USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 740 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 37 CYS SG : rot -171:sc= -0.0338 USER MOD Set 1.2: A 63 CYS SG : rot 167:sc= -1.08 USER MOD Set 1.3: A 105 HIS : no HD1:sc= -4.44! C(o=-7.2!,f=-18!) USER MOD Set 1.4: A 106 CYS SG : rot 173:sc= -1.66! USER MOD Set 2.1: A 57 LYS NZ :NH3+ -141:sc= -0.353 (180deg=-1.74!) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 133:sc= -0.587 (180deg=-2.71!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.682 USER MOD Single : A 26 ASN : amide:sc= -4.51! C(o=-4.5!,f=-4.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -179:sc= -0.924 (180deg=-0.943) USER MOD Single : A 42 GLN : amide:sc= -0.0821 K(o=-0.082,f=-0.66) USER MOD Single : A 44 GLN : amide:sc= -0.237 K(o=-0.24,f=-4!) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= -0.672 (180deg=-1.16!) USER MOD Single : A 50 ASN : amide:sc= -3.91! C(o=-3.9!,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 45:sc= 0.255 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -64:sc= 0.0751 USER MOD Single : A 70 SER OG : rot -75:sc= -0.0211 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -101:sc= -4.49! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0.112 USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= -0.221 (180deg=-1.13) USER MOD Single : A 90 ASN : amide:sc= -5.85! C(o=-5.8!,f=-12!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00698 X(o=-0.007,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 149:sc= -0.248 (180deg=-1.32!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -159:sc= -0.22 (180deg=-1.23!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.014) USER MOD Single : A 124 LYS NZ :NH3+ -158:sc= -0.0674 (180deg=-0.923) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 -8.023 11.295 -21.679 1.00 0.00 N ATOM 375 CA ASP A 24 -6.608 11.292 -21.212 1.00 0.00 C ATOM 376 C ASP A 24 -6.365 12.516 -20.328 1.00 0.00 C ATOM 377 O ASP A 24 -7.240 12.963 -19.616 1.00 0.00 O ATOM 378 CB ASP A 24 -5.671 11.341 -22.421 1.00 0.00 C ATOM 379 CG ASP A 24 -4.439 10.476 -22.148 1.00 0.00 C ATOM 380 OD1 ASP A 24 -3.914 10.558 -21.050 1.00 0.00 O ATOM 381 OD2 ASP A 24 -4.041 9.749 -23.043 1.00 0.00 O ATOM 0 HA ASP A 24 -6.414 10.384 -20.641 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.189 10.984 -23.311 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.370 12.370 -22.619 1.00 0.00 H new ATOM 386 N SER A 25 -5.180 13.062 -20.368 1.00 0.00 N ATOM 387 CA SER A 25 -4.883 14.257 -19.531 1.00 0.00 C ATOM 388 C SER A 25 -4.798 13.844 -18.059 1.00 0.00 C ATOM 389 O SER A 25 -4.428 14.626 -17.206 1.00 0.00 O ATOM 390 CB SER A 25 -5.996 15.290 -19.706 1.00 0.00 C ATOM 391 OG SER A 25 -6.589 15.129 -20.987 1.00 0.00 O ATOM 0 H SER A 25 -4.406 12.732 -20.944 1.00 0.00 H new ATOM 0 HA SER A 25 -3.932 14.689 -19.841 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.748 15.167 -18.926 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.592 16.297 -19.603 1.00 0.00 H new ATOM 0 HG SER A 25 -7.304 15.789 -21.102 1.00 0.00 H new ATOM 397 N ASN A 26 -5.138 12.622 -17.754 1.00 0.00 N ATOM 398 CA ASN A 26 -5.076 12.166 -16.336 1.00 0.00 C ATOM 399 C ASN A 26 -5.563 10.717 -16.239 1.00 0.00 C ATOM 400 O ASN A 26 -6.108 10.303 -15.235 1.00 0.00 O ATOM 401 CB ASN A 26 -5.970 13.061 -15.474 1.00 0.00 C ATOM 402 CG ASN A 26 -6.936 13.835 -16.374 1.00 0.00 C ATOM 403 OD1 ASN A 26 -6.835 15.039 -16.499 1.00 0.00 O ATOM 404 ND2 ASN A 26 -7.876 13.190 -17.008 1.00 0.00 N ATOM 0 H ASN A 26 -5.455 11.921 -18.423 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.047 12.226 -15.982 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.528 12.456 -14.759 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.359 13.755 -14.896 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.526 13.697 -17.609 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.961 12.179 -16.903 1.00 0.00 H new ATOM 411 N VAL A 27 -5.371 9.943 -17.272 1.00 0.00 N ATOM 412 CA VAL A 27 -5.824 8.523 -17.230 1.00 0.00 C ATOM 413 C VAL A 27 -4.898 7.662 -18.091 1.00 0.00 C ATOM 414 O VAL A 27 -5.076 7.545 -19.287 1.00 0.00 O ATOM 415 CB VAL A 27 -7.253 8.429 -17.769 1.00 0.00 C ATOM 416 CG1 VAL A 27 -7.932 7.182 -17.199 1.00 0.00 C ATOM 417 CG2 VAL A 27 -8.038 9.673 -17.348 1.00 0.00 C ATOM 0 H VAL A 27 -4.921 10.231 -18.141 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.797 8.165 -16.201 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.228 8.364 -18.857 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.950 7.115 -17.583 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.373 6.295 -17.496 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.958 7.247 -16.111 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.056 9.608 -17.731 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.063 9.737 -16.260 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.555 10.562 -17.752 1.00 0.00 H new ATOM 427 N GLY A 28 -3.911 7.054 -17.491 1.00 0.00 N ATOM 428 CA GLY A 28 -2.976 6.198 -18.276 1.00 0.00 C ATOM 429 C GLY A 28 -3.599 4.815 -18.474 1.00 0.00 C ATOM 430 O GLY A 28 -3.995 4.162 -17.531 1.00 0.00 O ATOM 0 H GLY A 28 -3.712 7.113 -16.492 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.769 6.658 -19.242 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.023 6.109 -17.755 1.00 0.00 H new ATOM 434 N THR A 29 -3.691 4.364 -19.696 1.00 0.00 N ATOM 435 CA THR A 29 -4.291 3.025 -19.953 1.00 0.00 C ATOM 436 C THR A 29 -3.211 2.069 -20.465 1.00 0.00 C ATOM 437 O THR A 29 -2.313 2.459 -21.182 1.00 0.00 O ATOM 438 CB THR A 29 -5.397 3.154 -21.003 1.00 0.00 C ATOM 439 OG1 THR A 29 -6.016 4.427 -20.880 1.00 0.00 O ATOM 440 CG2 THR A 29 -6.439 2.055 -20.788 1.00 0.00 C ATOM 0 H THR A 29 -3.376 4.865 -20.527 1.00 0.00 H new ATOM 0 HA THR A 29 -4.712 2.634 -19.027 1.00 0.00 H new ATOM 0 HB THR A 29 -4.967 3.052 -21.999 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.724 4.513 -21.552 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.226 2.148 -21.536 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.963 1.079 -20.882 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.872 2.154 -19.792 1.00 0.00 H new ATOM 448 N GLY A 30 -3.295 0.817 -20.102 1.00 0.00 N ATOM 449 CA GLY A 30 -2.275 -0.163 -20.569 1.00 0.00 C ATOM 450 C GLY A 30 -2.905 -1.555 -20.661 1.00 0.00 C ATOM 451 O GLY A 30 -3.494 -2.044 -19.718 1.00 0.00 O ATOM 0 H GLY A 30 -4.025 0.432 -19.503 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.887 0.137 -21.542 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.430 -0.180 -19.881 1.00 0.00 H new ATOM 455 N MET A 31 -2.782 -2.196 -21.791 1.00 0.00 N ATOM 456 CA MET A 31 -3.371 -3.556 -21.947 1.00 0.00 C ATOM 457 C MET A 31 -2.341 -4.481 -22.598 1.00 0.00 C ATOM 458 O MET A 31 -2.170 -4.486 -23.801 1.00 0.00 O ATOM 459 CB MET A 31 -4.616 -3.473 -22.832 1.00 0.00 C ATOM 460 CG MET A 31 -5.335 -4.823 -22.836 1.00 0.00 C ATOM 461 SD MET A 31 -7.071 -4.582 -23.290 1.00 0.00 S ATOM 462 CE MET A 31 -7.469 -6.320 -23.605 1.00 0.00 C ATOM 0 H MET A 31 -2.298 -1.836 -22.614 1.00 0.00 H new ATOM 0 HA MET A 31 -3.648 -3.950 -20.969 1.00 0.00 H new ATOM 0 HB2 MET A 31 -5.285 -2.695 -22.464 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.334 -3.197 -23.848 1.00 0.00 H new ATOM 0 HG2 MET A 31 -4.854 -5.501 -23.542 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.267 -5.286 -21.852 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.513 -6.405 -23.905 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.830 -6.701 -24.402 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.304 -6.901 -22.698 1.00 0.00 H new ATOM 472 N VAL A 32 -1.651 -5.263 -21.812 1.00 0.00 N ATOM 473 CA VAL A 32 -0.630 -6.183 -22.387 1.00 0.00 C ATOM 474 C VAL A 32 -1.140 -7.624 -22.322 1.00 0.00 C ATOM 475 O VAL A 32 -2.148 -7.909 -21.705 1.00 0.00 O ATOM 476 CB VAL A 32 0.669 -6.067 -21.587 1.00 0.00 C ATOM 477 CG1 VAL A 32 1.237 -4.655 -21.735 1.00 0.00 C ATOM 478 CG2 VAL A 32 0.383 -6.350 -20.111 1.00 0.00 C ATOM 0 H VAL A 32 -1.751 -5.304 -20.798 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.445 -5.912 -23.426 1.00 0.00 H new ATOM 0 HB VAL A 32 1.393 -6.789 -21.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.162 -4.573 -21.165 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.440 -4.453 -22.787 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.514 -3.931 -21.359 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.307 -6.268 -19.539 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.341 -5.627 -19.736 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.021 -7.357 -20.005 1.00 0.00 H new ATOM 488 N GLY A 33 -0.449 -8.535 -22.951 1.00 0.00 N ATOM 489 CA GLY A 33 -0.890 -9.958 -22.925 1.00 0.00 C ATOM 490 C GLY A 33 0.335 -10.865 -22.815 1.00 0.00 C ATOM 491 O GLY A 33 1.443 -10.465 -23.114 1.00 0.00 O ATOM 0 H GLY A 33 0.403 -8.355 -23.482 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.559 -10.128 -22.082 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.451 -10.193 -23.829 1.00 0.00 H new ATOM 495 N ALA A 34 0.150 -12.084 -22.387 1.00 0.00 N ATOM 496 CA ALA A 34 1.310 -13.010 -22.258 1.00 0.00 C ATOM 497 C ALA A 34 0.998 -14.328 -22.971 1.00 0.00 C ATOM 498 O ALA A 34 0.419 -15.229 -22.396 1.00 0.00 O ATOM 499 CB ALA A 34 1.578 -13.284 -20.776 1.00 0.00 C ATOM 0 H ALA A 34 -0.753 -12.478 -22.122 1.00 0.00 H new ATOM 0 HA ALA A 34 2.190 -12.554 -22.711 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.426 -13.961 -20.679 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.802 -12.346 -20.267 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.696 -13.740 -20.325 1.00 0.00 H new ATOM 505 N PRO A 35 1.379 -14.438 -24.215 1.00 0.00 N ATOM 506 CA PRO A 35 1.138 -15.666 -25.025 1.00 0.00 C ATOM 507 C PRO A 35 1.563 -16.937 -24.283 1.00 0.00 C ATOM 508 O PRO A 35 1.190 -18.034 -24.646 1.00 0.00 O ATOM 509 CB PRO A 35 1.999 -15.462 -26.272 1.00 0.00 C ATOM 510 CG PRO A 35 2.170 -13.984 -26.401 1.00 0.00 C ATOM 511 CD PRO A 35 2.082 -13.402 -24.989 1.00 0.00 C ATOM 0 HA PRO A 35 0.080 -15.801 -25.249 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.963 -15.961 -26.170 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.516 -15.880 -27.155 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.130 -13.745 -26.858 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.397 -13.560 -27.042 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.072 -13.201 -24.579 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.536 -12.459 -24.980 1.00 0.00 H new ATOM 519 N ALA A 36 2.343 -16.796 -23.246 1.00 0.00 N ATOM 520 CA ALA A 36 2.791 -17.992 -22.482 1.00 0.00 C ATOM 521 C ALA A 36 1.620 -18.542 -21.663 1.00 0.00 C ATOM 522 O ALA A 36 1.243 -19.689 -21.793 1.00 0.00 O ATOM 523 CB ALA A 36 3.933 -17.599 -21.540 1.00 0.00 C ATOM 0 H ALA A 36 2.689 -15.903 -22.896 1.00 0.00 H new ATOM 0 HA ALA A 36 3.140 -18.756 -23.176 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.261 -18.475 -20.981 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.767 -17.207 -22.123 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.585 -16.834 -20.846 1.00 0.00 H new ATOM 529 N CYS A 37 1.044 -17.730 -20.819 1.00 0.00 N ATOM 530 CA CYS A 37 -0.101 -18.204 -19.994 1.00 0.00 C ATOM 531 C CYS A 37 -1.412 -17.706 -20.608 1.00 0.00 C ATOM 532 O CYS A 37 -2.434 -17.653 -19.954 1.00 0.00 O ATOM 533 CB CYS A 37 0.035 -17.657 -18.571 1.00 0.00 C ATOM 534 SG CYS A 37 0.472 -15.902 -18.638 1.00 0.00 S ATOM 0 H CYS A 37 1.317 -16.759 -20.666 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.103 -19.294 -19.966 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.901 -17.789 -18.028 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.800 -18.213 -18.028 1.00 0.00 H new ATOM 0 HG CYS A 37 0.774 -15.484 -17.445 1.00 0.00 H new ATOM 539 N GLY A 38 -1.388 -17.338 -21.860 1.00 0.00 N ATOM 540 CA GLY A 38 -2.633 -16.843 -22.514 1.00 0.00 C ATOM 541 C GLY A 38 -3.449 -16.034 -21.506 1.00 0.00 C ATOM 542 O GLY A 38 -4.589 -16.347 -21.222 1.00 0.00 O ATOM 0 H GLY A 38 -0.562 -17.359 -22.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.383 -16.224 -23.376 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.221 -17.683 -22.884 1.00 0.00 H new ATOM 546 N ASP A 39 -2.876 -14.996 -20.961 1.00 0.00 N ATOM 547 CA ASP A 39 -3.621 -14.169 -19.971 1.00 0.00 C ATOM 548 C ASP A 39 -3.547 -12.695 -20.378 1.00 0.00 C ATOM 549 O ASP A 39 -2.485 -12.166 -20.641 1.00 0.00 O ATOM 550 CB ASP A 39 -2.996 -14.345 -18.586 1.00 0.00 C ATOM 551 CG ASP A 39 -3.676 -13.399 -17.595 1.00 0.00 C ATOM 552 OD1 ASP A 39 -4.448 -12.564 -18.036 1.00 0.00 O ATOM 553 OD2 ASP A 39 -3.412 -13.526 -16.410 1.00 0.00 O ATOM 0 H ASP A 39 -1.925 -14.685 -21.159 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.663 -14.488 -19.944 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.107 -15.377 -18.254 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.927 -14.137 -18.629 1.00 0.00 H new ATOM 558 N VAL A 40 -4.667 -12.028 -20.427 1.00 0.00 N ATOM 559 CA VAL A 40 -4.661 -10.590 -20.813 1.00 0.00 C ATOM 560 C VAL A 40 -4.707 -9.729 -19.548 1.00 0.00 C ATOM 561 O VAL A 40 -5.608 -9.843 -18.741 1.00 0.00 O ATOM 562 CB VAL A 40 -5.882 -10.288 -21.685 1.00 0.00 C ATOM 563 CG1 VAL A 40 -5.566 -10.632 -23.141 1.00 0.00 C ATOM 564 CG2 VAL A 40 -7.068 -11.130 -21.210 1.00 0.00 C ATOM 0 H VAL A 40 -5.586 -12.417 -20.216 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.755 -10.365 -21.375 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.131 -9.230 -21.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.435 -10.417 -23.763 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.720 -10.034 -23.481 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.317 -11.690 -23.219 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.938 -10.916 -21.830 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.818 -12.188 -21.289 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.294 -10.887 -20.172 1.00 0.00 H new ATOM 574 N MET A 41 -3.740 -8.872 -19.366 1.00 0.00 N ATOM 575 CA MET A 41 -3.728 -8.011 -18.150 1.00 0.00 C ATOM 576 C MET A 41 -4.054 -6.567 -18.537 1.00 0.00 C ATOM 577 O MET A 41 -3.314 -5.924 -19.255 1.00 0.00 O ATOM 578 CB MET A 41 -2.341 -8.064 -17.505 1.00 0.00 C ATOM 579 CG MET A 41 -2.257 -7.025 -16.385 1.00 0.00 C ATOM 580 SD MET A 41 -1.073 -7.580 -15.135 1.00 0.00 S ATOM 581 CE MET A 41 -1.077 -6.071 -14.134 1.00 0.00 C ATOM 0 H MET A 41 -2.959 -8.731 -20.006 1.00 0.00 H new ATOM 0 HA MET A 41 -4.475 -8.372 -17.444 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.152 -9.060 -17.106 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.573 -7.870 -18.254 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.949 -6.061 -16.791 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.239 -6.881 -15.933 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.386 -6.187 -13.299 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.766 -5.226 -14.748 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.082 -5.891 -13.752 1.00 0.00 H new ATOM 591 N GLN A 42 -5.156 -6.051 -18.064 1.00 0.00 N ATOM 592 CA GLN A 42 -5.529 -4.649 -18.402 1.00 0.00 C ATOM 593 C GLN A 42 -5.415 -3.777 -17.150 1.00 0.00 C ATOM 594 O GLN A 42 -6.152 -3.942 -16.199 1.00 0.00 O ATOM 595 CB GLN A 42 -6.969 -4.613 -18.919 1.00 0.00 C ATOM 596 CG GLN A 42 -7.429 -3.159 -19.044 1.00 0.00 C ATOM 597 CD GLN A 42 -8.565 -3.070 -20.065 1.00 0.00 C ATOM 598 OE1 GLN A 42 -8.354 -2.669 -21.193 1.00 0.00 O ATOM 599 NE2 GLN A 42 -9.770 -3.428 -19.715 1.00 0.00 N ATOM 0 H GLN A 42 -5.814 -6.541 -17.458 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.858 -4.270 -19.173 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.032 -5.110 -19.887 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.625 -5.156 -18.239 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.766 -2.788 -18.076 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.596 -2.528 -19.355 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.947 -3.765 -18.769 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.535 -3.371 -20.388 1.00 0.00 H new ATOM 608 N LEU A 43 -4.495 -2.852 -17.140 1.00 0.00 N ATOM 609 CA LEU A 43 -4.334 -1.972 -15.949 1.00 0.00 C ATOM 610 C LEU A 43 -4.933 -0.596 -16.244 1.00 0.00 C ATOM 611 O LEU A 43 -5.008 -0.172 -17.380 1.00 0.00 O ATOM 612 CB LEU A 43 -2.847 -1.821 -15.625 1.00 0.00 C ATOM 613 CG LEU A 43 -2.686 -1.160 -14.255 1.00 0.00 C ATOM 614 CD1 LEU A 43 -2.789 -2.223 -13.160 1.00 0.00 C ATOM 615 CD2 LEU A 43 -1.317 -0.480 -14.176 1.00 0.00 C ATOM 0 H LEU A 43 -3.847 -2.668 -17.906 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.849 -2.417 -15.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.363 -2.797 -15.628 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.357 -1.219 -16.390 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.471 -0.417 -14.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.674 -1.752 -12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.763 -2.710 -13.216 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.004 -2.966 -13.299 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.201 -0.008 -13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.533 -1.224 -14.315 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.241 0.277 -14.956 1.00 0.00 H new ATOM 627 N GLN A 44 -5.361 0.107 -15.230 1.00 0.00 N ATOM 628 CA GLN A 44 -5.953 1.456 -15.456 1.00 0.00 C ATOM 629 C GLN A 44 -5.565 2.386 -14.305 1.00 0.00 C ATOM 630 O GLN A 44 -6.007 2.221 -13.185 1.00 0.00 O ATOM 631 CB GLN A 44 -7.477 1.340 -15.526 1.00 0.00 C ATOM 632 CG GLN A 44 -7.935 1.499 -16.977 1.00 0.00 C ATOM 633 CD GLN A 44 -7.959 2.984 -17.346 1.00 0.00 C ATOM 634 OE1 GLN A 44 -6.931 3.629 -17.382 1.00 0.00 O ATOM 635 NE2 GLN A 44 -9.099 3.556 -17.623 1.00 0.00 N ATOM 0 H GLN A 44 -5.326 -0.195 -14.256 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.576 1.864 -16.394 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.797 0.374 -15.136 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.940 2.104 -14.902 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.262 0.959 -17.643 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.927 1.065 -17.106 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.962 3.014 -17.593 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.127 4.545 -17.870 1.00 0.00 H new ATOM 644 N ILE A 45 -4.744 3.365 -14.572 1.00 0.00 N ATOM 645 CA ILE A 45 -4.330 4.306 -13.493 1.00 0.00 C ATOM 646 C ILE A 45 -5.130 5.606 -13.620 1.00 0.00 C ATOM 647 O ILE A 45 -5.475 6.029 -14.705 1.00 0.00 O ATOM 648 CB ILE A 45 -2.836 4.608 -13.626 1.00 0.00 C ATOM 649 CG1 ILE A 45 -2.092 3.329 -14.021 1.00 0.00 C ATOM 650 CG2 ILE A 45 -2.297 5.119 -12.289 1.00 0.00 C ATOM 651 CD1 ILE A 45 -0.628 3.437 -13.591 1.00 0.00 C ATOM 0 H ILE A 45 -4.342 3.554 -15.490 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.522 3.854 -12.520 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.685 5.369 -14.392 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.558 2.464 -13.549 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.155 3.177 -15.098 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.233 5.334 -12.384 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.827 6.029 -12.007 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.447 4.359 -11.522 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.098 2.527 -13.872 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.166 4.293 -14.084 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.575 3.569 -12.510 1.00 0.00 H new ATOM 663 N LYS A 46 -5.432 6.240 -12.520 1.00 0.00 N ATOM 664 CA LYS A 46 -6.212 7.509 -12.582 1.00 0.00 C ATOM 665 C LYS A 46 -5.523 8.577 -11.729 1.00 0.00 C ATOM 666 O LYS A 46 -5.302 8.393 -10.550 1.00 0.00 O ATOM 667 CB LYS A 46 -7.624 7.262 -12.045 1.00 0.00 C ATOM 668 CG LYS A 46 -8.612 8.184 -12.764 1.00 0.00 C ATOM 669 CD LYS A 46 -9.984 8.080 -12.095 1.00 0.00 C ATOM 670 CE LYS A 46 -11.029 8.792 -12.957 1.00 0.00 C ATOM 671 NZ LYS A 46 -10.353 9.796 -13.828 1.00 0.00 N ATOM 0 H LYS A 46 -5.173 5.935 -11.582 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.267 7.852 -13.615 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.905 6.220 -12.197 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.654 7.446 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.256 9.214 -12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.686 7.907 -13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.258 7.033 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.951 8.528 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.567 8.067 -13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.767 9.283 -12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.069 10.395 -14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.724 10.389 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.794 9.305 -14.555 1.00 0.00 H new ATOM 685 N VAL A 47 -5.183 9.691 -12.317 1.00 0.00 N ATOM 686 CA VAL A 47 -4.508 10.769 -11.539 1.00 0.00 C ATOM 687 C VAL A 47 -5.459 11.958 -11.376 1.00 0.00 C ATOM 688 O VAL A 47 -6.189 12.309 -12.280 1.00 0.00 O ATOM 689 CB VAL A 47 -3.246 11.221 -12.281 1.00 0.00 C ATOM 690 CG1 VAL A 47 -2.019 10.986 -11.398 1.00 0.00 C ATOM 691 CG2 VAL A 47 -3.103 10.418 -13.576 1.00 0.00 C ATOM 0 H VAL A 47 -5.343 9.902 -13.302 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.234 10.388 -10.555 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.324 12.283 -12.516 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.122 11.308 -11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.120 11.557 -10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.939 9.925 -11.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.206 10.738 -14.105 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.026 9.357 -13.339 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.976 10.586 -14.207 1.00 0.00 H new ATOM 701 N ASP A 48 -5.452 12.580 -10.229 1.00 0.00 N ATOM 702 CA ASP A 48 -6.351 13.747 -10.005 1.00 0.00 C ATOM 703 C ASP A 48 -6.014 14.400 -8.664 1.00 0.00 C ATOM 704 O ASP A 48 -6.057 15.606 -8.522 1.00 0.00 O ATOM 705 CB ASP A 48 -7.806 13.279 -9.984 1.00 0.00 C ATOM 706 CG ASP A 48 -8.455 13.562 -11.340 1.00 0.00 C ATOM 707 OD1 ASP A 48 -8.323 14.678 -11.817 1.00 0.00 O ATOM 708 OD2 ASP A 48 -9.074 12.659 -11.878 1.00 0.00 O ATOM 0 H ASP A 48 -4.861 12.330 -9.436 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.212 14.468 -10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.853 12.213 -9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.353 13.793 -9.193 1.00 0.00 H new ATOM 713 N ASP A 49 -5.684 13.613 -7.677 1.00 0.00 N ATOM 714 CA ASP A 49 -5.348 14.191 -6.346 1.00 0.00 C ATOM 715 C ASP A 49 -4.108 15.078 -6.477 1.00 0.00 C ATOM 716 O ASP A 49 -3.195 15.011 -5.679 1.00 0.00 O ATOM 717 CB ASP A 49 -5.070 13.060 -5.351 1.00 0.00 C ATOM 718 CG ASP A 49 -6.319 12.808 -4.504 1.00 0.00 C ATOM 719 OD1 ASP A 49 -7.371 13.305 -4.871 1.00 0.00 O ATOM 720 OD2 ASP A 49 -6.202 12.122 -3.502 1.00 0.00 O ATOM 0 H ASP A 49 -5.633 12.596 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.185 14.789 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.790 12.152 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.229 13.324 -4.709 1.00 0.00 H new ATOM 725 N ASN A 50 -4.073 15.909 -7.480 1.00 0.00 N ATOM 726 CA ASN A 50 -2.897 16.805 -7.667 1.00 0.00 C ATOM 727 C ASN A 50 -1.745 16.015 -8.292 1.00 0.00 C ATOM 728 O ASN A 50 -0.633 16.029 -7.805 1.00 0.00 O ATOM 729 CB ASN A 50 -2.457 17.363 -6.312 1.00 0.00 C ATOM 730 CG ASN A 50 -3.682 17.538 -5.412 1.00 0.00 C ATOM 731 OD1 ASN A 50 -4.661 18.138 -5.808 1.00 0.00 O ATOM 732 ND2 ASN A 50 -3.668 17.034 -4.208 1.00 0.00 N ATOM 0 H ASN A 50 -4.809 16.007 -8.180 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.172 17.628 -8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.741 16.688 -5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.952 18.319 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.479 17.144 -3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.846 16.530 -3.876 1.00 0.00 H new ATOM 739 N GLY A 51 -2.003 15.327 -9.370 1.00 0.00 N ATOM 740 CA GLY A 51 -0.924 14.539 -10.030 1.00 0.00 C ATOM 741 C GLY A 51 -0.765 13.190 -9.327 1.00 0.00 C ATOM 742 O GLY A 51 -0.011 12.340 -9.760 1.00 0.00 O ATOM 0 H GLY A 51 -2.916 15.276 -9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.165 14.385 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.015 15.091 -9.995 1.00 0.00 H new ATOM 746 N ILE A 52 -1.466 12.985 -8.246 1.00 0.00 N ATOM 747 CA ILE A 52 -1.350 11.689 -7.520 1.00 0.00 C ATOM 748 C ILE A 52 -2.396 10.710 -8.058 1.00 0.00 C ATOM 749 O ILE A 52 -3.405 11.105 -8.607 1.00 0.00 O ATOM 750 CB ILE A 52 -1.585 11.916 -6.027 1.00 0.00 C ATOM 751 CG1 ILE A 52 -0.627 12.998 -5.522 1.00 0.00 C ATOM 752 CG2 ILE A 52 -1.332 10.614 -5.265 1.00 0.00 C ATOM 753 CD1 ILE A 52 0.748 12.381 -5.255 1.00 0.00 C ATOM 0 H ILE A 52 -2.113 13.658 -7.835 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.352 11.276 -7.671 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.615 12.235 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.542 13.796 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.019 13.448 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.500 10.777 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.013 9.843 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.303 10.293 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.429 13.152 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.656 11.599 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.140 11.952 -6.177 1.00 0.00 H new ATOM 765 N ILE A 53 -2.163 9.435 -7.905 1.00 0.00 N ATOM 766 CA ILE A 53 -3.144 8.435 -8.410 1.00 0.00 C ATOM 767 C ILE A 53 -4.376 8.423 -7.501 1.00 0.00 C ATOM 768 O ILE A 53 -4.408 7.747 -6.493 1.00 0.00 O ATOM 769 CB ILE A 53 -2.500 7.048 -8.418 1.00 0.00 C ATOM 770 CG1 ILE A 53 -1.366 7.022 -9.445 1.00 0.00 C ATOM 771 CG2 ILE A 53 -3.549 6.000 -8.791 1.00 0.00 C ATOM 772 CD1 ILE A 53 -0.531 5.756 -9.252 1.00 0.00 C ATOM 0 H ILE A 53 -1.337 9.044 -7.453 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.445 8.701 -9.423 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.102 6.825 -7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.775 7.050 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.738 7.905 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.090 5.011 -8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.359 6.020 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.948 6.221 -9.781 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.277 5.738 -9.984 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.110 5.748 -8.247 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.164 4.879 -9.388 1.00 0.00 H new ATOM 784 N GLU A 54 -5.389 9.167 -7.854 1.00 0.00 N ATOM 785 CA GLU A 54 -6.619 9.200 -7.012 1.00 0.00 C ATOM 786 C GLU A 54 -7.207 7.791 -6.911 1.00 0.00 C ATOM 787 O GLU A 54 -7.901 7.464 -5.968 1.00 0.00 O ATOM 788 CB GLU A 54 -7.648 10.134 -7.652 1.00 0.00 C ATOM 789 CG GLU A 54 -8.786 10.396 -6.665 1.00 0.00 C ATOM 790 CD GLU A 54 -9.866 11.243 -7.341 1.00 0.00 C ATOM 791 OE1 GLU A 54 -9.547 12.337 -7.775 1.00 0.00 O ATOM 792 OE2 GLU A 54 -10.993 10.781 -7.415 1.00 0.00 O ATOM 0 H GLU A 54 -5.418 9.753 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.367 9.561 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.175 11.074 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.041 9.688 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.210 9.452 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.405 10.911 -5.783 1.00 0.00 H new ATOM 799 N ASP A 55 -6.937 6.953 -7.875 1.00 0.00 N ATOM 800 CA ASP A 55 -7.484 5.568 -7.831 1.00 0.00 C ATOM 801 C ASP A 55 -6.816 4.717 -8.912 1.00 0.00 C ATOM 802 O ASP A 55 -6.134 5.222 -9.782 1.00 0.00 O ATOM 803 CB ASP A 55 -8.994 5.608 -8.074 1.00 0.00 C ATOM 804 CG ASP A 55 -9.731 5.275 -6.776 1.00 0.00 C ATOM 805 OD1 ASP A 55 -9.936 6.181 -5.985 1.00 0.00 O ATOM 806 OD2 ASP A 55 -10.077 4.119 -6.594 1.00 0.00 O ATOM 0 H ASP A 55 -6.362 7.168 -8.690 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.284 5.131 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.289 6.595 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.266 4.895 -8.852 1.00 0.00 H new ATOM 811 N ALA A 56 -7.008 3.427 -8.864 1.00 0.00 N ATOM 812 CA ALA A 56 -6.388 2.539 -9.887 1.00 0.00 C ATOM 813 C ALA A 56 -7.228 1.268 -10.027 1.00 0.00 C ATOM 814 O ALA A 56 -7.581 0.637 -9.051 1.00 0.00 O ATOM 815 CB ALA A 56 -4.970 2.169 -9.450 1.00 0.00 C ATOM 0 H ALA A 56 -7.569 2.949 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.347 3.057 -10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.516 1.519 -10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.373 3.075 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.008 1.648 -8.493 1.00 0.00 H new ATOM 821 N LYS A 57 -7.555 0.888 -11.232 1.00 0.00 N ATOM 822 CA LYS A 57 -8.374 -0.341 -11.426 1.00 0.00 C ATOM 823 C LYS A 57 -7.521 -1.432 -12.073 1.00 0.00 C ATOM 824 O LYS A 57 -6.472 -1.169 -12.626 1.00 0.00 O ATOM 825 CB LYS A 57 -9.564 -0.020 -12.333 1.00 0.00 C ATOM 826 CG LYS A 57 -10.485 0.980 -11.634 1.00 0.00 C ATOM 827 CD LYS A 57 -11.448 0.230 -10.710 1.00 0.00 C ATOM 828 CE LYS A 57 -12.026 1.200 -9.679 1.00 0.00 C ATOM 829 NZ LYS A 57 -10.913 1.890 -8.968 1.00 0.00 N ATOM 0 H LYS A 57 -7.291 1.375 -12.089 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.735 -0.692 -10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.213 0.393 -13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.112 -0.932 -12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.895 1.694 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.045 1.552 -12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.252 -0.219 -11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.926 -0.584 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.666 1.932 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.649 0.661 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.154 1.991 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.042 1.330 -9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.766 2.831 -9.385 1.00 0.00 H new ATOM 843 N PHE A 58 -7.965 -2.657 -12.007 1.00 0.00 N ATOM 844 CA PHE A 58 -7.184 -3.767 -12.618 1.00 0.00 C ATOM 845 C PHE A 58 -8.145 -4.774 -13.254 1.00 0.00 C ATOM 846 O PHE A 58 -9.336 -4.744 -13.017 1.00 0.00 O ATOM 847 CB PHE A 58 -6.358 -4.466 -11.536 1.00 0.00 C ATOM 848 CG PHE A 58 -7.258 -4.843 -10.383 1.00 0.00 C ATOM 849 CD1 PHE A 58 -7.647 -3.873 -9.452 1.00 0.00 C ATOM 850 CD2 PHE A 58 -7.704 -6.163 -10.246 1.00 0.00 C ATOM 851 CE1 PHE A 58 -8.482 -4.222 -8.384 1.00 0.00 C ATOM 852 CE2 PHE A 58 -8.539 -6.513 -9.178 1.00 0.00 C ATOM 853 CZ PHE A 58 -8.927 -5.543 -8.247 1.00 0.00 C ATOM 0 H PHE A 58 -8.836 -2.937 -11.556 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.518 -3.366 -13.381 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.881 -5.356 -11.946 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.561 -3.808 -11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.303 -2.855 -9.558 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.404 -6.912 -10.964 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.783 -3.473 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.883 -7.531 -9.073 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.570 -5.813 -7.422 1.00 0.00 H new ATOM 863 N LYS A 59 -7.639 -5.665 -14.061 1.00 0.00 N ATOM 864 CA LYS A 59 -8.527 -6.670 -14.710 1.00 0.00 C ATOM 865 C LYS A 59 -7.671 -7.711 -15.436 1.00 0.00 C ATOM 866 O LYS A 59 -7.173 -7.473 -16.518 1.00 0.00 O ATOM 867 CB LYS A 59 -9.440 -5.968 -15.718 1.00 0.00 C ATOM 868 CG LYS A 59 -10.852 -6.547 -15.617 1.00 0.00 C ATOM 869 CD LYS A 59 -10.860 -7.973 -16.172 1.00 0.00 C ATOM 870 CE LYS A 59 -12.304 -8.465 -16.303 1.00 0.00 C ATOM 871 NZ LYS A 59 -12.493 -9.678 -15.460 1.00 0.00 N ATOM 0 H LYS A 59 -6.650 -5.741 -14.299 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.135 -7.163 -13.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.460 -4.896 -15.521 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.053 -6.100 -16.728 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.183 -6.548 -14.578 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.552 -5.925 -16.174 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.367 -7.999 -17.144 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.298 -8.634 -15.512 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.996 -7.682 -15.993 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.528 -8.694 -17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.474 -10.013 -15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.842 -10.425 -15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.295 -9.444 -14.466 1.00 0.00 H new ATOM 885 N THR A 60 -7.495 -8.863 -14.848 1.00 0.00 N ATOM 886 CA THR A 60 -6.671 -9.915 -15.507 1.00 0.00 C ATOM 887 C THR A 60 -7.112 -11.295 -15.016 1.00 0.00 C ATOM 888 O THR A 60 -7.457 -11.475 -13.865 1.00 0.00 O ATOM 889 CB THR A 60 -5.195 -9.697 -15.161 1.00 0.00 C ATOM 890 OG1 THR A 60 -4.390 -10.518 -15.996 1.00 0.00 O ATOM 891 CG2 THR A 60 -4.952 -10.061 -13.696 1.00 0.00 C ATOM 0 H THR A 60 -7.885 -9.120 -13.942 1.00 0.00 H new ATOM 0 HA THR A 60 -6.805 -9.856 -16.587 1.00 0.00 H new ATOM 0 HB THR A 60 -4.935 -8.650 -15.319 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.710 -10.457 -16.920 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.901 -9.905 -13.452 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.570 -9.431 -13.057 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.211 -11.107 -13.533 1.00 0.00 H new ATOM 899 N TYR A 61 -7.103 -12.273 -15.881 1.00 0.00 N ATOM 900 CA TYR A 61 -7.522 -13.641 -15.466 1.00 0.00 C ATOM 901 C TYR A 61 -7.006 -14.662 -16.482 1.00 0.00 C ATOM 902 O TYR A 61 -7.112 -14.469 -17.677 1.00 0.00 O ATOM 903 CB TYR A 61 -9.049 -13.711 -15.405 1.00 0.00 C ATOM 904 CG TYR A 61 -9.602 -13.889 -16.799 1.00 0.00 C ATOM 905 CD1 TYR A 61 -9.287 -12.963 -17.801 1.00 0.00 C ATOM 906 CD2 TYR A 61 -10.430 -14.980 -17.090 1.00 0.00 C ATOM 907 CE1 TYR A 61 -9.801 -13.128 -19.094 1.00 0.00 C ATOM 908 CE2 TYR A 61 -10.944 -15.144 -18.382 1.00 0.00 C ATOM 909 CZ TYR A 61 -10.629 -14.219 -19.383 1.00 0.00 C ATOM 910 OH TYR A 61 -11.136 -14.381 -20.657 1.00 0.00 O ATOM 0 H TYR A 61 -6.823 -12.183 -16.858 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.108 -13.865 -14.483 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.360 -14.541 -14.770 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.448 -12.800 -14.958 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.648 -12.122 -17.577 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.672 -15.695 -16.318 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.559 -12.414 -19.867 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -11.584 -15.985 -18.606 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.690 -15.188 -20.688 1.00 0.00 H new ATOM 920 N GLY A 62 -6.448 -15.747 -16.018 1.00 0.00 N ATOM 921 CA GLY A 62 -5.930 -16.777 -16.961 1.00 0.00 C ATOM 922 C GLY A 62 -4.844 -17.606 -16.273 1.00 0.00 C ATOM 923 O GLY A 62 -4.900 -18.819 -16.245 1.00 0.00 O ATOM 0 H GLY A 62 -6.329 -15.964 -15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.743 -17.425 -17.289 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.525 -16.297 -17.852 1.00 0.00 H new ATOM 927 N CYS A 63 -3.854 -16.962 -15.717 1.00 0.00 N ATOM 928 CA CYS A 63 -2.765 -17.716 -15.033 1.00 0.00 C ATOM 929 C CYS A 63 -3.246 -18.174 -13.655 1.00 0.00 C ATOM 930 O CYS A 63 -4.275 -17.745 -13.171 1.00 0.00 O ATOM 931 CB CYS A 63 -1.541 -16.812 -14.872 1.00 0.00 C ATOM 932 SG CYS A 63 -0.054 -17.717 -15.370 1.00 0.00 S ATOM 0 H CYS A 63 -3.752 -15.947 -15.707 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.497 -18.587 -15.631 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.655 -15.915 -15.481 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.451 -16.485 -13.836 1.00 0.00 H new ATOM 0 HG CYS A 63 0.939 -16.887 -15.492 1.00 0.00 H new ATOM 937 N GLY A 64 -2.509 -19.043 -13.018 1.00 0.00 N ATOM 938 CA GLY A 64 -2.925 -19.529 -11.672 1.00 0.00 C ATOM 939 C GLY A 64 -2.114 -18.808 -10.594 1.00 0.00 C ATOM 940 O GLY A 64 -1.720 -19.393 -9.604 1.00 0.00 O ATOM 0 H GLY A 64 -1.637 -19.437 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.990 -19.349 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.770 -20.605 -11.599 1.00 0.00 H new ATOM 944 N SER A 65 -1.862 -17.541 -10.776 1.00 0.00 N ATOM 945 CA SER A 65 -1.077 -16.783 -9.761 1.00 0.00 C ATOM 946 C SER A 65 -1.213 -15.283 -10.030 1.00 0.00 C ATOM 947 O SER A 65 -1.462 -14.502 -9.134 1.00 0.00 O ATOM 948 CB SER A 65 0.395 -17.187 -9.850 1.00 0.00 C ATOM 949 OG SER A 65 1.029 -16.926 -8.604 1.00 0.00 O ATOM 0 H SER A 65 -2.166 -16.998 -11.584 1.00 0.00 H new ATOM 0 HA SER A 65 -1.455 -17.009 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.479 -18.245 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.889 -16.631 -10.646 1.00 0.00 H new ATOM 0 HG SER A 65 1.973 -17.185 -8.656 1.00 0.00 H new ATOM 955 N ALA A 66 -1.052 -14.876 -11.259 1.00 0.00 N ATOM 956 CA ALA A 66 -1.172 -13.427 -11.587 1.00 0.00 C ATOM 957 C ALA A 66 -2.450 -12.866 -10.959 1.00 0.00 C ATOM 958 O ALA A 66 -2.482 -11.746 -10.490 1.00 0.00 O ATOM 959 CB ALA A 66 -1.231 -13.253 -13.105 1.00 0.00 C ATOM 0 H ALA A 66 -0.842 -15.484 -12.051 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.308 -12.892 -11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.319 -12.194 -13.347 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.321 -13.653 -13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.095 -13.788 -13.499 1.00 0.00 H new ATOM 965 N ILE A 67 -3.505 -13.635 -10.950 1.00 0.00 N ATOM 966 CA ILE A 67 -4.779 -13.143 -10.354 1.00 0.00 C ATOM 967 C ILE A 67 -4.498 -12.516 -8.987 1.00 0.00 C ATOM 968 O ILE A 67 -5.284 -11.746 -8.474 1.00 0.00 O ATOM 969 CB ILE A 67 -5.752 -14.315 -10.193 1.00 0.00 C ATOM 970 CG1 ILE A 67 -5.940 -15.006 -11.545 1.00 0.00 C ATOM 971 CG2 ILE A 67 -7.101 -13.792 -9.697 1.00 0.00 C ATOM 972 CD1 ILE A 67 -6.278 -16.482 -11.323 1.00 0.00 C ATOM 0 H ILE A 67 -3.539 -14.581 -11.329 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.221 -12.392 -11.009 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.351 -15.027 -9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.738 -14.520 -12.106 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.032 -14.916 -12.141 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.794 -14.625 -9.582 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.968 -13.296 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.504 -13.082 -10.419 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.412 -16.974 -12.287 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.465 -16.964 -10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.198 -16.561 -10.744 1.00 0.00 H new ATOM 984 N ALA A 68 -3.381 -12.838 -8.393 1.00 0.00 N ATOM 985 CA ALA A 68 -3.051 -12.256 -7.062 1.00 0.00 C ATOM 986 C ALA A 68 -2.150 -11.033 -7.251 1.00 0.00 C ATOM 987 O ALA A 68 -2.302 -10.028 -6.584 1.00 0.00 O ATOM 988 CB ALA A 68 -2.322 -13.300 -6.214 1.00 0.00 C ATOM 0 H ALA A 68 -2.684 -13.479 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.970 -11.957 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.081 -12.874 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.963 -14.172 -6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.402 -13.600 -6.717 1.00 0.00 H new ATOM 994 N SER A 69 -1.216 -11.110 -8.159 1.00 0.00 N ATOM 995 CA SER A 69 -0.308 -9.952 -8.393 1.00 0.00 C ATOM 996 C SER A 69 -1.143 -8.686 -8.590 1.00 0.00 C ATOM 997 O SER A 69 -0.788 -7.618 -8.132 1.00 0.00 O ATOM 998 CB SER A 69 0.534 -10.209 -9.643 1.00 0.00 C ATOM 999 OG SER A 69 -0.167 -9.735 -10.786 1.00 0.00 O ATOM 0 H SER A 69 -1.043 -11.924 -8.748 1.00 0.00 H new ATOM 0 HA SER A 69 0.350 -9.824 -7.534 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.497 -9.705 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.740 -11.275 -9.744 1.00 0.00 H new ATOM 0 HG SER A 69 -0.989 -10.255 -10.904 1.00 0.00 H new ATOM 1005 N SER A 70 -2.251 -8.796 -9.270 1.00 0.00 N ATOM 1006 CA SER A 70 -3.110 -7.599 -9.497 1.00 0.00 C ATOM 1007 C SER A 70 -3.537 -7.016 -8.148 1.00 0.00 C ATOM 1008 O SER A 70 -3.599 -5.817 -7.971 1.00 0.00 O ATOM 1009 CB SER A 70 -4.350 -8.004 -10.294 1.00 0.00 C ATOM 1010 OG SER A 70 -5.169 -8.848 -9.494 1.00 0.00 O ATOM 0 H SER A 70 -2.599 -9.663 -9.679 1.00 0.00 H new ATOM 0 HA SER A 70 -2.549 -6.850 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.908 -7.117 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.056 -8.522 -11.207 1.00 0.00 H new ATOM 0 HG SER A 70 -4.767 -9.740 -9.442 1.00 0.00 H new ATOM 1016 N SER A 71 -3.833 -7.858 -7.196 1.00 0.00 N ATOM 1017 CA SER A 71 -4.256 -7.351 -5.860 1.00 0.00 C ATOM 1018 C SER A 71 -3.106 -6.569 -5.221 1.00 0.00 C ATOM 1019 O SER A 71 -3.305 -5.526 -4.631 1.00 0.00 O ATOM 1020 CB SER A 71 -4.627 -8.532 -4.964 1.00 0.00 C ATOM 1021 OG SER A 71 -6.041 -8.671 -4.932 1.00 0.00 O ATOM 0 H SER A 71 -3.800 -8.874 -7.285 1.00 0.00 H new ATOM 0 HA SER A 71 -5.119 -6.695 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.169 -9.447 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.243 -8.374 -3.956 1.00 0.00 H new ATOM 0 HG SER A 71 -6.282 -9.429 -4.359 1.00 0.00 H new ATOM 1027 N LEU A 72 -1.905 -7.066 -5.334 1.00 0.00 N ATOM 1028 CA LEU A 72 -0.744 -6.351 -4.730 1.00 0.00 C ATOM 1029 C LEU A 72 -0.518 -5.022 -5.455 1.00 0.00 C ATOM 1030 O LEU A 72 -0.805 -3.963 -4.934 1.00 0.00 O ATOM 1031 CB LEU A 72 0.511 -7.218 -4.860 1.00 0.00 C ATOM 1032 CG LEU A 72 1.590 -6.702 -3.905 1.00 0.00 C ATOM 1033 CD1 LEU A 72 1.600 -7.556 -2.635 1.00 0.00 C ATOM 1034 CD2 LEU A 72 2.958 -6.791 -4.587 1.00 0.00 C ATOM 0 H LEU A 72 -1.677 -7.935 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.950 -6.157 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.274 -8.257 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.877 -7.194 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 72 1.378 -5.665 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.369 -7.188 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.626 -7.496 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.812 -8.593 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.728 -6.424 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.168 -7.829 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.953 -6.184 -5.492 1.00 0.00 H new ATOM 1046 N ILE A 73 0.000 -5.070 -6.651 1.00 0.00 N ATOM 1047 CA ILE A 73 0.252 -3.812 -7.409 1.00 0.00 C ATOM 1048 C ILE A 73 -0.943 -2.866 -7.262 1.00 0.00 C ATOM 1049 O ILE A 73 -0.802 -1.661 -7.327 1.00 0.00 O ATOM 1050 CB ILE A 73 0.458 -4.141 -8.889 1.00 0.00 C ATOM 1051 CG1 ILE A 73 0.460 -2.844 -9.701 1.00 0.00 C ATOM 1052 CG2 ILE A 73 -0.676 -5.045 -9.375 1.00 0.00 C ATOM 1053 CD1 ILE A 73 0.887 -3.142 -11.139 1.00 0.00 C ATOM 0 H ILE A 73 0.260 -5.928 -7.137 1.00 0.00 H new ATOM 0 HA ILE A 73 1.145 -3.329 -7.012 1.00 0.00 H new ATOM 0 HB ILE A 73 1.411 -4.655 -9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.533 -2.395 -9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.141 -2.122 -9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.528 -5.279 -10.429 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.679 -5.968 -8.796 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.630 -4.533 -9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.888 -2.218 -11.717 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.889 -3.572 -11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.189 -3.849 -11.587 1.00 0.00 H new ATOM 1065 N THR A 74 -2.119 -3.398 -7.071 1.00 0.00 N ATOM 1066 CA THR A 74 -3.315 -2.521 -6.927 1.00 0.00 C ATOM 1067 C THR A 74 -3.347 -1.915 -5.522 1.00 0.00 C ATOM 1068 O THR A 74 -3.653 -0.752 -5.346 1.00 0.00 O ATOM 1069 CB THR A 74 -4.584 -3.345 -7.158 1.00 0.00 C ATOM 1070 OG1 THR A 74 -4.513 -4.544 -6.397 1.00 0.00 O ATOM 1071 CG2 THR A 74 -4.707 -3.687 -8.644 1.00 0.00 C ATOM 0 H THR A 74 -2.303 -4.399 -7.009 1.00 0.00 H new ATOM 0 HA THR A 74 -3.263 -1.719 -7.663 1.00 0.00 H new ATOM 0 HB THR A 74 -5.455 -2.769 -6.847 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.256 -5.288 -6.981 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.611 -4.274 -8.809 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.761 -2.767 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.837 -4.264 -8.958 1.00 0.00 H new ATOM 1079 N GLU A 75 -3.036 -2.690 -4.521 1.00 0.00 N ATOM 1080 CA GLU A 75 -3.052 -2.152 -3.132 1.00 0.00 C ATOM 1081 C GLU A 75 -1.729 -1.442 -2.842 1.00 0.00 C ATOM 1082 O GLU A 75 -1.500 -0.957 -1.752 1.00 0.00 O ATOM 1083 CB GLU A 75 -3.239 -3.304 -2.141 1.00 0.00 C ATOM 1084 CG GLU A 75 -4.569 -4.006 -2.419 1.00 0.00 C ATOM 1085 CD GLU A 75 -5.702 -3.246 -1.727 1.00 0.00 C ATOM 1086 OE1 GLU A 75 -5.664 -2.027 -1.737 1.00 0.00 O ATOM 1087 OE2 GLU A 75 -6.589 -3.896 -1.199 1.00 0.00 O ATOM 0 H GLU A 75 -2.772 -3.672 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.874 -1.444 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.416 -4.013 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.222 -2.925 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.751 -4.052 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.532 -5.034 -2.058 1.00 0.00 H new ATOM 1094 N TRP A 76 -0.853 -1.376 -3.808 1.00 0.00 N ATOM 1095 CA TRP A 76 0.454 -0.697 -3.581 1.00 0.00 C ATOM 1096 C TRP A 76 0.508 0.604 -4.386 1.00 0.00 C ATOM 1097 O TRP A 76 1.154 1.557 -3.997 1.00 0.00 O ATOM 1098 CB TRP A 76 1.592 -1.619 -4.028 1.00 0.00 C ATOM 1099 CG TRP A 76 2.188 -2.292 -2.833 1.00 0.00 C ATOM 1100 CD1 TRP A 76 1.512 -2.613 -1.706 1.00 0.00 C ATOM 1101 CD2 TRP A 76 3.562 -2.731 -2.627 1.00 0.00 C ATOM 1102 NE1 TRP A 76 2.384 -3.220 -0.820 1.00 0.00 N ATOM 1103 CE2 TRP A 76 3.659 -3.316 -1.343 1.00 0.00 C ATOM 1104 CE3 TRP A 76 4.721 -2.679 -3.422 1.00 0.00 C ATOM 1105 CZ2 TRP A 76 4.863 -3.830 -0.863 1.00 0.00 C ATOM 1106 CZ3 TRP A 76 5.936 -3.196 -2.942 1.00 0.00 C ATOM 1107 CH2 TRP A 76 6.007 -3.771 -1.665 1.00 0.00 C ATOM 0 H TRP A 76 -0.986 -1.762 -4.743 1.00 0.00 H new ATOM 0 HA TRP A 76 0.562 -0.470 -2.520 1.00 0.00 H new ATOM 0 HB2 TRP A 76 1.216 -2.365 -4.729 1.00 0.00 H new ATOM 0 HB3 TRP A 76 2.355 -1.044 -4.553 1.00 0.00 H new ATOM 0 HD1 TRP A 76 0.463 -2.426 -1.527 1.00 0.00 H new ATOM 0 HE1 TRP A 76 2.118 -3.556 0.106 1.00 0.00 H new ATOM 0 HE3 TRP A 76 4.677 -2.239 -4.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.912 -4.271 0.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 6.820 -3.150 -3.560 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.944 -4.168 -1.302 1.00 0.00 H new ATOM 1118 N VAL A 77 -0.159 0.652 -5.507 1.00 0.00 N ATOM 1119 CA VAL A 77 -0.136 1.893 -6.332 1.00 0.00 C ATOM 1120 C VAL A 77 -1.500 2.584 -6.272 1.00 0.00 C ATOM 1121 O VAL A 77 -2.072 2.935 -7.283 1.00 0.00 O ATOM 1122 CB VAL A 77 0.184 1.535 -7.784 1.00 0.00 C ATOM 1123 CG1 VAL A 77 1.394 0.600 -7.827 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -1.022 0.834 -8.412 1.00 0.00 C ATOM 0 H VAL A 77 -0.718 -0.113 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 77 0.627 2.566 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 77 0.409 2.445 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.621 0.346 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.254 1.097 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.170 -0.310 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.796 0.578 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.246 -0.075 -7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.885 1.499 -8.383 1.00 0.00 H new ATOM 1134 N LYS A 78 -2.024 2.789 -5.094 1.00 0.00 N ATOM 1135 CA LYS A 78 -3.348 3.464 -4.979 1.00 0.00 C ATOM 1136 C LYS A 78 -3.214 4.695 -4.082 1.00 0.00 C ATOM 1137 O LYS A 78 -3.119 4.589 -2.875 1.00 0.00 O ATOM 1138 CB LYS A 78 -4.368 2.495 -4.374 1.00 0.00 C ATOM 1139 CG LYS A 78 -5.572 2.370 -5.309 1.00 0.00 C ATOM 1140 CD LYS A 78 -6.711 1.651 -4.584 1.00 0.00 C ATOM 1141 CE LYS A 78 -7.545 0.864 -5.598 1.00 0.00 C ATOM 1142 NZ LYS A 78 -8.326 1.813 -6.439 1.00 0.00 N ATOM 0 H LYS A 78 -1.594 2.519 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.687 3.771 -5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.910 1.518 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.690 2.853 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.899 3.358 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.293 1.818 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.307 0.977 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.339 2.374 -4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.895 0.255 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.218 0.181 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.229 1.550 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.329 1.774 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.966 2.779 -6.298 1.00 0.00 H new ATOM 1156 N GLY A 79 -3.204 5.864 -4.662 1.00 0.00 N ATOM 1157 CA GLY A 79 -3.074 7.102 -3.844 1.00 0.00 C ATOM 1158 C GLY A 79 -1.599 7.499 -3.745 1.00 0.00 C ATOM 1159 O GLY A 79 -1.239 8.416 -3.035 1.00 0.00 O ATOM 0 H GLY A 79 -3.280 6.015 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.649 7.910 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.484 6.937 -2.848 1.00 0.00 H new ATOM 1163 N LYS A 80 -0.743 6.813 -4.453 1.00 0.00 N ATOM 1164 CA LYS A 80 0.708 7.152 -4.398 1.00 0.00 C ATOM 1165 C LYS A 80 1.078 8.016 -5.606 1.00 0.00 C ATOM 1166 O LYS A 80 0.268 8.261 -6.478 1.00 0.00 O ATOM 1167 CB LYS A 80 1.533 5.864 -4.423 1.00 0.00 C ATOM 1168 CG LYS A 80 1.158 4.996 -3.221 1.00 0.00 C ATOM 1169 CD LYS A 80 1.660 5.658 -1.936 1.00 0.00 C ATOM 1170 CE LYS A 80 1.783 4.605 -0.833 1.00 0.00 C ATOM 1171 NZ LYS A 80 1.663 5.263 0.499 1.00 0.00 N ATOM 0 H LYS A 80 -0.985 6.034 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 80 0.917 7.702 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.350 5.320 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.597 6.100 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.077 4.865 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.595 4.003 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.626 6.131 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.972 6.445 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.006 3.850 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.741 4.091 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.747 4.547 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.420 5.968 0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.739 5.734 0.572 1.00 0.00 H new ATOM 1185 N SER A 81 2.295 8.483 -5.663 1.00 0.00 N ATOM 1186 CA SER A 81 2.716 9.331 -6.813 1.00 0.00 C ATOM 1187 C SER A 81 3.237 8.440 -7.942 1.00 0.00 C ATOM 1188 O SER A 81 3.697 7.339 -7.716 1.00 0.00 O ATOM 1189 CB SER A 81 3.824 10.285 -6.367 1.00 0.00 C ATOM 1190 OG SER A 81 4.442 10.856 -7.513 1.00 0.00 O ATOM 0 H SER A 81 3.016 8.314 -4.962 1.00 0.00 H new ATOM 0 HA SER A 81 1.862 9.907 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.411 11.070 -5.734 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.562 9.749 -5.770 1.00 0.00 H new ATOM 0 HG SER A 81 5.152 11.470 -7.230 1.00 0.00 H new ATOM 1196 N LEU A 82 3.169 8.909 -9.158 1.00 0.00 N ATOM 1197 CA LEU A 82 3.662 8.091 -10.301 1.00 0.00 C ATOM 1198 C LEU A 82 5.158 7.823 -10.127 1.00 0.00 C ATOM 1199 O LEU A 82 5.705 6.904 -10.704 1.00 0.00 O ATOM 1200 CB LEU A 82 3.427 8.851 -11.608 1.00 0.00 C ATOM 1201 CG LEU A 82 1.928 8.894 -11.912 1.00 0.00 C ATOM 1202 CD1 LEU A 82 1.657 9.939 -12.997 1.00 0.00 C ATOM 1203 CD2 LEU A 82 1.463 7.520 -12.402 1.00 0.00 C ATOM 0 H LEU A 82 2.793 9.823 -9.409 1.00 0.00 H new ATOM 0 HA LEU A 82 3.125 7.143 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.822 9.864 -11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.961 8.365 -12.425 1.00 0.00 H new ATOM 0 HG LEU A 82 1.383 9.159 -11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.589 9.970 -13.214 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.985 10.918 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.203 9.674 -13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.395 7.553 -12.618 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.008 7.253 -13.307 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.654 6.775 -11.630 1.00 0.00 H new ATOM 1215 N GLU A 83 5.824 8.617 -9.333 1.00 0.00 N ATOM 1216 CA GLU A 83 7.284 8.405 -9.123 1.00 0.00 C ATOM 1217 C GLU A 83 7.508 7.054 -8.441 1.00 0.00 C ATOM 1218 O GLU A 83 8.523 6.412 -8.630 1.00 0.00 O ATOM 1219 CB GLU A 83 7.843 9.520 -8.235 1.00 0.00 C ATOM 1220 CG GLU A 83 9.299 9.211 -7.887 1.00 0.00 C ATOM 1221 CD GLU A 83 9.861 10.325 -7.000 1.00 0.00 C ATOM 1222 OE1 GLU A 83 9.142 10.779 -6.126 1.00 0.00 O ATOM 1223 OE2 GLU A 83 11.001 10.705 -7.213 1.00 0.00 O ATOM 0 H GLU A 83 5.421 9.402 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 83 7.794 8.419 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.776 10.478 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.250 9.606 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.365 8.253 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.891 9.124 -8.798 1.00 0.00 H new ATOM 1230 N GLU A 84 6.568 6.618 -7.648 1.00 0.00 N ATOM 1231 CA GLU A 84 6.728 5.309 -6.954 1.00 0.00 C ATOM 1232 C GLU A 84 6.118 4.199 -7.813 1.00 0.00 C ATOM 1233 O GLU A 84 6.616 3.091 -7.857 1.00 0.00 O ATOM 1234 CB GLU A 84 6.012 5.360 -5.602 1.00 0.00 C ATOM 1235 CG GLU A 84 6.776 6.289 -4.656 1.00 0.00 C ATOM 1236 CD GLU A 84 6.545 5.848 -3.210 1.00 0.00 C ATOM 1237 OE1 GLU A 84 5.404 5.874 -2.779 1.00 0.00 O ATOM 1238 OE2 GLU A 84 7.513 5.492 -2.559 1.00 0.00 O ATOM 0 H GLU A 84 5.697 7.111 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 84 7.787 5.106 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.990 5.716 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.948 4.360 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.841 6.266 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.442 7.318 -4.791 1.00 0.00 H new ATOM 1245 N ALA A 85 5.046 4.487 -8.498 1.00 0.00 N ATOM 1246 CA ALA A 85 4.408 3.448 -9.355 1.00 0.00 C ATOM 1247 C ALA A 85 5.322 3.135 -10.540 1.00 0.00 C ATOM 1248 O ALA A 85 5.441 2.002 -10.963 1.00 0.00 O ATOM 1249 CB ALA A 85 3.063 3.967 -9.868 1.00 0.00 C ATOM 0 H ALA A 85 4.584 5.396 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 85 4.248 2.541 -8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.595 3.208 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.413 4.190 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.222 4.873 -10.453 1.00 0.00 H new ATOM 1255 N GLY A 86 5.971 4.131 -11.079 1.00 0.00 N ATOM 1256 CA GLY A 86 6.879 3.889 -12.235 1.00 0.00 C ATOM 1257 C GLY A 86 8.303 3.666 -11.724 1.00 0.00 C ATOM 1258 O GLY A 86 9.224 4.366 -12.096 1.00 0.00 O ATOM 0 H GLY A 86 5.912 5.101 -10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.543 3.019 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.854 4.740 -12.916 1.00 0.00 H new ATOM 1262 N ALA A 87 8.491 2.694 -10.875 1.00 0.00 N ATOM 1263 CA ALA A 87 9.855 2.423 -10.340 1.00 0.00 C ATOM 1264 C ALA A 87 9.879 1.026 -9.724 1.00 0.00 C ATOM 1265 O ALA A 87 10.867 0.322 -9.786 1.00 0.00 O ATOM 1266 CB ALA A 87 10.201 3.461 -9.270 1.00 0.00 C ATOM 0 H ALA A 87 7.758 2.075 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 87 10.586 2.482 -11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.199 3.262 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.175 4.458 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.475 3.403 -8.459 1.00 0.00 H new ATOM 1272 N ILE A 88 8.791 0.618 -9.132 1.00 0.00 N ATOM 1273 CA ILE A 88 8.738 -0.733 -8.513 1.00 0.00 C ATOM 1274 C ILE A 88 9.347 -1.757 -9.473 1.00 0.00 C ATOM 1275 O ILE A 88 9.644 -2.873 -9.099 1.00 0.00 O ATOM 1276 CB ILE A 88 7.281 -1.102 -8.235 1.00 0.00 C ATOM 1277 CG1 ILE A 88 6.454 -0.904 -9.508 1.00 0.00 C ATOM 1278 CG2 ILE A 88 6.729 -0.205 -7.125 1.00 0.00 C ATOM 1279 CD1 ILE A 88 4.988 -0.678 -9.135 1.00 0.00 C ATOM 0 H ILE A 88 7.934 1.165 -9.051 1.00 0.00 H new ATOM 0 HA ILE A 88 9.301 -0.731 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 88 7.224 -2.144 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.833 -0.051 -10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.545 -1.778 -10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.690 -0.469 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.318 -0.344 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 88 6.786 0.838 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.399 -0.537 -10.042 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.613 -1.545 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.905 0.209 -8.507 1.00 0.00 H new ATOM 1291 N LYS A 89 9.533 -1.385 -10.710 1.00 0.00 N ATOM 1292 CA LYS A 89 10.119 -2.339 -11.694 1.00 0.00 C ATOM 1293 C LYS A 89 9.415 -3.692 -11.567 1.00 0.00 C ATOM 1294 O LYS A 89 8.453 -3.835 -10.839 1.00 0.00 O ATOM 1295 CB LYS A 89 11.614 -2.506 -11.413 1.00 0.00 C ATOM 1296 CG LYS A 89 12.390 -1.376 -12.093 1.00 0.00 C ATOM 1297 CD LYS A 89 13.648 -1.055 -11.281 1.00 0.00 C ATOM 1298 CE LYS A 89 14.620 -0.247 -12.144 1.00 0.00 C ATOM 1299 NZ LYS A 89 15.046 -1.065 -13.314 1.00 0.00 N ATOM 0 H LYS A 89 9.305 -0.463 -11.082 1.00 0.00 H new ATOM 0 HA LYS A 89 9.984 -1.954 -12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.797 -2.492 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.959 -3.472 -11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.664 -1.668 -13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.762 -0.489 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.383 -0.490 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.123 -1.977 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.143 0.672 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.490 0.044 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.001 -0.778 -13.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.052 -2.071 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.382 -0.917 -14.101 1.00 0.00 H new ATOM 1313 N ASN A 90 9.883 -4.686 -12.272 1.00 0.00 N ATOM 1314 CA ASN A 90 9.232 -6.024 -12.190 1.00 0.00 C ATOM 1315 C ASN A 90 10.005 -6.915 -11.214 1.00 0.00 C ATOM 1316 O ASN A 90 9.468 -7.852 -10.655 1.00 0.00 O ATOM 1317 CB ASN A 90 9.230 -6.672 -13.576 1.00 0.00 C ATOM 1318 CG ASN A 90 10.614 -7.248 -13.876 1.00 0.00 C ATOM 1319 OD1 ASN A 90 11.585 -6.890 -13.239 1.00 0.00 O ATOM 1320 ND2 ASN A 90 10.748 -8.131 -14.827 1.00 0.00 N ATOM 0 H ASN A 90 10.685 -4.630 -12.899 1.00 0.00 H new ATOM 0 HA ASN A 90 8.207 -5.907 -11.838 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.480 -7.462 -13.618 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.960 -5.935 -14.332 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.667 -8.520 -15.035 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.933 -8.432 -15.362 1.00 0.00 H new ATOM 1327 N SER A 91 11.262 -6.634 -11.005 1.00 0.00 N ATOM 1328 CA SER A 91 12.066 -7.469 -10.069 1.00 0.00 C ATOM 1329 C SER A 91 11.609 -7.219 -8.629 1.00 0.00 C ATOM 1330 O SER A 91 11.764 -8.059 -7.765 1.00 0.00 O ATOM 1331 CB SER A 91 13.545 -7.104 -10.204 1.00 0.00 C ATOM 1332 OG SER A 91 14.183 -7.247 -8.941 1.00 0.00 O ATOM 0 H SER A 91 11.767 -5.863 -11.442 1.00 0.00 H new ATOM 0 HA SER A 91 11.925 -8.522 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.024 -7.748 -10.941 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.647 -6.079 -10.562 1.00 0.00 H new ATOM 0 HG SER A 91 15.131 -7.015 -9.025 1.00 0.00 H new ATOM 1338 N GLN A 92 11.050 -6.070 -8.360 1.00 0.00 N ATOM 1339 CA GLN A 92 10.590 -5.774 -6.973 1.00 0.00 C ATOM 1340 C GLN A 92 9.328 -6.584 -6.665 1.00 0.00 C ATOM 1341 O GLN A 92 9.328 -7.448 -5.812 1.00 0.00 O ATOM 1342 CB GLN A 92 10.281 -4.281 -6.842 1.00 0.00 C ATOM 1343 CG GLN A 92 10.263 -3.890 -5.361 1.00 0.00 C ATOM 1344 CD GLN A 92 11.382 -2.885 -5.081 1.00 0.00 C ATOM 1345 OE1 GLN A 92 11.130 -1.790 -4.619 1.00 0.00 O ATOM 1346 NE2 GLN A 92 12.618 -3.213 -5.343 1.00 0.00 N ATOM 0 H GLN A 92 10.892 -5.325 -9.039 1.00 0.00 H new ATOM 0 HA GLN A 92 11.376 -6.046 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.031 -3.696 -7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.318 -4.057 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.298 -3.456 -5.101 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.392 -4.776 -4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.830 -4.132 -5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.371 -2.550 -5.160 1.00 0.00 H new ATOM 1355 N ILE A 93 8.251 -6.310 -7.350 1.00 0.00 N ATOM 1356 CA ILE A 93 6.991 -7.063 -7.090 1.00 0.00 C ATOM 1357 C ILE A 93 7.281 -8.565 -7.099 1.00 0.00 C ATOM 1358 O ILE A 93 6.728 -9.317 -6.321 1.00 0.00 O ATOM 1359 CB ILE A 93 5.962 -6.731 -8.172 1.00 0.00 C ATOM 1360 CG1 ILE A 93 4.576 -7.197 -7.716 1.00 0.00 C ATOM 1361 CG2 ILE A 93 6.336 -7.446 -9.471 1.00 0.00 C ATOM 1362 CD1 ILE A 93 3.500 -6.358 -8.408 1.00 0.00 C ATOM 0 H ILE A 93 8.189 -5.598 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 93 6.594 -6.778 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 93 5.949 -5.654 -8.341 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.439 -8.252 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.487 -7.101 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 93 5.602 -7.209 -10.241 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.323 -7.117 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.350 -8.523 -9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.514 -6.691 -8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.633 -5.308 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.585 -6.477 -9.488 1.00 0.00 H new ATOM 1374 N ALA A 94 8.141 -9.011 -7.974 1.00 0.00 N ATOM 1375 CA ALA A 94 8.461 -10.464 -8.028 1.00 0.00 C ATOM 1376 C ALA A 94 9.031 -10.909 -6.679 1.00 0.00 C ATOM 1377 O ALA A 94 8.640 -11.920 -6.131 1.00 0.00 O ATOM 1378 CB ALA A 94 9.492 -10.720 -9.130 1.00 0.00 C ATOM 0 H ALA A 94 8.635 -8.432 -8.653 1.00 0.00 H new ATOM 0 HA ALA A 94 7.554 -11.029 -8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.726 -11.784 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.085 -10.402 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.400 -10.156 -8.917 1.00 0.00 H new ATOM 1384 N GLU A 95 9.951 -10.158 -6.137 1.00 0.00 N ATOM 1385 CA GLU A 95 10.543 -10.536 -4.824 1.00 0.00 C ATOM 1386 C GLU A 95 9.464 -10.470 -3.742 1.00 0.00 C ATOM 1387 O GLU A 95 9.516 -11.177 -2.756 1.00 0.00 O ATOM 1388 CB GLU A 95 11.675 -9.566 -4.477 1.00 0.00 C ATOM 1389 CG GLU A 95 12.123 -9.797 -3.033 1.00 0.00 C ATOM 1390 CD GLU A 95 13.368 -8.956 -2.743 1.00 0.00 C ATOM 1391 OE1 GLU A 95 13.771 -8.209 -3.619 1.00 0.00 O ATOM 1392 OE2 GLU A 95 13.896 -9.074 -1.650 1.00 0.00 O ATOM 0 H GLU A 95 10.318 -9.299 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 95 10.939 -11.550 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.514 -9.712 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.338 -8.537 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.321 -9.528 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.339 -10.853 -2.873 1.00 0.00 H new ATOM 1399 N GLU A 96 8.484 -9.626 -3.918 1.00 0.00 N ATOM 1400 CA GLU A 96 7.402 -9.516 -2.900 1.00 0.00 C ATOM 1401 C GLU A 96 6.523 -10.768 -2.954 1.00 0.00 C ATOM 1402 O GLU A 96 5.944 -11.175 -1.966 1.00 0.00 O ATOM 1403 CB GLU A 96 6.548 -8.281 -3.194 1.00 0.00 C ATOM 1404 CG GLU A 96 6.069 -7.661 -1.879 1.00 0.00 C ATOM 1405 CD GLU A 96 4.995 -8.553 -1.254 1.00 0.00 C ATOM 1406 OE1 GLU A 96 4.477 -9.405 -1.957 1.00 0.00 O ATOM 1407 OE2 GLU A 96 4.708 -8.368 -0.083 1.00 0.00 O ATOM 0 H GLU A 96 8.386 -9.008 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 96 7.844 -9.424 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.128 -7.553 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.692 -8.557 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.907 -7.548 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.668 -6.664 -2.060 1.00 0.00 H new ATOM 1414 N LEU A 97 6.421 -11.383 -4.100 1.00 0.00 N ATOM 1415 CA LEU A 97 5.580 -12.608 -4.214 1.00 0.00 C ATOM 1416 C LEU A 97 6.456 -13.845 -4.007 1.00 0.00 C ATOM 1417 O LEU A 97 6.040 -14.820 -3.412 1.00 0.00 O ATOM 1418 CB LEU A 97 4.940 -12.660 -5.603 1.00 0.00 C ATOM 1419 CG LEU A 97 3.708 -11.753 -5.632 1.00 0.00 C ATOM 1420 CD1 LEU A 97 3.131 -11.719 -7.048 1.00 0.00 C ATOM 1421 CD2 LEU A 97 2.653 -12.299 -4.666 1.00 0.00 C ATOM 0 H LEU A 97 6.883 -11.091 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 97 4.797 -12.586 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.658 -12.340 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.657 -13.684 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 97 3.992 -10.744 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.253 -11.073 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.882 -11.333 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.846 -12.727 -7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.774 -11.654 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.370 -13.307 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.063 -12.324 -3.656 1.00 0.00 H new ATOM 1433 N GLU A 98 7.668 -13.814 -4.490 1.00 0.00 N ATOM 1434 CA GLU A 98 8.569 -14.987 -4.317 1.00 0.00 C ATOM 1435 C GLU A 98 8.066 -16.150 -5.176 1.00 0.00 C ATOM 1436 O GLU A 98 7.707 -17.197 -4.672 1.00 0.00 O ATOM 1437 CB GLU A 98 8.579 -15.406 -2.846 1.00 0.00 C ATOM 1438 CG GLU A 98 9.985 -15.864 -2.453 1.00 0.00 C ATOM 1439 CD GLU A 98 10.043 -16.095 -0.942 1.00 0.00 C ATOM 1440 OE1 GLU A 98 9.191 -16.810 -0.439 1.00 0.00 O ATOM 1441 OE2 GLU A 98 10.937 -15.553 -0.313 1.00 0.00 O ATOM 0 H GLU A 98 8.073 -13.027 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 98 9.579 -14.719 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.268 -14.571 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.864 -16.212 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.241 -16.782 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.719 -15.113 -2.745 1.00 0.00 H new ATOM 1448 N LEU A 99 8.038 -15.978 -6.468 1.00 0.00 N ATOM 1449 CA LEU A 99 7.559 -17.074 -7.356 1.00 0.00 C ATOM 1450 C LEU A 99 8.677 -17.472 -8.323 1.00 0.00 C ATOM 1451 O LEU A 99 9.495 -16.660 -8.704 1.00 0.00 O ATOM 1452 CB LEU A 99 6.342 -16.593 -8.149 1.00 0.00 C ATOM 1453 CG LEU A 99 6.699 -15.316 -8.912 1.00 0.00 C ATOM 1454 CD1 LEU A 99 5.910 -15.266 -10.222 1.00 0.00 C ATOM 1455 CD2 LEU A 99 6.343 -14.096 -8.058 1.00 0.00 C ATOM 0 H LEU A 99 8.326 -15.125 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 99 7.279 -17.937 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.020 -17.367 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.507 -16.404 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 99 7.767 -15.310 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.164 -14.356 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.161 -16.135 -10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.842 -15.272 -10.004 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.597 -13.185 -8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.275 -14.103 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.903 -14.130 -7.124 1.00 0.00 H new ATOM 1467 N PRO A 100 8.706 -18.718 -8.716 1.00 0.00 N ATOM 1468 CA PRO A 100 9.733 -19.246 -9.654 1.00 0.00 C ATOM 1469 C PRO A 100 10.056 -18.260 -10.780 1.00 0.00 C ATOM 1470 O PRO A 100 9.275 -17.382 -11.091 1.00 0.00 O ATOM 1471 CB PRO A 100 9.080 -20.507 -10.216 1.00 0.00 C ATOM 1472 CG PRO A 100 8.149 -20.985 -9.147 1.00 0.00 C ATOM 1473 CD PRO A 100 7.754 -19.763 -8.309 1.00 0.00 C ATOM 0 HA PRO A 100 10.686 -19.428 -9.157 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.541 -20.292 -11.139 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.828 -21.264 -10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.267 -21.452 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.632 -21.738 -8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.725 -19.462 -8.506 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.826 -19.973 -7.242 1.00 0.00 H new ATOM 1481 N PRO A 101 11.203 -18.411 -11.384 1.00 0.00 N ATOM 1482 CA PRO A 101 11.651 -17.527 -12.497 1.00 0.00 C ATOM 1483 C PRO A 101 10.871 -17.790 -13.789 1.00 0.00 C ATOM 1484 O PRO A 101 10.344 -16.885 -14.403 1.00 0.00 O ATOM 1485 CB PRO A 101 13.127 -17.888 -12.682 1.00 0.00 C ATOM 1486 CG PRO A 101 13.270 -19.275 -12.146 1.00 0.00 C ATOM 1487 CD PRO A 101 12.199 -19.445 -11.067 1.00 0.00 C ATOM 0 HA PRO A 101 11.488 -16.474 -12.268 1.00 0.00 H new ATOM 0 HB2 PRO A 101 13.413 -17.842 -13.733 1.00 0.00 H new ATOM 0 HB3 PRO A 101 13.771 -17.192 -12.145 1.00 0.00 H new ATOM 0 HG2 PRO A 101 13.140 -20.011 -12.939 1.00 0.00 H new ATOM 0 HG3 PRO A 101 14.266 -19.428 -11.730 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.760 -20.443 -11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 101 12.614 -19.306 -10.069 1.00 0.00 H new ATOM 1495 N VAL A 102 10.791 -19.026 -14.201 1.00 0.00 N ATOM 1496 CA VAL A 102 10.045 -19.349 -15.450 1.00 0.00 C ATOM 1497 C VAL A 102 8.599 -18.870 -15.315 1.00 0.00 C ATOM 1498 O VAL A 102 7.811 -18.977 -16.234 1.00 0.00 O ATOM 1499 CB VAL A 102 10.063 -20.863 -15.673 1.00 0.00 C ATOM 1500 CG1 VAL A 102 9.043 -21.233 -16.750 1.00 0.00 C ATOM 1501 CG2 VAL A 102 11.460 -21.294 -16.126 1.00 0.00 C ATOM 0 H VAL A 102 11.210 -19.826 -13.727 1.00 0.00 H new ATOM 0 HA VAL A 102 10.515 -18.850 -16.298 1.00 0.00 H new ATOM 0 HB VAL A 102 9.808 -21.370 -14.742 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.056 -22.311 -16.909 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.048 -20.925 -16.429 1.00 0.00 H new ATOM 0 HG13 VAL A 102 9.297 -20.726 -17.681 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.474 -22.372 -16.285 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.713 -20.786 -17.057 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.189 -21.031 -15.359 1.00 0.00 H new ATOM 1511 N LYS A 103 8.244 -18.340 -14.177 1.00 0.00 N ATOM 1512 CA LYS A 103 6.850 -17.851 -13.983 1.00 0.00 C ATOM 1513 C LYS A 103 6.870 -16.336 -13.773 1.00 0.00 C ATOM 1514 O LYS A 103 5.886 -15.741 -13.378 1.00 0.00 O ATOM 1515 CB LYS A 103 6.240 -18.529 -12.754 1.00 0.00 C ATOM 1516 CG LYS A 103 5.360 -19.700 -13.200 1.00 0.00 C ATOM 1517 CD LYS A 103 4.737 -20.367 -11.972 1.00 0.00 C ATOM 1518 CE LYS A 103 4.307 -21.792 -12.327 1.00 0.00 C ATOM 1519 NZ LYS A 103 5.504 -22.589 -12.717 1.00 0.00 N ATOM 0 H LYS A 103 8.860 -18.224 -13.372 1.00 0.00 H new ATOM 0 HA LYS A 103 6.252 -18.089 -14.863 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.030 -18.885 -12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.648 -17.811 -12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.577 -19.346 -13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.954 -20.424 -13.758 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.455 -20.386 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.877 -19.791 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.809 -22.256 -11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.587 -21.773 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.358 -23.585 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.649 -22.518 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.342 -22.221 -12.223 1.00 0.00 H new ATOM 1533 N VAL A 104 7.983 -15.707 -14.033 1.00 0.00 N ATOM 1534 CA VAL A 104 8.068 -14.232 -13.847 1.00 0.00 C ATOM 1535 C VAL A 104 7.441 -13.528 -15.052 1.00 0.00 C ATOM 1536 O VAL A 104 7.366 -12.317 -15.107 1.00 0.00 O ATOM 1537 CB VAL A 104 9.536 -13.818 -13.724 1.00 0.00 C ATOM 1538 CG1 VAL A 104 10.206 -13.899 -15.096 1.00 0.00 C ATOM 1539 CG2 VAL A 104 9.617 -12.383 -13.201 1.00 0.00 C ATOM 0 H VAL A 104 8.838 -16.152 -14.367 1.00 0.00 H new ATOM 0 HA VAL A 104 7.532 -13.949 -12.941 1.00 0.00 H new ATOM 0 HB VAL A 104 10.046 -14.488 -13.031 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.252 -13.604 -15.008 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.147 -14.921 -15.470 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.697 -13.229 -15.789 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.662 -12.086 -13.113 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.107 -11.714 -13.894 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.139 -12.325 -12.223 1.00 0.00 H new ATOM 1549 N HIS A 105 6.985 -14.277 -16.019 1.00 0.00 N ATOM 1550 CA HIS A 105 6.361 -13.647 -17.215 1.00 0.00 C ATOM 1551 C HIS A 105 5.185 -12.774 -16.770 1.00 0.00 C ATOM 1552 O HIS A 105 4.991 -11.680 -17.262 1.00 0.00 O ATOM 1553 CB HIS A 105 5.860 -14.736 -18.166 1.00 0.00 C ATOM 1554 CG HIS A 105 4.976 -15.693 -17.414 1.00 0.00 C ATOM 1555 ND1 HIS A 105 5.168 -15.977 -16.071 1.00 0.00 N ATOM 1556 CD2 HIS A 105 3.890 -16.438 -17.803 1.00 0.00 C ATOM 1557 CE1 HIS A 105 4.221 -16.859 -15.704 1.00 0.00 C ATOM 1558 NE2 HIS A 105 3.415 -17.174 -16.722 1.00 0.00 N ATOM 0 H HIS A 105 7.018 -15.296 -16.032 1.00 0.00 H new ATOM 0 HA HIS A 105 7.099 -13.032 -17.730 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.308 -14.287 -18.991 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.705 -15.270 -18.601 1.00 0.00 H new ATOM 0 HD2 HIS A 105 3.469 -16.451 -18.797 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.124 -17.263 -14.707 1.00 0.00 H new ATOM 0 HE2 HIS A 105 2.622 -17.816 -16.709 1.00 0.00 H new ATOM 1566 N CYS A 106 4.402 -13.249 -15.841 1.00 0.00 N ATOM 1567 CA CYS A 106 3.242 -12.446 -15.362 1.00 0.00 C ATOM 1568 C CYS A 106 3.752 -11.166 -14.697 1.00 0.00 C ATOM 1569 O CYS A 106 3.264 -10.084 -14.957 1.00 0.00 O ATOM 1570 CB CYS A 106 2.440 -13.262 -14.347 1.00 0.00 C ATOM 1571 SG CYS A 106 1.351 -14.413 -15.222 1.00 0.00 S ATOM 0 H CYS A 106 4.515 -14.158 -15.393 1.00 0.00 H new ATOM 0 HA CYS A 106 2.603 -12.189 -16.207 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.115 -13.811 -13.691 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.851 -12.598 -13.714 1.00 0.00 H new ATOM 0 HG CYS A 106 0.782 -15.208 -14.365 1.00 0.00 H new ATOM 1576 N SER A 107 4.730 -11.281 -13.841 1.00 0.00 N ATOM 1577 CA SER A 107 5.271 -10.071 -13.160 1.00 0.00 C ATOM 1578 C SER A 107 5.727 -9.059 -14.212 1.00 0.00 C ATOM 1579 O SER A 107 5.427 -7.884 -14.128 1.00 0.00 O ATOM 1580 CB SER A 107 6.459 -10.467 -12.284 1.00 0.00 C ATOM 1581 OG SER A 107 5.994 -11.235 -11.181 1.00 0.00 O ATOM 0 H SER A 107 5.178 -12.161 -13.584 1.00 0.00 H new ATOM 0 HA SER A 107 4.495 -9.625 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.178 -11.043 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.977 -9.576 -11.929 1.00 0.00 H new ATOM 0 HG SER A 107 6.754 -11.492 -10.618 1.00 0.00 H new ATOM 1587 N ILE A 108 6.449 -9.504 -15.204 1.00 0.00 N ATOM 1588 CA ILE A 108 6.921 -8.565 -16.260 1.00 0.00 C ATOM 1589 C ILE A 108 5.726 -7.788 -16.817 1.00 0.00 C ATOM 1590 O ILE A 108 5.779 -6.587 -16.990 1.00 0.00 O ATOM 1591 CB ILE A 108 7.586 -9.356 -17.390 1.00 0.00 C ATOM 1592 CG1 ILE A 108 8.962 -9.841 -16.931 1.00 0.00 C ATOM 1593 CG2 ILE A 108 7.747 -8.457 -18.617 1.00 0.00 C ATOM 1594 CD1 ILE A 108 9.331 -11.120 -17.685 1.00 0.00 C ATOM 0 H ILE A 108 6.732 -10.476 -15.329 1.00 0.00 H new ATOM 0 HA ILE A 108 7.643 -7.869 -15.832 1.00 0.00 H new ATOM 0 HB ILE A 108 6.964 -10.214 -17.647 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.710 -9.070 -17.114 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.953 -10.029 -15.857 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.220 -9.020 -19.421 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.767 -8.110 -18.945 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.368 -7.599 -18.360 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.312 -11.465 -17.358 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.588 -11.891 -17.480 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.357 -10.917 -18.756 1.00 0.00 H new ATOM 1606 N LEU A 109 4.646 -8.466 -17.098 1.00 0.00 N ATOM 1607 CA LEU A 109 3.449 -7.767 -17.642 1.00 0.00 C ATOM 1608 C LEU A 109 2.996 -6.688 -16.656 1.00 0.00 C ATOM 1609 O LEU A 109 2.726 -5.565 -17.032 1.00 0.00 O ATOM 1610 CB LEU A 109 2.317 -8.778 -17.846 1.00 0.00 C ATOM 1611 CG LEU A 109 2.259 -9.188 -19.318 1.00 0.00 C ATOM 1612 CD1 LEU A 109 3.559 -9.896 -19.705 1.00 0.00 C ATOM 1613 CD2 LEU A 109 1.079 -10.139 -19.534 1.00 0.00 C ATOM 0 H LEU A 109 4.542 -9.473 -16.974 1.00 0.00 H new ATOM 0 HA LEU A 109 3.701 -7.305 -18.596 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.481 -9.655 -17.219 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.366 -8.342 -17.541 1.00 0.00 H new ATOM 0 HG LEU A 109 2.132 -8.300 -19.937 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.516 -10.188 -20.754 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.401 -9.221 -19.550 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.688 -10.784 -19.087 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.036 -10.433 -20.583 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.208 -11.026 -18.914 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.152 -9.636 -19.259 1.00 0.00 H new ATOM 1625 N ALA A 110 2.913 -7.019 -15.396 1.00 0.00 N ATOM 1626 CA ALA A 110 2.478 -6.011 -14.389 1.00 0.00 C ATOM 1627 C ALA A 110 3.339 -4.752 -14.524 1.00 0.00 C ATOM 1628 O ALA A 110 2.835 -3.656 -14.665 1.00 0.00 O ATOM 1629 CB ALA A 110 2.643 -6.592 -12.982 1.00 0.00 C ATOM 0 H ALA A 110 3.128 -7.943 -15.021 1.00 0.00 H new ATOM 0 HA ALA A 110 1.432 -5.757 -14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.325 -5.855 -12.244 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.032 -7.489 -12.885 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.690 -6.846 -12.814 1.00 0.00 H new ATOM 1635 N GLU A 111 4.634 -4.901 -14.482 1.00 0.00 N ATOM 1636 CA GLU A 111 5.525 -3.713 -14.608 1.00 0.00 C ATOM 1637 C GLU A 111 5.309 -3.057 -15.973 1.00 0.00 C ATOM 1638 O GLU A 111 4.996 -1.887 -16.069 1.00 0.00 O ATOM 1639 CB GLU A 111 6.985 -4.156 -14.481 1.00 0.00 C ATOM 1640 CG GLU A 111 7.906 -3.004 -14.885 1.00 0.00 C ATOM 1641 CD GLU A 111 8.371 -3.204 -16.328 1.00 0.00 C ATOM 1642 OE1 GLU A 111 9.153 -4.111 -16.558 1.00 0.00 O ATOM 1643 OE2 GLU A 111 7.936 -2.447 -17.181 1.00 0.00 O ATOM 0 H GLU A 111 5.114 -5.794 -14.366 1.00 0.00 H new ATOM 0 HA GLU A 111 5.292 -2.998 -13.820 1.00 0.00 H new ATOM 0 HB2 GLU A 111 7.195 -4.461 -13.456 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.169 -5.023 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.381 -2.054 -14.790 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.766 -2.961 -14.217 1.00 0.00 H new ATOM 1650 N ASP A 112 5.476 -3.802 -17.032 1.00 0.00 N ATOM 1651 CA ASP A 112 5.283 -3.223 -18.392 1.00 0.00 C ATOM 1652 C ASP A 112 3.926 -2.520 -18.463 1.00 0.00 C ATOM 1653 O ASP A 112 3.679 -1.713 -19.338 1.00 0.00 O ATOM 1654 CB ASP A 112 5.331 -4.343 -19.433 1.00 0.00 C ATOM 1655 CG ASP A 112 6.786 -4.625 -19.813 1.00 0.00 C ATOM 1656 OD1 ASP A 112 7.488 -5.202 -18.999 1.00 0.00 O ATOM 1657 OD2 ASP A 112 7.172 -4.260 -20.910 1.00 0.00 O ATOM 0 H ASP A 112 5.738 -4.788 -17.014 1.00 0.00 H new ATOM 0 HA ASP A 112 6.075 -2.502 -18.594 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.867 -5.245 -19.034 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.762 -4.056 -20.317 1.00 0.00 H new ATOM 1662 N ALA A 113 3.042 -2.818 -17.550 1.00 0.00 N ATOM 1663 CA ALA A 113 1.702 -2.165 -17.571 1.00 0.00 C ATOM 1664 C ALA A 113 1.808 -0.764 -16.965 1.00 0.00 C ATOM 1665 O ALA A 113 1.408 0.214 -17.566 1.00 0.00 O ATOM 1666 CB ALA A 113 0.715 -3.001 -16.755 1.00 0.00 C ATOM 0 H ALA A 113 3.189 -3.484 -16.792 1.00 0.00 H new ATOM 0 HA ALA A 113 1.350 -2.090 -18.600 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.265 -2.524 -16.770 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.640 -3.999 -17.187 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.066 -3.077 -15.726 1.00 0.00 H new ATOM 1672 N ILE A 114 2.340 -0.658 -15.779 1.00 0.00 N ATOM 1673 CA ILE A 114 2.468 0.680 -15.135 1.00 0.00 C ATOM 1674 C ILE A 114 3.278 1.609 -16.042 1.00 0.00 C ATOM 1675 O ILE A 114 3.088 2.809 -16.048 1.00 0.00 O ATOM 1676 CB ILE A 114 3.176 0.530 -13.785 1.00 0.00 C ATOM 1677 CG1 ILE A 114 2.697 1.629 -12.834 1.00 0.00 C ATOM 1678 CG2 ILE A 114 4.690 0.647 -13.976 1.00 0.00 C ATOM 1679 CD1 ILE A 114 1.451 1.151 -12.088 1.00 0.00 C ATOM 0 H ILE A 114 2.692 -1.440 -15.227 1.00 0.00 H new ATOM 0 HA ILE A 114 1.477 1.105 -14.978 1.00 0.00 H new ATOM 0 HB ILE A 114 2.942 -0.448 -13.364 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.485 1.879 -12.124 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.473 2.537 -13.394 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.188 0.539 -13.012 1.00 0.00 H new ATOM 0 HG22 ILE A 114 5.033 -0.137 -14.651 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.929 1.622 -14.401 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.110 1.934 -11.411 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.663 0.923 -12.805 1.00 0.00 H new ATOM 0 HD13 ILE A 114 1.691 0.255 -11.516 1.00 0.00 H new ATOM 1691 N LYS A 115 4.183 1.065 -16.808 1.00 0.00 N ATOM 1692 CA LYS A 115 5.007 1.915 -17.713 1.00 0.00 C ATOM 1693 C LYS A 115 4.176 2.325 -18.930 1.00 0.00 C ATOM 1694 O LYS A 115 4.200 3.463 -19.357 1.00 0.00 O ATOM 1695 CB LYS A 115 6.234 1.127 -18.175 1.00 0.00 C ATOM 1696 CG LYS A 115 7.305 2.097 -18.677 1.00 0.00 C ATOM 1697 CD LYS A 115 8.277 2.419 -17.538 1.00 0.00 C ATOM 1698 CE LYS A 115 8.979 3.746 -17.827 1.00 0.00 C ATOM 1699 NZ LYS A 115 9.160 3.903 -19.298 1.00 0.00 N ATOM 0 H LYS A 115 4.388 0.067 -16.846 1.00 0.00 H new ATOM 0 HA LYS A 115 5.328 2.808 -17.177 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.626 0.530 -17.352 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.956 0.433 -18.968 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.844 1.657 -19.516 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.839 3.013 -19.042 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.739 2.479 -16.592 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.012 1.621 -17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.391 4.574 -17.432 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.947 3.774 -17.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.921 4.588 -19.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.411 2.985 -19.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.275 4.246 -19.722 1.00 0.00 H new ATOM 1713 N ALA A 116 3.442 1.407 -19.497 1.00 0.00 N ATOM 1714 CA ALA A 116 2.613 1.744 -20.688 1.00 0.00 C ATOM 1715 C ALA A 116 1.542 2.764 -20.298 1.00 0.00 C ATOM 1716 O ALA A 116 1.232 3.669 -21.046 1.00 0.00 O ATOM 1717 CB ALA A 116 1.942 0.474 -21.216 1.00 0.00 C ATOM 0 H ALA A 116 3.381 0.437 -19.186 1.00 0.00 H new ATOM 0 HA ALA A 116 3.250 2.170 -21.464 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.335 0.719 -22.088 1.00 0.00 H new ATOM 0 HB2 ALA A 116 2.706 -0.251 -21.498 1.00 0.00 H new ATOM 0 HB3 ALA A 116 1.307 0.048 -20.439 1.00 0.00 H new ATOM 1723 N ALA A 117 0.973 2.626 -19.132 1.00 0.00 N ATOM 1724 CA ALA A 117 -0.079 3.589 -18.698 1.00 0.00 C ATOM 1725 C ALA A 117 0.536 4.981 -18.534 1.00 0.00 C ATOM 1726 O ALA A 117 0.011 5.962 -19.023 1.00 0.00 O ATOM 1727 CB ALA A 117 -0.669 3.132 -17.362 1.00 0.00 C ATOM 0 H ALA A 117 1.191 1.889 -18.461 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.867 3.627 -19.450 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.438 3.836 -17.044 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.109 2.142 -17.478 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.120 3.093 -16.610 1.00 0.00 H new ATOM 1733 N ILE A 118 1.643 5.076 -17.850 1.00 0.00 N ATOM 1734 CA ILE A 118 2.286 6.406 -17.657 1.00 0.00 C ATOM 1735 C ILE A 118 2.723 6.961 -19.015 1.00 0.00 C ATOM 1736 O ILE A 118 2.511 8.118 -19.320 1.00 0.00 O ATOM 1737 CB ILE A 118 3.507 6.256 -16.748 1.00 0.00 C ATOM 1738 CG1 ILE A 118 3.061 5.722 -15.384 1.00 0.00 C ATOM 1739 CG2 ILE A 118 4.179 7.617 -16.565 1.00 0.00 C ATOM 1740 CD1 ILE A 118 4.269 5.149 -14.641 1.00 0.00 C ATOM 0 H ILE A 118 2.129 4.291 -17.417 1.00 0.00 H new ATOM 0 HA ILE A 118 1.575 7.091 -17.196 1.00 0.00 H new ATOM 0 HB ILE A 118 4.214 5.561 -17.201 1.00 0.00 H new ATOM 0 HG12 ILE A 118 2.607 6.522 -14.799 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.301 4.951 -15.514 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.049 7.509 -15.917 1.00 0.00 H new ATOM 0 HG22 ILE A 118 4.495 8.000 -17.535 1.00 0.00 H new ATOM 0 HG23 ILE A 118 3.473 8.313 -16.112 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.952 4.769 -13.670 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.703 4.337 -15.224 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.014 5.932 -14.499 1.00 0.00 H new ATOM 1752 N ALA A 119 3.329 6.146 -19.835 1.00 0.00 N ATOM 1753 CA ALA A 119 3.776 6.629 -21.171 1.00 0.00 C ATOM 1754 C ALA A 119 2.562 7.115 -21.965 1.00 0.00 C ATOM 1755 O ALA A 119 2.619 8.113 -22.656 1.00 0.00 O ATOM 1756 CB ALA A 119 4.455 5.486 -21.927 1.00 0.00 C ATOM 0 H ALA A 119 3.534 5.167 -19.637 1.00 0.00 H new ATOM 0 HA ALA A 119 4.483 7.449 -21.045 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.782 5.840 -22.905 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.318 5.137 -21.360 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.749 4.665 -22.056 1.00 0.00 H new ATOM 1762 N ASP A 120 1.461 6.419 -21.871 1.00 0.00 N ATOM 1763 CA ASP A 120 0.245 6.845 -22.620 1.00 0.00 C ATOM 1764 C ASP A 120 -0.322 8.114 -21.982 1.00 0.00 C ATOM 1765 O ASP A 120 -0.891 8.956 -22.649 1.00 0.00 O ATOM 1766 CB ASP A 120 -0.804 5.734 -22.567 1.00 0.00 C ATOM 1767 CG ASP A 120 -1.920 6.037 -23.569 1.00 0.00 C ATOM 1768 OD1 ASP A 120 -1.631 6.066 -24.754 1.00 0.00 O ATOM 1769 OD2 ASP A 120 -3.042 6.236 -23.136 1.00 0.00 O ATOM 0 H ASP A 120 1.352 5.575 -21.309 1.00 0.00 H new ATOM 0 HA ASP A 120 0.507 7.044 -23.659 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -0.344 4.773 -22.799 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -1.216 5.656 -21.561 1.00 0.00 H new ATOM 1774 N TYR A 121 -0.170 8.260 -20.694 1.00 0.00 N ATOM 1775 CA TYR A 121 -0.697 9.474 -20.013 1.00 0.00 C ATOM 1776 C TYR A 121 0.145 10.688 -20.417 1.00 0.00 C ATOM 1777 O TYR A 121 -0.369 11.770 -20.624 1.00 0.00 O ATOM 1778 CB TYR A 121 -0.629 9.273 -18.494 1.00 0.00 C ATOM 1779 CG TYR A 121 -0.412 10.603 -17.809 1.00 0.00 C ATOM 1780 CD1 TYR A 121 -1.301 11.660 -18.033 1.00 0.00 C ATOM 1781 CD2 TYR A 121 0.680 10.776 -16.950 1.00 0.00 C ATOM 1782 CE1 TYR A 121 -1.100 12.891 -17.398 1.00 0.00 C ATOM 1783 CE2 TYR A 121 0.883 12.008 -16.316 1.00 0.00 C ATOM 1784 CZ TYR A 121 -0.007 13.066 -16.540 1.00 0.00 C ATOM 1785 OH TYR A 121 0.193 14.279 -15.915 1.00 0.00 O ATOM 0 H TYR A 121 0.297 7.589 -20.084 1.00 0.00 H new ATOM 0 HA TYR A 121 -1.733 9.642 -20.307 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -1.552 8.816 -18.137 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.182 8.589 -18.245 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -2.143 11.526 -18.696 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.365 9.960 -16.776 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -1.788 13.706 -17.570 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.726 12.142 -15.654 1.00 0.00 H new ATOM 0 HH TYR A 121 0.995 14.230 -15.354 1.00 0.00 H new ATOM 1795 N LYS A 122 1.434 10.518 -20.528 1.00 0.00 N ATOM 1796 CA LYS A 122 2.307 11.661 -20.916 1.00 0.00 C ATOM 1797 C LYS A 122 2.198 11.902 -22.423 1.00 0.00 C ATOM 1798 O LYS A 122 2.542 12.955 -22.920 1.00 0.00 O ATOM 1799 CB LYS A 122 3.758 11.339 -20.556 1.00 0.00 C ATOM 1800 CG LYS A 122 3.985 11.602 -19.066 1.00 0.00 C ATOM 1801 CD LYS A 122 5.448 11.320 -18.715 1.00 0.00 C ATOM 1802 CE LYS A 122 6.343 12.371 -19.376 1.00 0.00 C ATOM 1803 NZ LYS A 122 7.127 11.734 -20.471 1.00 0.00 N ATOM 0 H LYS A 122 1.920 9.636 -20.367 1.00 0.00 H new ATOM 0 HA LYS A 122 1.989 12.556 -20.382 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.979 10.298 -20.790 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.436 11.951 -21.151 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.735 12.635 -18.826 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.328 10.969 -18.470 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.584 11.339 -17.634 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.729 10.323 -19.054 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.736 13.184 -19.774 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.016 12.808 -18.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.632 12.467 -21.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.814 11.068 -20.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.483 11.221 -21.106 1.00 0.00 H new ATOM 1817 N ALA A 123 1.723 10.933 -23.156 1.00 0.00 N ATOM 1818 CA ALA A 123 1.593 11.108 -24.629 1.00 0.00 C ATOM 1819 C ALA A 123 0.644 12.273 -24.923 1.00 0.00 C ATOM 1820 O ALA A 123 0.773 12.955 -25.919 1.00 0.00 O ATOM 1821 CB ALA A 123 1.036 9.826 -25.249 1.00 0.00 C ATOM 0 H ALA A 123 1.419 10.027 -22.798 1.00 0.00 H new ATOM 0 HA ALA A 123 2.573 11.321 -25.057 1.00 0.00 H new ATOM 0 HB1 ALA A 123 0.941 9.955 -26.327 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.713 8.997 -25.041 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.057 9.611 -24.822 1.00 0.00 H new ATOM 1827 N LYS A 124 -0.310 12.504 -24.062 1.00 0.00 N ATOM 1828 CA LYS A 124 -1.267 13.623 -24.294 1.00 0.00 C ATOM 1829 C LYS A 124 -0.877 14.819 -23.421 1.00 0.00 C ATOM 1830 O LYS A 124 -1.676 15.698 -23.166 1.00 0.00 O ATOM 1831 CB LYS A 124 -2.682 13.169 -23.931 1.00 0.00 C ATOM 1832 CG LYS A 124 -3.700 13.974 -24.740 1.00 0.00 C ATOM 1833 CD LYS A 124 -4.005 13.244 -26.050 1.00 0.00 C ATOM 1834 CE LYS A 124 -4.545 14.241 -27.077 1.00 0.00 C ATOM 1835 NZ LYS A 124 -5.428 15.228 -26.393 1.00 0.00 N ATOM 0 H LYS A 124 -0.468 11.967 -23.209 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.236 13.914 -25.344 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -2.798 12.105 -24.137 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -2.858 13.308 -22.864 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.616 14.106 -24.163 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.309 14.970 -24.949 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -3.102 12.766 -26.431 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -4.735 12.453 -25.876 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -3.720 14.755 -27.570 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -5.102 13.715 -27.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -6.074 15.656 -27.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -5.982 14.746 -25.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -4.846 15.972 -25.958 1.00 0.00 H new