USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 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 60:sc= 1.16 USER MOD Set 1.2: A 209 ASN : amide:sc= 0.969 K(o=2.1,f=-0.6) USER MOD Single : A 162 SER OG : rot -157:sc= 1.25 USER MOD Single : A 167 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.5) USER MOD Single : A 169 THR OG1 : rot 111:sc= 1.26 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot -92:sc= 1.27 USER MOD Single : A 173 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 178 THR OG1 : rot 68:sc= 0.944 USER MOD Single : A 182 SER OG : rot 180:sc= 0.551 USER MOD Single : A 183 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 180:sc= 0 (180deg=0) 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=0.000866 X(o=0.00087,f=0) USER MOD Single : A 220 TYR OH : rot -96:sc= 0.134 USER MOD Single : A 226 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 51.463 18.984 7.730 1.00 0.00 N ATOM 314 CA SER A 162 52.078 18.130 8.757 1.00 0.00 C ATOM 315 C SER A 162 51.140 16.989 9.193 1.00 0.00 C ATOM 316 O SER A 162 49.923 17.160 9.261 1.00 0.00 O ATOM 317 CB SER A 162 52.481 18.969 9.988 1.00 0.00 C ATOM 318 OG SER A 162 53.329 20.050 9.632 1.00 0.00 O ATOM 0 HA SER A 162 52.968 17.684 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 162 51.585 19.354 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 162 52.988 18.332 10.712 1.00 0.00 H new ATOM 0 HG SER A 162 53.848 20.330 10.415 1.00 0.00 H new ATOM 324 N ILE A 163 51.709 15.817 9.500 1.00 0.00 N ATOM 325 CA ILE A 163 50.999 14.546 9.745 1.00 0.00 C ATOM 326 C ILE A 163 51.488 13.883 11.048 1.00 0.00 C ATOM 327 O ILE A 163 52.660 14.026 11.410 1.00 0.00 O ATOM 328 CB ILE A 163 51.185 13.591 8.535 1.00 0.00 C ATOM 329 CG1 ILE A 163 52.671 13.265 8.243 1.00 0.00 C ATOM 330 CG2 ILE A 163 50.538 14.161 7.256 1.00 0.00 C ATOM 331 CD1 ILE A 163 52.879 11.808 7.835 1.00 0.00 C ATOM 0 H ILE A 163 52.720 15.719 9.589 1.00 0.00 H new ATOM 0 HA ILE A 163 49.936 14.759 9.861 1.00 0.00 H new ATOM 0 HB ILE A 163 50.683 12.666 8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.034 13.917 7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.268 13.480 9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 163 50.689 13.465 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 163 49.470 14.303 7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 163 50.998 15.119 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 163 53.937 11.632 7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 163 52.543 11.153 8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 163 52.305 11.597 6.932 1.00 0.00 H new ATOM 343 N PHE A 164 50.611 13.129 11.719 1.00 0.00 N ATOM 344 CA PHE A 164 50.889 12.401 12.966 1.00 0.00 C ATOM 345 C PHE A 164 50.913 10.886 12.730 1.00 0.00 C ATOM 346 O PHE A 164 50.069 10.359 12.012 1.00 0.00 O ATOM 347 CB PHE A 164 49.839 12.788 14.021 1.00 0.00 C ATOM 348 CG PHE A 164 49.899 11.943 15.281 1.00 0.00 C ATOM 349 CD1 PHE A 164 50.867 12.204 16.269 1.00 0.00 C ATOM 350 CD2 PHE A 164 49.029 10.845 15.437 1.00 0.00 C ATOM 351 CE1 PHE A 164 50.979 11.365 17.391 1.00 0.00 C ATOM 352 CE2 PHE A 164 49.140 10.006 16.559 1.00 0.00 C ATOM 353 CZ PHE A 164 50.121 10.261 17.532 1.00 0.00 C ATOM 0 H PHE A 164 49.651 13.003 11.398 1.00 0.00 H new ATOM 0 HA PHE A 164 51.878 12.680 13.331 1.00 0.00 H new ATOM 0 HB2 PHE A 164 49.976 13.835 14.290 1.00 0.00 H new ATOM 0 HB3 PHE A 164 48.845 12.699 13.582 1.00 0.00 H new ATOM 0 HD1 PHE A 164 51.527 13.053 16.164 1.00 0.00 H new ATOM 0 HD2 PHE A 164 48.274 10.648 14.691 1.00 0.00 H new ATOM 0 HE1 PHE A 164 51.725 11.569 18.145 1.00 0.00 H new ATOM 0 HE2 PHE A 164 48.471 9.166 16.673 1.00 0.00 H new ATOM 0 HZ PHE A 164 50.216 9.609 18.388 1.00 0.00 H new ATOM 363 N VAL A 165 51.864 10.192 13.354 1.00 0.00 N ATOM 364 CA VAL A 165 52.207 8.784 13.107 1.00 0.00 C ATOM 365 C VAL A 165 52.172 8.027 14.438 1.00 0.00 C ATOM 366 O VAL A 165 52.762 8.478 15.421 1.00 0.00 O ATOM 367 CB VAL A 165 53.606 8.664 12.453 1.00 0.00 C ATOM 368 CG1 VAL A 165 53.953 7.207 12.097 1.00 0.00 C ATOM 369 CG2 VAL A 165 53.726 9.509 11.170 1.00 0.00 C ATOM 0 H VAL A 165 52.445 10.611 14.080 1.00 0.00 H new ATOM 0 HA VAL A 165 51.482 8.351 12.418 1.00 0.00 H new ATOM 0 HB VAL A 165 54.305 9.038 13.201 1.00 0.00 H new ATOM 0 HG11 VAL A 165 54.942 7.170 11.641 1.00 0.00 H new ATOM 0 HG12 VAL A 165 53.948 6.600 13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 165 53.215 6.818 11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 165 54.725 9.391 10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 165 52.985 9.175 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 165 53.554 10.559 11.408 1.00 0.00 H new ATOM 379 N GLY A 166 51.485 6.881 14.450 1.00 0.00 N ATOM 380 CA GLY A 166 51.342 5.973 15.595 1.00 0.00 C ATOM 381 C GLY A 166 52.623 5.197 15.916 1.00 0.00 C ATOM 382 O GLY A 166 53.708 5.574 15.489 1.00 0.00 O ATOM 0 H GLY A 166 50.990 6.544 13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 166 51.045 6.549 16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 166 50.538 5.266 15.391 1.00 0.00 H new ATOM 386 N ASN A 167 52.525 4.131 16.708 1.00 0.00 N ATOM 387 CA ASN A 167 53.648 3.574 17.477 1.00 0.00 C ATOM 388 C ASN A 167 54.814 2.919 16.694 1.00 0.00 C ATOM 389 O ASN A 167 55.874 2.737 17.297 1.00 0.00 O ATOM 390 CB ASN A 167 53.097 2.636 18.569 1.00 0.00 C ATOM 391 CG ASN A 167 52.495 1.321 18.062 1.00 0.00 C ATOM 392 OD1 ASN A 167 52.412 1.039 16.872 1.00 0.00 O ATOM 393 ND2 ASN A 167 52.076 0.458 18.973 1.00 0.00 N ATOM 0 H ASN A 167 51.653 3.619 16.839 1.00 0.00 H new ATOM 0 HA ASN A 167 54.141 4.447 17.905 1.00 0.00 H new ATOM 0 HB2 ASN A 167 53.903 2.403 19.265 1.00 0.00 H new ATOM 0 HB3 ASN A 167 52.334 3.172 19.133 1.00 0.00 H new ATOM 0 HD21 ASN A 167 51.685 -0.439 18.684 1.00 0.00 H new ATOM 0 HD22 ASN A 167 52.144 0.690 19.964 1.00 0.00 H new ATOM 400 N LEU A 168 54.668 2.594 15.395 1.00 0.00 N ATOM 401 CA LEU A 168 55.709 1.969 14.539 1.00 0.00 C ATOM 402 C LEU A 168 56.290 0.710 15.247 1.00 0.00 C ATOM 403 O LEU A 168 55.557 -0.255 15.482 1.00 0.00 O ATOM 404 CB LEU A 168 56.812 3.006 14.161 1.00 0.00 C ATOM 405 CG LEU A 168 56.366 4.418 13.727 1.00 0.00 C ATOM 406 CD1 LEU A 168 56.608 5.446 14.840 1.00 0.00 C ATOM 407 CD2 LEU A 168 57.181 4.917 12.533 1.00 0.00 C ATOM 0 H LEU A 168 53.797 2.762 14.892 1.00 0.00 H new ATOM 0 HA LEU A 168 55.259 1.641 13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 168 57.475 3.115 15.019 1.00 0.00 H new ATOM 0 HB3 LEU A 168 57.406 2.581 13.352 1.00 0.00 H new ATOM 0 HG LEU A 168 55.307 4.330 13.483 1.00 0.00 H new ATOM 0 HD11 LEU A 168 56.283 6.430 14.503 1.00 0.00 H new ATOM 0 HD12 LEU A 168 56.042 5.162 15.727 1.00 0.00 H new ATOM 0 HD13 LEU A 168 57.670 5.477 15.082 1.00 0.00 H new ATOM 0 HD21 LEU A 168 56.842 5.914 12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 168 58.236 4.955 12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 168 57.046 4.238 11.691 1.00 0.00 H new ATOM 419 N THR A 169 57.570 0.759 15.651 1.00 0.00 N ATOM 420 CA THR A 169 58.184 -0.008 16.746 1.00 0.00 C ATOM 421 C THR A 169 58.804 0.959 17.755 1.00 0.00 C ATOM 422 O THR A 169 59.212 2.069 17.406 1.00 0.00 O ATOM 423 CB THR A 169 59.250 -0.993 16.243 1.00 0.00 C ATOM 424 OG1 THR A 169 60.276 -0.314 15.559 1.00 0.00 O ATOM 425 CG2 THR A 169 58.656 -2.061 15.330 1.00 0.00 C ATOM 0 H THR A 169 58.244 1.373 15.194 1.00 0.00 H new ATOM 0 HA THR A 169 57.399 -0.598 17.220 1.00 0.00 H new ATOM 0 HB THR A 169 59.662 -1.486 17.124 1.00 0.00 H new ATOM 0 HG1 THR A 169 61.101 -0.352 16.086 1.00 0.00 H new ATOM 0 HG21 THR A 169 59.445 -2.736 14.998 1.00 0.00 H new ATOM 0 HG22 THR A 169 57.901 -2.627 15.875 1.00 0.00 H new ATOM 0 HG23 THR A 169 58.197 -1.585 14.463 1.00 0.00 H new ATOM 433 N TYR A 170 58.904 0.524 19.012 1.00 0.00 N ATOM 434 CA TYR A 170 59.384 1.345 20.137 1.00 0.00 C ATOM 435 C TYR A 170 60.798 1.929 19.929 1.00 0.00 C ATOM 436 O TYR A 170 61.102 3.012 20.433 1.00 0.00 O ATOM 437 CB TYR A 170 59.372 0.480 21.405 1.00 0.00 C ATOM 438 CG TYR A 170 58.020 -0.103 21.774 1.00 0.00 C ATOM 439 CD1 TYR A 170 57.043 0.711 22.380 1.00 0.00 C ATOM 440 CD2 TYR A 170 57.740 -1.460 21.513 1.00 0.00 C ATOM 441 CE1 TYR A 170 55.787 0.173 22.724 1.00 0.00 C ATOM 442 CE2 TYR A 170 56.485 -2.003 21.850 1.00 0.00 C ATOM 443 CZ TYR A 170 55.504 -1.187 22.459 1.00 0.00 C ATOM 444 OH TYR A 170 54.290 -1.707 22.791 1.00 0.00 O ATOM 0 H TYR A 170 58.650 -0.425 19.287 1.00 0.00 H new ATOM 0 HA TYR A 170 58.713 2.200 20.220 1.00 0.00 H new ATOM 0 HB2 TYR A 170 60.080 -0.339 21.274 1.00 0.00 H new ATOM 0 HB3 TYR A 170 59.731 1.082 22.240 1.00 0.00 H new ATOM 0 HD1 TYR A 170 57.257 1.750 22.581 1.00 0.00 H new ATOM 0 HD2 TYR A 170 58.491 -2.085 21.053 1.00 0.00 H new ATOM 0 HE1 TYR A 170 55.041 0.799 23.190 1.00 0.00 H new ATOM 0 HE2 TYR A 170 56.272 -3.041 21.643 1.00 0.00 H new ATOM 0 HH TYR A 170 54.260 -2.654 22.540 1.00 0.00 H new ATOM 454 N ASP A 171 61.636 1.232 19.157 1.00 0.00 N ATOM 455 CA ASP A 171 63.038 1.555 18.865 1.00 0.00 C ATOM 456 C ASP A 171 63.237 2.411 17.595 1.00 0.00 C ATOM 457 O ASP A 171 64.371 2.746 17.249 1.00 0.00 O ATOM 458 CB ASP A 171 63.828 0.239 18.748 1.00 0.00 C ATOM 459 CG ASP A 171 63.548 -0.518 17.434 1.00 0.00 C ATOM 460 OD1 ASP A 171 62.364 -0.831 17.160 1.00 0.00 O ATOM 461 OD2 ASP A 171 64.520 -0.822 16.701 1.00 0.00 O ATOM 0 H ASP A 171 61.337 0.376 18.690 1.00 0.00 H new ATOM 0 HA ASP A 171 63.406 2.168 19.688 1.00 0.00 H new ATOM 0 HB2 ASP A 171 64.894 0.455 18.816 1.00 0.00 H new ATOM 0 HB3 ASP A 171 63.578 -0.404 19.592 1.00 0.00 H new ATOM 466 N SER A 172 62.159 2.754 16.886 1.00 0.00 N ATOM 467 CA SER A 172 62.213 3.524 15.634 1.00 0.00 C ATOM 468 C SER A 172 62.683 4.991 15.809 1.00 0.00 C ATOM 469 O SER A 172 62.644 5.558 16.909 1.00 0.00 O ATOM 470 CB SER A 172 60.853 3.465 14.919 1.00 0.00 C ATOM 471 OG SER A 172 59.824 4.028 15.709 1.00 0.00 O ATOM 0 H SER A 172 61.211 2.503 17.166 1.00 0.00 H new ATOM 0 HA SER A 172 62.976 3.049 15.018 1.00 0.00 H new ATOM 0 HB2 SER A 172 60.917 3.998 13.970 1.00 0.00 H new ATOM 0 HB3 SER A 172 60.608 2.429 14.687 1.00 0.00 H new ATOM 0 HG SER A 172 59.396 3.324 16.239 1.00 0.00 H new ATOM 477 N THR A 173 63.128 5.610 14.700 1.00 0.00 N ATOM 478 CA THR A 173 63.821 6.918 14.657 1.00 0.00 C ATOM 479 C THR A 173 63.397 7.744 13.428 1.00 0.00 C ATOM 480 O THR A 173 62.987 7.161 12.423 1.00 0.00 O ATOM 481 CB THR A 173 65.357 6.741 14.718 1.00 0.00 C ATOM 482 OG1 THR A 173 65.788 5.531 14.128 1.00 0.00 O ATOM 483 CG2 THR A 173 65.845 6.733 16.169 1.00 0.00 C ATOM 0 H THR A 173 63.012 5.201 13.773 1.00 0.00 H new ATOM 0 HA THR A 173 63.518 7.478 15.542 1.00 0.00 H new ATOM 0 HB THR A 173 65.773 7.583 14.165 1.00 0.00 H new ATOM 0 HG1 THR A 173 65.895 5.658 13.162 1.00 0.00 H new ATOM 0 HG21 THR A 173 66.928 6.607 16.188 1.00 0.00 H new ATOM 0 HG22 THR A 173 65.581 7.676 16.647 1.00 0.00 H new ATOM 0 HG23 THR A 173 65.375 5.910 16.707 1.00 0.00 H new ATOM 491 N PRO A 174 63.455 9.094 13.486 1.00 0.00 N ATOM 492 CA PRO A 174 62.802 9.968 12.505 1.00 0.00 C ATOM 493 C PRO A 174 63.558 10.116 11.175 1.00 0.00 C ATOM 494 O PRO A 174 62.944 10.480 10.174 1.00 0.00 O ATOM 495 CB PRO A 174 62.636 11.313 13.219 1.00 0.00 C ATOM 496 CG PRO A 174 63.824 11.355 14.176 1.00 0.00 C ATOM 497 CD PRO A 174 63.976 9.893 14.594 1.00 0.00 C ATOM 0 HA PRO A 174 61.851 9.534 12.196 1.00 0.00 H new ATOM 0 HB2 PRO A 174 62.657 12.146 12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 174 61.688 11.370 13.753 1.00 0.00 H new ATOM 0 HG2 PRO A 174 64.723 11.731 13.688 1.00 0.00 H new ATOM 0 HG3 PRO A 174 63.631 12.002 15.032 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.021 9.651 14.790 1.00 0.00 H new ATOM 0 HD3 PRO A 174 63.424 9.692 15.512 1.00 0.00 H new ATOM 505 N GLU A 175 64.857 9.795 11.115 1.00 0.00 N ATOM 506 CA GLU A 175 65.610 9.757 9.851 1.00 0.00 C ATOM 507 C GLU A 175 65.067 8.660 8.914 1.00 0.00 C ATOM 508 O GLU A 175 64.972 8.847 7.700 1.00 0.00 O ATOM 509 CB GLU A 175 67.098 9.521 10.162 1.00 0.00 C ATOM 510 CG GLU A 175 68.038 9.777 8.974 1.00 0.00 C ATOM 511 CD GLU A 175 68.136 11.270 8.623 1.00 0.00 C ATOM 512 OE1 GLU A 175 68.683 12.050 9.439 1.00 0.00 O ATOM 513 OE2 GLU A 175 67.693 11.676 7.522 1.00 0.00 O ATOM 0 H GLU A 175 65.414 9.555 11.935 1.00 0.00 H new ATOM 0 HA GLU A 175 65.493 10.711 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.392 10.167 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.229 8.493 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 175 69.031 9.395 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 175 67.682 9.224 8.105 1.00 0.00 H new ATOM 520 N ASP A 176 64.631 7.534 9.489 1.00 0.00 N ATOM 521 CA ASP A 176 64.039 6.406 8.771 1.00 0.00 C ATOM 522 C ASP A 176 62.652 6.763 8.211 1.00 0.00 C ATOM 523 O ASP A 176 62.336 6.390 7.080 1.00 0.00 O ATOM 524 CB ASP A 176 63.957 5.187 9.701 1.00 0.00 C ATOM 525 CG ASP A 176 65.312 4.856 10.351 1.00 0.00 C ATOM 526 OD1 ASP A 176 66.090 4.078 9.748 1.00 0.00 O ATOM 527 OD2 ASP A 176 65.582 5.368 11.467 1.00 0.00 O ATOM 0 H ASP A 176 64.683 7.380 10.496 1.00 0.00 H new ATOM 0 HA ASP A 176 64.677 6.163 7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 176 63.219 5.377 10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.608 4.324 9.135 1.00 0.00 H new ATOM 532 N LEU A 177 61.862 7.557 8.954 1.00 0.00 N ATOM 533 CA LEU A 177 60.627 8.155 8.438 1.00 0.00 C ATOM 534 C LEU A 177 60.897 9.209 7.361 1.00 0.00 C ATOM 535 O LEU A 177 60.083 9.343 6.449 1.00 0.00 O ATOM 536 CB LEU A 177 59.796 8.798 9.566 1.00 0.00 C ATOM 537 CG LEU A 177 58.966 7.837 10.437 1.00 0.00 C ATOM 538 CD1 LEU A 177 58.046 8.685 11.328 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.122 6.876 9.582 1.00 0.00 C ATOM 0 H LEU A 177 62.064 7.799 9.924 1.00 0.00 H new ATOM 0 HA LEU A 177 60.064 7.336 7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 177 60.473 9.351 10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.119 9.526 9.119 1.00 0.00 H new ATOM 0 HG LEU A 177 59.640 7.226 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 177 57.444 8.030 11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 177 58.650 9.338 11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 177 57.390 9.290 10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 177 57.551 6.215 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.437 7.450 8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 177 58.779 6.281 8.947 1.00 0.00 H new ATOM 551 N THR A 178 62.019 9.936 7.432 1.00 0.00 N ATOM 552 CA THR A 178 62.383 10.942 6.423 1.00 0.00 C ATOM 553 C THR A 178 62.686 10.250 5.101 1.00 0.00 C ATOM 554 O THR A 178 62.077 10.595 4.089 1.00 0.00 O ATOM 555 CB THR A 178 63.551 11.821 6.888 1.00 0.00 C ATOM 556 OG1 THR A 178 63.220 12.420 8.120 1.00 0.00 O ATOM 557 CG2 THR A 178 63.819 12.952 5.894 1.00 0.00 C ATOM 0 H THR A 178 62.699 9.845 8.187 1.00 0.00 H new ATOM 0 HA THR A 178 61.537 11.614 6.279 1.00 0.00 H new ATOM 0 HB THR A 178 64.433 11.186 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.177 11.732 8.817 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.652 13.559 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.067 12.529 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 178 62.929 13.575 5.803 1.00 0.00 H new ATOM 565 N GLU A 179 63.547 9.230 5.112 1.00 0.00 N ATOM 566 CA GLU A 179 63.863 8.420 3.931 1.00 0.00 C ATOM 567 C GLU A 179 62.608 7.751 3.326 1.00 0.00 C ATOM 568 O GLU A 179 62.451 7.706 2.103 1.00 0.00 O ATOM 569 CB GLU A 179 64.915 7.367 4.324 1.00 0.00 C ATOM 570 CG GLU A 179 65.535 6.626 3.132 1.00 0.00 C ATOM 571 CD GLU A 179 66.395 7.551 2.256 1.00 0.00 C ATOM 572 OE1 GLU A 179 67.487 7.973 2.708 1.00 0.00 O ATOM 573 OE2 GLU A 179 66.002 7.848 1.103 1.00 0.00 O ATOM 0 H GLU A 179 64.051 8.939 5.950 1.00 0.00 H new ATOM 0 HA GLU A 179 64.262 9.074 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.710 7.856 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.453 6.639 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 179 66.148 5.802 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 179 64.742 6.189 2.526 1.00 0.00 H new ATOM 580 N PHE A 180 61.687 7.277 4.175 1.00 0.00 N ATOM 581 CA PHE A 180 60.410 6.674 3.789 1.00 0.00 C ATOM 582 C PHE A 180 59.470 7.686 3.107 1.00 0.00 C ATOM 583 O PHE A 180 59.146 7.523 1.929 1.00 0.00 O ATOM 584 CB PHE A 180 59.799 6.060 5.056 1.00 0.00 C ATOM 585 CG PHE A 180 58.437 5.410 4.924 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.312 4.147 4.316 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.310 6.018 5.507 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.078 3.471 4.337 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.070 5.356 5.506 1.00 0.00 C ATOM 590 CZ PHE A 180 55.959 4.076 4.934 1.00 0.00 C ATOM 0 H PHE A 180 61.818 7.305 5.186 1.00 0.00 H new ATOM 0 HA PHE A 180 60.568 5.899 3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.494 5.312 5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 180 59.727 6.844 5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.165 3.695 3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.398 6.996 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 180 56.991 2.489 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.204 5.830 5.944 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.012 3.557 4.954 1.00 0.00 H new ATOM 600 N PHE A 181 59.048 8.738 3.824 1.00 0.00 N ATOM 601 CA PHE A 181 58.051 9.703 3.350 1.00 0.00 C ATOM 602 C PHE A 181 58.550 10.634 2.237 1.00 0.00 C ATOM 603 O PHE A 181 57.780 10.999 1.349 1.00 0.00 O ATOM 604 CB PHE A 181 57.511 10.516 4.540 1.00 0.00 C ATOM 605 CG PHE A 181 56.405 9.858 5.347 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.133 9.676 4.773 1.00 0.00 C ATOM 607 CD2 PHE A 181 56.612 9.495 6.690 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.072 9.157 5.537 1.00 0.00 C ATOM 609 CE2 PHE A 181 55.553 8.965 7.453 1.00 0.00 C ATOM 610 CZ PHE A 181 54.280 8.799 6.877 1.00 0.00 C ATOM 0 H PHE A 181 59.395 8.943 4.761 1.00 0.00 H new ATOM 0 HA PHE A 181 57.250 9.119 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.341 10.737 5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.142 11.471 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 181 54.970 9.937 3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 181 57.586 9.623 7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.096 9.034 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 181 55.719 8.685 8.483 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.467 8.398 7.464 1.00 0.00 H new ATOM 620 N SER A 182 59.828 11.022 2.241 1.00 0.00 N ATOM 621 CA SER A 182 60.345 12.033 1.296 1.00 0.00 C ATOM 622 C SER A 182 60.496 11.522 -0.157 1.00 0.00 C ATOM 623 O SER A 182 60.795 12.301 -1.064 1.00 0.00 O ATOM 624 CB SER A 182 61.625 12.697 1.832 1.00 0.00 C ATOM 625 OG SER A 182 61.715 14.061 1.430 1.00 0.00 O ATOM 0 H SER A 182 60.529 10.655 2.885 1.00 0.00 H new ATOM 0 HA SER A 182 59.578 12.805 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 182 61.639 12.636 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.497 12.152 1.471 1.00 0.00 H new ATOM 0 HG SER A 182 62.538 14.454 1.788 1.00 0.00 H new ATOM 631 N GLN A 183 60.224 10.234 -0.415 1.00 0.00 N ATOM 632 CA GLN A 183 60.100 9.672 -1.770 1.00 0.00 C ATOM 633 C GLN A 183 58.890 10.245 -2.547 1.00 0.00 C ATOM 634 O GLN A 183 58.855 10.178 -3.777 1.00 0.00 O ATOM 635 CB GLN A 183 60.029 8.138 -1.686 1.00 0.00 C ATOM 636 CG GLN A 183 61.426 7.551 -1.440 1.00 0.00 C ATOM 637 CD GLN A 183 61.367 6.076 -1.055 1.00 0.00 C ATOM 638 OE1 GLN A 183 61.027 5.197 -1.840 1.00 0.00 O ATOM 639 NE2 GLN A 183 61.698 5.761 0.177 1.00 0.00 N ATOM 0 H GLN A 183 60.082 9.543 0.322 1.00 0.00 H new ATOM 0 HA GLN A 183 60.986 9.965 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 183 59.356 7.842 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 183 59.616 7.735 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 183 62.031 7.667 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 183 61.921 8.113 -0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 183 61.981 6.490 0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 183 61.672 4.787 0.479 1.00 0.00 H new ATOM 648 N ILE A 184 57.919 10.847 -1.845 1.00 0.00 N ATOM 649 CA ILE A 184 56.748 11.544 -2.418 1.00 0.00 C ATOM 650 C ILE A 184 57.100 12.956 -2.931 1.00 0.00 C ATOM 651 O ILE A 184 56.449 13.481 -3.840 1.00 0.00 O ATOM 652 CB ILE A 184 55.654 11.631 -1.322 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.258 10.247 -0.758 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.396 12.392 -1.785 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.520 9.326 -1.732 1.00 0.00 C ATOM 0 H ILE A 184 57.924 10.865 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 184 56.392 10.979 -3.279 1.00 0.00 H new ATOM 0 HB ILE A 184 56.114 12.204 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 184 56.161 9.740 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.629 10.398 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.668 12.419 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.668 13.410 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 184 53.961 11.886 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.289 8.383 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.594 9.803 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 184 55.150 9.135 -2.601 1.00 0.00 H new ATOM 667 N GLY A 185 58.125 13.574 -2.339 1.00 0.00 N ATOM 668 CA GLY A 185 58.369 15.020 -2.327 1.00 0.00 C ATOM 669 C GLY A 185 58.856 15.476 -0.951 1.00 0.00 C ATOM 670 O GLY A 185 58.839 14.706 0.008 1.00 0.00 O ATOM 0 H GLY A 185 58.842 13.056 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 185 59.111 15.275 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.453 15.550 -2.588 1.00 0.00 H new ATOM 674 N LYS A 186 59.324 16.721 -0.844 1.00 0.00 N ATOM 675 CA LYS A 186 60.117 17.203 0.298 1.00 0.00 C ATOM 676 C LYS A 186 59.425 17.066 1.675 1.00 0.00 C ATOM 677 O LYS A 186 58.580 17.885 2.044 1.00 0.00 O ATOM 678 CB LYS A 186 60.538 18.662 0.036 1.00 0.00 C ATOM 679 CG LYS A 186 61.589 18.762 -1.081 1.00 0.00 C ATOM 680 CD LYS A 186 62.070 20.202 -1.322 1.00 0.00 C ATOM 681 CE LYS A 186 60.943 21.110 -1.847 1.00 0.00 C ATOM 682 NZ LYS A 186 61.434 22.484 -2.145 1.00 0.00 N ATOM 0 H LYS A 186 59.163 17.435 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 186 60.990 16.553 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 186 59.661 19.250 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 186 60.940 19.094 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 186 62.444 18.137 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 186 61.169 18.365 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 186 62.462 20.613 -0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 186 62.892 20.194 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 186 60.515 20.673 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 186 60.144 21.162 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 60.646 23.066 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 61.820 22.910 -1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 62.179 22.437 -2.869 1.00 0.00 H new ATOM 696 N VAL A 187 59.883 16.106 2.486 1.00 0.00 N ATOM 697 CA VAL A 187 59.818 16.205 3.959 1.00 0.00 C ATOM 698 C VAL A 187 60.839 17.270 4.383 1.00 0.00 C ATOM 699 O VAL A 187 61.989 17.205 3.951 1.00 0.00 O ATOM 700 CB VAL A 187 60.149 14.866 4.666 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.344 15.020 6.187 1.00 0.00 C ATOM 702 CG2 VAL A 187 59.034 13.840 4.440 1.00 0.00 C ATOM 0 H VAL A 187 60.307 15.242 2.149 1.00 0.00 H new ATOM 0 HA VAL A 187 58.801 16.466 4.251 1.00 0.00 H new ATOM 0 HB VAL A 187 61.087 14.528 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 187 60.573 14.048 6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 187 61.167 15.708 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 187 59.430 15.412 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.289 12.909 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.097 14.226 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 187 58.922 13.654 3.372 1.00 0.00 H new ATOM 712 N VAL A 188 60.439 18.219 5.233 1.00 0.00 N ATOM 713 CA VAL A 188 61.367 19.190 5.862 1.00 0.00 C ATOM 714 C VAL A 188 61.776 18.792 7.278 1.00 0.00 C ATOM 715 O VAL A 188 62.861 19.174 7.720 1.00 0.00 O ATOM 716 CB VAL A 188 60.821 20.638 5.898 1.00 0.00 C ATOM 717 CG1 VAL A 188 61.116 21.312 4.557 1.00 0.00 C ATOM 718 CG2 VAL A 188 59.327 20.729 6.261 1.00 0.00 C ATOM 0 H VAL A 188 59.466 18.344 5.511 1.00 0.00 H new ATOM 0 HA VAL A 188 62.242 19.165 5.213 1.00 0.00 H new ATOM 0 HB VAL A 188 61.335 21.165 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 188 60.735 22.333 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 188 62.193 21.328 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 188 60.631 20.755 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 188 59.017 21.774 6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 188 58.740 20.180 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 188 59.166 20.298 7.249 1.00 0.00 H new ATOM 728 N ARG A 189 60.935 18.026 7.985 1.00 0.00 N ATOM 729 CA ARG A 189 61.116 17.756 9.409 1.00 0.00 C ATOM 730 C ARG A 189 60.284 16.544 9.844 1.00 0.00 C ATOM 731 O ARG A 189 59.064 16.624 9.900 1.00 0.00 O ATOM 732 CB ARG A 189 60.781 19.057 10.180 1.00 0.00 C ATOM 733 CG ARG A 189 60.641 18.844 11.686 1.00 0.00 C ATOM 734 CD ARG A 189 60.644 20.152 12.490 1.00 0.00 C ATOM 735 NE ARG A 189 60.768 19.887 13.937 1.00 0.00 N ATOM 736 CZ ARG A 189 59.823 19.437 14.757 1.00 0.00 C ATOM 737 NH1 ARG A 189 58.569 19.297 14.385 1.00 0.00 N ATOM 738 NH2 ARG A 189 60.148 19.105 15.988 1.00 0.00 N ATOM 0 H ARG A 189 60.112 17.578 7.582 1.00 0.00 H new ATOM 0 HA ARG A 189 62.147 17.483 9.635 1.00 0.00 H new ATOM 0 HB2 ARG A 189 61.563 19.793 9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 189 59.852 19.474 9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 189 59.714 18.306 11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 189 61.457 18.211 12.033 1.00 0.00 H new ATOM 0 HD2 ARG A 189 61.470 20.783 12.161 1.00 0.00 H new ATOM 0 HD3 ARG A 189 59.724 20.704 12.296 1.00 0.00 H new ATOM 0 HE ARG A 189 61.681 20.070 14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 189 58.289 19.537 13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 189 57.876 18.948 15.048 1.00 0.00 H new ATOM 0 HH21 ARG A 189 61.114 19.194 16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 189 59.434 18.758 16.628 1.00 0.00 H new ATOM 752 N ALA A 190 60.937 15.430 10.171 1.00 0.00 N ATOM 753 CA ALA A 190 60.359 14.337 10.963 1.00 0.00 C ATOM 754 C ALA A 190 60.781 14.467 12.440 1.00 0.00 C ATOM 755 O ALA A 190 61.846 15.014 12.738 1.00 0.00 O ATOM 756 CB ALA A 190 60.800 13.002 10.353 1.00 0.00 C ATOM 0 H ALA A 190 61.902 15.255 9.889 1.00 0.00 H new ATOM 0 HA ALA A 190 59.270 14.385 10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.378 12.180 10.932 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.449 12.939 9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 190 61.888 12.936 10.370 1.00 0.00 H new ATOM 762 N ASP A 191 59.954 13.973 13.364 1.00 0.00 N ATOM 763 CA ASP A 191 60.118 14.185 14.807 1.00 0.00 C ATOM 764 C ASP A 191 59.492 13.040 15.623 1.00 0.00 C ATOM 765 O ASP A 191 58.313 12.729 15.461 1.00 0.00 O ATOM 766 CB ASP A 191 59.504 15.552 15.169 1.00 0.00 C ATOM 767 CG ASP A 191 59.694 15.956 16.641 1.00 0.00 C ATOM 768 OD1 ASP A 191 60.684 15.520 17.275 1.00 0.00 O ATOM 769 OD2 ASP A 191 58.878 16.772 17.137 1.00 0.00 O ATOM 0 H ASP A 191 59.139 13.406 13.129 1.00 0.00 H new ATOM 0 HA ASP A 191 61.178 14.187 15.059 1.00 0.00 H new ATOM 0 HB2 ASP A 191 59.948 16.318 14.533 1.00 0.00 H new ATOM 0 HB3 ASP A 191 58.438 15.530 14.944 1.00 0.00 H new ATOM 774 N ILE A 192 60.286 12.418 16.503 1.00 0.00 N ATOM 775 CA ILE A 192 59.889 11.284 17.371 1.00 0.00 C ATOM 776 C ILE A 192 60.453 11.443 18.793 1.00 0.00 C ATOM 777 O ILE A 192 59.699 11.359 19.763 1.00 0.00 O ATOM 778 CB ILE A 192 60.300 9.920 16.735 1.00 0.00 C ATOM 779 CG1 ILE A 192 59.362 9.550 15.558 1.00 0.00 C ATOM 780 CG2 ILE A 192 60.320 8.785 17.786 1.00 0.00 C ATOM 781 CD1 ILE A 192 59.770 8.306 14.753 1.00 0.00 C ATOM 0 H ILE A 192 61.258 12.694 16.641 1.00 0.00 H new ATOM 0 HA ILE A 192 58.802 11.291 17.454 1.00 0.00 H new ATOM 0 HB ILE A 192 61.312 10.036 16.347 1.00 0.00 H new ATOM 0 HG12 ILE A 192 58.358 9.393 15.952 1.00 0.00 H new ATOM 0 HG13 ILE A 192 59.308 10.400 14.878 1.00 0.00 H new ATOM 0 HG21 ILE A 192 60.611 7.850 17.307 1.00 0.00 H new ATOM 0 HG22 ILE A 192 61.036 9.028 18.571 1.00 0.00 H new ATOM 0 HG23 ILE A 192 59.327 8.676 18.222 1.00 0.00 H new ATOM 0 HD11 ILE A 192 59.048 8.136 13.955 1.00 0.00 H new ATOM 0 HD12 ILE A 192 60.759 8.460 14.321 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.793 7.438 15.412 1.00 0.00 H new ATOM 933 N MET A 202 55.906 6.616 18.665 1.00 0.00 N ATOM 934 CA MET A 202 55.025 7.574 17.967 1.00 0.00 C ATOM 935 C MET A 202 55.631 8.982 17.777 1.00 0.00 C ATOM 936 O MET A 202 56.501 9.417 18.539 1.00 0.00 O ATOM 937 CB MET A 202 53.647 7.607 18.657 1.00 0.00 C ATOM 938 CG MET A 202 53.646 8.270 20.042 1.00 0.00 C ATOM 939 SD MET A 202 53.506 10.077 20.005 1.00 0.00 S ATOM 940 CE MET A 202 53.717 10.416 21.768 1.00 0.00 C ATOM 0 HA MET A 202 54.904 7.210 16.947 1.00 0.00 H new ATOM 0 HB2 MET A 202 52.945 8.137 18.014 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.280 6.586 18.756 1.00 0.00 H new ATOM 0 HG2 MET A 202 52.819 7.865 20.625 1.00 0.00 H new ATOM 0 HG3 MET A 202 54.565 7.999 20.562 1.00 0.00 H new ATOM 0 HE1 MET A 202 53.660 11.491 21.941 1.00 0.00 H new ATOM 0 HE2 MET A 202 52.930 9.915 22.332 1.00 0.00 H new ATOM 0 HE3 MET A 202 54.689 10.047 22.096 1.00 0.00 H new ATOM 950 N GLY A 203 55.170 9.694 16.737 1.00 0.00 N ATOM 951 CA GLY A 203 55.664 11.029 16.373 1.00 0.00 C ATOM 952 C GLY A 203 54.930 11.701 15.209 1.00 0.00 C ATOM 953 O GLY A 203 53.750 11.433 14.970 1.00 0.00 O ATOM 0 H GLY A 203 54.434 9.353 16.118 1.00 0.00 H new ATOM 0 HA2 GLY A 203 55.594 11.676 17.248 1.00 0.00 H new ATOM 0 HA3 GLY A 203 56.721 10.951 16.118 1.00 0.00 H new ATOM 957 N THR A 204 55.627 12.582 14.483 1.00 0.00 N ATOM 958 CA THR A 204 55.085 13.464 13.426 1.00 0.00 C ATOM 959 C THR A 204 56.056 13.635 12.267 1.00 0.00 C ATOM 960 O THR A 204 57.259 13.456 12.435 1.00 0.00 O ATOM 961 CB THR A 204 54.733 14.863 13.972 1.00 0.00 C ATOM 962 OG1 THR A 204 55.718 15.311 14.876 1.00 0.00 O ATOM 963 CG2 THR A 204 53.384 14.872 14.679 1.00 0.00 C ATOM 0 H THR A 204 56.630 12.711 14.617 1.00 0.00 H new ATOM 0 HA THR A 204 54.181 12.971 13.069 1.00 0.00 H new ATOM 0 HB THR A 204 54.686 15.531 13.112 1.00 0.00 H new ATOM 0 HG1 THR A 204 55.476 16.200 15.209 1.00 0.00 H new ATOM 0 HG21 THR A 204 53.174 15.876 15.049 1.00 0.00 H new ATOM 0 HG22 THR A 204 52.604 14.572 13.979 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.407 14.174 15.516 1.00 0.00 H new ATOM 971 N VAL A 205 55.530 14.046 11.110 1.00 0.00 N ATOM 972 CA VAL A 205 56.323 14.394 9.911 1.00 0.00 C ATOM 973 C VAL A 205 55.727 15.620 9.218 1.00 0.00 C ATOM 974 O VAL A 205 54.511 15.772 9.157 1.00 0.00 O ATOM 975 CB VAL A 205 56.460 13.213 8.913 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.468 13.528 7.797 1.00 0.00 C ATOM 977 CG2 VAL A 205 56.895 11.906 9.598 1.00 0.00 C ATOM 0 H VAL A 205 54.525 14.151 10.970 1.00 0.00 H new ATOM 0 HA VAL A 205 57.331 14.628 10.254 1.00 0.00 H new ATOM 0 HB VAL A 205 55.465 13.077 8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.537 12.678 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 205 57.136 14.407 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.447 13.722 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 205 56.975 11.114 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 205 57.863 12.051 10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.156 11.625 10.348 1.00 0.00 H new ATOM 987 N GLU A 206 56.584 16.510 8.718 1.00 0.00 N ATOM 988 CA GLU A 206 56.223 17.812 8.161 1.00 0.00 C ATOM 989 C GLU A 206 56.854 17.982 6.778 1.00 0.00 C ATOM 990 O GLU A 206 58.060 17.798 6.586 1.00 0.00 O ATOM 991 CB GLU A 206 56.638 18.952 9.110 1.00 0.00 C ATOM 992 CG GLU A 206 56.262 18.666 10.571 1.00 0.00 C ATOM 993 CD GLU A 206 56.204 19.936 11.424 1.00 0.00 C ATOM 994 OE1 GLU A 206 55.125 20.578 11.457 1.00 0.00 O ATOM 995 OE2 GLU A 206 57.215 20.267 12.088 1.00 0.00 O ATOM 0 H GLU A 206 57.589 16.336 8.689 1.00 0.00 H new ATOM 0 HA GLU A 206 55.139 17.858 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 206 57.715 19.106 9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 206 56.161 19.879 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 206 55.293 18.168 10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 206 56.989 17.977 11.001 1.00 0.00 H new ATOM 1002 N PHE A 207 56.008 18.327 5.811 1.00 0.00 N ATOM 1003 CA PHE A 207 56.317 18.452 4.390 1.00 0.00 C ATOM 1004 C PHE A 207 56.260 19.928 3.975 1.00 0.00 C ATOM 1005 O PHE A 207 55.765 20.774 4.721 1.00 0.00 O ATOM 1006 CB PHE A 207 55.280 17.642 3.590 1.00 0.00 C ATOM 1007 CG PHE A 207 55.346 16.124 3.676 1.00 0.00 C ATOM 1008 CD1 PHE A 207 55.042 15.444 4.875 1.00 0.00 C ATOM 1009 CD2 PHE A 207 55.599 15.379 2.504 1.00 0.00 C ATOM 1010 CE1 PHE A 207 54.953 14.043 4.886 1.00 0.00 C ATOM 1011 CE2 PHE A 207 55.498 13.977 2.516 1.00 0.00 C ATOM 1012 CZ PHE A 207 55.142 13.315 3.702 1.00 0.00 C ATOM 0 H PHE A 207 55.031 18.539 6.011 1.00 0.00 H new ATOM 0 HA PHE A 207 57.319 18.071 4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 207 54.288 17.953 3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 207 55.373 17.922 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 207 54.878 16.002 5.785 1.00 0.00 H new ATOM 0 HD2 PHE A 207 55.872 15.889 1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 207 54.738 13.524 5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 207 55.693 13.411 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 207 55.013 12.243 3.703 1.00 0.00 H new ATOM 1022 N THR A 208 56.701 20.246 2.754 1.00 0.00 N ATOM 1023 CA THR A 208 56.578 21.602 2.189 1.00 0.00 C ATOM 1024 C THR A 208 55.198 21.912 1.589 1.00 0.00 C ATOM 1025 O THR A 208 54.994 23.015 1.084 1.00 0.00 O ATOM 1026 CB THR A 208 57.708 21.877 1.192 1.00 0.00 C ATOM 1027 OG1 THR A 208 57.657 20.972 0.113 1.00 0.00 O ATOM 1028 CG2 THR A 208 59.084 21.735 1.830 1.00 0.00 C ATOM 0 H THR A 208 57.152 19.578 2.129 1.00 0.00 H new ATOM 0 HA THR A 208 56.676 22.289 3.029 1.00 0.00 H new ATOM 0 HB THR A 208 57.563 22.902 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 208 56.798 21.062 -0.349 1.00 0.00 H new ATOM 0 HG21 THR A 208 59.853 21.939 1.085 1.00 0.00 H new ATOM 0 HG22 THR A 208 59.178 22.444 2.653 1.00 0.00 H new ATOM 0 HG23 THR A 208 59.206 20.720 2.209 1.00 0.00 H new ATOM 1036 N ASN A 209 54.252 20.962 1.627 1.00 0.00 N ATOM 1037 CA ASN A 209 52.988 21.005 0.877 1.00 0.00 C ATOM 1038 C ASN A 209 51.768 20.517 1.675 1.00 0.00 C ATOM 1039 O ASN A 209 51.887 19.727 2.606 1.00 0.00 O ATOM 1040 CB ASN A 209 53.159 20.228 -0.446 1.00 0.00 C ATOM 1041 CG ASN A 209 54.106 20.932 -1.422 1.00 0.00 C ATOM 1042 OD1 ASN A 209 55.323 20.808 -1.342 1.00 0.00 O ATOM 1043 ND2 ASN A 209 53.580 21.695 -2.366 1.00 0.00 N ATOM 0 H ASN A 209 54.348 20.120 2.195 1.00 0.00 H new ATOM 0 HA ASN A 209 52.770 22.052 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 209 53.541 19.230 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 209 52.185 20.102 -0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 209 54.187 22.180 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 209 52.567 21.798 -2.433 1.00 0.00 H new ATOM 1050 N SER A 210 50.580 20.990 1.285 1.00 0.00 N ATOM 1051 CA SER A 210 49.284 20.707 1.932 1.00 0.00 C ATOM 1052 C SER A 210 48.367 19.774 1.105 1.00 0.00 C ATOM 1053 O SER A 210 47.233 19.513 1.511 1.00 0.00 O ATOM 1054 CB SER A 210 48.588 22.045 2.242 1.00 0.00 C ATOM 1055 OG SER A 210 48.409 22.843 1.074 1.00 0.00 O ATOM 0 H SER A 210 50.486 21.606 0.478 1.00 0.00 H new ATOM 0 HA SER A 210 49.483 20.160 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 210 47.618 21.850 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 210 49.179 22.599 2.971 1.00 0.00 H new ATOM 0 HG SER A 210 47.963 23.681 1.316 1.00 0.00 H new ATOM 1061 N ASP A 211 48.849 19.245 -0.033 1.00 0.00 N ATOM 1062 CA ASP A 211 48.113 18.300 -0.897 1.00 0.00 C ATOM 1063 C ASP A 211 48.840 16.951 -1.061 1.00 0.00 C ATOM 1064 O ASP A 211 48.232 15.901 -0.857 1.00 0.00 O ATOM 1065 CB ASP A 211 47.845 18.969 -2.252 1.00 0.00 C ATOM 1066 CG ASP A 211 47.029 18.064 -3.187 1.00 0.00 C ATOM 1067 OD1 ASP A 211 45.803 17.915 -2.970 1.00 0.00 O ATOM 1068 OD2 ASP A 211 47.611 17.522 -4.156 1.00 0.00 O ATOM 0 H ASP A 211 49.780 19.466 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 211 47.165 18.061 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 211 47.310 19.905 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 211 48.794 19.220 -2.727 1.00 0.00 H new ATOM 1073 N ASP A 212 50.156 16.955 -1.326 1.00 0.00 N ATOM 1074 CA ASP A 212 50.972 15.728 -1.451 1.00 0.00 C ATOM 1075 C ASP A 212 51.043 14.914 -0.142 1.00 0.00 C ATOM 1076 O ASP A 212 51.251 13.702 -0.158 1.00 0.00 O ATOM 1077 CB ASP A 212 52.389 16.100 -1.914 1.00 0.00 C ATOM 1078 CG ASP A 212 52.409 16.694 -3.331 1.00 0.00 C ATOM 1079 OD1 ASP A 212 52.336 15.914 -4.310 1.00 0.00 O ATOM 1080 OD2 ASP A 212 52.509 17.938 -3.455 1.00 0.00 O ATOM 0 H ASP A 212 50.691 17.813 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 212 50.485 15.091 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 212 52.819 16.819 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 212 53.021 15.212 -1.887 1.00 0.00 H new ATOM 1085 N VAL A 213 50.791 15.590 0.981 1.00 0.00 N ATOM 1086 CA VAL A 213 50.658 15.032 2.339 1.00 0.00 C ATOM 1087 C VAL A 213 49.503 14.030 2.475 1.00 0.00 C ATOM 1088 O VAL A 213 49.614 13.088 3.257 1.00 0.00 O ATOM 1089 CB VAL A 213 50.491 16.152 3.398 1.00 0.00 C ATOM 1090 CG1 VAL A 213 51.856 16.749 3.741 1.00 0.00 C ATOM 1091 CG2 VAL A 213 49.576 17.299 2.942 1.00 0.00 C ATOM 0 H VAL A 213 50.666 16.602 0.972 1.00 0.00 H new ATOM 0 HA VAL A 213 51.587 14.491 2.519 1.00 0.00 H new ATOM 0 HB VAL A 213 50.027 15.677 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 213 51.732 17.535 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 213 52.504 15.969 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 213 52.306 17.169 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 213 49.506 18.045 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 213 49.989 17.759 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 213 48.582 16.907 2.724 1.00 0.00 H new ATOM 1101 N ASP A 214 48.424 14.172 1.694 1.00 0.00 N ATOM 1102 CA ASP A 214 47.417 13.115 1.551 1.00 0.00 C ATOM 1103 C ASP A 214 47.951 11.979 0.672 1.00 0.00 C ATOM 1104 O ASP A 214 47.920 10.820 1.084 1.00 0.00 O ATOM 1105 CB ASP A 214 46.109 13.690 0.991 1.00 0.00 C ATOM 1106 CG ASP A 214 45.036 12.598 0.859 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.554 12.091 1.900 1.00 0.00 O ATOM 1108 OD2 ASP A 214 44.681 12.235 -0.285 1.00 0.00 O ATOM 0 H ASP A 214 48.227 15.012 1.150 1.00 0.00 H new ATOM 0 HA ASP A 214 47.203 12.700 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 214 45.747 14.483 1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 214 46.295 14.142 0.016 1.00 0.00 H new ATOM 1113 N ARG A 215 48.504 12.318 -0.501 1.00 0.00 N ATOM 1114 CA ARG A 215 48.958 11.360 -1.525 1.00 0.00 C ATOM 1115 C ARG A 215 50.024 10.375 -1.011 1.00 0.00 C ATOM 1116 O ARG A 215 50.074 9.233 -1.468 1.00 0.00 O ATOM 1117 CB ARG A 215 49.470 12.111 -2.769 1.00 0.00 C ATOM 1118 CG ARG A 215 48.415 13.058 -3.367 1.00 0.00 C ATOM 1119 CD ARG A 215 48.941 13.777 -4.616 1.00 0.00 C ATOM 1120 NE ARG A 215 48.012 14.839 -5.033 1.00 0.00 N ATOM 1121 CZ ARG A 215 47.018 14.776 -5.908 1.00 0.00 C ATOM 1122 NH1 ARG A 215 46.730 13.691 -6.598 1.00 0.00 N ATOM 1123 NH2 ARG A 215 46.294 15.858 -6.078 1.00 0.00 N ATOM 0 H ARG A 215 48.653 13.290 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 215 48.090 10.757 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 215 50.358 12.685 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 215 49.774 11.388 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 215 47.520 12.491 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 215 48.122 13.795 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 215 49.922 14.205 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 215 49.070 13.060 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 215 48.152 15.747 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 215 47.284 12.844 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 215 45.953 13.698 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 215 46.506 16.702 -5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 215 45.519 15.854 -6.741 1.00 0.00 H new ATOM 1137 N ALA A 216 50.824 10.781 -0.017 1.00 0.00 N ATOM 1138 CA ALA A 216 51.719 9.915 0.755 1.00 0.00 C ATOM 1139 C ALA A 216 50.959 8.804 1.496 1.00 0.00 C ATOM 1140 O ALA A 216 51.162 7.613 1.274 1.00 0.00 O ATOM 1141 CB ALA A 216 52.488 10.823 1.734 1.00 0.00 C ATOM 0 H ALA A 216 50.866 11.756 0.281 1.00 0.00 H new ATOM 0 HA ALA A 216 52.406 9.397 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.169 10.218 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.058 11.563 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 216 51.782 11.331 2.391 1.00 0.00 H new ATOM 1147 N ILE A 217 50.040 9.197 2.371 1.00 0.00 N ATOM 1148 CA ILE A 217 49.355 8.296 3.314 1.00 0.00 C ATOM 1149 C ILE A 217 48.450 7.287 2.600 1.00 0.00 C ATOM 1150 O ILE A 217 48.389 6.131 3.023 1.00 0.00 O ATOM 1151 CB ILE A 217 48.641 9.172 4.359 1.00 0.00 C ATOM 1152 CG1 ILE A 217 49.744 9.752 5.277 1.00 0.00 C ATOM 1153 CG2 ILE A 217 47.567 8.398 5.146 1.00 0.00 C ATOM 1154 CD1 ILE A 217 49.257 10.971 6.051 1.00 0.00 C ATOM 0 H ILE A 217 49.739 10.168 2.453 1.00 0.00 H new ATOM 0 HA ILE A 217 50.072 7.661 3.834 1.00 0.00 H new ATOM 0 HB ILE A 217 48.089 9.975 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 217 50.073 8.985 5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 217 50.610 10.027 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.095 9.064 5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 217 46.813 8.019 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.031 7.563 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.062 11.346 6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 217 48.953 11.749 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 217 48.408 10.691 6.674 1.00 0.00 H new ATOM 1166 N ARG A 218 47.879 7.674 1.452 1.00 0.00 N ATOM 1167 CA ARG A 218 47.136 6.777 0.539 1.00 0.00 C ATOM 1168 C ARG A 218 47.952 5.580 -0.006 1.00 0.00 C ATOM 1169 O ARG A 218 47.374 4.707 -0.657 1.00 0.00 O ATOM 1170 CB ARG A 218 46.507 7.572 -0.629 1.00 0.00 C ATOM 1171 CG ARG A 218 45.549 8.705 -0.222 1.00 0.00 C ATOM 1172 CD ARG A 218 44.359 8.268 0.638 1.00 0.00 C ATOM 1173 NE ARG A 218 43.682 9.447 1.197 1.00 0.00 N ATOM 1174 CZ ARG A 218 42.456 9.524 1.688 1.00 0.00 C ATOM 1175 NH1 ARG A 218 41.604 8.520 1.640 1.00 0.00 N ATOM 1176 NH2 ARG A 218 42.093 10.656 2.246 1.00 0.00 N ATOM 0 H ARG A 218 47.918 8.638 1.120 1.00 0.00 H new ATOM 0 HA ARG A 218 46.352 6.340 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 218 47.311 7.998 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 218 45.966 6.875 -1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 218 46.115 9.460 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 218 45.169 9.182 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 218 43.659 7.688 0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 218 44.701 7.619 1.444 1.00 0.00 H new ATOM 0 HE ARG A 218 44.224 10.311 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 218 41.880 7.637 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 218 40.668 8.626 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 218 42.748 11.436 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 218 41.156 10.755 2.636 1.00 0.00 H new ATOM 1190 N GLN A 219 49.260 5.494 0.270 1.00 0.00 N ATOM 1191 CA GLN A 219 50.103 4.333 -0.046 1.00 0.00 C ATOM 1192 C GLN A 219 51.006 3.873 1.123 1.00 0.00 C ATOM 1193 O GLN A 219 51.800 2.952 0.930 1.00 0.00 O ATOM 1194 CB GLN A 219 50.890 4.605 -1.343 1.00 0.00 C ATOM 1195 CG GLN A 219 51.933 5.732 -1.247 1.00 0.00 C ATOM 1196 CD GLN A 219 52.822 5.790 -2.493 1.00 0.00 C ATOM 1197 OE1 GLN A 219 52.364 5.967 -3.616 1.00 0.00 O ATOM 1198 NE2 GLN A 219 54.124 5.632 -2.352 1.00 0.00 N ATOM 0 H GLN A 219 49.773 6.246 0.729 1.00 0.00 H new ATOM 0 HA GLN A 219 49.442 3.482 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 219 51.396 3.687 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 219 50.182 4.852 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 219 51.425 6.688 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 219 52.554 5.579 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 219 54.522 5.484 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 219 54.732 5.658 -3.170 1.00 0.00 H new ATOM 1207 N TYR A 220 50.882 4.457 2.328 1.00 0.00 N ATOM 1208 CA TYR A 220 51.741 4.124 3.483 1.00 0.00 C ATOM 1209 C TYR A 220 51.029 3.651 4.767 1.00 0.00 C ATOM 1210 O TYR A 220 51.667 2.969 5.569 1.00 0.00 O ATOM 1211 CB TYR A 220 52.640 5.321 3.827 1.00 0.00 C ATOM 1212 CG TYR A 220 53.658 5.750 2.781 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.422 4.807 2.062 1.00 0.00 C ATOM 1214 CD2 TYR A 220 53.897 7.122 2.588 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.409 5.234 1.153 1.00 0.00 C ATOM 1216 CE2 TYR A 220 54.880 7.559 1.685 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.645 6.614 0.964 1.00 0.00 C ATOM 1218 OH TYR A 220 56.604 7.031 0.092 1.00 0.00 O ATOM 0 H TYR A 220 50.184 5.173 2.531 1.00 0.00 H new ATOM 0 HA TYR A 220 52.309 3.258 3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 220 51.998 6.175 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.178 5.086 4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.249 3.751 2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.318 7.848 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.985 4.507 0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 220 55.051 8.616 1.542 1.00 0.00 H new ATOM 0 HH TYR A 220 57.435 7.209 0.580 1.00 0.00 H new ATOM 1228 N ASP A 221 49.744 3.949 5.001 1.00 0.00 N ATOM 1229 CA ASP A 221 49.063 3.466 6.216 1.00 0.00 C ATOM 1230 C ASP A 221 48.913 1.928 6.182 1.00 0.00 C ATOM 1231 O ASP A 221 48.324 1.379 5.246 1.00 0.00 O ATOM 1232 CB ASP A 221 47.715 4.178 6.387 1.00 0.00 C ATOM 1233 CG ASP A 221 47.092 3.874 7.759 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.566 4.452 8.767 1.00 0.00 O ATOM 1235 OD2 ASP A 221 46.134 3.067 7.816 1.00 0.00 O ATOM 0 H ASP A 221 49.162 4.511 4.380 1.00 0.00 H new ATOM 0 HA ASP A 221 49.672 3.707 7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 221 47.853 5.254 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 221 47.032 3.863 5.598 1.00 0.00 H new ATOM 1240 N GLY A 222 49.482 1.231 7.177 1.00 0.00 N ATOM 1241 CA GLY A 222 49.616 -0.236 7.173 1.00 0.00 C ATOM 1242 C GLY A 222 50.925 -0.765 6.596 1.00 0.00 C ATOM 1243 O GLY A 222 51.086 -1.986 6.550 1.00 0.00 O ATOM 0 H GLY A 222 49.865 1.671 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.516 -0.597 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.789 -0.659 6.603 1.00 0.00 H new ATOM 1247 N ALA A 223 51.856 0.091 6.156 1.00 0.00 N ATOM 1248 CA ALA A 223 53.212 -0.340 5.817 1.00 0.00 C ATOM 1249 C ALA A 223 53.902 -0.931 7.062 1.00 0.00 C ATOM 1250 O ALA A 223 54.286 -0.219 7.993 1.00 0.00 O ATOM 1251 CB ALA A 223 54.013 0.822 5.204 1.00 0.00 C ATOM 0 H ALA A 223 51.691 1.089 6.027 1.00 0.00 H new ATOM 0 HA ALA A 223 53.163 -1.125 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 223 55.019 0.481 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.516 1.168 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 223 54.072 1.641 5.921 1.00 0.00 H new ATOM 1257 N PHE A 224 54.063 -2.255 7.069 1.00 0.00 N ATOM 1258 CA PHE A 224 55.021 -2.935 7.939 1.00 0.00 C ATOM 1259 C PHE A 224 56.414 -2.302 7.782 1.00 0.00 C ATOM 1260 O PHE A 224 56.951 -2.222 6.674 1.00 0.00 O ATOM 1261 CB PHE A 224 55.050 -4.433 7.615 1.00 0.00 C ATOM 1262 CG PHE A 224 53.859 -5.205 8.145 1.00 0.00 C ATOM 1263 CD1 PHE A 224 52.693 -5.354 7.368 1.00 0.00 C ATOM 1264 CD2 PHE A 224 53.927 -5.793 9.422 1.00 0.00 C ATOM 1265 CE1 PHE A 224 51.631 -6.142 7.844 1.00 0.00 C ATOM 1266 CE2 PHE A 224 52.848 -6.548 9.912 1.00 0.00 C ATOM 1267 CZ PHE A 224 51.707 -6.741 9.115 1.00 0.00 C ATOM 0 H PHE A 224 53.531 -2.886 6.470 1.00 0.00 H new ATOM 0 HA PHE A 224 54.713 -2.820 8.978 1.00 0.00 H new ATOM 0 HB2 PHE A 224 55.098 -4.559 6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.962 -4.865 8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 224 52.616 -4.864 6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 224 54.812 -5.663 10.028 1.00 0.00 H new ATOM 0 HE1 PHE A 224 50.753 -6.288 7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 224 52.896 -6.980 10.901 1.00 0.00 H new ATOM 0 HZ PHE A 224 50.890 -7.348 9.477 1.00 0.00 H new ATOM 1277 N PHE A 225 56.983 -1.851 8.902 1.00 0.00 N ATOM 1278 CA PHE A 225 58.222 -1.081 8.961 1.00 0.00 C ATOM 1279 C PHE A 225 58.951 -1.422 10.265 1.00 0.00 C ATOM 1280 O PHE A 225 58.377 -1.302 11.348 1.00 0.00 O ATOM 1281 CB PHE A 225 57.891 0.418 8.859 1.00 0.00 C ATOM 1282 CG PHE A 225 58.923 1.209 8.093 1.00 0.00 C ATOM 1283 CD1 PHE A 225 58.964 1.086 6.694 1.00 0.00 C ATOM 1284 CD2 PHE A 225 59.822 2.068 8.753 1.00 0.00 C ATOM 1285 CE1 PHE A 225 59.903 1.813 5.950 1.00 0.00 C ATOM 1286 CE2 PHE A 225 60.759 2.805 8.005 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.802 2.677 6.603 1.00 0.00 C ATOM 0 H PHE A 225 56.578 -2.019 9.823 1.00 0.00 H new ATOM 0 HA PHE A 225 58.880 -1.332 8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 225 56.921 0.536 8.376 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.799 0.831 9.863 1.00 0.00 H new ATOM 0 HD1 PHE A 225 58.270 0.429 6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 225 59.793 2.161 9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 225 59.937 1.710 4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 225 61.446 3.470 8.507 1.00 0.00 H new ATOM 0 HZ PHE A 225 61.523 3.241 6.030 1.00 0.00 H new ATOM 1297 N MET A 226 60.185 -1.931 10.150 1.00 0.00 N ATOM 1298 CA MET A 226 60.947 -2.519 11.270 1.00 0.00 C ATOM 1299 C MET A 226 60.221 -3.738 11.895 1.00 0.00 C ATOM 1300 O MET A 226 60.387 -4.022 13.080 1.00 0.00 O ATOM 1301 CB MET A 226 61.339 -1.437 12.302 1.00 0.00 C ATOM 1302 CG MET A 226 62.063 -0.248 11.652 1.00 0.00 C ATOM 1303 SD MET A 226 62.609 1.022 12.820 1.00 0.00 S ATOM 1304 CE MET A 226 63.297 2.207 11.637 1.00 0.00 C ATOM 0 H MET A 226 60.693 -1.948 9.266 1.00 0.00 H new ATOM 0 HA MET A 226 61.880 -2.917 10.871 1.00 0.00 H new ATOM 0 HB2 MET A 226 60.443 -1.081 12.810 1.00 0.00 H new ATOM 0 HB3 MET A 226 61.982 -1.879 13.063 1.00 0.00 H new ATOM 0 HG2 MET A 226 62.930 -0.620 11.107 1.00 0.00 H new ATOM 0 HG3 MET A 226 61.399 0.210 10.920 1.00 0.00 H new ATOM 0 HE1 MET A 226 63.689 3.071 12.174 1.00 0.00 H new ATOM 0 HE2 MET A 226 64.102 1.734 11.074 1.00 0.00 H new ATOM 0 HE3 MET A 226 62.515 2.531 10.950 1.00 0.00 H new ATOM 1314 N ASP A 227 59.411 -4.440 11.081 1.00 0.00 N ATOM 1315 CA ASP A 227 58.688 -5.710 11.337 1.00 0.00 C ATOM 1316 C ASP A 227 57.243 -5.556 11.873 1.00 0.00 C ATOM 1317 O ASP A 227 56.561 -6.565 12.065 1.00 0.00 O ATOM 1318 CB ASP A 227 59.534 -6.690 12.181 1.00 0.00 C ATOM 1319 CG ASP A 227 59.098 -8.158 12.040 1.00 0.00 C ATOM 1320 OD1 ASP A 227 59.119 -8.686 10.902 1.00 0.00 O ATOM 1321 OD2 ASP A 227 58.793 -8.798 13.076 1.00 0.00 O ATOM 0 H ASP A 227 59.225 -4.104 10.136 1.00 0.00 H new ATOM 0 HA ASP A 227 58.548 -6.151 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 227 60.580 -6.600 11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 227 59.472 -6.400 13.230 1.00 0.00 H new ATOM 1326 N ARG A 228 56.744 -4.324 12.070 1.00 0.00 N ATOM 1327 CA ARG A 228 55.388 -4.036 12.588 1.00 0.00 C ATOM 1328 C ARG A 228 54.699 -2.902 11.812 1.00 0.00 C ATOM 1329 O ARG A 228 55.352 -1.999 11.293 1.00 0.00 O ATOM 1330 CB ARG A 228 55.458 -3.665 14.084 1.00 0.00 C ATOM 1331 CG ARG A 228 56.004 -4.757 15.024 1.00 0.00 C ATOM 1332 CD ARG A 228 55.106 -5.998 15.114 1.00 0.00 C ATOM 1333 NE ARG A 228 55.640 -6.963 16.093 1.00 0.00 N ATOM 1334 CZ ARG A 228 55.166 -8.180 16.344 1.00 0.00 C ATOM 1335 NH1 ARG A 228 54.116 -8.667 15.715 1.00 0.00 N ATOM 1336 NH2 ARG A 228 55.752 -8.933 17.251 1.00 0.00 N ATOM 0 H ARG A 228 57.281 -3.480 11.870 1.00 0.00 H new ATOM 0 HA ARG A 228 54.795 -4.941 12.455 1.00 0.00 H new ATOM 0 HB2 ARG A 228 56.082 -2.777 14.189 1.00 0.00 H new ATOM 0 HB3 ARG A 228 54.457 -3.393 14.418 1.00 0.00 H new ATOM 0 HG2 ARG A 228 56.993 -5.059 14.680 1.00 0.00 H new ATOM 0 HG3 ARG A 228 56.129 -4.336 16.022 1.00 0.00 H new ATOM 0 HD2 ARG A 228 54.097 -5.702 15.402 1.00 0.00 H new ATOM 0 HD3 ARG A 228 55.032 -6.470 14.134 1.00 0.00 H new ATOM 0 HE ARG A 228 56.454 -6.668 16.631 1.00 0.00 H new ATOM 0 HH11 ARG A 228 53.639 -8.106 15.009 1.00 0.00 H new ATOM 0 HH12 ARG A 228 53.780 -9.605 15.934 1.00 0.00 H new ATOM 0 HH21 ARG A 228 56.565 -8.582 17.757 1.00 0.00 H new ATOM 0 HH22 ARG A 228 55.393 -9.867 17.448 1.00 0.00 H new ATOM 1350 N LYS A 229 53.366 -2.921 11.725 1.00 0.00 N ATOM 1351 CA LYS A 229 52.581 -1.853 11.081 1.00 0.00 C ATOM 1352 C LYS A 229 52.689 -0.506 11.828 1.00 0.00 C ATOM 1353 O LYS A 229 52.128 -0.348 12.915 1.00 0.00 O ATOM 1354 CB LYS A 229 51.105 -2.269 10.985 1.00 0.00 C ATOM 1355 CG LYS A 229 50.828 -3.295 9.883 1.00 0.00 C ATOM 1356 CD LYS A 229 49.312 -3.419 9.692 1.00 0.00 C ATOM 1357 CE LYS A 229 48.951 -4.421 8.587 1.00 0.00 C ATOM 1358 NZ LYS A 229 47.480 -4.503 8.366 1.00 0.00 N ATOM 0 H LYS A 229 52.795 -3.679 12.099 1.00 0.00 H new ATOM 0 HA LYS A 229 52.997 -1.710 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 229 50.790 -2.683 11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 229 50.497 -1.382 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 229 51.301 -2.985 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 229 51.255 -4.261 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 229 48.853 -3.733 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 229 48.897 -2.442 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 229 49.441 -4.129 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 229 49.333 -5.407 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 47.280 -5.191 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 47.013 -4.807 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 47.118 -3.569 8.087 1.00 0.00 H new ATOM 1372 N ILE A 230 53.337 0.501 11.230 1.00 0.00 N ATOM 1373 CA ILE A 230 53.019 1.910 11.477 1.00 0.00 C ATOM 1374 C ILE A 230 51.580 2.210 11.008 1.00 0.00 C ATOM 1375 O ILE A 230 51.066 1.594 10.069 1.00 0.00 O ATOM 1376 CB ILE A 230 54.094 2.870 10.872 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.701 3.685 9.618 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.462 2.200 10.620 1.00 0.00 C ATOM 1379 CD1 ILE A 230 53.646 2.940 8.285 1.00 0.00 C ATOM 0 H ILE A 230 54.095 0.361 10.562 1.00 0.00 H new ATOM 0 HA ILE A 230 53.054 2.101 12.550 1.00 0.00 H new ATOM 0 HB ILE A 230 54.171 3.592 11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 230 52.721 4.128 9.797 1.00 0.00 H new ATOM 0 HG13 ILE A 230 54.409 4.508 9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 230 56.153 2.931 10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.861 1.822 11.561 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.339 1.373 9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 230 53.358 3.632 7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.627 2.521 8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 230 52.914 2.135 8.348 1.00 0.00 H new ATOM 1391 N PHE A 231 50.959 3.197 11.650 1.00 0.00 N ATOM 1392 CA PHE A 231 49.680 3.784 11.255 1.00 0.00 C ATOM 1393 C PHE A 231 49.820 5.308 11.276 1.00 0.00 C ATOM 1394 O PHE A 231 50.708 5.828 11.951 1.00 0.00 O ATOM 1395 CB PHE A 231 48.571 3.285 12.194 1.00 0.00 C ATOM 1396 CG PHE A 231 48.317 1.788 12.117 1.00 0.00 C ATOM 1397 CD1 PHE A 231 47.562 1.259 11.052 1.00 0.00 C ATOM 1398 CD2 PHE A 231 48.829 0.924 13.105 1.00 0.00 C ATOM 1399 CE1 PHE A 231 47.305 -0.123 10.985 1.00 0.00 C ATOM 1400 CE2 PHE A 231 48.572 -0.458 13.037 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.803 -0.980 11.982 1.00 0.00 C ATOM 0 H PHE A 231 51.347 3.626 12.490 1.00 0.00 H new ATOM 0 HA PHE A 231 49.404 3.480 10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.834 3.545 13.219 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.646 3.812 11.958 1.00 0.00 H new ATOM 0 HD1 PHE A 231 47.179 1.916 10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 231 49.420 1.323 13.916 1.00 0.00 H new ATOM 0 HE1 PHE A 231 46.725 -0.525 10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 231 48.966 -1.118 13.796 1.00 0.00 H new ATOM 0 HZ PHE A 231 47.595 -2.039 11.938 1.00 0.00 H new ATOM 1411 N VAL A 232 48.990 6.036 10.531 1.00 0.00 N ATOM 1412 CA VAL A 232 49.188 7.478 10.305 1.00 0.00 C ATOM 1413 C VAL A 232 47.864 8.214 10.086 1.00 0.00 C ATOM 1414 O VAL A 232 47.058 7.848 9.230 1.00 0.00 O ATOM 1415 CB VAL A 232 50.221 7.731 9.174 1.00 0.00 C ATOM 1416 CG1 VAL A 232 49.935 6.931 7.893 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.354 9.217 8.803 1.00 0.00 C ATOM 0 H VAL A 232 48.166 5.653 10.068 1.00 0.00 H new ATOM 0 HA VAL A 232 49.611 7.903 11.215 1.00 0.00 H new ATOM 0 HB VAL A 232 51.162 7.383 9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 232 50.696 7.157 7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 232 49.953 5.865 8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 232 48.953 7.204 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 232 51.091 9.329 8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 232 49.390 9.594 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 232 50.676 9.783 9.677 1.00 0.00 H new ATOM 1427 N ARG A 233 47.665 9.274 10.878 1.00 0.00 N ATOM 1428 CA ARG A 233 46.521 10.188 10.805 1.00 0.00 C ATOM 1429 C ARG A 233 46.824 11.262 9.745 1.00 0.00 C ATOM 1430 O ARG A 233 47.895 11.873 9.749 1.00 0.00 O ATOM 1431 CB ARG A 233 46.291 10.779 12.219 1.00 0.00 C ATOM 1432 CG ARG A 233 44.843 11.155 12.591 1.00 0.00 C ATOM 1433 CD ARG A 233 44.266 12.357 11.834 1.00 0.00 C ATOM 1434 NE ARG A 233 42.974 12.789 12.397 1.00 0.00 N ATOM 1435 CZ ARG A 233 42.248 13.821 11.976 1.00 0.00 C ATOM 1436 NH1 ARG A 233 42.612 14.568 10.962 1.00 0.00 N ATOM 1437 NH2 ARG A 233 41.115 14.133 12.565 1.00 0.00 N ATOM 0 H ARG A 233 48.322 9.528 11.616 1.00 0.00 H new ATOM 0 HA ARG A 233 45.603 9.683 10.502 1.00 0.00 H new ATOM 0 HB2 ARG A 233 46.653 10.057 12.951 1.00 0.00 H new ATOM 0 HB3 ARG A 233 46.909 11.671 12.318 1.00 0.00 H new ATOM 0 HG2 ARG A 233 44.203 10.291 12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 233 44.802 11.365 13.660 1.00 0.00 H new ATOM 0 HD2 ARG A 233 44.974 13.185 11.872 1.00 0.00 H new ATOM 0 HD3 ARG A 233 44.136 12.097 10.784 1.00 0.00 H new ATOM 0 HE ARG A 233 42.604 12.249 13.179 1.00 0.00 H new ATOM 0 HH11 ARG A 233 43.480 14.366 10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 233 42.027 15.351 10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 233 40.782 13.581 13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 233 40.569 14.927 12.231 1.00 0.00 H new