00 0.00 N ATOM 1327 CA ARG A 228 55.419 -4.067 12.858 1.00 0.00 C ATOM 1328 C ARG A 228 54.620 -2.988 12.108 1.00 0.00 C ATOM 1329 O ARG A 228 55.177 -2.174 11.376 1.00 0.00 O ATOM 1330 CB ARG A 228 56.023 -3.478 14.143 1.00 0.00 C ATOM 1331 CG ARG A 228 56.819 -4.438 15.046 1.00 0.00 C ATOM 1332 CD ARG A 228 55.973 -5.507 15.752 1.00 0.00 C ATOM 1333 NE ARG A 228 55.751 -6.699 14.913 1.00 0.00 N ATOM 1334 CZ ARG A 228 55.063 -7.785 15.243 1.00 0.00 C ATOM 1335 NH1 ARG A 228 54.387 -7.876 16.370 1.00 0.00 N ATOM 1336 NH2 ARG A 228 55.058 -8.808 14.420 1.00 0.00 N ATOM 0 H ARG A 228 57.168 -3.925 11.710 1.00 0.00 H new ATOM 0 HA ARG A 228 54.729 -4.873 13.110 1.00 0.00 H new ATOM 0 HB2 ARG A 228 56.680 -2.655 13.862 1.00 0.00 H new ATOM 0 HB3 ARG A 228 55.212 -3.052 14.734 1.00 0.00 H new ATOM 0 HG2 ARG A 228 57.579 -4.936 14.443 1.00 0.00 H new ATOM 0 HG3 ARG A 228 57.344 -3.853 15.801 1.00 0.00 H new ATOM 0 HD2 ARG A 228 56.468 -5.805 16.676 1.00 0.00 H new ATOM 0 HD3 ARG A 228 55.010 -5.078 16.030 1.00 0.00 H new ATOM 0 HE ARG A 228 56.169 -6.688 13.983 1.00 0.00 H new ATOM 0 HH11 ARG A 228 54.380 -7.094 17.025 1.00 0.00 H new ATOM 0 HH12 ARG A 228 53.870 -8.728 16.587 1.00 0.00 H new ATOM 0 HH21 ARG A 228 55.577 -8.760 13.543 1.00 0.00 H new ATOM 0 HH22 ARG A 228 54.535 -9.651 14.657 1.00 0.00 H new ATOM 1350 N LYS A 229 53.293 -2.991 12.237 1.00 0.00 N ATOM 1351 CA LYS A 229 52.385 -2.159 11.439 1.00 0.00 C ATOM 1352 C LYS A 229 52.295 -0.696 11.935 1.00 0.00 C ATOM 1353 O LYS A 229 51.762 -0.436 13.016 1.00 0.00 O ATOM 1354 CB LYS A 229 51.038 -2.889 11.456 1.00 0.00 C ATOM 1355 CG LYS A 229 50.051 -2.325 10.434 1.00 0.00 C ATOM 1356 CD LYS A 229 48.853 -3.272 10.357 1.00 0.00 C ATOM 1357 CE LYS A 229 47.806 -2.716 9.393 1.00 0.00 C ATOM 1358 NZ LYS A 229 46.622 -3.612 9.277 1.00 0.00 N ATOM 0 H LYS A 229 52.807 -3.582 12.911 1.00 0.00 H new ATOM 0 HA LYS A 229 52.756 -2.045 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 229 51.200 -3.948 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 229 50.603 -2.818 12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 229 49.728 -1.326 10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 229 50.526 -2.232 9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 229 49.179 -4.257 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 229 48.416 -3.399 11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 229 47.484 -1.733 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 229 48.255 -2.580 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 45.937 -3.197 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 46.924 -4.543 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 46.177 -3.722 10.211 1.00 0.00 H new ATOM 1372 N ILE A 230 52.787 0.274 11.152 1.00 0.00 N ATOM 1373 CA ILE A 230 52.568 1.711 11.388 1.00 0.00 C ATOM 1374 C ILE A 230 51.109 2.138 11.174 1.00 0.00 C ATOM 1375 O ILE A 230 50.438 1.670 10.251 1.00 0.00 O ATOM 1376 CB ILE A 230 53.572 2.616 10.615 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.089 3.037 9.206 1.00 0.00 C ATOM 1378 CG2 ILE A 230 54.976 1.985 10.529 1.00 0.00 C ATOM 1379 CD1 ILE A 230 54.111 3.882 8.430 1.00 0.00 C ATOM 0 H ILE A 230 53.355 0.082 10.327 1.00 0.00 H new ATOM 0 HA ILE A 230 52.777 1.866 12.447 1.00 0.00 H new ATOM 0 HB ILE A 230 53.631 3.527 11.211 1.00 0.00 H new ATOM 0 HG12 ILE A 230 52.857 2.142 8.628 1.00 0.00 H new ATOM 0 HG13 ILE A 230 52.162 3.602 9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 230 55.642 2.652 9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.366 1.828 11.534 1.00 0.00 H new ATOM 0 HG23 ILE A 230 54.914 1.028 10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 230 53.703 4.139 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.325 4.795 8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 230 55.031 3.312 8.301 1.00 0.00 H new ATOM 1391 N PHE A 231 50.656 3.081 12.003 1.00 0.00 N ATOM 1392 CA PHE A 231 49.342 3.716 11.922 1.00 0.00 C ATOM 1393 C PHE A 231 49.497 5.237 12.033 1.00 0.00 C ATOM 1394 O PHE A 231 50.168 5.727 12.943 1.00 0.00 O ATOM 1395 CB PHE A 231 48.435 3.184 13.038 1.00 0.00 C ATOM 1396 CG PHE A 231 48.060 1.717 12.918 1.00 0.00 C ATOM 1397 CD1 PHE A 231 47.003 1.330 12.072 1.00 0.00 C ATOM 1398 CD2 PHE A 231 48.747 0.741 13.666 1.00 0.00 C ATOM 1399 CE1 PHE A 231 46.622 -0.021 11.988 1.00 0.00 C ATOM 1400 CE2 PHE A 231 48.368 -0.612 13.579 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.300 -0.991 12.748 1.00 0.00 C ATOM 0 H PHE A 231 51.217 3.436 12.778 1.00 0.00 H new ATOM 0 HA PHE A 231 48.884 3.479 10.962 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.933 3.339 13.995 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.520 3.777 13.055 1.00 0.00 H new ATOM 0 HD1 PHE A 231 46.483 2.073 11.486 1.00 0.00 H new ATOM 0 HD2 PHE A 231 49.566 1.031 14.307 1.00 0.00 H new ATOM 0 HE1 PHE A 231 45.809 -0.314 11.340 1.00 0.00 H new ATOM 0 HE2 PHE A 231 48.898 -1.359 14.151 1.00 0.00 H new ATOM 0 HZ PHE A 231 47.000 -2.027 12.693 1.00 0.00 H new ATOM 1411 N VAL A 232 48.877 5.967 11.107 1.00 0.00 N ATOM 1412 CA VAL A 232 49.034 7.414 10.873 1.00 0.00 C ATOM 1413 C VAL A 232 47.684 8.116 11.074 1.00 0.00 C ATOM 1414 O VAL A 232 46.632 7.550 10.769 1.00 0.00 O ATOM 1415 CB VAL A 232 49.491 7.697 9.415 1.00 0.00 C ATOM 1416 CG1 VAL A 232 49.931 9.169 9.240 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.606 6.761 8.900 1.00 0.00 C ATOM 0 H VAL A 232 48.211 5.546 10.459 1.00 0.00 H new ATOM 0 HA VAL A 232 49.782 7.784 11.574 1.00 0.00 H new ATOM 0 HB VAL A 232 48.609 7.494 8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 232 50.245 9.335 8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 232 49.096 9.829 9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 232 50.763 9.382 9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 232 50.863 7.030 7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 232 51.487 6.862 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 232 50.256 5.729 8.927 1.00 0.00 H new ATOM 1427 N ARG A 233 47.721 9.385 11.486 1.00 0.00 N ATOM 1428 CA ARG A 233 46.640 10.347 11.246 1.00 0.00 C ATOM 1429 C ARG A 233 47.216 11.669 10.732 1.00 0.00 C ATOM 1430 O ARG A 233 48.330 12.051 11.095 1.00 0.00 O ATOM 1431 CB ARG A 233 45.767 10.544 12.501 1.00 0.00 C ATOM 1432 CG ARG A 233 46.507 11.199 13.679 1.00 0.00 C ATOM 1433 CD ARG A 233 45.537 11.682 14.765 1.00 0.00 C ATOM 1434 NE ARG A 233 46.228 12.524 15.762 1.00 0.00 N ATOM 1435 CZ ARG A 233 46.649 13.775 15.588 1.00 0.00 C ATOM 1436 NH1 ARG A 233 46.484 14.438 14.465 1.00 0.00 N ATOM 1437 NH2 ARG A 233 47.272 14.404 16.557 1.00 0.00 N ATOM 0 H ARG A 233 48.509 9.779 12.000 1.00 0.00 H new ATOM 0 HA ARG A 233 45.983 9.944 10.475 1.00 0.00 H new ATOM 0 HB2 ARG A 233 44.905 11.158 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 233 45.383 9.575 12.820 1.00 0.00 H new ATOM 0 HG2 ARG A 233 47.208 10.484 14.110 1.00 0.00 H new ATOM 0 HG3 ARG A 233 47.094 12.042 13.315 1.00 0.00 H new ATOM 0 HD2 ARG A 233 44.726 12.248 14.306 1.00 0.00 H new ATOM 0 HD3 ARG A 233 45.085 10.823 15.261 1.00 0.00 H new ATOM 0 HE ARG A 233 46.400 12.105 16.676 1.00 0.00 H new ATOM 0 HH11 ARG A 233 46.014 13.995 13.675 1.00 0.00 H new ATOM 0 HH12 ARG A 233 46.826 15.396 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 233 47.435 13.934 17.448 1.00 0.00 H new ATOM 0 HH22 ARG A 233 47.593 15.362 16.419 1.00 0.00 H new