USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot -18:sc= 0.27 USER MOD Set 2.1: A 89 TYR OH : rot -14:sc= 0.286 USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 0.264 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.0324 (180deg=-0.489) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.0296 (180deg=-0.371) USER MOD Single : A 39 CYS SG : rot -51:sc= 0.291! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0424 (180deg=-0.442) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -73:sc= 0.749 USER MOD Single : A 64 THR OG1 : rot -7:sc= -0.246 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.227 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.929 X(o=-0.93,f=-0.93) USER MOD Single : A 76 THR OG1 : rot 94:sc= 0.282 USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= -0.0412 (180deg=-0.0617) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -145:sc= -0.0208 (180deg=-0.533) USER MOD Single : A 107 CYS SG : rot 180:sc= -1.82 USER MOD Single : A 110 SER OG : rot -95:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 2.137 -20.861 7.121 1.00 0.00 N ATOM 293 CA THR A 18 2.347 -19.692 6.274 1.00 0.00 C ATOM 294 C THR A 18 3.408 -18.786 6.890 1.00 0.00 C ATOM 295 O THR A 18 3.788 -18.955 8.047 1.00 0.00 O ATOM 296 CB THR A 18 1.036 -18.917 6.116 1.00 0.00 C ATOM 297 OG1 THR A 18 0.789 -18.159 7.294 1.00 0.00 O ATOM 298 CG2 THR A 18 -0.112 -19.899 5.888 1.00 0.00 C ATOM 0 HA THR A 18 2.686 -20.025 5.293 1.00 0.00 H new ATOM 0 HB THR A 18 1.111 -18.244 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.049 -17.661 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.046 -19.348 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.079 -20.478 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.189 -20.573 6.741 1.00 0.00 H new ATOM 306 N ARG A 19 3.889 -17.828 6.102 1.00 0.00 N ATOM 307 CA ARG A 19 4.919 -16.896 6.566 1.00 0.00 C ATOM 308 C ARG A 19 4.339 -15.499 6.722 1.00 0.00 C ATOM 309 O ARG A 19 3.390 -15.137 6.036 1.00 0.00 O ATOM 310 CB ARG A 19 6.070 -16.855 5.560 1.00 0.00 C ATOM 311 CG ARG A 19 7.180 -15.952 6.095 1.00 0.00 C ATOM 312 CD ARG A 19 8.379 -16.004 5.151 1.00 0.00 C ATOM 313 NE ARG A 19 8.027 -15.436 3.856 1.00 0.00 N ATOM 314 CZ ARG A 19 8.854 -15.530 2.818 1.00 0.00 C ATOM 315 NH1 ARG A 19 9.999 -16.142 2.952 1.00 0.00 N ATOM 316 NH2 ARG A 19 8.519 -15.013 1.669 1.00 0.00 N ATOM 0 H ARG A 19 3.584 -17.675 5.141 1.00 0.00 H new ATOM 0 HA ARG A 19 5.287 -17.239 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.455 -17.861 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.715 -16.483 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.818 -14.928 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.476 -16.274 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.215 -15.453 5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.708 -17.036 5.026 1.00 0.00 H new ATOM 0 HE ARG A 19 7.133 -14.959 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.258 -16.547 3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.634 -16.215 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.623 -14.537 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.153 -15.085 0.873 1.00 0.00 H new ATOM 330 N LYS A 20 4.917 -14.719 7.632 1.00 0.00 N ATOM 331 CA LYS A 20 4.453 -13.352 7.876 1.00 0.00 C ATOM 332 C LYS A 20 5.507 -12.357 7.429 1.00 0.00 C ATOM 333 O LYS A 20 6.706 -12.612 7.554 1.00 0.00 O ATOM 334 CB LYS A 20 4.170 -13.159 9.364 1.00 0.00 C ATOM 335 CG LYS A 20 2.980 -14.027 9.769 1.00 0.00 C ATOM 336 CD LYS A 20 2.681 -13.824 11.253 1.00 0.00 C ATOM 337 CE LYS A 20 1.444 -14.635 11.641 1.00 0.00 C ATOM 338 NZ LYS A 20 1.720 -16.085 11.437 1.00 0.00 N ATOM 0 H LYS A 20 5.705 -15.007 8.212 1.00 0.00 H new ATOM 0 HA LYS A 20 3.538 -13.184 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.048 -13.429 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.957 -12.110 9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.106 -13.765 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.198 -15.077 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.536 -14.136 11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.515 -12.767 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.183 -14.446 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.590 -14.328 11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.027 -16.649 11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.648 -16.313 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.679 -16.307 11.774 1.00 0.00 H new ATOM 352 N ILE A 21 5.055 -11.217 6.909 1.00 0.00 N ATOM 353 CA ILE A 21 5.967 -10.174 6.440 1.00 0.00 C ATOM 354 C ILE A 21 5.742 -8.888 7.223 1.00 0.00 C ATOM 355 O ILE A 21 4.603 -8.544 7.564 1.00 0.00 O ATOM 356 CB ILE A 21 5.748 -9.916 4.944 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.884 -9.029 4.406 1.00 0.00 C ATOM 358 CG2 ILE A 21 4.405 -9.204 4.733 1.00 0.00 C ATOM 359 CD1 ILE A 21 8.230 -9.778 4.444 1.00 0.00 C ATOM 0 H ILE A 21 4.066 -10.992 6.802 1.00 0.00 H new ATOM 0 HA ILE A 21 6.992 -10.510 6.597 1.00 0.00 H new ATOM 0 HB ILE A 21 5.741 -10.867 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.661 -8.725 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.953 -8.118 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.253 -9.022 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.598 -9.830 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.409 -8.253 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.018 -9.131 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.461 -10.059 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.165 -10.675 3.829 1.00 0.00 H new ATOM 371 N LYS A 22 6.832 -8.177 7.505 1.00 0.00 N ATOM 372 CA LYS A 22 6.761 -6.924 8.254 1.00 0.00 C ATOM 373 C LYS A 22 7.543 -5.823 7.541 1.00 0.00 C ATOM 374 O LYS A 22 7.384 -4.639 7.847 1.00 0.00 O ATOM 375 CB LYS A 22 7.336 -7.127 9.657 1.00 0.00 C ATOM 376 CG LYS A 22 6.933 -5.950 10.548 1.00 0.00 C ATOM 377 CD LYS A 22 7.436 -6.188 11.970 1.00 0.00 C ATOM 378 CE LYS A 22 7.001 -5.022 12.861 1.00 0.00 C ATOM 379 NZ LYS A 22 7.471 -5.262 14.254 1.00 0.00 N ATOM 0 H LYS A 22 7.775 -8.447 7.226 1.00 0.00 H new ATOM 0 HA LYS A 22 5.716 -6.624 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.967 -8.061 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.422 -7.205 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.350 -5.023 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.849 -5.836 10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.037 -7.125 12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.522 -6.278 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.414 -4.087 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.916 -4.922 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.176 -4.471 14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.057 -6.146 14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.508 -5.337 14.262 1.00 0.00 H new ATOM 393 N ILE A 23 8.388 -6.215 6.588 1.00 0.00 N ATOM 394 CA ILE A 23 9.198 -5.252 5.838 1.00 0.00 C ATOM 395 C ILE A 23 8.632 -5.051 4.442 1.00 0.00 C ATOM 396 O ILE A 23 8.428 -6.009 3.696 1.00 0.00 O ATOM 397 CB ILE A 23 10.644 -5.751 5.739 1.00 0.00 C ATOM 398 CG1 ILE A 23 11.194 -6.073 7.156 1.00 0.00 C ATOM 399 CG2 ILE A 23 11.508 -4.667 5.076 1.00 0.00 C ATOM 400 CD1 ILE A 23 11.012 -7.562 7.469 1.00 0.00 C ATOM 0 H ILE A 23 8.530 -7.188 6.317 1.00 0.00 H new ATOM 0 HA ILE A 23 9.178 -4.299 6.366 1.00 0.00 H new ATOM 0 HB ILE A 23 10.674 -6.660 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.250 -5.808 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.674 -5.471 7.901 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.538 -5.017 5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.125 -4.456 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.475 -3.758 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.401 -7.775 8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.952 -7.815 7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.553 -8.157 6.733 1.00 0.00 H new ATOM 412 N THR A 24 8.378 -3.791 4.099 1.00 0.00 N ATOM 413 CA THR A 24 7.835 -3.451 2.786 1.00 0.00 C ATOM 414 C THR A 24 8.527 -2.213 2.230 1.00 0.00 C ATOM 415 O THR A 24 8.763 -1.243 2.950 1.00 0.00 O ATOM 416 CB THR A 24 6.330 -3.203 2.896 1.00 0.00 C ATOM 417 OG1 THR A 24 5.706 -4.347 3.463 1.00 0.00 O ATOM 418 CG2 THR A 24 5.760 -2.947 1.503 1.00 0.00 C ATOM 0 H THR A 24 8.539 -2.990 4.710 1.00 0.00 H new ATOM 0 HA THR A 24 8.013 -4.284 2.106 1.00 0.00 H new ATOM 0 HB THR A 24 6.144 -2.336 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.741 -4.191 3.536 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.687 -2.770 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.244 -2.073 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.942 -3.816 0.870 1.00 0.00 H new ATOM 426 N PHE A 25 8.848 -2.252 0.942 1.00 0.00 N ATOM 427 CA PHE A 25 9.514 -1.129 0.299 1.00 0.00 C ATOM 428 C PHE A 25 8.651 0.124 0.401 1.00 0.00 C ATOM 429 O PHE A 25 7.456 0.090 0.104 1.00 0.00 O ATOM 430 CB PHE A 25 9.771 -1.450 -1.171 1.00 0.00 C ATOM 431 CG PHE A 25 10.398 -0.256 -1.851 1.00 0.00 C ATOM 432 CD1 PHE A 25 11.753 0.034 -1.641 1.00 0.00 C ATOM 433 CD2 PHE A 25 9.631 0.563 -2.690 1.00 0.00 C ATOM 434 CE1 PHE A 25 12.337 1.142 -2.267 1.00 0.00 C ATOM 435 CE2 PHE A 25 10.216 1.671 -3.316 1.00 0.00 C ATOM 436 CZ PHE A 25 11.570 1.959 -3.104 1.00 0.00 C ATOM 0 H PHE A 25 8.659 -3.044 0.327 1.00 0.00 H new ATOM 0 HA PHE A 25 10.464 -0.951 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.429 -2.315 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.835 -1.712 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.347 -0.597 -0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.587 0.340 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 25 13.381 1.366 -2.103 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.624 2.303 -3.961 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.022 2.813 -3.587 1.00 0.00 H new ATOM 446 N ALA A 26 9.264 1.226 0.828 1.00 0.00 N ATOM 447 CA ALA A 26 8.550 2.497 0.976 1.00 0.00 C ATOM 448 C ALA A 26 8.907 3.453 -0.154 1.00 0.00 C ATOM 449 O ALA A 26 10.072 3.576 -0.535 1.00 0.00 O ATOM 450 CB ALA A 26 8.911 3.140 2.310 1.00 0.00 C ATOM 0 H ALA A 26 10.252 1.267 1.078 1.00 0.00 H new ATOM 0 HA ALA A 26 7.480 2.293 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.377 4.085 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.629 2.472 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.985 3.324 2.347 1.00 0.00 H new ATOM 456 N LEU A 27 7.895 4.125 -0.685 1.00 0.00 N ATOM 457 CA LEU A 27 8.104 5.069 -1.772 1.00 0.00 C ATOM 458 C LEU A 27 8.974 6.229 -1.306 1.00 0.00 C ATOM 459 O LEU A 27 9.862 6.683 -2.025 1.00 0.00 O ATOM 460 CB LEU A 27 6.751 5.587 -2.280 1.00 0.00 C ATOM 461 CG LEU A 27 6.110 4.546 -3.219 1.00 0.00 C ATOM 462 CD1 LEU A 27 6.898 4.435 -4.545 1.00 0.00 C ATOM 463 CD2 LEU A 27 6.079 3.185 -2.510 1.00 0.00 C ATOM 0 H LEU A 27 6.925 4.034 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 27 8.617 4.560 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.089 5.787 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.888 6.531 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 27 5.095 4.863 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.424 3.694 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.903 5.402 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.923 4.131 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.627 2.442 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.096 2.880 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.492 3.265 -1.595 1.00 0.00 H new ATOM 475 N ASP A 28 8.712 6.700 -0.096 1.00 0.00 N ATOM 476 CA ASP A 28 9.476 7.807 0.462 1.00 0.00 C ATOM 477 C ASP A 28 9.346 7.829 1.978 1.00 0.00 C ATOM 478 O ASP A 28 8.653 6.996 2.564 1.00 0.00 O ATOM 479 CB ASP A 28 8.980 9.133 -0.118 1.00 0.00 C ATOM 480 CG ASP A 28 9.306 9.206 -1.607 1.00 0.00 C ATOM 481 OD1 ASP A 28 10.460 9.015 -1.950 1.00 0.00 O ATOM 482 OD2 ASP A 28 8.396 9.452 -2.383 1.00 0.00 O ATOM 0 H ASP A 28 7.981 6.336 0.515 1.00 0.00 H new ATOM 0 HA ASP A 28 10.525 7.671 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.904 9.225 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.448 9.966 0.406 1.00 0.00 H new ATOM 487 N ALA A 29 10.016 8.786 2.611 1.00 0.00 N ATOM 488 CA ALA A 29 9.968 8.903 4.062 1.00 0.00 C ATOM 489 C ALA A 29 8.526 9.088 4.537 1.00 0.00 C ATOM 490 O ALA A 29 8.109 8.508 5.544 1.00 0.00 O ATOM 491 CB ALA A 29 10.818 10.095 4.512 1.00 0.00 C ATOM 0 H ALA A 29 10.594 9.486 2.146 1.00 0.00 H new ATOM 0 HA ALA A 29 10.365 7.987 4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.780 10.180 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.850 9.946 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.429 11.009 4.063 1.00 0.00 H new ATOM 497 N THR A 30 7.767 9.895 3.805 1.00 0.00 N ATOM 498 CA THR A 30 6.376 10.143 4.164 1.00 0.00 C ATOM 499 C THR A 30 5.566 8.853 4.087 1.00 0.00 C ATOM 500 O THR A 30 4.863 8.486 5.035 1.00 0.00 O ATOM 501 CB THR A 30 5.775 11.183 3.216 1.00 0.00 C ATOM 502 OG1 THR A 30 6.641 12.310 3.142 1.00 0.00 O ATOM 503 CG2 THR A 30 4.406 11.621 3.735 1.00 0.00 C ATOM 0 H THR A 30 8.086 10.384 2.969 1.00 0.00 H new ATOM 0 HA THR A 30 6.342 10.518 5.187 1.00 0.00 H new ATOM 0 HB THR A 30 5.660 10.747 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.259 12.977 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.980 12.362 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.744 10.757 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.516 12.058 4.728 1.00 0.00 H new ATOM 511 N PHE A 31 5.675 8.159 2.959 1.00 0.00 N ATOM 512 CA PHE A 31 4.959 6.906 2.774 1.00 0.00 C ATOM 513 C PHE A 31 5.551 5.822 3.659 1.00 0.00 C ATOM 514 O PHE A 31 4.886 4.842 3.982 1.00 0.00 O ATOM 515 CB PHE A 31 5.018 6.468 1.306 1.00 0.00 C ATOM 516 CG PHE A 31 4.146 7.378 0.469 1.00 0.00 C ATOM 517 CD1 PHE A 31 2.752 7.292 0.569 1.00 0.00 C ATOM 518 CD2 PHE A 31 4.728 8.305 -0.405 1.00 0.00 C ATOM 519 CE1 PHE A 31 1.942 8.132 -0.203 1.00 0.00 C ATOM 520 CE2 PHE A 31 3.915 9.145 -1.177 1.00 0.00 C ATOM 521 CZ PHE A 31 2.522 9.057 -1.077 1.00 0.00 C ATOM 0 H PHE A 31 6.249 8.442 2.165 1.00 0.00 H new ATOM 0 HA PHE A 31 3.917 7.062 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.047 6.502 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.681 5.436 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.302 6.577 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.803 8.372 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.867 8.066 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.364 9.861 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.895 9.703 -1.674 1.00 0.00 H new ATOM 531 N ASP A 32 6.805 6.000 4.054 1.00 0.00 N ATOM 532 CA ASP A 32 7.464 5.022 4.908 1.00 0.00 C ATOM 533 C ASP A 32 6.792 4.974 6.275 1.00 0.00 C ATOM 534 O ASP A 32 6.404 3.907 6.751 1.00 0.00 O ATOM 535 CB ASP A 32 8.940 5.383 5.070 1.00 0.00 C ATOM 536 CG ASP A 32 9.627 4.389 5.996 1.00 0.00 C ATOM 537 OD1 ASP A 32 9.008 3.392 6.330 1.00 0.00 O ATOM 538 OD2 ASP A 32 10.765 4.639 6.358 1.00 0.00 O ATOM 0 H ASP A 32 7.380 6.803 3.800 1.00 0.00 H new ATOM 0 HA ASP A 32 7.383 4.040 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.431 5.383 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.033 6.391 5.474 1.00 0.00 H new ATOM 543 N SER A 33 6.656 6.139 6.904 1.00 0.00 N ATOM 544 CA SER A 33 6.021 6.213 8.216 1.00 0.00 C ATOM 545 C SER A 33 4.535 5.884 8.119 1.00 0.00 C ATOM 546 O SER A 33 3.997 5.139 8.940 1.00 0.00 O ATOM 547 CB SER A 33 6.199 7.609 8.809 1.00 0.00 C ATOM 548 OG SER A 33 5.280 7.785 9.878 1.00 0.00 O ATOM 0 H SER A 33 6.973 7.034 6.532 1.00 0.00 H new ATOM 0 HA SER A 33 6.499 5.480 8.866 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.220 7.737 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.033 8.366 8.043 1.00 0.00 H new ATOM 0 HG SER A 33 5.392 8.680 10.262 1.00 0.00 H new ATOM 554 N VAL A 34 3.873 6.452 7.115 1.00 0.00 N ATOM 555 CA VAL A 34 2.446 6.216 6.930 1.00 0.00 C ATOM 556 C VAL A 34 2.170 4.746 6.635 1.00 0.00 C ATOM 557 O VAL A 34 1.266 4.143 7.215 1.00 0.00 O ATOM 558 CB VAL A 34 1.923 7.077 5.777 1.00 0.00 C ATOM 559 CG1 VAL A 34 0.459 6.732 5.492 1.00 0.00 C ATOM 560 CG2 VAL A 34 2.034 8.555 6.154 1.00 0.00 C ATOM 0 H VAL A 34 4.296 7.072 6.425 1.00 0.00 H new ATOM 0 HA VAL A 34 1.933 6.486 7.853 1.00 0.00 H new ATOM 0 HB VAL A 34 2.518 6.881 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.093 7.348 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.380 5.680 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.140 6.922 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.662 9.169 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.442 8.748 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.077 8.803 6.349 1.00 0.00 H new ATOM 570 N LEU A 35 2.952 4.176 5.727 1.00 0.00 N ATOM 571 CA LEU A 35 2.774 2.779 5.356 1.00 0.00 C ATOM 572 C LEU A 35 3.033 1.870 6.551 1.00 0.00 C ATOM 573 O LEU A 35 2.291 0.919 6.790 1.00 0.00 O ATOM 574 CB LEU A 35 3.731 2.409 4.215 1.00 0.00 C ATOM 575 CG LEU A 35 3.524 0.941 3.801 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.101 0.748 3.252 1.00 0.00 C ATOM 577 CD2 LEU A 35 4.551 0.574 2.724 1.00 0.00 C ATOM 0 H LEU A 35 3.709 4.654 5.238 1.00 0.00 H new ATOM 0 HA LEU A 35 1.745 2.642 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.559 3.063 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.763 2.563 4.532 1.00 0.00 H new ATOM 0 HG LEU A 35 3.657 0.295 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.961 -0.293 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.375 1.010 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.956 1.390 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.410 -0.465 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.417 1.222 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.558 0.704 3.122 1.00 0.00 H new ATOM 589 N SER A 36 4.095 2.167 7.293 1.00 0.00 N ATOM 590 CA SER A 36 4.446 1.360 8.451 1.00 0.00 C ATOM 591 C SER A 36 3.316 1.377 9.471 1.00 0.00 C ATOM 592 O SER A 36 2.971 0.345 10.046 1.00 0.00 O ATOM 593 CB SER A 36 5.725 1.896 9.089 1.00 0.00 C ATOM 594 OG SER A 36 6.083 1.075 10.192 1.00 0.00 O ATOM 0 H SER A 36 4.720 2.953 7.114 1.00 0.00 H new ATOM 0 HA SER A 36 4.609 0.333 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.531 1.911 8.356 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.576 2.924 9.420 1.00 0.00 H new ATOM 0 HG SER A 36 6.905 1.417 10.601 1.00 0.00 H new ATOM 600 N LYS A 37 2.744 2.555 9.690 1.00 0.00 N ATOM 601 CA LYS A 37 1.651 2.695 10.645 1.00 0.00 C ATOM 602 C LYS A 37 0.437 1.888 10.192 1.00 0.00 C ATOM 603 O LYS A 37 -0.194 1.198 10.993 1.00 0.00 O ATOM 604 CB LYS A 37 1.261 4.168 10.779 1.00 0.00 C ATOM 605 CG LYS A 37 0.200 4.317 11.874 1.00 0.00 C ATOM 606 CD LYS A 37 -0.130 5.799 12.064 1.00 0.00 C ATOM 607 CE LYS A 37 -1.168 5.952 13.178 1.00 0.00 C ATOM 608 NZ LYS A 37 -2.461 5.357 12.734 1.00 0.00 N ATOM 0 H LYS A 37 3.016 3.421 9.224 1.00 0.00 H new ATOM 0 HA LYS A 37 1.987 2.317 11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.138 4.767 11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.875 4.541 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.699 3.765 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.564 3.891 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.774 6.354 12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.514 6.219 11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.820 5.458 14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.304 7.006 13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.232 5.716 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.642 5.618 11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.413 4.321 12.815 1.00 0.00 H new ATOM 622 N ALA A 38 0.112 1.983 8.907 1.00 0.00 N ATOM 623 CA ALA A 38 -1.036 1.261 8.366 1.00 0.00 C ATOM 624 C ALA A 38 -0.729 -0.228 8.233 1.00 0.00 C ATOM 625 O ALA A 38 -1.152 -1.034 9.062 1.00 0.00 O ATOM 626 CB ALA A 38 -1.405 1.826 6.994 1.00 0.00 C ATOM 0 H ALA A 38 0.621 2.547 8.226 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.872 1.386 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.262 1.283 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.657 2.882 7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.559 1.716 6.316 1.00 0.00 H new ATOM 632 N CYS A 39 0.009 -0.585 7.186 1.00 0.00 N ATOM 633 CA CYS A 39 0.365 -1.984 6.952 1.00 0.00 C ATOM 634 C CYS A 39 1.646 -2.343 7.703 1.00 0.00 C ATOM 635 O CYS A 39 2.667 -2.665 7.093 1.00 0.00 O ATOM 636 CB CYS A 39 0.559 -2.232 5.454 1.00 0.00 C ATOM 637 SG CYS A 39 1.197 -3.906 5.196 1.00 0.00 S ATOM 0 H CYS A 39 0.370 0.068 6.490 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.446 -2.613 7.319 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.388 -2.107 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.252 -1.500 5.040 1.00 0.00 H new ATOM 0 HG CYS A 39 2.236 -4.096 5.953 1.00 0.00 H new ATOM 643 N SER A 40 1.579 -2.289 9.028 1.00 0.00 N ATOM 644 CA SER A 40 2.733 -2.615 9.856 1.00 0.00 C ATOM 645 C SER A 40 3.150 -4.066 9.646 1.00 0.00 C ATOM 646 O SER A 40 4.339 -4.373 9.564 1.00 0.00 O ATOM 647 CB SER A 40 2.407 -2.384 11.330 1.00 0.00 C ATOM 648 OG SER A 40 3.546 -2.708 12.117 1.00 0.00 O ATOM 0 H SER A 40 0.743 -2.024 9.549 1.00 0.00 H new ATOM 0 HA SER A 40 3.558 -1.965 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.121 -1.345 11.493 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.558 -2.999 11.628 1.00 0.00 H new ATOM 0 HG SER A 40 3.342 -2.560 13.064 1.00 0.00 H new ATOM 654 N GLU A 41 2.166 -4.952 9.557 1.00 0.00 N ATOM 655 CA GLU A 41 2.441 -6.373 9.359 1.00 0.00 C ATOM 656 C GLU A 41 1.264 -7.057 8.679 1.00 0.00 C ATOM 657 O GLU A 41 0.112 -6.676 8.880 1.00 0.00 O ATOM 658 CB GLU A 41 2.718 -7.043 10.704 1.00 0.00 C ATOM 659 CG GLU A 41 3.098 -8.507 10.482 1.00 0.00 C ATOM 660 CD GLU A 41 3.467 -9.158 11.811 1.00 0.00 C ATOM 661 OE1 GLU A 41 3.688 -8.429 12.764 1.00 0.00 O ATOM 662 OE2 GLU A 41 3.527 -10.375 11.854 1.00 0.00 O ATOM 0 H GLU A 41 1.176 -4.716 9.618 1.00 0.00 H new ATOM 0 HA GLU A 41 3.318 -6.468 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.524 -6.523 11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.836 -6.979 11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.266 -9.042 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.938 -8.572 9.790 1.00 0.00 H new ATOM 669 N PHE A 42 1.559 -8.077 7.875 1.00 0.00 N ATOM 670 CA PHE A 42 0.507 -8.809 7.171 1.00 0.00 C ATOM 671 C PHE A 42 0.921 -10.259 6.944 1.00 0.00 C ATOM 672 O PHE A 42 2.106 -10.566 6.809 1.00 0.00 O ATOM 673 CB PHE A 42 0.218 -8.140 5.827 1.00 0.00 C ATOM 674 CG PHE A 42 -0.923 -8.854 5.138 1.00 0.00 C ATOM 675 CD1 PHE A 42 -2.232 -8.693 5.607 1.00 0.00 C ATOM 676 CD2 PHE A 42 -0.672 -9.680 4.034 1.00 0.00 C ATOM 677 CE1 PHE A 42 -3.291 -9.352 4.973 1.00 0.00 C ATOM 678 CE2 PHE A 42 -1.731 -10.341 3.401 1.00 0.00 C ATOM 679 CZ PHE A 42 -3.041 -10.177 3.868 1.00 0.00 C ATOM 0 H PHE A 42 2.505 -8.413 7.696 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.394 -8.795 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.035 -7.091 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.108 -8.165 5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.425 -8.059 6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.338 -9.806 3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.301 -9.225 5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.538 -10.979 2.551 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.858 -10.686 3.377 1.00 0.00 H new ATOM 689 N GLU A 43 -0.063 -11.152 6.903 1.00 0.00 N ATOM 690 CA GLU A 43 0.213 -12.565 6.687 1.00 0.00 C ATOM 691 C GLU A 43 0.485 -12.830 5.208 1.00 0.00 C ATOM 692 O GLU A 43 -0.185 -12.278 4.335 1.00 0.00 O ATOM 693 CB GLU A 43 -0.978 -13.407 7.149 1.00 0.00 C ATOM 694 CG GLU A 43 -2.226 -13.006 6.358 1.00 0.00 C ATOM 695 CD GLU A 43 -3.438 -13.773 6.874 1.00 0.00 C ATOM 696 OE1 GLU A 43 -3.312 -14.969 7.082 1.00 0.00 O ATOM 697 OE2 GLU A 43 -4.472 -13.150 7.055 1.00 0.00 O ATOM 0 H GLU A 43 -1.051 -10.923 7.016 1.00 0.00 H new ATOM 0 HA GLU A 43 1.095 -12.840 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.767 -14.466 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.148 -13.261 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.397 -11.934 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.078 -13.214 5.298 1.00 0.00 H new ATOM 704 N VAL A 44 1.475 -13.679 4.936 1.00 0.00 N ATOM 705 CA VAL A 44 1.842 -14.023 3.563 1.00 0.00 C ATOM 706 C VAL A 44 1.876 -15.540 3.383 1.00 0.00 C ATOM 707 O VAL A 44 2.449 -16.266 4.199 1.00 0.00 O ATOM 708 CB VAL A 44 3.215 -13.435 3.225 1.00 0.00 C ATOM 709 CG1 VAL A 44 3.690 -13.973 1.870 1.00 0.00 C ATOM 710 CG2 VAL A 44 3.111 -11.909 3.162 1.00 0.00 C ATOM 0 H VAL A 44 2.038 -14.142 5.649 1.00 0.00 H new ATOM 0 HA VAL A 44 1.094 -13.604 2.890 1.00 0.00 H new ATOM 0 HB VAL A 44 3.931 -13.722 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.667 -13.552 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.764 -15.059 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.976 -13.691 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.087 -11.487 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.393 -11.625 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.779 -11.527 4.127 1.00 0.00 H new ATOM 720 N ASP A 45 1.262 -16.009 2.304 1.00 0.00 N ATOM 721 CA ASP A 45 1.228 -17.434 2.009 1.00 0.00 C ATOM 722 C ASP A 45 2.533 -17.867 1.346 1.00 0.00 C ATOM 723 O ASP A 45 3.354 -17.033 0.973 1.00 0.00 O ATOM 724 CB ASP A 45 0.055 -17.748 1.082 1.00 0.00 C ATOM 725 CG ASP A 45 -1.263 -17.572 1.832 1.00 0.00 C ATOM 726 OD1 ASP A 45 -1.214 -17.411 3.040 1.00 0.00 O ATOM 727 OD2 ASP A 45 -2.296 -17.604 1.187 1.00 0.00 O ATOM 0 H ASP A 45 0.782 -15.424 1.620 1.00 0.00 H new ATOM 0 HA ASP A 45 1.105 -17.980 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.080 -17.089 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.138 -18.769 0.710 1.00 0.00 H new ATOM 732 N LYS A 46 2.718 -19.178 1.209 1.00 0.00 N ATOM 733 CA LYS A 46 3.925 -19.713 0.589 1.00 0.00 C ATOM 734 C LYS A 46 3.713 -19.880 -0.911 1.00 0.00 C ATOM 735 O LYS A 46 2.586 -20.076 -1.367 1.00 0.00 O ATOM 736 CB LYS A 46 4.276 -21.067 1.211 1.00 0.00 C ATOM 737 CG LYS A 46 5.674 -21.486 0.752 1.00 0.00 C ATOM 738 CD LYS A 46 6.062 -22.798 1.435 1.00 0.00 C ATOM 739 CE LYS A 46 7.455 -23.225 0.970 1.00 0.00 C ATOM 740 NZ LYS A 46 8.457 -22.211 1.407 1.00 0.00 N ATOM 0 H LYS A 46 2.051 -19.885 1.517 1.00 0.00 H new ATOM 0 HA LYS A 46 4.745 -19.015 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.242 -21.000 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.543 -21.817 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.692 -21.608 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.397 -20.708 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.051 -22.673 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.334 -23.573 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.705 -24.201 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.473 -23.326 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.406 -22.637 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.438 -21.401 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.227 -21.887 2.368 1.00 0.00 H new ATOM 754 N ASP A 47 4.797 -19.798 -1.672 1.00 0.00 N ATOM 755 CA ASP A 47 4.720 -19.939 -3.122 1.00 0.00 C ATOM 756 C ASP A 47 3.859 -18.834 -3.723 1.00 0.00 C ATOM 757 O ASP A 47 3.060 -19.080 -4.628 1.00 0.00 O ATOM 758 CB ASP A 47 4.130 -21.301 -3.490 1.00 0.00 C ATOM 759 CG ASP A 47 4.385 -21.603 -4.964 1.00 0.00 C ATOM 760 OD1 ASP A 47 5.542 -21.623 -5.349 1.00 0.00 O ATOM 761 OD2 ASP A 47 3.423 -21.809 -5.682 1.00 0.00 O ATOM 0 H ASP A 47 5.737 -19.635 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 47 5.730 -19.861 -3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.575 -22.078 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.059 -21.308 -3.290 1.00 0.00 H new ATOM 766 N VAL A 48 4.030 -17.617 -3.217 1.00 0.00 N ATOM 767 CA VAL A 48 3.266 -16.476 -3.714 1.00 0.00 C ATOM 768 C VAL A 48 4.002 -15.819 -4.874 1.00 0.00 C ATOM 769 O VAL A 48 5.177 -16.098 -5.114 1.00 0.00 O ATOM 770 CB VAL A 48 3.060 -15.453 -2.588 1.00 0.00 C ATOM 771 CG1 VAL A 48 2.256 -14.252 -3.111 1.00 0.00 C ATOM 772 CG2 VAL A 48 2.292 -16.117 -1.440 1.00 0.00 C ATOM 0 H VAL A 48 4.686 -17.395 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 48 2.295 -16.828 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 48 4.031 -15.106 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.114 -13.531 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.799 -13.780 -3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.284 -14.593 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.142 -15.395 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.324 -16.463 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.863 -16.966 -1.063 1.00 0.00 H new ATOM 782 N THR A 49 3.302 -14.947 -5.590 1.00 0.00 N ATOM 783 CA THR A 49 3.887 -14.242 -6.728 1.00 0.00 C ATOM 784 C THR A 49 3.806 -12.737 -6.514 1.00 0.00 C ATOM 785 O THR A 49 2.741 -12.200 -6.206 1.00 0.00 O ATOM 786 CB THR A 49 3.131 -14.611 -8.004 1.00 0.00 C ATOM 787 OG1 THR A 49 3.084 -16.024 -8.131 1.00 0.00 O ATOM 788 CG2 THR A 49 3.836 -14.012 -9.225 1.00 0.00 C ATOM 0 H THR A 49 2.328 -14.710 -5.404 1.00 0.00 H new ATOM 0 HA THR A 49 4.933 -14.534 -6.821 1.00 0.00 H new ATOM 0 HB THR A 49 2.118 -14.212 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.598 -16.263 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.289 -14.281 -10.129 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.869 -12.927 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.852 -14.402 -9.286 1.00 0.00 H new ATOM 796 N LEU A 50 4.938 -12.064 -6.685 1.00 0.00 N ATOM 797 CA LEU A 50 5.006 -10.613 -6.521 1.00 0.00 C ATOM 798 C LEU A 50 3.739 -9.950 -7.054 1.00 0.00 C ATOM 799 O LEU A 50 3.348 -8.878 -6.596 1.00 0.00 O ATOM 800 CB LEU A 50 6.224 -10.059 -7.272 1.00 0.00 C ATOM 801 CG LEU A 50 6.289 -10.654 -8.706 1.00 0.00 C ATOM 802 CD1 LEU A 50 6.725 -9.570 -9.702 1.00 0.00 C ATOM 803 CD2 LEU A 50 7.302 -11.814 -8.759 1.00 0.00 C ATOM 0 H LEU A 50 5.825 -12.500 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 50 5.099 -10.393 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.164 -8.972 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.137 -10.302 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 50 5.298 -11.024 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.768 -9.994 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.007 -8.750 -9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.710 -9.195 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.337 -12.221 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.290 -11.447 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.997 -12.596 -8.063 1.00 0.00 H new ATOM 815 N ASP A 51 3.108 -10.598 -8.026 1.00 0.00 N ATOM 816 CA ASP A 51 1.886 -10.066 -8.615 1.00 0.00 C ATOM 817 C ASP A 51 0.809 -9.921 -7.544 1.00 0.00 C ATOM 818 O ASP A 51 0.149 -8.884 -7.447 1.00 0.00 O ATOM 819 CB ASP A 51 1.385 -11.005 -9.718 1.00 0.00 C ATOM 820 CG ASP A 51 0.106 -10.447 -10.335 1.00 0.00 C ATOM 821 OD1 ASP A 51 -0.375 -9.441 -9.840 1.00 0.00 O ATOM 822 OD2 ASP A 51 -0.373 -11.036 -11.291 1.00 0.00 O ATOM 0 H ASP A 51 3.419 -11.486 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 51 2.101 -9.087 -9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.150 -11.118 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.198 -11.997 -9.306 1.00 0.00 H new ATOM 827 N GLU A 52 0.638 -10.964 -6.737 1.00 0.00 N ATOM 828 CA GLU A 52 -0.359 -10.937 -5.675 1.00 0.00 C ATOM 829 C GLU A 52 -0.002 -9.884 -4.642 1.00 0.00 C ATOM 830 O GLU A 52 -0.866 -9.150 -4.169 1.00 0.00 O ATOM 831 CB GLU A 52 -0.441 -12.310 -4.995 1.00 0.00 C ATOM 832 CG GLU A 52 -0.991 -13.339 -5.985 1.00 0.00 C ATOM 833 CD GLU A 52 -2.439 -13.015 -6.331 1.00 0.00 C ATOM 834 OE1 GLU A 52 -3.073 -12.322 -5.551 1.00 0.00 O ATOM 835 OE2 GLU A 52 -2.894 -13.460 -7.371 1.00 0.00 O ATOM 0 H GLU A 52 1.172 -11.831 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.325 -10.692 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.546 -12.615 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.084 -12.255 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.385 -13.343 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.927 -14.338 -5.555 1.00 0.00 H new ATOM 842 N LEU A 53 1.274 -9.808 -4.302 1.00 0.00 N ATOM 843 CA LEU A 53 1.719 -8.832 -3.325 1.00 0.00 C ATOM 844 C LEU A 53 1.461 -7.425 -3.834 1.00 0.00 C ATOM 845 O LEU A 53 1.052 -6.553 -3.079 1.00 0.00 O ATOM 846 CB LEU A 53 3.215 -9.012 -3.032 1.00 0.00 C ATOM 847 CG LEU A 53 3.705 -7.933 -2.048 1.00 0.00 C ATOM 848 CD1 LEU A 53 2.875 -7.977 -0.754 1.00 0.00 C ATOM 849 CD2 LEU A 53 5.182 -8.186 -1.723 1.00 0.00 C ATOM 0 H LEU A 53 2.010 -10.402 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 53 1.158 -8.986 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.393 -10.002 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.783 -8.951 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 53 3.589 -6.950 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.231 -7.210 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.826 -7.796 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.979 -8.957 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.537 -7.426 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.291 -9.172 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.769 -8.140 -2.640 1.00 0.00 H new ATOM 861 N LEU A 54 1.726 -7.211 -5.114 1.00 0.00 N ATOM 862 CA LEU A 54 1.538 -5.891 -5.705 1.00 0.00 C ATOM 863 C LEU A 54 0.063 -5.484 -5.642 1.00 0.00 C ATOM 864 O LEU A 54 -0.284 -4.349 -5.301 1.00 0.00 O ATOM 865 CB LEU A 54 2.017 -5.907 -7.168 1.00 0.00 C ATOM 866 CG LEU A 54 2.554 -4.521 -7.571 1.00 0.00 C ATOM 867 CD1 LEU A 54 1.492 -3.444 -7.288 1.00 0.00 C ATOM 868 CD2 LEU A 54 3.858 -4.210 -6.790 1.00 0.00 C ATOM 0 H LEU A 54 2.068 -7.924 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 54 2.123 -5.164 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.798 -6.657 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.194 -6.190 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 54 2.777 -4.521 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.879 -2.467 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.592 -3.661 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.252 -3.440 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.231 -3.228 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.652 -4.217 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.609 -4.966 -7.020 1.00 0.00 H new ATOM 880 N ASP A 55 -0.805 -6.413 -5.984 1.00 0.00 N ATOM 881 CA ASP A 55 -2.229 -6.127 -5.974 1.00 0.00 C ATOM 882 C ASP A 55 -2.741 -6.002 -4.539 1.00 0.00 C ATOM 883 O ASP A 55 -3.541 -5.118 -4.227 1.00 0.00 O ATOM 884 CB ASP A 55 -2.985 -7.239 -6.708 1.00 0.00 C ATOM 885 CG ASP A 55 -2.933 -7.020 -8.221 1.00 0.00 C ATOM 886 OD1 ASP A 55 -2.407 -6.003 -8.641 1.00 0.00 O ATOM 887 OD2 ASP A 55 -3.430 -7.874 -8.937 1.00 0.00 O ATOM 0 H ASP A 55 -0.557 -7.361 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.400 -5.179 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.549 -8.207 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.022 -7.262 -6.374 1.00 0.00 H new ATOM 892 N VAL A 56 -2.284 -6.902 -3.678 1.00 0.00 N ATOM 893 CA VAL A 56 -2.717 -6.897 -2.286 1.00 0.00 C ATOM 894 C VAL A 56 -2.215 -5.653 -1.560 1.00 0.00 C ATOM 895 O VAL A 56 -2.988 -4.959 -0.905 1.00 0.00 O ATOM 896 CB VAL A 56 -2.195 -8.149 -1.575 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.447 -8.039 -0.066 1.00 0.00 C ATOM 898 CG2 VAL A 56 -2.916 -9.389 -2.122 1.00 0.00 C ATOM 0 H VAL A 56 -1.620 -7.639 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.807 -6.891 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.124 -8.239 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.073 -8.934 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.931 -7.163 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.517 -7.942 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.544 -10.279 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.988 -9.293 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.729 -9.476 -3.192 1.00 0.00 H new ATOM 908 N VAL A 57 -0.920 -5.393 -1.661 1.00 0.00 N ATOM 909 CA VAL A 57 -0.338 -4.244 -0.988 1.00 0.00 C ATOM 910 C VAL A 57 -1.022 -2.971 -1.455 1.00 0.00 C ATOM 911 O VAL A 57 -1.350 -2.105 -0.646 1.00 0.00 O ATOM 912 CB VAL A 57 1.166 -4.162 -1.285 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.379 -3.749 -2.741 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.823 -3.138 -0.361 1.00 0.00 C ATOM 0 H VAL A 57 -0.259 -5.956 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.482 -4.357 0.087 1.00 0.00 H new ATOM 0 HB VAL A 57 1.618 -5.139 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.447 -3.691 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.920 -4.486 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.922 -2.774 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.890 -3.085 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.371 -2.159 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.677 -3.438 0.677 1.00 0.00 H new ATOM 924 N LEU A 58 -1.239 -2.861 -2.764 1.00 0.00 N ATOM 925 CA LEU A 58 -1.885 -1.673 -3.306 1.00 0.00 C ATOM 926 C LEU A 58 -3.278 -1.509 -2.706 1.00 0.00 C ATOM 927 O LEU A 58 -3.631 -0.443 -2.202 1.00 0.00 O ATOM 928 CB LEU A 58 -1.990 -1.798 -4.830 1.00 0.00 C ATOM 929 CG LEU A 58 -2.704 -0.571 -5.416 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.936 0.711 -5.048 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.783 -0.713 -6.940 1.00 0.00 C ATOM 0 H LEU A 58 -0.982 -3.566 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.288 -0.797 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.994 -1.890 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.536 -2.704 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.711 -0.506 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.450 1.576 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.889 0.808 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.925 0.658 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.289 0.156 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.776 -0.781 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.340 -1.615 -7.193 1.00 0.00 H new ATOM 943 N ASP A 59 -4.068 -2.565 -2.782 1.00 0.00 N ATOM 944 CA ASP A 59 -5.420 -2.525 -2.250 1.00 0.00 C ATOM 945 C ASP A 59 -5.381 -2.270 -0.751 1.00 0.00 C ATOM 946 O ASP A 59 -6.290 -1.664 -0.190 1.00 0.00 O ATOM 947 CB ASP A 59 -6.146 -3.840 -2.534 1.00 0.00 C ATOM 948 CG ASP A 59 -6.460 -3.954 -4.022 1.00 0.00 C ATOM 949 OD1 ASP A 59 -6.349 -2.953 -4.713 1.00 0.00 O ATOM 950 OD2 ASP A 59 -6.811 -5.042 -4.449 1.00 0.00 O ATOM 0 H ASP A 59 -3.801 -3.455 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.961 -1.715 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.528 -4.681 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.068 -3.888 -1.955 1.00 0.00 H new ATOM 955 N ALA A 60 -4.328 -2.754 -0.101 1.00 0.00 N ATOM 956 CA ALA A 60 -4.184 -2.582 1.340 1.00 0.00 C ATOM 957 C ALA A 60 -4.091 -1.103 1.712 1.00 0.00 C ATOM 958 O ALA A 60 -4.862 -0.607 2.538 1.00 0.00 O ATOM 959 CB ALA A 60 -2.921 -3.300 1.820 1.00 0.00 C ATOM 0 H ALA A 60 -3.566 -3.266 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.064 -3.008 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.816 -3.170 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.996 -4.362 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.050 -2.880 1.317 1.00 0.00 H new ATOM 965 N VAL A 61 -3.147 -0.399 1.093 1.00 0.00 N ATOM 966 CA VAL A 61 -2.965 1.022 1.371 1.00 0.00 C ATOM 967 C VAL A 61 -4.153 1.829 0.857 1.00 0.00 C ATOM 968 O VAL A 61 -4.588 2.786 1.494 1.00 0.00 O ATOM 969 CB VAL A 61 -1.676 1.529 0.719 1.00 0.00 C ATOM 970 CG1 VAL A 61 -0.475 0.845 1.373 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.685 1.198 -0.771 1.00 0.00 C ATOM 0 H VAL A 61 -2.503 -0.784 0.403 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.895 1.151 2.451 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.608 2.609 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.444 1.204 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.460 1.076 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.552 -0.234 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.765 1.561 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.755 0.118 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.541 1.678 -1.245 1.00 0.00 H new ATOM 981 N GLU A 62 -4.666 1.438 -0.305 1.00 0.00 N ATOM 982 CA GLU A 62 -5.799 2.136 -0.899 1.00 0.00 C ATOM 983 C GLU A 62 -7.049 1.957 -0.049 1.00 0.00 C ATOM 984 O GLU A 62 -7.785 2.915 0.205 1.00 0.00 O ATOM 985 CB GLU A 62 -6.054 1.600 -2.310 1.00 0.00 C ATOM 986 CG GLU A 62 -7.161 2.420 -2.974 1.00 0.00 C ATOM 987 CD GLU A 62 -7.373 1.947 -4.408 1.00 0.00 C ATOM 988 OE1 GLU A 62 -6.525 1.221 -4.902 1.00 0.00 O ATOM 989 OE2 GLU A 62 -8.376 2.319 -4.993 1.00 0.00 O ATOM 0 H GLU A 62 -4.319 0.649 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.563 3.199 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.141 1.655 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.342 0.550 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.088 2.320 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.896 3.477 -2.967 1.00 0.00 H new ATOM 996 N SER A 63 -7.289 0.728 0.392 1.00 0.00 N ATOM 997 CA SER A 63 -8.453 0.432 1.215 1.00 0.00 C ATOM 998 C SER A 63 -8.389 1.206 2.524 1.00 0.00 C ATOM 999 O SER A 63 -9.382 1.783 2.962 1.00 0.00 O ATOM 1000 CB SER A 63 -8.517 -1.067 1.508 1.00 0.00 C ATOM 1001 OG SER A 63 -7.327 -1.464 2.181 1.00 0.00 O ATOM 0 H SER A 63 -6.695 -0.077 0.194 1.00 0.00 H new ATOM 0 HA SER A 63 -9.348 0.733 0.671 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.389 -1.293 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.628 -1.627 0.579 1.00 0.00 H new ATOM 0 HG SER A 63 -6.581 -1.477 1.546 1.00 0.00 H new ATOM 1007 N THR A 64 -7.213 1.211 3.148 1.00 0.00 N ATOM 1008 CA THR A 64 -7.043 1.922 4.409 1.00 0.00 C ATOM 1009 C THR A 64 -7.312 3.409 4.224 1.00 0.00 C ATOM 1010 O THR A 64 -8.067 4.012 4.986 1.00 0.00 O ATOM 1011 CB THR A 64 -5.621 1.719 4.932 1.00 0.00 C ATOM 1012 OG1 THR A 64 -4.694 1.983 3.889 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.453 0.278 5.413 1.00 0.00 C ATOM 0 H THR A 64 -6.376 0.738 2.806 1.00 0.00 H new ATOM 0 HA THR A 64 -7.756 1.523 5.131 1.00 0.00 H new ATOM 0 HB THR A 64 -5.438 2.400 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.179 2.127 3.049 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.439 0.135 5.786 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.165 0.076 6.213 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.635 -0.406 4.584 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.691 3.997 3.202 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.868 5.422 2.918 1.00 0.00 C ATOM 1023 C LEU A 65 -7.846 5.613 1.760 1.00 0.00 C ATOM 1024 O LEU A 65 -7.526 5.321 0.607 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.510 6.054 2.562 1.00 0.00 C ATOM 1026 CG LEU A 65 -4.732 6.379 3.844 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -4.484 5.094 4.644 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -3.391 7.020 3.475 1.00 0.00 C ATOM 0 H LEU A 65 -6.064 3.512 2.560 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.272 5.910 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.933 5.370 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.664 6.962 1.979 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.314 7.071 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.931 5.332 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.439 4.640 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.905 4.395 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.836 7.252 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.813 6.327 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.568 7.938 2.914 1.00 0.00 H new ATOM 1040 N SER A 66 -9.031 6.120 2.081 1.00 0.00 N ATOM 1041 CA SER A 66 -10.048 6.371 1.074 1.00 0.00 C ATOM 1042 C SER A 66 -9.707 7.634 0.287 1.00 0.00 C ATOM 1043 O SER A 66 -9.755 7.641 -0.946 1.00 0.00 O ATOM 1044 CB SER A 66 -11.428 6.509 1.749 1.00 0.00 C ATOM 1045 OG SER A 66 -12.298 5.504 1.246 1.00 0.00 O ATOM 0 H SER A 66 -9.308 6.364 3.032 1.00 0.00 H new ATOM 0 HA SER A 66 -10.080 5.531 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.328 6.412 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.844 7.497 1.554 1.00 0.00 H new ATOM 0 HG SER A 66 -13.176 5.587 1.674 1.00 0.00 H new ATOM 1051 N PRO A 67 -9.375 8.706 0.970 1.00 0.00 N ATOM 1052 CA PRO A 67 -9.040 9.997 0.320 1.00 0.00 C ATOM 1053 C PRO A 67 -7.606 10.019 -0.193 1.00 0.00 C ATOM 1054 O PRO A 67 -6.688 9.554 0.483 1.00 0.00 O ATOM 1055 CB PRO A 67 -9.262 11.026 1.440 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.015 10.289 2.723 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.268 8.792 2.442 1.00 0.00 C ATOM 0 HA PRO A 67 -9.648 10.195 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.581 11.871 1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.275 11.427 1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.994 10.449 3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.678 10.651 3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.452 8.174 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.180 8.445 2.927 1.00 0.00 H new ATOM 1065 N CYS A 68 -7.419 10.566 -1.393 1.00 0.00 N ATOM 1066 CA CYS A 68 -6.090 10.654 -1.992 1.00 0.00 C ATOM 1067 C CYS A 68 -5.825 12.067 -2.505 1.00 0.00 C ATOM 1068 O CYS A 68 -5.118 12.845 -1.868 1.00 0.00 O ATOM 1069 CB CYS A 68 -5.968 9.654 -3.143 1.00 0.00 C ATOM 1070 SG CYS A 68 -6.482 8.015 -2.573 1.00 0.00 S ATOM 0 H CYS A 68 -8.168 10.953 -1.967 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.350 10.416 -1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.588 9.971 -3.982 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.939 9.620 -3.502 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.381 7.164 -3.551 1.00 0.00 H new ATOM 1076 N LYS A 69 -6.398 12.391 -3.658 1.00 0.00 N ATOM 1077 CA LYS A 69 -6.211 13.714 -4.243 1.00 0.00 C ATOM 1078 C LYS A 69 -6.838 14.783 -3.355 1.00 0.00 C ATOM 1079 O LYS A 69 -6.699 15.981 -3.602 1.00 0.00 O ATOM 1080 CB LYS A 69 -6.832 13.746 -5.647 1.00 0.00 C ATOM 1081 CG LYS A 69 -6.480 15.062 -6.350 1.00 0.00 C ATOM 1082 CD LYS A 69 -6.989 15.031 -7.788 1.00 0.00 C ATOM 1083 CE LYS A 69 -6.599 16.337 -8.482 1.00 0.00 C ATOM 1084 NZ LYS A 69 -7.075 16.308 -9.891 1.00 0.00 N ATOM 0 H LYS A 69 -6.990 11.763 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.144 13.923 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.467 12.903 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.915 13.641 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.925 15.901 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.401 15.213 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.563 14.180 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.072 14.906 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.036 17.186 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.517 16.468 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.811 17.195 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.638 15.506 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.110 16.202 -9.906 1.00 0.00 H new ATOM 1098 N GLU A 70 -7.523 14.348 -2.312 1.00 0.00 N ATOM 1099 CA GLU A 70 -8.164 15.288 -1.407 1.00 0.00 C ATOM 1100 C GLU A 70 -7.119 16.001 -0.556 1.00 0.00 C ATOM 1101 O GLU A 70 -7.455 16.836 0.284 1.00 0.00 O ATOM 1102 CB GLU A 70 -9.143 14.546 -0.499 1.00 0.00 C ATOM 1103 CG GLU A 70 -10.267 13.934 -1.338 1.00 0.00 C ATOM 1104 CD GLU A 70 -11.106 15.038 -1.972 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -11.059 16.150 -1.471 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -11.779 14.758 -2.948 1.00 0.00 O ATOM 0 H GLU A 70 -7.649 13.365 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.704 16.028 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.621 13.764 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.560 15.232 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.846 13.295 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.896 13.302 -0.712 1.00 0.00 H new ATOM 1113 N HIS A 71 -5.847 15.673 -0.788 1.00 0.00 N ATOM 1114 CA HIS A 71 -4.748 16.293 -0.047 1.00 0.00 C ATOM 1115 C HIS A 71 -3.679 16.795 -1.010 1.00 0.00 C ATOM 1116 O HIS A 71 -2.884 16.015 -1.539 1.00 0.00 O ATOM 1117 CB HIS A 71 -4.137 15.280 0.922 1.00 0.00 C ATOM 1118 CG HIS A 71 -5.086 15.047 2.068 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -5.162 15.911 3.149 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -6.001 14.054 2.316 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -6.094 15.426 3.990 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -6.637 14.296 3.528 1.00 0.00 N ATOM 0 H HIS A 71 -5.553 14.984 -1.481 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.139 17.139 0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.936 14.341 0.405 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.182 15.649 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.197 13.213 1.668 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.369 15.893 4.924 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.363 13.732 3.970 1.00 0.00 H new ATOM 1130 N ASP A 72 -3.667 18.106 -1.232 1.00 0.00 N ATOM 1131 CA ASP A 72 -2.693 18.711 -2.131 1.00 0.00 C ATOM 1132 C ASP A 72 -1.285 18.576 -1.565 1.00 0.00 C ATOM 1133 O ASP A 72 -0.332 18.327 -2.303 1.00 0.00 O ATOM 1134 CB ASP A 72 -3.020 20.191 -2.342 1.00 0.00 C ATOM 1135 CG ASP A 72 -2.102 20.780 -3.408 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -1.030 20.232 -3.607 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -2.487 21.768 -4.013 1.00 0.00 O ATOM 0 H ASP A 72 -4.317 18.765 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.740 18.190 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.061 20.303 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.900 20.736 -1.406 1.00 0.00 H new ATOM 1142 N VAL A 73 -1.159 18.749 -0.253 1.00 0.00 N ATOM 1143 CA VAL A 73 0.143 18.649 0.394 1.00 0.00 C ATOM 1144 C VAL A 73 0.714 17.244 0.243 1.00 0.00 C ATOM 1145 O VAL A 73 1.877 17.075 -0.120 1.00 0.00 O ATOM 1146 CB VAL A 73 0.010 18.981 1.884 1.00 0.00 C ATOM 1147 CG1 VAL A 73 1.358 18.774 2.581 1.00 0.00 C ATOM 1148 CG2 VAL A 73 -0.432 20.438 2.043 1.00 0.00 C ATOM 0 H VAL A 73 -1.934 18.957 0.377 1.00 0.00 H new ATOM 0 HA VAL A 73 0.818 19.359 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.733 18.324 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.260 19.011 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.670 17.736 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.105 19.428 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.527 20.676 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.310 21.095 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.394 20.582 1.551 1.00 0.00 H new ATOM 1158 N ILE A 74 -0.109 16.239 0.523 1.00 0.00 N ATOM 1159 CA ILE A 74 0.339 14.859 0.414 1.00 0.00 C ATOM 1160 C ILE A 74 0.607 14.489 -1.034 1.00 0.00 C ATOM 1161 O ILE A 74 1.711 14.063 -1.368 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.723 13.918 0.985 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -0.877 14.183 2.485 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -0.299 12.461 0.767 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -2.084 13.413 3.035 1.00 0.00 C ATOM 0 H ILE A 74 -1.077 16.353 0.823 1.00 0.00 H new ATOM 0 HA ILE A 74 1.265 14.759 0.981 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.672 14.095 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.028 13.879 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.005 15.251 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.059 11.796 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.186 12.271 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.651 12.279 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.185 13.608 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.988 13.738 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.938 12.345 2.874 1.00 0.00 H new ATOM 1177 N GLY A 75 -0.413 14.665 -1.891 1.00 0.00 N ATOM 1178 CA GLY A 75 -0.292 14.340 -3.317 1.00 0.00 C ATOM 1179 C GLY A 75 0.661 13.160 -3.531 1.00 0.00 C ATOM 1180 O GLY A 75 0.875 12.354 -2.629 1.00 0.00 O ATOM 0 H GLY A 75 -1.326 15.029 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.274 14.098 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.073 15.210 -3.863 1.00 0.00 H new ATOM 1184 N THR A 76 1.238 13.073 -4.718 1.00 0.00 N ATOM 1185 CA THR A 76 2.178 12.001 -5.029 1.00 0.00 C ATOM 1186 C THR A 76 1.442 10.676 -5.174 1.00 0.00 C ATOM 1187 O THR A 76 1.611 9.958 -6.161 1.00 0.00 O ATOM 1188 CB THR A 76 3.245 11.898 -3.919 1.00 0.00 C ATOM 1189 OG1 THR A 76 3.524 13.194 -3.407 1.00 0.00 O ATOM 1190 CG2 THR A 76 4.530 11.290 -4.488 1.00 0.00 C ATOM 0 H THR A 76 1.075 13.728 -5.482 1.00 0.00 H new ATOM 0 HA THR A 76 2.670 12.229 -5.974 1.00 0.00 H new ATOM 0 HB THR A 76 2.868 11.261 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.971 13.359 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.279 11.220 -3.700 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.320 10.294 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.907 11.922 -5.292 1.00 0.00 H new ATOM 1198 N LYS A 77 0.621 10.360 -4.184 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.136 9.124 -4.207 1.00 0.00 C ATOM 1200 C LYS A 77 -1.109 9.122 -5.375 1.00 0.00 C ATOM 1201 O LYS A 77 -1.498 8.063 -5.864 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.900 8.966 -2.893 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.617 10.267 -2.539 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.626 10.007 -1.420 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.909 9.434 -0.193 1.00 0.00 C ATOM 1206 NZ LYS A 77 -2.771 9.617 1.012 1.00 0.00 N ATOM 0 H LYS A 77 0.464 10.941 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 77 0.554 8.289 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.624 8.156 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.211 8.693 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.894 11.019 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.126 10.664 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.135 10.934 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.391 9.310 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.695 8.376 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.952 9.936 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.254 9.307 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.024 10.621 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.637 9.051 0.909 1.00 0.00 H new ATOM 1220 N VAL A 78 -1.497 10.309 -5.820 1.00 0.00 N ATOM 1221 CA VAL A 78 -2.424 10.418 -6.938 1.00 0.00 C ATOM 1222 C VAL A 78 -1.804 9.834 -8.205 1.00 0.00 C ATOM 1223 O VAL A 78 -2.409 9.008 -8.887 1.00 0.00 O ATOM 1224 CB VAL A 78 -2.774 11.887 -7.175 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -3.652 12.017 -8.424 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -3.523 12.438 -5.964 1.00 0.00 C ATOM 0 H VAL A 78 -1.189 11.200 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.328 9.859 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.855 12.454 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.898 13.066 -8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.113 11.631 -9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.570 11.446 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.771 13.485 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.440 11.868 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.894 12.355 -5.078 1.00 0.00 H new ATOM 1236 N CYS A 79 -0.585 10.264 -8.511 1.00 0.00 N ATOM 1237 CA CYS A 79 0.104 9.772 -9.698 1.00 0.00 C ATOM 1238 C CYS A 79 0.490 8.311 -9.521 1.00 0.00 C ATOM 1239 O CYS A 79 0.436 7.528 -10.466 1.00 0.00 O ATOM 1240 CB CYS A 79 1.356 10.607 -9.962 1.00 0.00 C ATOM 1241 SG CYS A 79 0.870 12.292 -10.408 1.00 0.00 S ATOM 0 H CYS A 79 -0.059 10.944 -7.962 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.571 9.858 -10.550 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.990 10.622 -9.076 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.942 10.161 -10.766 1.00 0.00 H new ATOM 0 HG CYS A 79 1.933 13.006 -10.631 1.00 0.00 H new ATOM 1247 N ALA A 80 0.890 7.954 -8.305 1.00 0.00 N ATOM 1248 CA ALA A 80 1.289 6.580 -8.021 1.00 0.00 C ATOM 1249 C ALA A 80 0.106 5.630 -8.157 1.00 0.00 C ATOM 1250 O ALA A 80 0.202 4.598 -8.815 1.00 0.00 O ATOM 1251 CB ALA A 80 1.854 6.485 -6.605 1.00 0.00 C ATOM 0 H ALA A 80 0.946 8.589 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 80 2.053 6.292 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.150 5.456 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.723 7.137 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.093 6.794 -5.888 1.00 0.00 H new ATOM 1257 N LEU A 81 -1.005 5.975 -7.523 1.00 0.00 N ATOM 1258 CA LEU A 81 -2.183 5.122 -7.579 1.00 0.00 C ATOM 1259 C LEU A 81 -2.688 4.987 -9.010 1.00 0.00 C ATOM 1260 O LEU A 81 -2.962 3.883 -9.478 1.00 0.00 O ATOM 1261 CB LEU A 81 -3.295 5.716 -6.695 1.00 0.00 C ATOM 1262 CG LEU A 81 -4.563 4.851 -6.771 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -4.249 3.412 -6.333 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -5.641 5.450 -5.857 1.00 0.00 C ATOM 0 H LEU A 81 -1.116 6.826 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.909 4.132 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.952 5.779 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.521 6.732 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.925 4.833 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.155 2.808 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.489 2.989 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.881 3.416 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.542 4.839 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.276 5.473 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.871 6.464 -6.183 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.797 6.113 -9.703 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.265 6.096 -11.080 1.00 0.00 C ATOM 1278 C LEU A 82 -2.288 5.334 -11.964 1.00 0.00 C ATOM 1279 O LEU A 82 -2.688 4.576 -12.849 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.444 7.539 -11.580 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.878 8.029 -11.286 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.891 7.322 -12.222 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -5.244 7.755 -9.807 1.00 0.00 C ATOM 0 H LEU A 82 -2.570 7.038 -9.339 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.227 5.586 -11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.721 8.193 -11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.247 7.588 -12.651 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.922 9.103 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.898 7.677 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.645 7.546 -13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.844 6.245 -12.062 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.258 8.105 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.186 6.685 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.547 8.282 -9.156 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.007 5.538 -11.719 1.00 0.00 N ATOM 1296 CA ASP A 83 0.012 4.870 -12.498 1.00 0.00 C ATOM 1297 C ASP A 83 -0.109 3.359 -12.332 1.00 0.00 C ATOM 1298 O ASP A 83 -0.074 2.611 -13.310 1.00 0.00 O ATOM 1299 CB ASP A 83 1.398 5.342 -12.039 1.00 0.00 C ATOM 1300 CG ASP A 83 1.739 6.697 -12.660 1.00 0.00 C ATOM 1301 OD1 ASP A 83 0.978 7.162 -13.494 1.00 0.00 O ATOM 1302 OD2 ASP A 83 2.757 7.255 -12.286 1.00 0.00 O ATOM 0 H ASP A 83 -0.651 6.157 -10.991 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.121 5.116 -13.551 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.420 5.418 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.151 4.606 -12.322 1.00 0.00 H new ATOM 1307 N ARG A 84 -0.262 2.917 -11.087 1.00 0.00 N ATOM 1308 CA ARG A 84 -0.384 1.494 -10.809 1.00 0.00 C ATOM 1309 C ARG A 84 -1.683 0.943 -11.381 1.00 0.00 C ATOM 1310 O ARG A 84 -1.724 -0.176 -11.891 1.00 0.00 O ATOM 1311 CB ARG A 84 -0.345 1.239 -9.303 1.00 0.00 C ATOM 1312 CG ARG A 84 1.058 1.540 -8.775 1.00 0.00 C ATOM 1313 CD ARG A 84 1.088 1.335 -7.260 1.00 0.00 C ATOM 1314 NE ARG A 84 2.426 1.599 -6.742 1.00 0.00 N ATOM 1315 CZ ARG A 84 2.663 1.629 -5.435 1.00 0.00 C ATOM 1316 NH1 ARG A 84 1.688 1.428 -4.591 1.00 0.00 N ATOM 1317 NH2 ARG A 84 3.867 1.863 -4.994 1.00 0.00 N ATOM 0 H ARG A 84 -0.304 3.518 -10.264 1.00 0.00 H new ATOM 0 HA ARG A 84 0.456 0.986 -11.282 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.079 1.867 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.611 0.204 -9.091 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.787 0.887 -9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.338 2.565 -9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.368 1.998 -6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.791 0.315 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 84 3.193 1.763 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.745 1.248 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.869 1.451 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.629 2.023 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.047 1.886 -3.990 1.00 0.00 H new ATOM 1331 N LEU A 85 -2.744 1.735 -11.288 1.00 0.00 N ATOM 1332 CA LEU A 85 -4.041 1.309 -11.790 1.00 0.00 C ATOM 1333 C LEU A 85 -3.963 1.034 -13.287 1.00 0.00 C ATOM 1334 O LEU A 85 -4.509 0.043 -13.774 1.00 0.00 O ATOM 1335 CB LEU A 85 -5.092 2.395 -11.523 1.00 0.00 C ATOM 1336 CG LEU A 85 -6.452 1.982 -12.117 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -6.904 0.639 -11.519 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -7.490 3.063 -11.803 1.00 0.00 C ATOM 0 H LEU A 85 -2.732 2.667 -10.873 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.329 0.394 -11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.191 2.559 -10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.768 3.339 -11.961 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.354 1.871 -13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.866 0.356 -11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.165 -0.129 -11.749 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.001 0.736 -10.438 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.454 2.774 -12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.583 3.176 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.173 4.010 -12.241 1.00 0.00 H new ATOM 1350 N ALA A 86 -3.289 1.916 -14.011 1.00 0.00 N ATOM 1351 CA ALA A 86 -3.155 1.759 -15.453 1.00 0.00 C ATOM 1352 C ALA A 86 -2.447 0.450 -15.784 1.00 0.00 C ATOM 1353 O ALA A 86 -2.609 -0.095 -16.876 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.368 2.932 -16.036 1.00 0.00 C ATOM 0 H ALA A 86 -2.829 2.742 -13.628 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.152 1.740 -15.893 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.273 2.806 -17.115 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.893 3.863 -15.824 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.376 2.964 -15.586 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.657 -0.047 -14.833 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.915 -1.297 -15.022 1.00 0.00 C ATOM 1362 C GLY A 87 0.582 -1.029 -15.090 1.00 0.00 C ATOM 1363 O GLY A 87 1.316 -1.722 -15.795 1.00 0.00 O ATOM 0 H GLY A 87 -1.513 0.394 -13.925 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.130 -1.981 -14.201 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.244 -1.786 -15.939 1.00 0.00 H new ATOM 1367 N ASP A 88 1.032 -0.019 -14.354 1.00 0.00 N ATOM 1368 CA ASP A 88 2.447 0.325 -14.340 1.00 0.00 C ATOM 1369 C ASP A 88 3.227 -0.625 -13.442 1.00 0.00 C ATOM 1370 O ASP A 88 4.209 -1.229 -13.876 1.00 0.00 O ATOM 1371 CB ASP A 88 2.640 1.759 -13.849 1.00 0.00 C ATOM 1372 CG ASP A 88 2.108 2.734 -14.892 1.00 0.00 C ATOM 1373 OD1 ASP A 88 1.917 2.314 -16.022 1.00 0.00 O ATOM 1374 OD2 ASP A 88 1.898 3.885 -14.548 1.00 0.00 O ATOM 0 H ASP A 88 0.443 0.570 -13.765 1.00 0.00 H new ATOM 0 HA ASP A 88 2.823 0.237 -15.359 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.118 1.903 -12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.697 1.951 -13.663 1.00 0.00 H new ATOM 1379 N TYR A 89 2.775 -0.755 -12.192 1.00 0.00 N ATOM 1380 CA TYR A 89 3.428 -1.629 -11.226 1.00 0.00 C ATOM 1381 C TYR A 89 4.946 -1.490 -11.314 1.00 0.00 C ATOM 1382 O TYR A 89 5.463 -0.654 -12.051 1.00 0.00 O ATOM 1383 CB TYR A 89 3.023 -3.078 -11.478 1.00 0.00 C ATOM 1384 CG TYR A 89 3.524 -3.515 -12.836 1.00 0.00 C ATOM 1385 CD1 TYR A 89 4.824 -4.015 -12.977 1.00 0.00 C ATOM 1386 CD2 TYR A 89 2.689 -3.409 -13.956 1.00 0.00 C ATOM 1387 CE1 TYR A 89 5.290 -4.407 -14.237 1.00 0.00 C ATOM 1388 CE2 TYR A 89 3.156 -3.804 -15.216 1.00 0.00 C ATOM 1389 CZ TYR A 89 4.456 -4.301 -15.355 1.00 0.00 C ATOM 1390 OH TYR A 89 4.915 -4.688 -16.599 1.00 0.00 O ATOM 0 H TYR A 89 1.958 -0.264 -11.829 1.00 0.00 H new ATOM 0 HA TYR A 89 3.111 -1.336 -10.225 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.436 -3.722 -10.702 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.939 -3.177 -11.430 1.00 0.00 H new ATOM 0 HD1 TYR A 89 5.467 -4.098 -12.113 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.686 -3.023 -13.848 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.293 -4.791 -14.346 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.513 -3.725 -16.080 1.00 0.00 H new ATOM 0 HH TYR A 89 5.888 -4.802 -16.568 1.00 0.00 H new ATOM 1400 N VAL A 90 5.658 -2.301 -10.541 1.00 0.00 N ATOM 1401 CA VAL A 90 7.120 -2.253 -10.538 1.00 0.00 C ATOM 1402 C VAL A 90 7.690 -3.657 -10.416 1.00 0.00 C ATOM 1403 O VAL A 90 6.964 -4.606 -10.121 1.00 0.00 O ATOM 1404 CB VAL A 90 7.617 -1.387 -9.388 1.00 0.00 C ATOM 1405 CG1 VAL A 90 7.082 0.034 -9.558 1.00 0.00 C ATOM 1406 CG2 VAL A 90 7.124 -1.967 -8.065 1.00 0.00 C ATOM 0 H VAL A 90 5.254 -2.995 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 90 7.456 -1.816 -11.478 1.00 0.00 H new ATOM 0 HB VAL A 90 8.707 -1.367 -9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.436 0.657 -8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.436 0.445 -10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.992 0.015 -9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.479 -1.348 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.034 -1.987 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.506 -2.981 -7.947 1.00 0.00 H new ATOM 1416 N TYR A 91 8.996 -3.788 -10.645 1.00 0.00 N ATOM 1417 CA TYR A 91 9.652 -5.089 -10.561 1.00 0.00 C ATOM 1418 C TYR A 91 10.371 -5.224 -9.232 1.00 0.00 C ATOM 1419 O TYR A 91 11.014 -4.284 -8.768 1.00 0.00 O ATOM 1420 CB TYR A 91 10.669 -5.246 -11.689 1.00 0.00 C ATOM 1421 CG TYR A 91 9.957 -5.209 -13.021 1.00 0.00 C ATOM 1422 CD1 TYR A 91 9.113 -6.260 -13.390 1.00 0.00 C ATOM 1423 CD2 TYR A 91 10.137 -4.118 -13.881 1.00 0.00 C ATOM 1424 CE1 TYR A 91 8.449 -6.224 -14.623 1.00 0.00 C ATOM 1425 CE2 TYR A 91 9.473 -4.081 -15.110 1.00 0.00 C ATOM 1426 CZ TYR A 91 8.628 -5.135 -15.484 1.00 0.00 C ATOM 1427 OH TYR A 91 7.972 -5.100 -16.696 1.00 0.00 O ATOM 0 H TYR A 91 9.615 -3.015 -10.888 1.00 0.00 H new ATOM 0 HA TYR A 91 8.889 -5.862 -10.649 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.409 -4.448 -11.639 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.207 -6.187 -11.579 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.973 -7.099 -12.725 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.789 -3.306 -13.594 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.798 -7.037 -14.909 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.611 -3.239 -15.772 1.00 0.00 H new ATOM 0 HH TYR A 91 8.205 -4.275 -17.171 1.00 0.00 H new ATOM 1437 N LEU A 92 10.254 -6.400 -8.623 1.00 0.00 N ATOM 1438 CA LEU A 92 10.895 -6.655 -7.337 1.00 0.00 C ATOM 1439 C LEU A 92 11.590 -8.006 -7.344 1.00 0.00 C ATOM 1440 O LEU A 92 11.066 -8.983 -7.880 1.00 0.00 O ATOM 1441 CB LEU A 92 9.846 -6.596 -6.214 1.00 0.00 C ATOM 1442 CG LEU A 92 9.006 -7.886 -6.195 1.00 0.00 C ATOM 1443 CD1 LEU A 92 9.708 -9.025 -5.394 1.00 0.00 C ATOM 1444 CD2 LEU A 92 7.621 -7.578 -5.591 1.00 0.00 C ATOM 0 H LEU A 92 9.724 -7.188 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 92 11.649 -5.888 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.341 -6.463 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.196 -5.733 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 92 8.894 -8.239 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.082 -9.917 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.671 -9.252 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.863 -8.703 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.021 -8.488 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.742 -7.205 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.120 -6.823 -6.197 1.00 0.00 H new ATOM 1456 N PHE A 93 12.773 -8.057 -6.739 1.00 0.00 N ATOM 1457 CA PHE A 93 13.535 -9.303 -6.676 1.00 0.00 C ATOM 1458 C PHE A 93 14.427 -9.331 -5.439 1.00 0.00 C ATOM 1459 O PHE A 93 14.669 -8.300 -4.812 1.00 0.00 O ATOM 1460 CB PHE A 93 14.387 -9.461 -7.944 1.00 0.00 C ATOM 1461 CG PHE A 93 14.978 -8.125 -8.314 1.00 0.00 C ATOM 1462 CD1 PHE A 93 14.254 -7.247 -9.130 1.00 0.00 C ATOM 1463 CD2 PHE A 93 16.245 -7.761 -7.845 1.00 0.00 C ATOM 1464 CE1 PHE A 93 14.796 -6.006 -9.477 1.00 0.00 C ATOM 1465 CE2 PHE A 93 16.788 -6.520 -8.193 1.00 0.00 C ATOM 1466 CZ PHE A 93 16.064 -5.642 -9.007 1.00 0.00 C ATOM 0 H PHE A 93 13.223 -7.260 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 93 12.832 -10.134 -6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 93 15.181 -10.189 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.775 -9.841 -8.762 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.276 -7.529 -9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 93 16.803 -8.438 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.238 -5.329 -10.107 1.00 0.00 H new ATOM 0 HE2 PHE A 93 17.767 -6.239 -7.833 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.483 -4.683 -9.273 1.00 0.00 H new ATOM 1476 N ASP A 94 14.911 -10.519 -5.097 1.00 0.00 N ATOM 1477 CA ASP A 94 15.773 -10.674 -3.932 1.00 0.00 C ATOM 1478 C ASP A 94 17.179 -10.179 -4.246 1.00 0.00 C ATOM 1479 O ASP A 94 17.463 -9.760 -5.369 1.00 0.00 O ATOM 1480 CB ASP A 94 15.832 -12.145 -3.513 1.00 0.00 C ATOM 1481 CG ASP A 94 16.405 -12.990 -4.648 1.00 0.00 C ATOM 1482 OD1 ASP A 94 16.623 -12.443 -5.715 1.00 0.00 O ATOM 1483 OD2 ASP A 94 16.616 -14.170 -4.430 1.00 0.00 O ATOM 0 H ASP A 94 14.723 -11.383 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 94 15.360 -10.083 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 94 16.449 -12.253 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.834 -12.498 -3.254 1.00 0.00 H new ATOM 1488 N GLU A 95 18.055 -10.228 -3.249 1.00 0.00 N ATOM 1489 CA GLU A 95 19.431 -9.780 -3.432 1.00 0.00 C ATOM 1490 C GLU A 95 20.211 -10.757 -4.309 1.00 0.00 C ATOM 1491 O GLU A 95 21.433 -10.856 -4.205 1.00 0.00 O ATOM 1492 CB GLU A 95 20.127 -9.650 -2.076 1.00 0.00 C ATOM 1493 CG GLU A 95 19.495 -8.504 -1.287 1.00 0.00 C ATOM 1494 CD GLU A 95 20.186 -8.361 0.064 1.00 0.00 C ATOM 1495 OE1 GLU A 95 21.110 -9.117 0.320 1.00 0.00 O ATOM 1496 OE2 GLU A 95 19.784 -7.494 0.825 1.00 0.00 O ATOM 0 H GLU A 95 17.840 -10.571 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 95 19.406 -8.808 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 95 20.038 -10.582 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.192 -9.464 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.580 -7.574 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 95 18.431 -8.693 -1.143 1.00 0.00 H new ATOM 1503 N GLY A 96 19.494 -11.480 -5.172 1.00 0.00 N ATOM 1504 CA GLY A 96 20.118 -12.455 -6.071 1.00 0.00 C ATOM 1505 C GLY A 96 19.875 -12.073 -7.527 1.00 0.00 C ATOM 1506 O GLY A 96 20.800 -11.674 -8.236 1.00 0.00 O ATOM 0 H GLY A 96 18.481 -11.409 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.189 -12.504 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.713 -13.448 -5.877 1.00 0.00 H new ATOM 1510 N GLY A 97 18.627 -12.202 -7.971 1.00 0.00 N ATOM 1511 CA GLY A 97 18.282 -11.869 -9.345 1.00 0.00 C ATOM 1512 C GLY A 97 16.954 -12.501 -9.742 1.00 0.00 C ATOM 1513 O GLY A 97 16.265 -12.013 -10.637 1.00 0.00 O ATOM 0 H GLY A 97 17.846 -12.532 -7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.222 -10.786 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.069 -12.215 -10.016 1.00 0.00 H new ATOM 1517 N ASP A 98 16.602 -13.591 -9.067 1.00 0.00 N ATOM 1518 CA ASP A 98 15.354 -14.285 -9.356 1.00 0.00 C ATOM 1519 C ASP A 98 14.184 -13.584 -8.671 1.00 0.00 C ATOM 1520 O ASP A 98 14.180 -13.404 -7.452 1.00 0.00 O ATOM 1521 CB ASP A 98 15.443 -15.733 -8.869 1.00 0.00 C ATOM 1522 CG ASP A 98 16.309 -16.561 -9.817 1.00 0.00 C ATOM 1523 OD1 ASP A 98 16.535 -16.116 -10.930 1.00 0.00 O ATOM 1524 OD2 ASP A 98 16.738 -17.630 -9.412 1.00 0.00 O ATOM 0 H ASP A 98 17.159 -14.009 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 98 15.189 -14.273 -10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.864 -15.760 -7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.444 -16.165 -8.808 1.00 0.00 H new ATOM 1529 N GLU A 99 13.196 -13.189 -9.466 1.00 0.00 N ATOM 1530 CA GLU A 99 12.024 -12.506 -8.929 1.00 0.00 C ATOM 1531 C GLU A 99 11.235 -13.438 -8.017 1.00 0.00 C ATOM 1532 O GLU A 99 10.364 -14.178 -8.475 1.00 0.00 O ATOM 1533 CB GLU A 99 11.127 -12.036 -10.075 1.00 0.00 C ATOM 1534 CG GLU A 99 11.833 -10.927 -10.855 1.00 0.00 C ATOM 1535 CD GLU A 99 11.000 -10.531 -12.069 1.00 0.00 C ATOM 1536 OE1 GLU A 99 9.927 -11.089 -12.233 1.00 0.00 O ATOM 1537 OE2 GLU A 99 11.447 -9.677 -12.816 1.00 0.00 O ATOM 0 H GLU A 99 13.182 -13.328 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 99 12.359 -11.645 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.898 -12.871 -10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.178 -11.671 -9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.988 -10.061 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.818 -11.267 -11.175 1.00 0.00 H new ATOM 1544 N VAL A 100 11.545 -13.396 -6.723 1.00 0.00 N ATOM 1545 CA VAL A 100 10.860 -14.239 -5.744 1.00 0.00 C ATOM 1546 C VAL A 100 10.638 -13.478 -4.440 1.00 0.00 C ATOM 1547 O VAL A 100 11.532 -12.790 -3.949 1.00 0.00 O ATOM 1548 CB VAL A 100 11.690 -15.499 -5.477 1.00 0.00 C ATOM 1549 CG1 VAL A 100 12.931 -15.141 -4.650 1.00 0.00 C ATOM 1550 CG2 VAL A 100 10.840 -16.511 -4.705 1.00 0.00 C ATOM 0 H VAL A 100 12.264 -12.789 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 100 9.888 -14.523 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 100 12.005 -15.930 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 100 13.516 -16.041 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 100 13.538 -14.420 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.622 -14.706 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.428 -17.409 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.525 -16.074 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.961 -16.772 -5.294 1.00 0.00 H new ATOM 1560 N ILE A 101 9.437 -13.604 -3.889 1.00 0.00 N ATOM 1561 CA ILE A 101 9.106 -12.920 -2.647 1.00 0.00 C ATOM 1562 C ILE A 101 9.893 -13.515 -1.490 1.00 0.00 C ATOM 1563 O ILE A 101 9.957 -14.734 -1.334 1.00 0.00 O ATOM 1564 CB ILE A 101 7.610 -13.052 -2.365 1.00 0.00 C ATOM 1565 CG1 ILE A 101 6.822 -12.381 -3.495 1.00 0.00 C ATOM 1566 CG2 ILE A 101 7.282 -12.367 -1.034 1.00 0.00 C ATOM 1567 CD1 ILE A 101 5.364 -12.843 -3.445 1.00 0.00 C ATOM 0 H ILE A 101 8.682 -14.169 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 101 9.366 -11.867 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 101 7.338 -14.106 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.875 -11.297 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.262 -12.634 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.215 -12.460 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.847 -12.841 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.550 -11.312 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.803 -12.366 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.321 -13.925 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.928 -12.567 -2.485 1.00 0.00 H new ATOM 1579 N ALA A 102 10.489 -12.651 -0.680 1.00 0.00 N ATOM 1580 CA ALA A 102 11.270 -13.116 0.463 1.00 0.00 C ATOM 1581 C ALA A 102 11.460 -11.989 1.482 1.00 0.00 C ATOM 1582 O ALA A 102 11.125 -10.833 1.212 1.00 0.00 O ATOM 1583 CB ALA A 102 12.640 -13.647 -0.020 1.00 0.00 C ATOM 0 H ALA A 102 10.450 -11.638 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 102 10.729 -13.926 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.219 -13.993 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.486 -14.475 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.182 -12.848 -0.526 1.00 0.00 H new ATOM 1589 N PRO A 103 12.003 -12.299 2.634 1.00 0.00 N ATOM 1590 CA PRO A 103 12.258 -11.286 3.702 1.00 0.00 C ATOM 1591 C PRO A 103 13.043 -10.081 3.168 1.00 0.00 C ATOM 1592 O PRO A 103 12.727 -8.934 3.482 1.00 0.00 O ATOM 1593 CB PRO A 103 13.084 -12.061 4.745 1.00 0.00 C ATOM 1594 CG PRO A 103 12.722 -13.496 4.546 1.00 0.00 C ATOM 1595 CD PRO A 103 12.418 -13.653 3.055 1.00 0.00 C ATOM 0 HA PRO A 103 11.336 -10.870 4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.152 -11.901 4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.848 -11.732 5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.540 -14.150 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.857 -13.767 5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 103 13.294 -13.993 2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.629 -14.385 2.883 1.00 0.00 H new ATOM 1603 N ARG A 104 14.065 -10.351 2.353 1.00 0.00 N ATOM 1604 CA ARG A 104 14.883 -9.285 1.778 1.00 0.00 C ATOM 1605 C ARG A 104 14.544 -9.104 0.308 1.00 0.00 C ATOM 1606 O ARG A 104 15.271 -9.564 -0.573 1.00 0.00 O ATOM 1607 CB ARG A 104 16.370 -9.634 1.914 1.00 0.00 C ATOM 1608 CG ARG A 104 16.691 -10.019 3.378 1.00 0.00 C ATOM 1609 CD ARG A 104 16.736 -11.541 3.525 1.00 0.00 C ATOM 1610 NE ARG A 104 16.687 -11.913 4.930 1.00 0.00 N ATOM 1611 CZ ARG A 104 16.550 -13.182 5.295 1.00 0.00 C ATOM 1612 NH1 ARG A 104 16.454 -14.115 4.387 1.00 0.00 N ATOM 1613 NH2 ARG A 104 16.507 -13.494 6.561 1.00 0.00 N ATOM 0 H ARG A 104 14.343 -11.293 2.079 1.00 0.00 H new ATOM 0 HA ARG A 104 14.676 -8.359 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.620 -10.460 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.981 -8.784 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 104 17.648 -9.589 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.936 -9.604 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.897 -11.990 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 104 17.647 -11.931 3.070 1.00 0.00 H new ATOM 0 HE ARG A 104 16.759 -11.189 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.484 -13.869 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 104 16.349 -15.090 4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 104 16.579 -12.763 7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 104 16.402 -14.469 6.843 1.00 0.00 H new ATOM 1627 N MET A 105 13.428 -8.429 0.050 1.00 0.00 N ATOM 1628 CA MET A 105 12.981 -8.186 -1.318 1.00 0.00 C ATOM 1629 C MET A 105 13.217 -6.733 -1.703 1.00 0.00 C ATOM 1630 O MET A 105 12.909 -5.816 -0.942 1.00 0.00 O ATOM 1631 CB MET A 105 11.489 -8.512 -1.443 1.00 0.00 C ATOM 1632 CG MET A 105 10.738 -7.948 -0.233 1.00 0.00 C ATOM 1633 SD MET A 105 8.964 -7.941 -0.576 1.00 0.00 S ATOM 1634 CE MET A 105 8.527 -6.563 0.515 1.00 0.00 C ATOM 0 H MET A 105 12.817 -8.041 0.769 1.00 0.00 H new ATOM 0 HA MET A 105 13.552 -8.827 -1.989 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.089 -8.086 -2.363 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.346 -9.591 -1.502 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.946 -8.551 0.651 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.082 -6.936 -0.017 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.545 -6.742 0.952 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.268 -6.479 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.505 -5.637 -0.060 1.00 0.00 H new ATOM 1644 N TYR A 106 13.762 -6.529 -2.899 1.00 0.00 N ATOM 1645 CA TYR A 106 14.030 -5.183 -3.395 1.00 0.00 C ATOM 1646 C TYR A 106 12.993 -4.804 -4.441 1.00 0.00 C ATOM 1647 O TYR A 106 13.123 -5.175 -5.608 1.00 0.00 O ATOM 1648 CB TYR A 106 15.433 -5.119 -4.016 1.00 0.00 C ATOM 1649 CG TYR A 106 15.597 -3.817 -4.771 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.843 -2.629 -4.076 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.487 -3.802 -6.168 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.982 -1.426 -4.776 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.626 -2.600 -6.872 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.874 -1.409 -6.175 1.00 0.00 C ATOM 1655 OH TYR A 106 16.010 -0.224 -6.863 1.00 0.00 O ATOM 0 H TYR A 106 14.026 -7.276 -3.541 1.00 0.00 H new ATOM 0 HA TYR A 106 13.977 -4.483 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 106 16.190 -5.196 -3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 106 15.582 -5.963 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.926 -2.640 -2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.294 -4.720 -6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.173 -0.509 -4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.542 -2.590 -7.949 1.00 0.00 H new ATOM 0 HH TYR A 106 15.908 -0.390 -7.823 1.00 0.00 H new ATOM 1665 N CYS A 107 11.966 -4.063 -4.012 1.00 0.00 N ATOM 1666 CA CYS A 107 10.901 -3.623 -4.915 1.00 0.00 C ATOM 1667 C CYS A 107 11.182 -2.223 -5.430 1.00 0.00 C ATOM 1668 O CYS A 107 11.371 -1.287 -4.651 1.00 0.00 O ATOM 1669 CB CYS A 107 9.551 -3.653 -4.199 1.00 0.00 C ATOM 1670 SG CYS A 107 8.307 -2.800 -5.204 1.00 0.00 S ATOM 0 H CYS A 107 11.851 -3.756 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 107 10.868 -4.307 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.245 -4.684 -4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.635 -3.174 -3.224 1.00 0.00 H new ATOM 0 HG CYS A 107 7.160 -2.830 -4.592 1.00 0.00 H new ATOM 1676 N SER A 108 11.209 -2.097 -6.748 1.00 0.00 N ATOM 1677 CA SER A 108 11.468 -0.801 -7.374 1.00 0.00 C ATOM 1678 C SER A 108 11.183 -0.845 -8.874 1.00 0.00 C ATOM 1679 O SER A 108 10.961 -1.916 -9.449 1.00 0.00 O ATOM 1680 CB SER A 108 12.923 -0.381 -7.141 1.00 0.00 C ATOM 1681 OG SER A 108 13.157 -0.233 -5.747 1.00 0.00 O ATOM 0 H SER A 108 11.057 -2.865 -7.402 1.00 0.00 H new ATOM 0 HA SER A 108 10.801 -0.071 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.599 -1.128 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.129 0.557 -7.657 1.00 0.00 H new ATOM 0 HG SER A 108 12.300 -0.152 -5.278 1.00 0.00 H new ATOM 1687 N PHE A 109 11.191 0.328 -9.504 1.00 0.00 N ATOM 1688 CA PHE A 109 10.933 0.413 -10.939 1.00 0.00 C ATOM 1689 C PHE A 109 12.223 0.159 -11.717 1.00 0.00 C ATOM 1690 O PHE A 109 12.576 0.913 -12.622 1.00 0.00 O ATOM 1691 CB PHE A 109 10.357 1.804 -11.290 1.00 0.00 C ATOM 1692 CG PHE A 109 9.289 1.665 -12.355 1.00 0.00 C ATOM 1693 CD1 PHE A 109 9.542 0.911 -13.507 1.00 0.00 C ATOM 1694 CD2 PHE A 109 8.042 2.276 -12.178 1.00 0.00 C ATOM 1695 CE1 PHE A 109 8.549 0.770 -14.483 1.00 0.00 C ATOM 1696 CE2 PHE A 109 7.051 2.133 -13.152 1.00 0.00 C ATOM 1697 CZ PHE A 109 7.303 1.379 -14.304 1.00 0.00 C ATOM 0 H PHE A 109 11.371 1.223 -9.049 1.00 0.00 H new ATOM 0 HA PHE A 109 10.203 -0.347 -11.216 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.936 2.268 -10.398 1.00 0.00 H new ATOM 0 HB3 PHE A 109 11.153 2.458 -11.644 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.503 0.438 -13.643 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.846 2.857 -11.289 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.745 0.191 -15.374 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.089 2.605 -13.016 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.535 1.268 -15.055 1.00 0.00 H new ATOM 1707 N SER A 110 12.929 -0.908 -11.359 1.00 0.00 N ATOM 1708 CA SER A 110 14.177 -1.241 -12.032 1.00 0.00 C ATOM 1709 C SER A 110 14.284 -2.740 -12.219 1.00 0.00 C ATOM 1710 O SER A 110 13.502 -3.501 -11.655 1.00 0.00 O ATOM 1711 CB SER A 110 15.361 -0.741 -11.215 1.00 0.00 C ATOM 1712 OG SER A 110 16.539 -0.809 -12.007 1.00 0.00 O ATOM 0 H SER A 110 12.661 -1.551 -10.614 1.00 0.00 H new ATOM 0 HA SER A 110 14.187 -0.758 -13.009 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.186 0.285 -10.890 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.478 -1.345 -10.315 1.00 0.00 H new ATOM 0 HG SER A 110 17.009 -1.649 -11.822 1.00 0.00 H new ATOM 1718 N ALA A 111 15.254 -3.163 -13.023 1.00 0.00 N ATOM 1719 CA ALA A 111 15.451 -4.586 -13.296 1.00 0.00 C ATOM 1720 C ALA A 111 16.610 -5.139 -12.456 1.00 0.00 C ATOM 1721 O ALA A 111 17.349 -4.381 -11.828 1.00 0.00 O ATOM 1722 CB ALA A 111 15.727 -4.797 -14.804 1.00 0.00 C ATOM 0 H ALA A 111 15.914 -2.546 -13.496 1.00 0.00 H new ATOM 0 HA ALA A 111 14.545 -5.127 -13.023 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.873 -5.859 -15.002 1.00 0.00 H new ATOM 0 HB2 ALA A 111 14.879 -4.433 -15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.624 -4.248 -15.090 1.00 0.00 H new ATOM 1728 N PRO A 112 16.779 -6.437 -12.449 1.00 0.00 N ATOM 1729 CA PRO A 112 17.878 -7.101 -11.686 1.00 0.00 C ATOM 1730 C PRO A 112 19.245 -6.486 -12.004 1.00 0.00 C ATOM 1731 O PRO A 112 20.083 -6.320 -11.118 1.00 0.00 O ATOM 1732 CB PRO A 112 17.815 -8.567 -12.153 1.00 0.00 C ATOM 1733 CG PRO A 112 16.411 -8.772 -12.628 1.00 0.00 C ATOM 1734 CD PRO A 112 15.941 -7.418 -13.164 1.00 0.00 C ATOM 0 HA PRO A 112 17.756 -6.989 -10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 112 18.532 -8.756 -12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 112 18.058 -9.250 -11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 112 16.370 -9.534 -13.406 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.770 -9.113 -11.815 1.00 0.00 H new ATOM 0 HD2 PRO A 112 16.078 -7.347 -14.243 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.881 -7.257 -12.966 1.00 0.00 H new ATOM 1742 N ASP A 113 19.461 -6.154 -13.275 1.00 0.00 N ATOM 1743 CA ASP A 113 20.728 -5.565 -13.697 1.00 0.00 C ATOM 1744 C ASP A 113 20.745 -4.071 -13.403 1.00 0.00 C ATOM 1745 O ASP A 113 21.228 -3.277 -14.210 1.00 0.00 O ATOM 1746 CB ASP A 113 20.940 -5.793 -15.194 1.00 0.00 C ATOM 1747 CG ASP A 113 19.820 -5.133 -15.987 1.00 0.00 C ATOM 1748 OD1 ASP A 113 19.065 -4.379 -15.395 1.00 0.00 O ATOM 1749 OD2 ASP A 113 19.729 -5.394 -17.177 1.00 0.00 O ATOM 0 H ASP A 113 18.781 -6.282 -14.024 1.00 0.00 H new ATOM 0 HA ASP A 113 21.533 -6.045 -13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 113 21.903 -5.383 -15.499 1.00 0.00 H new ATOM 0 HB3 ASP A 113 20.966 -6.862 -15.407 1.00 0.00 H new ATOM 1754 N ASP A 114 20.210 -3.695 -12.243 1.00 0.00 N ATOM 1755 CA ASP A 114 20.163 -2.289 -11.847 1.00 0.00 C ATOM 1756 C ASP A 114 21.449 -1.565 -12.245 1.00 0.00 C ATOM 1757 O ASP A 114 21.350 -0.522 -12.870 1.00 0.00 O ATOM 1758 CB ASP A 114 19.972 -2.178 -10.334 1.00 0.00 C ATOM 1759 CG ASP A 114 18.647 -2.806 -9.923 1.00 0.00 C ATOM 1760 OD1 ASP A 114 17.632 -2.410 -10.473 1.00 0.00 O ATOM 1761 OD2 ASP A 114 18.662 -3.674 -9.066 1.00 0.00 O ATOM 0 H ASP A 114 19.805 -4.340 -11.564 1.00 0.00 H new ATOM 0 HA ASP A 114 19.323 -1.822 -12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 114 20.794 -2.676 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.995 -1.131 -10.033 1.00 0.00 H new