USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 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 169:sc= 0.187 USER MOD Set 1.2: A 63 CYS SG : rot -118:sc= -1.22 USER MOD Set 1.3: A 105 HIS : no HE2:sc= -12.7! C(o=-13!,f=-15!) USER MOD Set 1.4: A 106 CYS SG : rot -5:sc= 0.951 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 42 GLN : amide:sc= -1.81! K(o=-1.9!,f=-2.6) USER MOD Set 2.3: A 44 GLN : amide:sc= -0.057 X(o=-1.9,f=-2.3) USER MOD Set 2.4: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 26 ASN : amide:sc= -1.03 K(o=-1,f=-1.9!) USER MOD Single : A 31 MET CE :methyl -126:sc= -0.0204 (180deg=-0.221) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.042) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.335 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 122:sc= -0.307 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 15:sc= -4.11! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.396 F(o=-1.1,f=-0.4) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0944 USER MOD Single : A 92 GLN : amide:sc= -0.021 K(o=-0.021,f=-2.1!) USER MOD Single : A 103 LYS NZ :NH3+ -158:sc= -0.0151 (180deg=-0.844) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 -9.243 12.686 -22.028 1.00 0.00 N ATOM 375 CA ASP A 24 -8.905 13.453 -20.795 1.00 0.00 C ATOM 376 C ASP A 24 -7.416 13.289 -20.484 1.00 0.00 C ATOM 377 O ASP A 24 -6.883 12.198 -20.503 1.00 0.00 O ATOM 378 CB ASP A 24 -9.733 12.926 -19.621 1.00 0.00 C ATOM 379 CG ASP A 24 -11.150 13.499 -19.700 1.00 0.00 C ATOM 380 OD1 ASP A 24 -11.922 13.007 -20.505 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.436 14.421 -18.954 1.00 0.00 O ATOM 0 HA ASP A 24 -9.129 14.508 -20.952 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.767 11.837 -19.646 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.267 13.209 -18.677 1.00 0.00 H new ATOM 386 N SER A 25 -6.740 14.369 -20.201 1.00 0.00 N ATOM 387 CA SER A 25 -5.285 14.279 -19.892 1.00 0.00 C ATOM 388 C SER A 25 -5.090 13.648 -18.512 1.00 0.00 C ATOM 389 O SER A 25 -3.983 13.527 -18.025 1.00 0.00 O ATOM 390 CB SER A 25 -4.678 15.682 -19.900 1.00 0.00 C ATOM 391 OG SER A 25 -4.418 16.088 -18.563 1.00 0.00 O ATOM 0 H SER A 25 -7.133 15.310 -20.170 1.00 0.00 H new ATOM 0 HA SER A 25 -4.792 13.662 -20.644 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.755 15.688 -20.480 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.361 16.384 -20.379 1.00 0.00 H new ATOM 0 HG SER A 25 -4.027 16.987 -18.564 1.00 0.00 H new ATOM 397 N ASN A 26 -6.155 13.247 -17.876 1.00 0.00 N ATOM 398 CA ASN A 26 -6.027 12.627 -16.528 1.00 0.00 C ATOM 399 C ASN A 26 -6.455 11.160 -16.597 1.00 0.00 C ATOM 400 O ASN A 26 -6.694 10.525 -15.589 1.00 0.00 O ATOM 401 CB ASN A 26 -6.924 13.372 -15.538 1.00 0.00 C ATOM 402 CG ASN A 26 -8.176 13.874 -16.260 1.00 0.00 C ATOM 403 OD1 ASN A 26 -9.149 13.157 -16.383 1.00 0.00 O ATOM 404 ND2 ASN A 26 -8.192 15.084 -16.748 1.00 0.00 N ATOM 0 H ASN A 26 -7.108 13.322 -18.231 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.990 12.688 -16.198 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.205 12.712 -14.718 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.383 14.211 -15.101 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.021 15.428 -17.233 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.375 15.686 -16.645 1.00 0.00 H new ATOM 411 N VAL A 27 -6.556 10.615 -17.779 1.00 0.00 N ATOM 412 CA VAL A 27 -6.971 9.190 -17.908 1.00 0.00 C ATOM 413 C VAL A 27 -5.911 8.415 -18.693 1.00 0.00 C ATOM 414 O VAL A 27 -5.763 8.582 -19.887 1.00 0.00 O ATOM 415 CB VAL A 27 -8.307 9.113 -18.648 1.00 0.00 C ATOM 416 CG1 VAL A 27 -8.553 7.676 -19.111 1.00 0.00 C ATOM 417 CG2 VAL A 27 -9.435 9.543 -17.708 1.00 0.00 C ATOM 0 H VAL A 27 -6.369 11.095 -18.660 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.078 8.754 -16.915 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.280 9.775 -19.514 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.505 7.622 -19.638 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.750 7.367 -19.780 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.579 7.014 -18.245 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.388 9.489 -18.234 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.460 8.881 -16.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.262 10.567 -17.376 1.00 0.00 H new ATOM 427 N GLY A 28 -5.175 7.564 -18.033 1.00 0.00 N ATOM 428 CA GLY A 28 -4.130 6.775 -18.743 1.00 0.00 C ATOM 429 C GLY A 28 -4.541 5.303 -18.777 1.00 0.00 C ATOM 430 O GLY A 28 -5.194 4.811 -17.878 1.00 0.00 O ATOM 0 H GLY A 28 -5.252 7.381 -17.033 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.001 7.152 -19.758 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.170 6.884 -18.238 1.00 0.00 H new ATOM 434 N THR A 29 -4.167 4.595 -19.807 1.00 0.00 N ATOM 435 CA THR A 29 -4.542 3.156 -19.894 1.00 0.00 C ATOM 436 C THR A 29 -3.357 2.349 -20.431 1.00 0.00 C ATOM 437 O THR A 29 -2.593 2.820 -21.250 1.00 0.00 O ATOM 438 CB THR A 29 -5.737 2.997 -20.836 1.00 0.00 C ATOM 439 OG1 THR A 29 -6.809 3.811 -20.380 1.00 0.00 O ATOM 440 CG2 THR A 29 -6.181 1.533 -20.865 1.00 0.00 C ATOM 0 H THR A 29 -3.619 4.950 -20.591 1.00 0.00 H new ATOM 0 HA THR A 29 -4.809 2.790 -18.903 1.00 0.00 H new ATOM 0 HB THR A 29 -5.448 3.304 -21.841 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.575 3.711 -20.983 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.032 1.424 -21.537 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.359 0.910 -21.217 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.469 1.220 -19.861 1.00 0.00 H new ATOM 448 N GLY A 30 -3.200 1.136 -19.976 1.00 0.00 N ATOM 449 CA GLY A 30 -2.066 0.297 -20.461 1.00 0.00 C ATOM 450 C GLY A 30 -2.542 -1.144 -20.649 1.00 0.00 C ATOM 451 O GLY A 30 -2.992 -1.787 -19.720 1.00 0.00 O ATOM 0 H GLY A 30 -3.808 0.689 -19.289 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.685 0.691 -21.403 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.244 0.329 -19.746 1.00 0.00 H new ATOM 455 N MET A 31 -2.448 -1.659 -21.845 1.00 0.00 N ATOM 456 CA MET A 31 -2.897 -3.058 -22.093 1.00 0.00 C ATOM 457 C MET A 31 -1.711 -3.901 -22.567 1.00 0.00 C ATOM 458 O MET A 31 -0.913 -3.468 -23.375 1.00 0.00 O ATOM 459 CB MET A 31 -3.987 -3.060 -23.167 1.00 0.00 C ATOM 460 CG MET A 31 -5.361 -3.165 -22.504 1.00 0.00 C ATOM 461 SD MET A 31 -6.647 -3.167 -23.777 1.00 0.00 S ATOM 462 CE MET A 31 -6.492 -4.906 -24.253 1.00 0.00 C ATOM 0 H MET A 31 -2.079 -1.171 -22.661 1.00 0.00 H new ATOM 0 HA MET A 31 -3.294 -3.480 -21.170 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.928 -2.148 -23.761 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.837 -3.896 -23.850 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.421 -4.077 -21.910 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.512 -2.329 -21.821 1.00 0.00 H new ATOM 0 HE1 MET A 31 -6.334 -4.976 -25.329 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.645 -5.352 -23.732 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.404 -5.439 -23.985 1.00 0.00 H new ATOM 472 N VAL A 32 -1.590 -5.103 -22.072 1.00 0.00 N ATOM 473 CA VAL A 32 -0.457 -5.974 -22.494 1.00 0.00 C ATOM 474 C VAL A 32 -0.946 -7.418 -22.625 1.00 0.00 C ATOM 475 O VAL A 32 -1.991 -7.776 -22.120 1.00 0.00 O ATOM 476 CB VAL A 32 0.656 -5.903 -21.448 1.00 0.00 C ATOM 477 CG1 VAL A 32 1.667 -4.828 -21.847 1.00 0.00 C ATOM 478 CG2 VAL A 32 0.051 -5.553 -20.086 1.00 0.00 C ATOM 0 H VAL A 32 -2.227 -5.519 -21.393 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.073 -5.633 -23.455 1.00 0.00 H new ATOM 0 HB VAL A 32 1.159 -6.868 -21.388 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.460 -4.779 -21.100 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.097 -5.076 -22.817 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.166 -3.862 -21.908 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.843 -5.502 -19.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.452 -4.588 -20.148 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.669 -6.320 -19.800 1.00 0.00 H new ATOM 488 N GLY A 33 -0.199 -8.250 -23.298 1.00 0.00 N ATOM 489 CA GLY A 33 -0.625 -9.670 -23.459 1.00 0.00 C ATOM 490 C GLY A 33 0.603 -10.582 -23.422 1.00 0.00 C ATOM 491 O GLY A 33 1.659 -10.235 -23.914 1.00 0.00 O ATOM 0 H GLY A 33 0.687 -8.009 -23.743 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.318 -9.945 -22.664 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.156 -9.796 -24.403 1.00 0.00 H new ATOM 495 N ALA A 34 0.475 -11.745 -22.845 1.00 0.00 N ATOM 496 CA ALA A 34 1.637 -12.675 -22.780 1.00 0.00 C ATOM 497 C ALA A 34 1.223 -14.045 -23.336 1.00 0.00 C ATOM 498 O ALA A 34 0.194 -14.580 -22.969 1.00 0.00 O ATOM 499 CB ALA A 34 2.083 -12.829 -21.323 1.00 0.00 C ATOM 0 H ALA A 34 -0.383 -12.091 -22.416 1.00 0.00 H new ATOM 0 HA ALA A 34 2.460 -12.275 -23.372 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.933 -13.509 -21.273 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.373 -11.856 -20.926 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.261 -13.232 -20.731 1.00 0.00 H new ATOM 505 N PRO A 35 2.013 -14.611 -24.215 1.00 0.00 N ATOM 506 CA PRO A 35 1.713 -15.939 -24.826 1.00 0.00 C ATOM 507 C PRO A 35 1.934 -17.098 -23.847 1.00 0.00 C ATOM 508 O PRO A 35 1.041 -17.879 -23.585 1.00 0.00 O ATOM 509 CB PRO A 35 2.696 -16.034 -25.994 1.00 0.00 C ATOM 510 CG PRO A 35 3.840 -15.149 -25.625 1.00 0.00 C ATOM 511 CD PRO A 35 3.276 -14.049 -24.723 1.00 0.00 C ATOM 0 HA PRO A 35 0.668 -16.015 -25.127 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.027 -17.061 -26.145 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.232 -15.708 -26.925 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.614 -15.714 -25.107 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.300 -14.721 -26.515 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.961 -13.810 -23.910 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.107 -13.126 -25.278 1.00 0.00 H new ATOM 519 N ALA A 36 3.117 -17.218 -23.310 1.00 0.00 N ATOM 520 CA ALA A 36 3.393 -18.329 -22.354 1.00 0.00 C ATOM 521 C ALA A 36 2.146 -18.605 -21.511 1.00 0.00 C ATOM 522 O ALA A 36 1.894 -19.723 -21.106 1.00 0.00 O ATOM 523 CB ALA A 36 4.555 -17.934 -21.438 1.00 0.00 C ATOM 0 H ALA A 36 3.904 -16.596 -23.491 1.00 0.00 H new ATOM 0 HA ALA A 36 3.657 -19.229 -22.910 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.759 -18.745 -20.738 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.444 -17.742 -22.040 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.291 -17.034 -20.883 1.00 0.00 H new ATOM 529 N CYS A 37 1.362 -17.597 -21.243 1.00 0.00 N ATOM 530 CA CYS A 37 0.133 -17.806 -20.426 1.00 0.00 C ATOM 531 C CYS A 37 -1.103 -17.445 -21.256 1.00 0.00 C ATOM 532 O CYS A 37 -2.220 -17.513 -20.782 1.00 0.00 O ATOM 533 CB CYS A 37 0.188 -16.915 -19.184 1.00 0.00 C ATOM 534 SG CYS A 37 1.306 -17.648 -17.962 1.00 0.00 S ATOM 0 H CYS A 37 1.519 -16.638 -21.554 1.00 0.00 H new ATOM 0 HA CYS A 37 0.074 -18.851 -20.123 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.532 -15.917 -19.455 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.810 -16.804 -18.759 1.00 0.00 H new ATOM 0 HG CYS A 37 1.539 -16.787 -17.016 1.00 0.00 H new ATOM 539 N GLY A 38 -0.911 -17.061 -22.487 1.00 0.00 N ATOM 540 CA GLY A 38 -2.076 -16.696 -23.343 1.00 0.00 C ATOM 541 C GLY A 38 -3.104 -15.927 -22.511 1.00 0.00 C ATOM 542 O GLY A 38 -4.257 -16.301 -22.432 1.00 0.00 O ATOM 0 H GLY A 38 0.001 -16.984 -22.938 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.745 -16.087 -24.184 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.530 -17.595 -23.760 1.00 0.00 H new ATOM 546 N ASP A 39 -2.694 -14.855 -21.889 1.00 0.00 N ATOM 547 CA ASP A 39 -3.647 -14.061 -21.063 1.00 0.00 C ATOM 548 C ASP A 39 -3.435 -12.572 -21.340 1.00 0.00 C ATOM 549 O ASP A 39 -2.425 -12.172 -21.883 1.00 0.00 O ATOM 550 CB ASP A 39 -3.398 -14.348 -19.580 1.00 0.00 C ATOM 551 CG ASP A 39 -3.881 -13.164 -18.740 1.00 0.00 C ATOM 552 OD1 ASP A 39 -3.300 -12.098 -18.866 1.00 0.00 O ATOM 553 OD2 ASP A 39 -4.823 -13.344 -17.985 1.00 0.00 O ATOM 0 H ASP A 39 -1.740 -14.495 -21.917 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.671 -14.337 -21.317 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.922 -15.256 -19.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.336 -14.521 -19.406 1.00 0.00 H new ATOM 558 N VAL A 40 -4.378 -11.748 -20.975 1.00 0.00 N ATOM 559 CA VAL A 40 -4.223 -10.286 -21.224 1.00 0.00 C ATOM 560 C VAL A 40 -4.445 -9.515 -19.923 1.00 0.00 C ATOM 561 O VAL A 40 -5.431 -9.700 -19.238 1.00 0.00 O ATOM 562 CB VAL A 40 -5.250 -9.835 -22.266 1.00 0.00 C ATOM 563 CG1 VAL A 40 -5.106 -8.329 -22.507 1.00 0.00 C ATOM 564 CG2 VAL A 40 -5.009 -10.587 -23.576 1.00 0.00 C ATOM 0 H VAL A 40 -5.247 -12.022 -20.516 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.217 -10.088 -21.593 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.255 -10.050 -21.903 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.837 -8.008 -23.249 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.277 -7.793 -21.573 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.101 -8.113 -22.871 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.740 -10.267 -24.319 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.004 -10.372 -23.939 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.111 -11.659 -23.405 1.00 0.00 H new ATOM 574 N MET A 41 -3.535 -8.645 -19.578 1.00 0.00 N ATOM 575 CA MET A 41 -3.692 -7.856 -18.323 1.00 0.00 C ATOM 576 C MET A 41 -3.918 -6.385 -18.675 1.00 0.00 C ATOM 577 O MET A 41 -3.091 -5.754 -19.304 1.00 0.00 O ATOM 578 CB MET A 41 -2.425 -7.985 -17.474 1.00 0.00 C ATOM 579 CG MET A 41 -2.537 -7.077 -16.248 1.00 0.00 C ATOM 580 SD MET A 41 -1.969 -7.971 -14.781 1.00 0.00 S ATOM 581 CE MET A 41 -1.624 -6.522 -13.753 1.00 0.00 C ATOM 0 H MET A 41 -2.689 -8.446 -20.112 1.00 0.00 H new ATOM 0 HA MET A 41 -4.546 -8.235 -17.761 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.288 -9.020 -17.162 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.550 -7.711 -18.064 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.939 -6.177 -16.393 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.570 -6.755 -16.114 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.254 -6.846 -12.780 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.871 -5.902 -14.239 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.539 -5.944 -13.620 1.00 0.00 H new ATOM 591 N GLN A 42 -5.032 -5.832 -18.277 1.00 0.00 N ATOM 592 CA GLN A 42 -5.306 -4.402 -18.593 1.00 0.00 C ATOM 593 C GLN A 42 -5.221 -3.572 -17.310 1.00 0.00 C ATOM 594 O GLN A 42 -5.952 -3.794 -16.366 1.00 0.00 O ATOM 595 CB GLN A 42 -6.706 -4.272 -19.194 1.00 0.00 C ATOM 596 CG GLN A 42 -7.089 -2.793 -19.279 1.00 0.00 C ATOM 597 CD GLN A 42 -8.361 -2.640 -20.115 1.00 0.00 C ATOM 598 OE1 GLN A 42 -9.080 -1.670 -19.977 1.00 0.00 O ATOM 599 NE2 GLN A 42 -8.673 -3.564 -20.982 1.00 0.00 N ATOM 0 H GLN A 42 -5.762 -6.308 -17.748 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.569 -4.040 -19.310 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.731 -4.723 -20.186 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.428 -4.811 -18.581 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.248 -2.390 -18.279 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.276 -2.222 -19.727 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.070 -4.378 -21.099 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.520 -3.472 -21.543 1.00 0.00 H new ATOM 608 N LEU A 43 -4.332 -2.616 -17.269 1.00 0.00 N ATOM 609 CA LEU A 43 -4.205 -1.775 -16.045 1.00 0.00 C ATOM 610 C LEU A 43 -4.468 -0.310 -16.399 1.00 0.00 C ATOM 611 O LEU A 43 -3.907 0.224 -17.335 1.00 0.00 O ATOM 612 CB LEU A 43 -2.793 -1.915 -15.472 1.00 0.00 C ATOM 613 CG LEU A 43 -2.613 -0.932 -14.313 1.00 0.00 C ATOM 614 CD1 LEU A 43 -1.833 -1.609 -13.184 1.00 0.00 C ATOM 615 CD2 LEU A 43 -1.840 0.295 -14.802 1.00 0.00 C ATOM 0 H LEU A 43 -3.691 -2.382 -18.027 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.933 -2.105 -15.304 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.629 -2.936 -15.126 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.053 -1.719 -16.248 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.591 -0.624 -13.943 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.705 -0.908 -12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.383 -2.483 -12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.855 -1.918 -13.552 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.711 0.996 -13.977 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.862 -0.014 -15.172 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.395 0.778 -15.606 1.00 0.00 H new ATOM 627 N GLN A 44 -5.316 0.344 -15.654 1.00 0.00 N ATOM 628 CA GLN A 44 -5.616 1.775 -15.943 1.00 0.00 C ATOM 629 C GLN A 44 -5.365 2.606 -14.683 1.00 0.00 C ATOM 630 O GLN A 44 -5.544 2.139 -13.577 1.00 0.00 O ATOM 631 CB GLN A 44 -7.079 1.912 -16.367 1.00 0.00 C ATOM 632 CG GLN A 44 -7.573 0.577 -16.930 1.00 0.00 C ATOM 633 CD GLN A 44 -8.853 0.803 -17.736 1.00 0.00 C ATOM 634 OE1 GLN A 44 -8.917 1.693 -18.561 1.00 0.00 O ATOM 635 NE2 GLN A 44 -9.884 0.029 -17.532 1.00 0.00 N ATOM 0 H GLN A 44 -5.815 -0.051 -14.857 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.973 2.131 -16.748 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.690 2.208 -15.514 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.179 2.695 -17.118 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.806 0.132 -17.564 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.762 -0.124 -16.117 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.832 -0.718 -16.840 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.742 0.172 -18.065 1.00 0.00 H new ATOM 644 N ILE A 45 -4.950 3.834 -14.839 1.00 0.00 N ATOM 645 CA ILE A 45 -4.686 4.684 -13.645 1.00 0.00 C ATOM 646 C ILE A 45 -5.541 5.951 -13.714 1.00 0.00 C ATOM 647 O ILE A 45 -5.808 6.476 -14.776 1.00 0.00 O ATOM 648 CB ILE A 45 -3.206 5.069 -13.610 1.00 0.00 C ATOM 649 CG1 ILE A 45 -2.781 5.583 -14.987 1.00 0.00 C ATOM 650 CG2 ILE A 45 -2.369 3.842 -13.243 1.00 0.00 C ATOM 651 CD1 ILE A 45 -1.798 6.744 -14.816 1.00 0.00 C ATOM 0 H ILE A 45 -4.783 4.284 -15.739 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.939 4.127 -12.743 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.051 5.851 -12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.316 4.780 -15.559 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.655 5.912 -15.550 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.314 4.115 -13.218 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.672 3.475 -12.263 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.524 3.060 -13.987 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.494 7.111 -15.796 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.279 7.549 -14.260 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.920 6.400 -14.270 1.00 0.00 H new ATOM 663 N LYS A 46 -5.968 6.447 -12.584 1.00 0.00 N ATOM 664 CA LYS A 46 -6.803 7.680 -12.576 1.00 0.00 C ATOM 665 C LYS A 46 -5.993 8.835 -11.980 1.00 0.00 C ATOM 666 O LYS A 46 -5.834 8.940 -10.780 1.00 0.00 O ATOM 667 CB LYS A 46 -8.055 7.442 -11.729 1.00 0.00 C ATOM 668 CG LYS A 46 -8.738 8.778 -11.435 1.00 0.00 C ATOM 669 CD LYS A 46 -10.256 8.590 -11.459 1.00 0.00 C ATOM 670 CE LYS A 46 -10.911 9.599 -10.512 1.00 0.00 C ATOM 671 NZ LYS A 46 -11.165 8.950 -9.195 1.00 0.00 N ATOM 0 H LYS A 46 -5.774 6.050 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.098 7.929 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.742 6.779 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.786 6.947 -10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.423 9.154 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.441 9.521 -12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.634 8.728 -12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.512 7.574 -11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.264 10.467 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.847 9.960 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.610 9.634 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.798 8.135 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.264 8.626 -8.788 1.00 0.00 H new ATOM 685 N VAL A 47 -5.476 9.700 -12.809 1.00 0.00 N ATOM 686 CA VAL A 47 -4.673 10.844 -12.290 1.00 0.00 C ATOM 687 C VAL A 47 -5.610 11.950 -11.801 1.00 0.00 C ATOM 688 O VAL A 47 -6.514 12.365 -12.498 1.00 0.00 O ATOM 689 CB VAL A 47 -3.782 11.389 -13.408 1.00 0.00 C ATOM 690 CG1 VAL A 47 -2.819 12.429 -12.833 1.00 0.00 C ATOM 691 CG2 VAL A 47 -2.981 10.240 -14.025 1.00 0.00 C ATOM 0 H VAL A 47 -5.575 9.664 -13.824 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.052 10.504 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.403 11.854 -14.174 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.184 12.817 -13.630 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.388 13.247 -12.392 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.197 11.965 -12.067 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.345 10.626 -14.822 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.360 9.776 -13.258 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.666 9.498 -14.435 1.00 0.00 H new ATOM 701 N ASP A 48 -5.399 12.432 -10.606 1.00 0.00 N ATOM 702 CA ASP A 48 -6.276 13.512 -10.072 1.00 0.00 C ATOM 703 C ASP A 48 -6.099 14.775 -10.918 1.00 0.00 C ATOM 704 O ASP A 48 -7.035 15.270 -11.513 1.00 0.00 O ATOM 705 CB ASP A 48 -5.889 13.811 -8.622 1.00 0.00 C ATOM 706 CG ASP A 48 -7.061 14.485 -7.908 1.00 0.00 C ATOM 707 OD1 ASP A 48 -7.506 15.516 -8.385 1.00 0.00 O ATOM 708 OD2 ASP A 48 -7.494 13.960 -6.895 1.00 0.00 O ATOM 0 H ASP A 48 -4.657 12.124 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.317 13.190 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.620 12.888 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.012 14.458 -8.595 1.00 0.00 H new ATOM 713 N ASP A 49 -4.905 15.296 -10.975 1.00 0.00 N ATOM 714 CA ASP A 49 -4.663 16.525 -11.780 1.00 0.00 C ATOM 715 C ASP A 49 -3.298 17.106 -11.411 1.00 0.00 C ATOM 716 O ASP A 49 -2.673 17.795 -12.191 1.00 0.00 O ATOM 717 CB ASP A 49 -5.753 17.558 -11.482 1.00 0.00 C ATOM 718 CG ASP A 49 -6.842 17.485 -12.555 1.00 0.00 C ATOM 719 OD1 ASP A 49 -6.787 16.577 -13.370 1.00 0.00 O ATOM 720 OD2 ASP A 49 -7.715 18.337 -12.543 1.00 0.00 O ATOM 0 H ASP A 49 -4.085 14.922 -10.498 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.683 16.276 -12.841 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.185 17.371 -10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.322 18.559 -11.456 1.00 0.00 H new ATOM 725 N ASN A 50 -2.832 16.829 -10.225 1.00 0.00 N ATOM 726 CA ASN A 50 -1.507 17.361 -9.803 1.00 0.00 C ATOM 727 C ASN A 50 -0.426 16.319 -10.097 1.00 0.00 C ATOM 728 O ASN A 50 0.754 16.605 -10.057 1.00 0.00 O ATOM 729 CB ASN A 50 -1.530 17.664 -8.303 1.00 0.00 C ATOM 730 CG ASN A 50 -2.965 17.967 -7.865 1.00 0.00 C ATOM 731 OD1 ASN A 50 -3.420 19.089 -7.970 1.00 0.00 O ATOM 732 ND2 ASN A 50 -3.701 17.008 -7.375 1.00 0.00 N ATOM 0 H ASN A 50 -3.312 16.257 -9.530 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.291 18.277 -10.353 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.140 16.814 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.884 18.514 -8.083 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.658 17.200 -7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.319 16.066 -7.287 1.00 0.00 H new ATOM 739 N GLY A 51 -0.822 15.112 -10.393 1.00 0.00 N ATOM 740 CA GLY A 51 0.180 14.049 -10.691 1.00 0.00 C ATOM 741 C GLY A 51 0.092 12.954 -9.628 1.00 0.00 C ATOM 742 O GLY A 51 1.012 12.183 -9.439 1.00 0.00 O ATOM 0 H GLY A 51 -1.797 14.815 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.004 13.627 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.183 14.474 -10.708 1.00 0.00 H new ATOM 746 N ILE A 52 -1.009 12.879 -8.931 1.00 0.00 N ATOM 747 CA ILE A 52 -1.157 11.834 -7.880 1.00 0.00 C ATOM 748 C ILE A 52 -2.181 10.794 -8.337 1.00 0.00 C ATOM 749 O ILE A 52 -3.254 11.126 -8.801 1.00 0.00 O ATOM 750 CB ILE A 52 -1.632 12.485 -6.579 1.00 0.00 C ATOM 751 CG1 ILE A 52 -0.703 13.649 -6.225 1.00 0.00 C ATOM 752 CG2 ILE A 52 -1.605 11.452 -5.451 1.00 0.00 C ATOM 753 CD1 ILE A 52 0.515 13.119 -5.468 1.00 0.00 C ATOM 0 H ILE A 52 -1.813 13.497 -9.045 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.197 11.347 -7.712 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.649 12.855 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.385 14.163 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.234 14.379 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.943 11.916 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.264 10.621 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.588 11.082 -5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.176 13.948 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.188 12.625 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.050 12.405 -6.094 1.00 0.00 H new ATOM 765 N ILE A 53 -1.859 9.536 -8.211 1.00 0.00 N ATOM 766 CA ILE A 53 -2.814 8.475 -8.639 1.00 0.00 C ATOM 767 C ILE A 53 -3.984 8.416 -7.653 1.00 0.00 C ATOM 768 O ILE A 53 -3.966 7.665 -6.699 1.00 0.00 O ATOM 769 CB ILE A 53 -2.097 7.124 -8.661 1.00 0.00 C ATOM 770 CG1 ILE A 53 -1.000 7.148 -9.728 1.00 0.00 C ATOM 771 CG2 ILE A 53 -3.102 6.016 -8.986 1.00 0.00 C ATOM 772 CD1 ILE A 53 -0.303 5.788 -9.773 1.00 0.00 C ATOM 0 H ILE A 53 -0.976 9.197 -7.830 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.190 8.703 -9.636 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.651 6.933 -7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.430 7.380 -10.702 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.277 7.932 -9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.590 5.054 -9.002 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.883 5.999 -8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.549 6.205 -9.962 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.478 5.805 -10.533 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.141 5.574 -8.801 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.031 5.014 -10.018 1.00 0.00 H new ATOM 784 N GLU A 54 -5.001 9.203 -7.878 1.00 0.00 N ATOM 785 CA GLU A 54 -6.170 9.190 -6.953 1.00 0.00 C ATOM 786 C GLU A 54 -6.682 7.757 -6.796 1.00 0.00 C ATOM 787 O GLU A 54 -7.006 7.318 -5.710 1.00 0.00 O ATOM 788 CB GLU A 54 -7.283 10.070 -7.526 1.00 0.00 C ATOM 789 CG GLU A 54 -7.914 10.892 -6.400 1.00 0.00 C ATOM 790 CD GLU A 54 -8.710 9.968 -5.477 1.00 0.00 C ATOM 791 OE1 GLU A 54 -9.426 9.125 -5.990 1.00 0.00 O ATOM 792 OE2 GLU A 54 -8.589 10.120 -4.273 1.00 0.00 O ATOM 0 H GLU A 54 -5.073 9.853 -8.661 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.867 9.575 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.880 10.732 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.040 9.450 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.139 11.408 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.568 11.658 -6.817 1.00 0.00 H new ATOM 799 N ASP A 55 -6.760 7.021 -7.872 1.00 0.00 N ATOM 800 CA ASP A 55 -7.251 5.617 -7.781 1.00 0.00 C ATOM 801 C ASP A 55 -6.648 4.792 -8.918 1.00 0.00 C ATOM 802 O ASP A 55 -5.873 5.286 -9.713 1.00 0.00 O ATOM 803 CB ASP A 55 -8.777 5.604 -7.890 1.00 0.00 C ATOM 804 CG ASP A 55 -9.388 5.587 -6.488 1.00 0.00 C ATOM 805 OD1 ASP A 55 -8.933 4.800 -5.674 1.00 0.00 O ATOM 806 OD2 ASP A 55 -10.302 6.361 -6.252 1.00 0.00 O ATOM 0 H ASP A 55 -6.505 7.332 -8.809 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.953 5.187 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.121 6.482 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.105 4.729 -8.452 1.00 0.00 H new ATOM 811 N ALA A 56 -6.995 3.537 -9.003 1.00 0.00 N ATOM 812 CA ALA A 56 -6.437 2.684 -10.089 1.00 0.00 C ATOM 813 C ALA A 56 -7.377 1.507 -10.350 1.00 0.00 C ATOM 814 O ALA A 56 -7.545 0.637 -9.518 1.00 0.00 O ATOM 815 CB ALA A 56 -5.065 2.154 -9.665 1.00 0.00 C ATOM 0 H ALA A 56 -7.640 3.066 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.336 3.276 -10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.655 1.529 -10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.393 2.992 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.169 1.563 -8.755 1.00 0.00 H new ATOM 821 N LYS A 57 -7.988 1.469 -11.502 1.00 0.00 N ATOM 822 CA LYS A 57 -8.913 0.346 -11.820 1.00 0.00 C ATOM 823 C LYS A 57 -8.142 -0.739 -12.577 1.00 0.00 C ATOM 824 O LYS A 57 -7.507 -0.475 -13.577 1.00 0.00 O ATOM 825 CB LYS A 57 -10.061 0.860 -12.691 1.00 0.00 C ATOM 826 CG LYS A 57 -11.085 1.587 -11.814 1.00 0.00 C ATOM 827 CD LYS A 57 -12.420 0.840 -11.855 1.00 0.00 C ATOM 828 CE LYS A 57 -13.269 1.246 -10.649 1.00 0.00 C ATOM 829 NZ LYS A 57 -14.629 0.651 -10.780 1.00 0.00 N ATOM 0 H LYS A 57 -7.886 2.168 -12.238 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.319 -0.068 -10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.677 1.536 -13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.537 0.029 -13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.722 1.647 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.218 2.610 -12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.949 1.070 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.247 -0.236 -11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.798 0.905 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.339 2.332 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.208 0.926 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.077 0.997 -11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.552 -0.385 -10.818 1.00 0.00 H new ATOM 843 N PHE A 58 -8.186 -1.955 -12.103 1.00 0.00 N ATOM 844 CA PHE A 58 -7.446 -3.047 -12.797 1.00 0.00 C ATOM 845 C PHE A 58 -8.435 -4.068 -13.360 1.00 0.00 C ATOM 846 O PHE A 58 -9.615 -4.035 -13.071 1.00 0.00 O ATOM 847 CB PHE A 58 -6.511 -3.740 -11.803 1.00 0.00 C ATOM 848 CG PHE A 58 -7.326 -4.553 -10.826 1.00 0.00 C ATOM 849 CD1 PHE A 58 -7.870 -3.943 -9.690 1.00 0.00 C ATOM 850 CD2 PHE A 58 -7.538 -5.918 -11.056 1.00 0.00 C ATOM 851 CE1 PHE A 58 -8.625 -4.696 -8.784 1.00 0.00 C ATOM 852 CE2 PHE A 58 -8.294 -6.672 -10.149 1.00 0.00 C ATOM 853 CZ PHE A 58 -8.837 -6.061 -9.014 1.00 0.00 C ATOM 0 H PHE A 58 -8.700 -2.238 -11.269 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.863 -2.622 -13.614 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.812 -4.385 -12.335 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.917 -2.998 -11.269 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.707 -2.890 -9.512 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.119 -6.389 -11.933 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.044 -4.225 -7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.457 -7.725 -10.326 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.420 -6.642 -8.315 1.00 0.00 H new ATOM 863 N LYS A 59 -7.958 -4.978 -14.166 1.00 0.00 N ATOM 864 CA LYS A 59 -8.858 -6.007 -14.755 1.00 0.00 C ATOM 865 C LYS A 59 -8.011 -7.074 -15.454 1.00 0.00 C ATOM 866 O LYS A 59 -7.585 -6.902 -16.579 1.00 0.00 O ATOM 867 CB LYS A 59 -9.790 -5.348 -15.775 1.00 0.00 C ATOM 868 CG LYS A 59 -10.730 -6.402 -16.365 1.00 0.00 C ATOM 869 CD LYS A 59 -11.765 -5.720 -17.262 1.00 0.00 C ATOM 870 CE LYS A 59 -11.202 -5.580 -18.677 1.00 0.00 C ATOM 871 NZ LYS A 59 -11.655 -4.289 -19.267 1.00 0.00 N ATOM 0 H LYS A 59 -6.979 -5.052 -14.442 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.453 -6.468 -13.967 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.368 -4.557 -15.297 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.206 -4.881 -16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.160 -7.132 -16.940 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.230 -6.947 -15.565 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.685 -6.304 -17.282 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.018 -4.738 -16.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.113 -5.618 -18.652 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.536 -6.412 -19.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.272 -4.194 -20.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.694 -4.270 -19.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.315 -3.501 -18.680 1.00 0.00 H new ATOM 885 N THR A 60 -7.756 -8.171 -14.794 1.00 0.00 N ATOM 886 CA THR A 60 -6.929 -9.239 -15.422 1.00 0.00 C ATOM 887 C THR A 60 -7.545 -10.609 -15.134 1.00 0.00 C ATOM 888 O THR A 60 -7.913 -10.914 -14.016 1.00 0.00 O ATOM 889 CB THR A 60 -5.512 -9.188 -14.847 1.00 0.00 C ATOM 890 OG1 THR A 60 -4.761 -10.284 -15.348 1.00 0.00 O ATOM 891 CG2 THR A 60 -5.578 -9.268 -13.321 1.00 0.00 C ATOM 0 H THR A 60 -8.084 -8.373 -13.850 1.00 0.00 H new ATOM 0 HA THR A 60 -6.894 -9.080 -16.500 1.00 0.00 H new ATOM 0 HB THR A 60 -5.032 -8.254 -15.140 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.852 -10.252 -14.982 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.569 -9.232 -12.911 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.156 -8.427 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.056 -10.202 -13.026 1.00 0.00 H new ATOM 899 N TYR A 61 -7.651 -11.442 -16.133 1.00 0.00 N ATOM 900 CA TYR A 61 -8.233 -12.797 -15.921 1.00 0.00 C ATOM 901 C TYR A 61 -7.629 -13.771 -16.934 1.00 0.00 C ATOM 902 O TYR A 61 -7.352 -13.414 -18.062 1.00 0.00 O ATOM 903 CB TYR A 61 -9.751 -12.741 -16.105 1.00 0.00 C ATOM 904 CG TYR A 61 -10.370 -13.997 -15.539 1.00 0.00 C ATOM 905 CD1 TYR A 61 -10.306 -15.195 -16.259 1.00 0.00 C ATOM 906 CD2 TYR A 61 -11.007 -13.962 -14.292 1.00 0.00 C ATOM 907 CE1 TYR A 61 -10.877 -16.360 -15.732 1.00 0.00 C ATOM 908 CE2 TYR A 61 -11.578 -15.127 -13.765 1.00 0.00 C ATOM 909 CZ TYR A 61 -11.513 -16.326 -14.485 1.00 0.00 C ATOM 910 OH TYR A 61 -12.076 -17.474 -13.966 1.00 0.00 O ATOM 0 H TYR A 61 -7.359 -11.242 -17.089 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.007 -13.135 -14.910 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.157 -11.863 -15.602 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.997 -12.645 -17.163 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.816 -15.221 -17.221 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -11.058 -13.037 -13.737 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.827 -17.285 -16.287 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -12.069 -15.101 -12.803 1.00 0.00 H new ATOM 0 HH TYR A 61 -12.475 -17.277 -13.093 1.00 0.00 H new ATOM 920 N GLY A 62 -7.419 -14.996 -16.540 1.00 0.00 N ATOM 921 CA GLY A 62 -6.827 -15.991 -17.480 1.00 0.00 C ATOM 922 C GLY A 62 -5.489 -16.478 -16.926 1.00 0.00 C ATOM 923 O GLY A 62 -5.156 -17.643 -17.013 1.00 0.00 O ATOM 0 H GLY A 62 -7.631 -15.352 -15.608 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.507 -16.833 -17.612 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.684 -15.540 -18.462 1.00 0.00 H new ATOM 927 N CYS A 63 -4.720 -15.595 -16.350 1.00 0.00 N ATOM 928 CA CYS A 63 -3.405 -16.008 -15.785 1.00 0.00 C ATOM 929 C CYS A 63 -3.608 -16.527 -14.360 1.00 0.00 C ATOM 930 O CYS A 63 -3.586 -15.776 -13.405 1.00 0.00 O ATOM 931 CB CYS A 63 -2.458 -14.805 -15.761 1.00 0.00 C ATOM 932 SG CYS A 63 -0.999 -15.164 -16.772 1.00 0.00 S ATOM 0 H CYS A 63 -4.946 -14.606 -16.246 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.973 -16.795 -16.403 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.968 -13.920 -16.141 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.158 -14.585 -14.736 1.00 0.00 H new ATOM 0 HG CYS A 63 0.064 -15.135 -16.025 1.00 0.00 H new ATOM 937 N GLY A 64 -3.808 -17.808 -14.207 1.00 0.00 N ATOM 938 CA GLY A 64 -4.014 -18.373 -12.843 1.00 0.00 C ATOM 939 C GLY A 64 -2.722 -18.239 -12.036 1.00 0.00 C ATOM 940 O GLY A 64 -2.231 -19.195 -11.469 1.00 0.00 O ATOM 0 H GLY A 64 -3.838 -18.487 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.826 -17.849 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.305 -19.421 -12.912 1.00 0.00 H new ATOM 944 N SER A 65 -2.167 -17.059 -11.978 1.00 0.00 N ATOM 945 CA SER A 65 -0.908 -16.864 -11.207 1.00 0.00 C ATOM 946 C SER A 65 -0.850 -15.426 -10.688 1.00 0.00 C ATOM 947 O SER A 65 -0.163 -15.128 -9.731 1.00 0.00 O ATOM 948 CB SER A 65 0.293 -17.127 -12.117 1.00 0.00 C ATOM 949 OG SER A 65 -0.044 -18.139 -13.058 1.00 0.00 O ATOM 0 H SER A 65 -2.532 -16.222 -12.432 1.00 0.00 H new ATOM 0 HA SER A 65 -0.884 -17.557 -10.366 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.578 -16.212 -12.636 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.153 -17.438 -11.523 1.00 0.00 H new ATOM 0 HG SER A 65 0.723 -18.309 -13.644 1.00 0.00 H new ATOM 955 N ALA A 66 -1.566 -14.533 -11.313 1.00 0.00 N ATOM 956 CA ALA A 66 -1.555 -13.114 -10.858 1.00 0.00 C ATOM 957 C ALA A 66 -2.768 -12.856 -9.962 1.00 0.00 C ATOM 958 O ALA A 66 -2.866 -11.835 -9.312 1.00 0.00 O ATOM 959 CB ALA A 66 -1.615 -12.190 -12.075 1.00 0.00 C ATOM 0 H ALA A 66 -2.159 -14.725 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.641 -12.919 -10.297 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.607 -11.151 -11.744 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.751 -12.374 -12.714 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.529 -12.385 -12.635 1.00 0.00 H new ATOM 965 N ILE A 67 -3.695 -13.774 -9.923 1.00 0.00 N ATOM 966 CA ILE A 67 -4.901 -13.581 -9.069 1.00 0.00 C ATOM 967 C ILE A 67 -4.486 -12.955 -7.736 1.00 0.00 C ATOM 968 O ILE A 67 -5.258 -12.269 -7.094 1.00 0.00 O ATOM 969 CB ILE A 67 -5.566 -14.934 -8.811 1.00 0.00 C ATOM 970 CG1 ILE A 67 -5.832 -15.633 -10.149 1.00 0.00 C ATOM 971 CG2 ILE A 67 -6.888 -14.720 -8.070 1.00 0.00 C ATOM 972 CD1 ILE A 67 -7.203 -15.214 -10.689 1.00 0.00 C ATOM 0 H ILE A 67 -3.669 -14.649 -10.446 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.604 -12.922 -9.578 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.908 -15.555 -8.202 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.053 -15.374 -10.866 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.797 -16.715 -10.018 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.362 -15.684 -7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.696 -14.223 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.549 -14.101 -8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.388 -15.713 -11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.977 -15.496 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.221 -14.134 -10.837 1.00 0.00 H new ATOM 984 N ALA A 68 -3.272 -13.183 -7.315 1.00 0.00 N ATOM 985 CA ALA A 68 -2.808 -12.599 -6.025 1.00 0.00 C ATOM 986 C ALA A 68 -2.024 -11.314 -6.304 1.00 0.00 C ATOM 987 O ALA A 68 -2.040 -10.384 -5.524 1.00 0.00 O ATOM 988 CB ALA A 68 -1.909 -13.606 -5.303 1.00 0.00 C ATOM 0 H ALA A 68 -2.581 -13.749 -7.809 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.668 -12.369 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.569 -13.179 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.470 -14.520 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.046 -13.837 -5.928 1.00 0.00 H new ATOM 994 N SER A 69 -1.340 -11.258 -7.413 1.00 0.00 N ATOM 995 CA SER A 69 -0.557 -10.034 -7.744 1.00 0.00 C ATOM 996 C SER A 69 -1.516 -8.869 -7.989 1.00 0.00 C ATOM 997 O SER A 69 -1.405 -7.822 -7.382 1.00 0.00 O ATOM 998 CB SER A 69 0.272 -10.286 -9.005 1.00 0.00 C ATOM 999 OG SER A 69 1.416 -9.443 -8.991 1.00 0.00 O ATOM 0 H SER A 69 -1.289 -12.006 -8.104 1.00 0.00 H new ATOM 0 HA SER A 69 0.107 -9.790 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.577 -11.331 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.328 -10.090 -9.894 1.00 0.00 H new ATOM 0 HG SER A 69 1.950 -9.603 -9.797 1.00 0.00 H new ATOM 1005 N SER A 70 -2.460 -9.042 -8.874 1.00 0.00 N ATOM 1006 CA SER A 70 -3.428 -7.945 -9.157 1.00 0.00 C ATOM 1007 C SER A 70 -3.762 -7.211 -7.857 1.00 0.00 C ATOM 1008 O SER A 70 -3.677 -6.002 -7.775 1.00 0.00 O ATOM 1009 CB SER A 70 -4.706 -8.537 -9.750 1.00 0.00 C ATOM 1010 OG SER A 70 -5.720 -8.554 -8.754 1.00 0.00 O ATOM 0 H SER A 70 -2.602 -9.896 -9.413 1.00 0.00 H new ATOM 0 HA SER A 70 -2.987 -7.244 -9.866 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.031 -7.946 -10.607 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.519 -9.548 -10.112 1.00 0.00 H new ATOM 0 HG SER A 70 -6.493 -8.039 -9.066 1.00 0.00 H new ATOM 1016 N SER A 71 -4.144 -7.934 -6.840 1.00 0.00 N ATOM 1017 CA SER A 71 -4.484 -7.280 -5.545 1.00 0.00 C ATOM 1018 C SER A 71 -3.249 -6.564 -4.994 1.00 0.00 C ATOM 1019 O SER A 71 -3.290 -5.395 -4.670 1.00 0.00 O ATOM 1020 CB SER A 71 -4.947 -8.341 -4.547 1.00 0.00 C ATOM 1021 OG SER A 71 -4.906 -7.799 -3.233 1.00 0.00 O ATOM 0 H SER A 71 -4.235 -8.950 -6.850 1.00 0.00 H new ATOM 0 HA SER A 71 -5.282 -6.555 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.959 -8.666 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.306 -9.221 -4.610 1.00 0.00 H new ATOM 0 HG SER A 71 -5.204 -8.476 -2.590 1.00 0.00 H new ATOM 1027 N LEU A 72 -2.150 -7.259 -4.884 1.00 0.00 N ATOM 1028 CA LEU A 72 -0.914 -6.620 -4.353 1.00 0.00 C ATOM 1029 C LEU A 72 -0.703 -5.267 -5.036 1.00 0.00 C ATOM 1030 O LEU A 72 -0.957 -4.225 -4.464 1.00 0.00 O ATOM 1031 CB LEU A 72 0.288 -7.525 -4.634 1.00 0.00 C ATOM 1032 CG LEU A 72 1.552 -6.892 -4.049 1.00 0.00 C ATOM 1033 CD1 LEU A 72 1.478 -6.920 -2.522 1.00 0.00 C ATOM 1034 CD2 LEU A 72 2.779 -7.680 -4.514 1.00 0.00 C ATOM 0 H LEU A 72 -2.055 -8.242 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.016 -6.472 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.125 -8.510 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.405 -7.669 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 72 1.632 -5.860 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.379 -6.469 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.604 -6.359 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.398 -7.952 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.680 -7.230 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.699 -8.712 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.833 -7.660 -5.602 1.00 0.00 H new ATOM 1046 N ILE A 73 -0.237 -5.274 -6.256 1.00 0.00 N ATOM 1047 CA ILE A 73 -0.005 -3.990 -6.975 1.00 0.00 C ATOM 1048 C ILE A 73 -1.189 -3.046 -6.747 1.00 0.00 C ATOM 1049 O ILE A 73 -1.049 -1.993 -6.156 1.00 0.00 O ATOM 1050 CB ILE A 73 0.146 -4.267 -8.472 1.00 0.00 C ATOM 1051 CG1 ILE A 73 0.264 -2.939 -9.226 1.00 0.00 C ATOM 1052 CG2 ILE A 73 -1.080 -5.031 -8.976 1.00 0.00 C ATOM 1053 CD1 ILE A 73 0.796 -3.194 -10.639 1.00 0.00 C ATOM 0 H ILE A 73 -0.007 -6.115 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 73 0.904 -3.523 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 73 1.042 -4.864 -8.643 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.709 -2.450 -9.276 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.933 -2.264 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.973 -5.228 -10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.166 -5.976 -8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.976 -4.434 -8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.879 -2.247 -11.173 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.778 -3.664 -10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.111 -3.853 -11.172 1.00 0.00 H new ATOM 1065 N THR A 74 -2.353 -3.411 -7.215 1.00 0.00 N ATOM 1066 CA THR A 74 -3.541 -2.529 -7.026 1.00 0.00 C ATOM 1067 C THR A 74 -3.448 -1.826 -5.670 1.00 0.00 C ATOM 1068 O THR A 74 -3.919 -0.719 -5.503 1.00 0.00 O ATOM 1069 CB THR A 74 -4.816 -3.373 -7.076 1.00 0.00 C ATOM 1070 OG1 THR A 74 -4.650 -4.525 -6.264 1.00 0.00 O ATOM 1071 CG2 THR A 74 -5.096 -3.796 -8.518 1.00 0.00 C ATOM 0 H THR A 74 -2.532 -4.280 -7.719 1.00 0.00 H new ATOM 0 HA THR A 74 -3.567 -1.782 -7.820 1.00 0.00 H new ATOM 0 HB THR A 74 -5.656 -2.785 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.875 -4.402 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.005 -4.397 -8.551 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.225 -2.909 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.258 -4.384 -8.894 1.00 0.00 H new ATOM 1079 N GLU A 75 -2.845 -2.458 -4.703 1.00 0.00 N ATOM 1080 CA GLU A 75 -2.723 -1.822 -3.360 1.00 0.00 C ATOM 1081 C GLU A 75 -1.508 -0.892 -3.345 1.00 0.00 C ATOM 1082 O GLU A 75 -1.501 0.122 -2.677 1.00 0.00 O ATOM 1083 CB GLU A 75 -2.553 -2.908 -2.294 1.00 0.00 C ATOM 1084 CG GLU A 75 -3.798 -2.954 -1.406 1.00 0.00 C ATOM 1085 CD GLU A 75 -3.719 -4.166 -0.476 1.00 0.00 C ATOM 1086 OE1 GLU A 75 -2.674 -4.796 -0.443 1.00 0.00 O ATOM 1087 OE2 GLU A 75 -4.703 -4.443 0.189 1.00 0.00 O ATOM 0 H GLU A 75 -2.431 -3.387 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.623 -1.245 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.396 -3.877 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.670 -2.703 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.874 -2.038 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.695 -3.013 -2.022 1.00 0.00 H new ATOM 1094 N TRP A 76 -0.481 -1.230 -4.076 1.00 0.00 N ATOM 1095 CA TRP A 76 0.732 -0.364 -4.103 1.00 0.00 C ATOM 1096 C TRP A 76 0.520 0.786 -5.091 1.00 0.00 C ATOM 1097 O TRP A 76 1.365 1.645 -5.248 1.00 0.00 O ATOM 1098 CB TRP A 76 1.941 -1.193 -4.545 1.00 0.00 C ATOM 1099 CG TRP A 76 2.663 -1.706 -3.342 1.00 0.00 C ATOM 1100 CD1 TRP A 76 2.076 -2.297 -2.276 1.00 0.00 C ATOM 1101 CD2 TRP A 76 4.093 -1.684 -3.062 1.00 0.00 C ATOM 1102 NE1 TRP A 76 3.054 -2.640 -1.361 1.00 0.00 N ATOM 1103 CE2 TRP A 76 4.314 -2.282 -1.799 1.00 0.00 C ATOM 1104 CE3 TRP A 76 5.209 -1.207 -3.774 1.00 0.00 C ATOM 1105 CZ2 TRP A 76 5.595 -2.406 -1.261 1.00 0.00 C ATOM 1106 CZ3 TRP A 76 6.501 -1.330 -3.235 1.00 0.00 C ATOM 1107 CH2 TRP A 76 6.693 -1.928 -1.982 1.00 0.00 C ATOM 0 H TRP A 76 -0.429 -2.068 -4.655 1.00 0.00 H new ATOM 0 HA TRP A 76 0.909 0.040 -3.106 1.00 0.00 H new ATOM 0 HB2 TRP A 76 1.616 -2.025 -5.169 1.00 0.00 H new ATOM 0 HB3 TRP A 76 2.611 -0.583 -5.151 1.00 0.00 H new ATOM 0 HD1 TRP A 76 1.017 -2.472 -2.159 1.00 0.00 H new ATOM 0 HE1 TRP A 76 2.868 -3.101 -0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 76 5.072 -0.744 -4.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.737 -2.868 -0.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 7.351 -0.961 -3.790 1.00 0.00 H new ATOM 0 HH2 TRP A 76 7.689 -2.019 -1.574 1.00 0.00 H new ATOM 1118 N VAL A 77 -0.599 0.807 -5.764 1.00 0.00 N ATOM 1119 CA VAL A 77 -0.855 1.900 -6.744 1.00 0.00 C ATOM 1120 C VAL A 77 -2.236 2.508 -6.491 1.00 0.00 C ATOM 1121 O VAL A 77 -3.057 2.600 -7.383 1.00 0.00 O ATOM 1122 CB VAL A 77 -0.803 1.331 -8.163 1.00 0.00 C ATOM 1123 CG1 VAL A 77 0.507 0.565 -8.358 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -1.984 0.381 -8.373 1.00 0.00 C ATOM 0 H VAL A 77 -1.345 0.116 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.095 2.673 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.858 2.146 -8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.544 0.159 -9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.349 1.240 -8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.562 -0.251 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.949 -0.026 -9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.928 -0.434 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.918 0.925 -8.233 1.00 0.00 H new ATOM 1134 N LYS A 78 -2.500 2.929 -5.285 1.00 0.00 N ATOM 1135 CA LYS A 78 -3.826 3.535 -4.980 1.00 0.00 C ATOM 1136 C LYS A 78 -3.637 4.744 -4.062 1.00 0.00 C ATOM 1137 O LYS A 78 -3.732 4.639 -2.855 1.00 0.00 O ATOM 1138 CB LYS A 78 -4.714 2.501 -4.285 1.00 0.00 C ATOM 1139 CG LYS A 78 -6.162 2.997 -4.275 1.00 0.00 C ATOM 1140 CD LYS A 78 -7.103 1.827 -3.981 1.00 0.00 C ATOM 1141 CE LYS A 78 -7.531 1.172 -5.296 1.00 0.00 C ATOM 1142 NZ LYS A 78 -8.577 0.146 -5.025 1.00 0.00 N ATOM 0 H LYS A 78 -1.854 2.879 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.300 3.854 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.650 1.544 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.368 2.336 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.286 3.775 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.411 3.444 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.604 1.096 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.979 2.179 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.916 1.927 -5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.671 0.710 -5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.867 -0.299 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.194 -0.580 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.401 0.599 -4.580 1.00 0.00 H new ATOM 1156 N GLY A 79 -3.370 5.891 -4.624 1.00 0.00 N ATOM 1157 CA GLY A 79 -3.175 7.105 -3.781 1.00 0.00 C ATOM 1158 C GLY A 79 -1.680 7.407 -3.656 1.00 0.00 C ATOM 1159 O GLY A 79 -1.273 8.263 -2.894 1.00 0.00 O ATOM 0 H GLY A 79 -3.279 6.040 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.692 7.955 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.609 6.948 -2.793 1.00 0.00 H new ATOM 1163 N LYS A 80 -0.858 6.710 -4.393 1.00 0.00 N ATOM 1164 CA LYS A 80 0.609 6.960 -4.311 1.00 0.00 C ATOM 1165 C LYS A 80 1.009 8.016 -5.344 1.00 0.00 C ATOM 1166 O LYS A 80 0.172 8.636 -5.969 1.00 0.00 O ATOM 1167 CB LYS A 80 1.365 5.661 -4.596 1.00 0.00 C ATOM 1168 CG LYS A 80 1.734 4.983 -3.275 1.00 0.00 C ATOM 1169 CD LYS A 80 2.740 5.852 -2.518 1.00 0.00 C ATOM 1170 CE LYS A 80 3.727 4.955 -1.768 1.00 0.00 C ATOM 1171 NZ LYS A 80 4.466 5.767 -0.761 1.00 0.00 N ATOM 0 H LYS A 80 -1.139 5.979 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 80 0.858 7.317 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.749 4.994 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.266 5.871 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.840 4.832 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.160 3.998 -3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.276 6.497 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.219 6.503 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.194 4.141 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.427 4.500 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.138 5.159 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.986 6.528 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.791 6.181 -0.086 1.00 0.00 H new ATOM 1185 N SER A 81 2.284 8.228 -5.525 1.00 0.00 N ATOM 1186 CA SER A 81 2.739 9.244 -6.515 1.00 0.00 C ATOM 1187 C SER A 81 3.228 8.539 -7.783 1.00 0.00 C ATOM 1188 O SER A 81 3.641 7.396 -7.751 1.00 0.00 O ATOM 1189 CB SER A 81 3.883 10.063 -5.916 1.00 0.00 C ATOM 1190 OG SER A 81 3.640 11.446 -6.141 1.00 0.00 O ATOM 0 H SER A 81 3.031 7.741 -5.029 1.00 0.00 H new ATOM 0 HA SER A 81 1.909 9.905 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.966 9.866 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.831 9.770 -6.368 1.00 0.00 H new ATOM 0 HG SER A 81 4.371 11.973 -5.756 1.00 0.00 H new ATOM 1196 N LEU A 82 3.185 9.212 -8.901 1.00 0.00 N ATOM 1197 CA LEU A 82 3.650 8.579 -10.166 1.00 0.00 C ATOM 1198 C LEU A 82 5.159 8.341 -10.091 1.00 0.00 C ATOM 1199 O LEU A 82 5.693 7.472 -10.749 1.00 0.00 O ATOM 1200 CB LEU A 82 3.338 9.504 -11.345 1.00 0.00 C ATOM 1201 CG LEU A 82 1.862 9.372 -11.721 1.00 0.00 C ATOM 1202 CD1 LEU A 82 1.358 10.697 -12.294 1.00 0.00 C ATOM 1203 CD2 LEU A 82 1.701 8.270 -12.771 1.00 0.00 C ATOM 0 H LEU A 82 2.849 10.171 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 82 3.138 7.627 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.566 10.537 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.966 9.247 -12.198 1.00 0.00 H new ATOM 0 HG LEU A 82 1.284 9.118 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.306 10.601 -12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.472 11.483 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.936 10.953 -13.182 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.649 8.175 -13.040 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.281 8.525 -13.658 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.058 7.324 -12.364 1.00 0.00 H new ATOM 1215 N GLU A 83 5.849 9.106 -9.290 1.00 0.00 N ATOM 1216 CA GLU A 83 7.323 8.922 -9.173 1.00 0.00 C ATOM 1217 C GLU A 83 7.620 7.499 -8.695 1.00 0.00 C ATOM 1218 O GLU A 83 8.656 6.938 -8.995 1.00 0.00 O ATOM 1219 CB GLU A 83 7.885 9.930 -8.166 1.00 0.00 C ATOM 1220 CG GLU A 83 9.047 10.696 -8.804 1.00 0.00 C ATOM 1221 CD GLU A 83 9.921 11.305 -7.706 1.00 0.00 C ATOM 1222 OE1 GLU A 83 9.388 12.036 -6.888 1.00 0.00 O ATOM 1223 OE2 GLU A 83 11.110 11.031 -7.703 1.00 0.00 O ATOM 0 H GLU A 83 5.456 9.849 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 83 7.790 9.084 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.104 10.625 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.225 9.413 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.640 10.026 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.664 11.481 -9.456 1.00 0.00 H new ATOM 1230 N GLU A 84 6.720 6.909 -7.956 1.00 0.00 N ATOM 1231 CA GLU A 84 6.955 5.523 -7.464 1.00 0.00 C ATOM 1232 C GLU A 84 6.377 4.521 -8.466 1.00 0.00 C ATOM 1233 O GLU A 84 7.059 3.626 -8.925 1.00 0.00 O ATOM 1234 CB GLU A 84 6.276 5.338 -6.106 1.00 0.00 C ATOM 1235 CG GLU A 84 6.918 4.159 -5.370 1.00 0.00 C ATOM 1236 CD GLU A 84 8.039 4.672 -4.465 1.00 0.00 C ATOM 1237 OE1 GLU A 84 8.944 5.309 -4.978 1.00 0.00 O ATOM 1238 OE2 GLU A 84 7.975 4.417 -3.273 1.00 0.00 O ATOM 0 H GLU A 84 5.834 7.327 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 84 8.026 5.354 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.373 6.247 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.210 5.158 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.168 3.635 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.315 3.441 -6.088 1.00 0.00 H new ATOM 1245 N ALA A 85 5.126 4.664 -8.812 1.00 0.00 N ATOM 1246 CA ALA A 85 4.514 3.718 -9.787 1.00 0.00 C ATOM 1247 C ALA A 85 5.369 3.681 -11.053 1.00 0.00 C ATOM 1248 O ALA A 85 5.381 2.706 -11.779 1.00 0.00 O ATOM 1249 CB ALA A 85 3.100 4.187 -10.137 1.00 0.00 C ATOM 0 H ALA A 85 4.504 5.393 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 85 4.464 2.721 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.653 3.494 -10.850 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.493 4.218 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.146 5.183 -10.578 1.00 0.00 H new ATOM 1255 N GLY A 86 6.088 4.736 -11.323 1.00 0.00 N ATOM 1256 CA GLY A 86 6.947 4.764 -12.539 1.00 0.00 C ATOM 1257 C GLY A 86 8.396 4.480 -12.143 1.00 0.00 C ATOM 1258 O GLY A 86 9.318 5.094 -12.642 1.00 0.00 O ATOM 0 H GLY A 86 6.117 5.581 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.603 4.021 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.875 5.736 -13.026 1.00 0.00 H new ATOM 1262 N ALA A 87 8.604 3.552 -11.250 1.00 0.00 N ATOM 1263 CA ALA A 87 9.992 3.226 -10.820 1.00 0.00 C ATOM 1264 C ALA A 87 10.045 1.760 -10.398 1.00 0.00 C ATOM 1265 O ALA A 87 11.006 1.061 -10.653 1.00 0.00 O ATOM 1266 CB ALA A 87 10.386 4.114 -9.640 1.00 0.00 C ATOM 0 H ALA A 87 7.871 3.005 -10.799 1.00 0.00 H new ATOM 0 HA ALA A 87 10.685 3.400 -11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.402 3.874 -9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.337 5.161 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.701 3.942 -8.810 1.00 0.00 H new ATOM 1272 N ILE A 88 9.011 1.290 -9.758 1.00 0.00 N ATOM 1273 CA ILE A 88 8.987 -0.131 -9.321 1.00 0.00 C ATOM 1274 C ILE A 88 9.568 -1.011 -10.430 1.00 0.00 C ATOM 1275 O ILE A 88 9.620 -0.623 -11.580 1.00 0.00 O ATOM 1276 CB ILE A 88 7.542 -0.546 -9.043 1.00 0.00 C ATOM 1277 CG1 ILE A 88 6.644 -0.061 -10.182 1.00 0.00 C ATOM 1278 CG2 ILE A 88 7.072 0.076 -7.724 1.00 0.00 C ATOM 1279 CD1 ILE A 88 5.179 -0.307 -9.816 1.00 0.00 C ATOM 0 H ILE A 88 8.180 1.831 -9.519 1.00 0.00 H new ATOM 0 HA ILE A 88 9.582 -0.249 -8.415 1.00 0.00 H new ATOM 0 HB ILE A 88 7.486 -1.632 -8.971 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.811 1.001 -10.364 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.893 -0.586 -11.104 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.042 -0.221 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.710 -0.270 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.129 1.162 -7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.538 0.038 -10.627 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.018 -1.373 -9.655 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.935 0.238 -8.904 1.00 0.00 H new ATOM 1291 N LYS A 89 10.008 -2.193 -10.094 1.00 0.00 N ATOM 1292 CA LYS A 89 10.587 -3.093 -11.130 1.00 0.00 C ATOM 1293 C LYS A 89 9.957 -4.481 -11.011 1.00 0.00 C ATOM 1294 O LYS A 89 9.373 -4.825 -10.002 1.00 0.00 O ATOM 1295 CB LYS A 89 12.099 -3.201 -10.923 1.00 0.00 C ATOM 1296 CG LYS A 89 12.572 -2.069 -10.008 1.00 0.00 C ATOM 1297 CD LYS A 89 14.101 -2.056 -9.957 1.00 0.00 C ATOM 1298 CE LYS A 89 14.591 -0.637 -9.661 1.00 0.00 C ATOM 1299 NZ LYS A 89 15.060 0.000 -10.924 1.00 0.00 N ATOM 0 H LYS A 89 9.991 -2.574 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 89 10.383 -2.685 -12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.348 -4.167 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.613 -3.146 -11.883 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.202 -1.112 -10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.166 -2.204 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.455 -2.742 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.510 -2.403 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.787 -0.048 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.401 -0.665 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.393 0.965 -10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.839 -0.559 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.275 0.040 -11.605 1.00 0.00 H new ATOM 1313 N ASN A 90 10.070 -5.285 -12.033 1.00 0.00 N ATOM 1314 CA ASN A 90 9.479 -6.650 -11.977 1.00 0.00 C ATOM 1315 C ASN A 90 10.264 -7.504 -10.978 1.00 0.00 C ATOM 1316 O ASN A 90 9.752 -8.455 -10.422 1.00 0.00 O ATOM 1317 CB ASN A 90 9.549 -7.293 -13.363 1.00 0.00 C ATOM 1318 CG ASN A 90 10.995 -7.684 -13.670 1.00 0.00 C ATOM 1319 OD1 ASN A 90 11.462 -8.817 -13.220 1.00 0.00 O flip ATOM 1320 ND2 ASN A 90 11.709 -6.952 -14.327 1.00 0.00 N flip ATOM 0 H ASN A 90 10.547 -5.054 -12.905 1.00 0.00 H new ATOM 0 HA ASN A 90 8.438 -6.583 -11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.907 -8.173 -13.400 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.181 -6.598 -14.117 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.345 -6.067 -14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.672 -7.223 -14.526 1.00 0.00 H new ATOM 1327 N SER A 91 11.505 -7.171 -10.749 1.00 0.00 N ATOM 1328 CA SER A 91 12.326 -7.962 -9.789 1.00 0.00 C ATOM 1329 C SER A 91 11.762 -7.798 -8.374 1.00 0.00 C ATOM 1330 O SER A 91 11.248 -8.729 -7.788 1.00 0.00 O ATOM 1331 CB SER A 91 13.769 -7.459 -9.822 1.00 0.00 C ATOM 1332 OG SER A 91 13.808 -6.184 -10.450 1.00 0.00 O ATOM 0 H SER A 91 11.986 -6.385 -11.186 1.00 0.00 H new ATOM 0 HA SER A 91 12.299 -9.015 -10.070 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.166 -7.390 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.400 -8.164 -10.364 1.00 0.00 H new ATOM 0 HG SER A 91 14.732 -5.858 -10.471 1.00 0.00 H new ATOM 1338 N GLN A 92 11.860 -6.620 -7.821 1.00 0.00 N ATOM 1339 CA GLN A 92 11.333 -6.396 -6.445 1.00 0.00 C ATOM 1340 C GLN A 92 10.014 -7.154 -6.269 1.00 0.00 C ATOM 1341 O GLN A 92 9.891 -8.018 -5.425 1.00 0.00 O ATOM 1342 CB GLN A 92 11.095 -4.900 -6.229 1.00 0.00 C ATOM 1343 CG GLN A 92 12.428 -4.207 -5.937 1.00 0.00 C ATOM 1344 CD GLN A 92 12.701 -4.240 -4.432 1.00 0.00 C ATOM 1345 OE1 GLN A 92 12.359 -5.193 -3.761 1.00 0.00 O ATOM 1346 NE2 GLN A 92 13.308 -3.231 -3.871 1.00 0.00 N ATOM 0 H GLN A 92 12.282 -5.803 -8.262 1.00 0.00 H new ATOM 0 HA GLN A 92 12.058 -6.759 -5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.632 -4.463 -7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.404 -4.747 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.235 -4.705 -6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.399 -3.176 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.595 -2.431 -4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.496 -3.242 -2.868 1.00 0.00 H new ATOM 1355 N ILE A 93 9.026 -6.834 -7.060 1.00 0.00 N ATOM 1356 CA ILE A 93 7.717 -7.534 -6.936 1.00 0.00 C ATOM 1357 C ILE A 93 7.925 -9.043 -7.082 1.00 0.00 C ATOM 1358 O ILE A 93 7.186 -9.837 -6.534 1.00 0.00 O ATOM 1359 CB ILE A 93 6.768 -7.039 -8.028 1.00 0.00 C ATOM 1360 CG1 ILE A 93 6.341 -5.602 -7.715 1.00 0.00 C ATOM 1361 CG2 ILE A 93 5.531 -7.939 -8.077 1.00 0.00 C ATOM 1362 CD1 ILE A 93 5.409 -5.093 -8.817 1.00 0.00 C ATOM 0 H ILE A 93 9.069 -6.119 -7.786 1.00 0.00 H new ATOM 0 HA ILE A 93 7.285 -7.323 -5.958 1.00 0.00 H new ATOM 0 HB ILE A 93 7.275 -7.068 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.835 -5.564 -6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.218 -4.959 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.855 -7.586 -8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.834 -8.963 -8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 93 5.022 -7.910 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.106 -4.070 -8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.931 -5.116 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.526 -5.730 -8.870 1.00 0.00 H new ATOM 1374 N ALA A 94 8.928 -9.448 -7.812 1.00 0.00 N ATOM 1375 CA ALA A 94 9.178 -10.908 -7.983 1.00 0.00 C ATOM 1376 C ALA A 94 9.846 -11.455 -6.720 1.00 0.00 C ATOM 1377 O ALA A 94 9.902 -12.648 -6.503 1.00 0.00 O ATOM 1378 CB ALA A 94 10.096 -11.135 -9.185 1.00 0.00 C ATOM 0 H ALA A 94 9.583 -8.834 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 94 8.232 -11.423 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.277 -12.203 -9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.622 -10.742 -10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.044 -10.623 -9.021 1.00 0.00 H new ATOM 1384 N GLU A 95 10.353 -10.588 -5.886 1.00 0.00 N ATOM 1385 CA GLU A 95 11.017 -11.054 -4.637 1.00 0.00 C ATOM 1386 C GLU A 95 10.009 -11.033 -3.486 1.00 0.00 C ATOM 1387 O GLU A 95 10.202 -11.666 -2.467 1.00 0.00 O ATOM 1388 CB GLU A 95 12.185 -10.123 -4.307 1.00 0.00 C ATOM 1389 CG GLU A 95 13.400 -10.953 -3.884 1.00 0.00 C ATOM 1390 CD GLU A 95 14.620 -10.041 -3.753 1.00 0.00 C ATOM 1391 OE1 GLU A 95 14.433 -8.874 -3.450 1.00 0.00 O ATOM 1392 OE2 GLU A 95 15.721 -10.525 -3.959 1.00 0.00 O ATOM 0 H GLU A 95 10.336 -9.577 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 95 11.387 -12.070 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.433 -9.513 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.903 -9.439 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.201 -11.451 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.594 -11.734 -4.619 1.00 0.00 H new ATOM 1399 N GLU A 96 8.934 -10.309 -3.640 1.00 0.00 N ATOM 1400 CA GLU A 96 7.914 -10.248 -2.555 1.00 0.00 C ATOM 1401 C GLU A 96 6.902 -11.381 -2.740 1.00 0.00 C ATOM 1402 O GLU A 96 6.446 -11.980 -1.785 1.00 0.00 O ATOM 1403 CB GLU A 96 7.188 -8.902 -2.614 1.00 0.00 C ATOM 1404 CG GLU A 96 7.879 -7.908 -1.678 1.00 0.00 C ATOM 1405 CD GLU A 96 7.308 -6.507 -1.911 1.00 0.00 C ATOM 1406 OE1 GLU A 96 6.700 -6.300 -2.949 1.00 0.00 O ATOM 1407 OE2 GLU A 96 7.489 -5.664 -1.048 1.00 0.00 O ATOM 0 H GLU A 96 8.718 -9.757 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 96 8.406 -10.355 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.191 -8.519 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.145 -9.026 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.730 -8.205 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.954 -7.909 -1.858 1.00 0.00 H new ATOM 1414 N LEU A 97 6.543 -11.676 -3.959 1.00 0.00 N ATOM 1415 CA LEU A 97 5.557 -12.768 -4.203 1.00 0.00 C ATOM 1416 C LEU A 97 6.268 -14.122 -4.147 1.00 0.00 C ATOM 1417 O LEU A 97 5.658 -15.161 -4.306 1.00 0.00 O ATOM 1418 CB LEU A 97 4.920 -12.581 -5.582 1.00 0.00 C ATOM 1419 CG LEU A 97 3.402 -12.460 -5.433 1.00 0.00 C ATOM 1420 CD1 LEU A 97 3.048 -11.081 -4.872 1.00 0.00 C ATOM 1421 CD2 LEU A 97 2.741 -12.637 -6.801 1.00 0.00 C ATOM 0 H LEU A 97 6.889 -11.209 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 97 4.782 -12.735 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.321 -11.688 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.166 -13.426 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 97 3.043 -13.231 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.966 -10.998 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.518 -10.953 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.407 -10.308 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.659 -12.551 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.102 -11.866 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.990 -13.620 -7.201 1.00 0.00 H new ATOM 1433 N GLU A 98 7.553 -14.121 -3.925 1.00 0.00 N ATOM 1434 CA GLU A 98 8.298 -15.410 -3.860 1.00 0.00 C ATOM 1435 C GLU A 98 7.722 -16.382 -4.893 1.00 0.00 C ATOM 1436 O GLU A 98 7.819 -17.584 -4.751 1.00 0.00 O ATOM 1437 CB GLU A 98 8.154 -16.011 -2.459 1.00 0.00 C ATOM 1438 CG GLU A 98 9.537 -16.174 -1.826 1.00 0.00 C ATOM 1439 CD GLU A 98 9.384 -16.651 -0.380 1.00 0.00 C ATOM 1440 OE1 GLU A 98 8.655 -17.604 -0.165 1.00 0.00 O ATOM 1441 OE2 GLU A 98 9.999 -16.053 0.489 1.00 0.00 O ATOM 0 H GLU A 98 8.119 -13.284 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 98 9.352 -15.233 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.532 -15.366 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.653 -16.977 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.127 -16.891 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.075 -15.226 -1.852 1.00 0.00 H new ATOM 1448 N LEU A 99 7.121 -15.869 -5.932 1.00 0.00 N ATOM 1449 CA LEU A 99 6.538 -16.763 -6.972 1.00 0.00 C ATOM 1450 C LEU A 99 7.653 -17.579 -7.629 1.00 0.00 C ATOM 1451 O LEU A 99 8.777 -17.132 -7.739 1.00 0.00 O ATOM 1452 CB LEU A 99 5.828 -15.917 -8.033 1.00 0.00 C ATOM 1453 CG LEU A 99 6.865 -15.210 -8.910 1.00 0.00 C ATOM 1454 CD1 LEU A 99 6.147 -14.329 -9.935 1.00 0.00 C ATOM 1455 CD2 LEU A 99 7.765 -14.337 -8.034 1.00 0.00 C ATOM 0 H LEU A 99 7.009 -14.870 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 99 5.820 -17.440 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.189 -16.550 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.182 -15.182 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 99 7.471 -15.954 -9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.883 -13.825 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.503 -14.948 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.542 -13.586 -9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.503 -13.834 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.159 -13.593 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.275 -14.961 -7.301 1.00 0.00 H new ATOM 1467 N PRO A 100 7.339 -18.769 -8.066 1.00 0.00 N ATOM 1468 CA PRO A 100 8.325 -19.669 -8.730 1.00 0.00 C ATOM 1469 C PRO A 100 8.778 -19.120 -10.087 1.00 0.00 C ATOM 1470 O PRO A 100 8.060 -18.390 -10.741 1.00 0.00 O ATOM 1471 CB PRO A 100 7.565 -20.986 -8.911 1.00 0.00 C ATOM 1472 CG PRO A 100 6.118 -20.629 -8.853 1.00 0.00 C ATOM 1473 CD PRO A 100 6.008 -19.386 -7.972 1.00 0.00 C ATOM 0 HA PRO A 100 9.235 -19.777 -8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.815 -21.454 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.824 -21.698 -8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.728 -20.432 -9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.533 -21.450 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.229 -18.712 -8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.760 -19.646 -6.943 1.00 0.00 H new ATOM 1481 N PRO A 101 9.965 -19.471 -10.500 1.00 0.00 N ATOM 1482 CA PRO A 101 10.538 -19.010 -11.798 1.00 0.00 C ATOM 1483 C PRO A 101 9.819 -19.621 -13.004 1.00 0.00 C ATOM 1484 O PRO A 101 10.295 -19.558 -14.120 1.00 0.00 O ATOM 1485 CB PRO A 101 11.994 -19.482 -11.748 1.00 0.00 C ATOM 1486 CG PRO A 101 12.016 -20.611 -10.770 1.00 0.00 C ATOM 1487 CD PRO A 101 10.891 -20.349 -9.770 1.00 0.00 C ATOM 0 HA PRO A 101 10.435 -17.932 -11.920 1.00 0.00 H new ATOM 0 HB2 PRO A 101 12.335 -19.808 -12.731 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.657 -18.676 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 101 11.869 -21.565 -11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.979 -20.665 -10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.405 -21.275 -9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.265 -19.871 -8.865 1.00 0.00 H new ATOM 1495 N VAL A 102 8.673 -20.209 -12.790 1.00 0.00 N ATOM 1496 CA VAL A 102 7.926 -20.818 -13.927 1.00 0.00 C ATOM 1497 C VAL A 102 7.199 -19.718 -14.705 1.00 0.00 C ATOM 1498 O VAL A 102 6.120 -19.297 -14.339 1.00 0.00 O ATOM 1499 CB VAL A 102 6.907 -21.824 -13.387 1.00 0.00 C ATOM 1500 CG1 VAL A 102 5.962 -21.121 -12.412 1.00 0.00 C ATOM 1501 CG2 VAL A 102 6.101 -22.405 -14.550 1.00 0.00 C ATOM 0 H VAL A 102 8.223 -20.294 -11.879 1.00 0.00 H new ATOM 0 HA VAL A 102 8.624 -21.330 -14.590 1.00 0.00 H new ATOM 0 HB VAL A 102 7.429 -22.628 -12.869 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.236 -21.838 -12.028 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.536 -20.707 -11.584 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.439 -20.317 -12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.375 -23.122 -14.167 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.579 -21.601 -15.068 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.775 -22.907 -15.245 1.00 0.00 H new ATOM 1511 N LYS A 103 7.786 -19.249 -15.772 1.00 0.00 N ATOM 1512 CA LYS A 103 7.138 -18.173 -16.574 1.00 0.00 C ATOM 1513 C LYS A 103 7.100 -16.886 -15.751 1.00 0.00 C ATOM 1514 O LYS A 103 6.049 -16.331 -15.496 1.00 0.00 O ATOM 1515 CB LYS A 103 5.711 -18.587 -16.943 1.00 0.00 C ATOM 1516 CG LYS A 103 5.700 -20.050 -17.390 1.00 0.00 C ATOM 1517 CD LYS A 103 4.997 -20.166 -18.745 1.00 0.00 C ATOM 1518 CE LYS A 103 4.512 -21.601 -18.948 1.00 0.00 C ATOM 1519 NZ LYS A 103 5.546 -22.551 -18.449 1.00 0.00 N ATOM 0 H LYS A 103 8.689 -19.566 -16.124 1.00 0.00 H new ATOM 0 HA LYS A 103 7.709 -18.009 -17.488 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.050 -18.453 -16.087 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.332 -17.949 -17.742 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.720 -20.426 -17.465 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.188 -20.664 -16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 103 4.154 -19.477 -18.789 1.00 0.00 H new ATOM 0 HD3 LYS A 103 5.681 -19.885 -19.546 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.573 -21.757 -18.417 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.315 -21.783 -20.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.413 -23.478 -18.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.492 -22.186 -18.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.455 -22.653 -17.418 1.00 0.00 H new ATOM 1533 N VAL A 104 8.239 -16.408 -15.334 1.00 0.00 N ATOM 1534 CA VAL A 104 8.270 -15.156 -14.527 1.00 0.00 C ATOM 1535 C VAL A 104 7.624 -14.024 -15.327 1.00 0.00 C ATOM 1536 O VAL A 104 7.545 -12.898 -14.877 1.00 0.00 O ATOM 1537 CB VAL A 104 9.719 -14.791 -14.205 1.00 0.00 C ATOM 1538 CG1 VAL A 104 10.347 -14.080 -15.405 1.00 0.00 C ATOM 1539 CG2 VAL A 104 9.751 -13.861 -12.990 1.00 0.00 C ATOM 0 H VAL A 104 9.150 -16.830 -15.517 1.00 0.00 H new ATOM 0 HA VAL A 104 7.721 -15.307 -13.598 1.00 0.00 H new ATOM 0 HB VAL A 104 10.281 -15.699 -13.986 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.380 -13.820 -15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.324 -14.740 -16.272 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.785 -13.172 -15.625 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.784 -13.600 -12.759 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.188 -12.954 -13.211 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.304 -14.366 -12.134 1.00 0.00 H new ATOM 1549 N HIS A 105 7.162 -14.313 -16.514 1.00 0.00 N ATOM 1550 CA HIS A 105 6.524 -13.255 -17.344 1.00 0.00 C ATOM 1551 C HIS A 105 5.404 -12.585 -16.542 1.00 0.00 C ATOM 1552 O HIS A 105 5.370 -11.381 -16.396 1.00 0.00 O ATOM 1553 CB HIS A 105 5.960 -13.889 -18.628 1.00 0.00 C ATOM 1554 CG HIS A 105 4.454 -13.833 -18.629 1.00 0.00 C ATOM 1555 ND1 HIS A 105 3.761 -12.636 -18.541 1.00 0.00 N ATOM 1556 CD2 HIS A 105 3.498 -14.816 -18.697 1.00 0.00 C ATOM 1557 CE1 HIS A 105 2.447 -12.925 -18.559 1.00 0.00 C ATOM 1558 NE2 HIS A 105 2.232 -14.240 -18.653 1.00 0.00 N ATOM 0 H HIS A 105 7.200 -15.237 -16.944 1.00 0.00 H new ATOM 0 HA HIS A 105 7.261 -12.500 -17.616 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.350 -13.365 -19.501 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.291 -14.925 -18.705 1.00 0.00 H new ATOM 0 HD1 HIS A 105 4.172 -11.705 -18.475 1.00 0.00 H new ATOM 0 HD2 HIS A 105 3.698 -15.875 -18.773 1.00 0.00 H new ATOM 0 HE1 HIS A 105 1.663 -12.185 -18.504 1.00 0.00 H new ATOM 1566 N CYS A 106 4.486 -13.360 -16.028 1.00 0.00 N ATOM 1567 CA CYS A 106 3.360 -12.780 -15.240 1.00 0.00 C ATOM 1568 C CYS A 106 3.822 -11.508 -14.523 1.00 0.00 C ATOM 1569 O CYS A 106 3.278 -10.440 -14.723 1.00 0.00 O ATOM 1570 CB CYS A 106 2.883 -13.805 -14.210 1.00 0.00 C ATOM 1571 SG CYS A 106 2.193 -15.244 -15.067 1.00 0.00 S ATOM 0 H CYS A 106 4.468 -14.376 -16.121 1.00 0.00 H new ATOM 0 HA CYS A 106 2.541 -12.529 -15.914 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.713 -14.111 -13.574 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.130 -13.360 -13.560 1.00 0.00 H new ATOM 0 HG CYS A 106 2.173 -15.018 -16.347 1.00 0.00 H new ATOM 1576 N SER A 107 4.822 -11.608 -13.690 1.00 0.00 N ATOM 1577 CA SER A 107 5.310 -10.399 -12.967 1.00 0.00 C ATOM 1578 C SER A 107 5.748 -9.339 -13.981 1.00 0.00 C ATOM 1579 O SER A 107 5.270 -8.222 -13.970 1.00 0.00 O ATOM 1580 CB SER A 107 6.498 -10.779 -12.079 1.00 0.00 C ATOM 1581 OG SER A 107 6.122 -10.654 -10.714 1.00 0.00 O ATOM 0 H SER A 107 5.321 -12.472 -13.479 1.00 0.00 H new ATOM 0 HA SER A 107 4.508 -9.998 -12.347 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.812 -11.801 -12.290 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.349 -10.133 -12.294 1.00 0.00 H new ATOM 0 HG SER A 107 6.880 -10.898 -10.142 1.00 0.00 H new ATOM 1587 N ILE A 108 6.653 -9.680 -14.857 1.00 0.00 N ATOM 1588 CA ILE A 108 7.117 -8.690 -15.870 1.00 0.00 C ATOM 1589 C ILE A 108 5.906 -7.969 -16.467 1.00 0.00 C ATOM 1590 O ILE A 108 5.852 -6.756 -16.510 1.00 0.00 O ATOM 1591 CB ILE A 108 7.878 -9.416 -16.982 1.00 0.00 C ATOM 1592 CG1 ILE A 108 9.234 -9.885 -16.447 1.00 0.00 C ATOM 1593 CG2 ILE A 108 8.098 -8.462 -18.158 1.00 0.00 C ATOM 1594 CD1 ILE A 108 9.998 -10.617 -17.553 1.00 0.00 C ATOM 0 H ILE A 108 7.091 -10.600 -14.915 1.00 0.00 H new ATOM 0 HA ILE A 108 7.776 -7.963 -15.394 1.00 0.00 H new ATOM 0 HB ILE A 108 7.299 -10.277 -17.316 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.813 -9.031 -16.096 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.090 -10.546 -15.592 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.640 -8.979 -18.950 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.134 -8.125 -18.539 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.677 -7.601 -17.825 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.963 -10.950 -17.170 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.421 -11.481 -17.883 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.155 -9.942 -18.395 1.00 0.00 H new ATOM 1606 N LEU A 109 4.933 -8.708 -16.926 1.00 0.00 N ATOM 1607 CA LEU A 109 3.724 -8.071 -17.517 1.00 0.00 C ATOM 1608 C LEU A 109 3.197 -6.995 -16.565 1.00 0.00 C ATOM 1609 O LEU A 109 2.829 -5.913 -16.979 1.00 0.00 O ATOM 1610 CB LEU A 109 2.644 -9.134 -17.729 1.00 0.00 C ATOM 1611 CG LEU A 109 2.048 -8.988 -19.131 1.00 0.00 C ATOM 1612 CD1 LEU A 109 2.962 -9.671 -20.149 1.00 0.00 C ATOM 1613 CD2 LEU A 109 0.665 -9.645 -19.167 1.00 0.00 C ATOM 0 H LEU A 109 4.924 -9.728 -16.917 1.00 0.00 H new ATOM 0 HA LEU A 109 3.983 -7.616 -18.473 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.070 -10.130 -17.606 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.862 -9.027 -16.977 1.00 0.00 H new ATOM 0 HG LEU A 109 1.956 -7.930 -19.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.537 -9.567 -21.147 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.947 -9.205 -20.124 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.054 -10.729 -19.903 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.239 -9.542 -20.165 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.758 -10.702 -18.920 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.012 -9.159 -18.442 1.00 0.00 H new ATOM 1625 N ALA A 110 3.156 -7.284 -15.294 1.00 0.00 N ATOM 1626 CA ALA A 110 2.651 -6.279 -14.316 1.00 0.00 C ATOM 1627 C ALA A 110 3.474 -4.994 -14.431 1.00 0.00 C ATOM 1628 O ALA A 110 2.963 -3.947 -14.780 1.00 0.00 O ATOM 1629 CB ALA A 110 2.778 -6.841 -12.897 1.00 0.00 C ATOM 0 H ALA A 110 3.450 -8.173 -14.890 1.00 0.00 H new ATOM 0 HA ALA A 110 1.605 -6.059 -14.529 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.409 -6.107 -12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.191 -7.756 -12.814 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.824 -7.061 -12.685 1.00 0.00 H new ATOM 1635 N GLU A 111 4.744 -5.062 -14.141 1.00 0.00 N ATOM 1636 CA GLU A 111 5.596 -3.843 -14.235 1.00 0.00 C ATOM 1637 C GLU A 111 5.431 -3.212 -15.619 1.00 0.00 C ATOM 1638 O GLU A 111 5.367 -2.006 -15.758 1.00 0.00 O ATOM 1639 CB GLU A 111 7.062 -4.226 -14.019 1.00 0.00 C ATOM 1640 CG GLU A 111 7.963 -3.065 -14.447 1.00 0.00 C ATOM 1641 CD GLU A 111 8.621 -3.395 -15.788 1.00 0.00 C ATOM 1642 OE1 GLU A 111 7.898 -3.717 -16.717 1.00 0.00 O ATOM 1643 OE2 GLU A 111 9.837 -3.322 -15.863 1.00 0.00 O ATOM 0 H GLU A 111 5.229 -5.909 -13.843 1.00 0.00 H new ATOM 0 HA GLU A 111 5.292 -3.127 -13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 111 7.235 -4.467 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.304 -5.119 -14.595 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.378 -2.149 -14.533 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.726 -2.885 -13.690 1.00 0.00 H new ATOM 1650 N ASP A 112 5.358 -4.017 -16.644 1.00 0.00 N ATOM 1651 CA ASP A 112 5.193 -3.460 -18.015 1.00 0.00 C ATOM 1652 C ASP A 112 3.843 -2.746 -18.112 1.00 0.00 C ATOM 1653 O ASP A 112 3.658 -1.850 -18.911 1.00 0.00 O ATOM 1654 CB ASP A 112 5.245 -4.595 -19.040 1.00 0.00 C ATOM 1655 CG ASP A 112 6.597 -4.577 -19.755 1.00 0.00 C ATOM 1656 OD1 ASP A 112 7.601 -4.762 -19.087 1.00 0.00 O ATOM 1657 OD2 ASP A 112 6.606 -4.379 -20.959 1.00 0.00 O ATOM 0 H ASP A 112 5.405 -5.034 -16.591 1.00 0.00 H new ATOM 0 HA ASP A 112 5.997 -2.753 -18.219 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.097 -5.554 -18.544 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.438 -4.483 -19.764 1.00 0.00 H new ATOM 1662 N ALA A 113 2.899 -3.135 -17.299 1.00 0.00 N ATOM 1663 CA ALA A 113 1.564 -2.478 -17.340 1.00 0.00 C ATOM 1664 C ALA A 113 1.673 -1.072 -16.750 1.00 0.00 C ATOM 1665 O ALA A 113 1.453 -0.086 -17.426 1.00 0.00 O ATOM 1666 CB ALA A 113 0.566 -3.300 -16.521 1.00 0.00 C ATOM 0 H ALA A 113 2.996 -3.880 -16.609 1.00 0.00 H new ATOM 0 HA ALA A 113 1.220 -2.414 -18.372 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.412 -2.820 -16.550 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.490 -4.303 -16.940 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.908 -3.363 -15.488 1.00 0.00 H new ATOM 1672 N ILE A 114 2.017 -0.970 -15.495 1.00 0.00 N ATOM 1673 CA ILE A 114 2.145 0.376 -14.868 1.00 0.00 C ATOM 1674 C ILE A 114 2.919 1.298 -15.812 1.00 0.00 C ATOM 1675 O ILE A 114 2.632 2.473 -15.924 1.00 0.00 O ATOM 1676 CB ILE A 114 2.896 0.250 -13.538 1.00 0.00 C ATOM 1677 CG1 ILE A 114 2.439 1.360 -12.589 1.00 0.00 C ATOM 1678 CG2 ILE A 114 4.401 0.373 -13.779 1.00 0.00 C ATOM 1679 CD1 ILE A 114 1.241 0.874 -11.771 1.00 0.00 C ATOM 0 H ILE A 114 2.214 -1.758 -14.878 1.00 0.00 H new ATOM 0 HA ILE A 114 1.155 0.792 -14.683 1.00 0.00 H new ATOM 0 HB ILE A 114 2.682 -0.722 -13.094 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.255 1.643 -11.924 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.167 2.250 -13.157 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.930 0.283 -12.830 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.727 -0.419 -14.453 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.620 1.343 -14.226 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.917 1.666 -11.095 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.424 0.613 -12.443 1.00 0.00 H new ATOM 0 HD13 ILE A 114 1.528 -0.003 -11.191 1.00 0.00 H new ATOM 1691 N LYS A 115 3.898 0.770 -16.494 1.00 0.00 N ATOM 1692 CA LYS A 115 4.696 1.608 -17.434 1.00 0.00 C ATOM 1693 C LYS A 115 3.861 1.916 -18.679 1.00 0.00 C ATOM 1694 O LYS A 115 3.946 2.987 -19.246 1.00 0.00 O ATOM 1695 CB LYS A 115 5.957 0.845 -17.844 1.00 0.00 C ATOM 1696 CG LYS A 115 7.177 1.754 -17.692 1.00 0.00 C ATOM 1697 CD LYS A 115 8.338 1.188 -18.513 1.00 0.00 C ATOM 1698 CE LYS A 115 9.612 1.977 -18.210 1.00 0.00 C ATOM 1699 NZ LYS A 115 10.612 1.744 -19.291 1.00 0.00 N ATOM 0 H LYS A 115 4.181 -0.209 -16.441 1.00 0.00 H new ATOM 0 HA LYS A 115 4.975 2.541 -16.944 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.074 -0.044 -17.225 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.870 0.506 -18.876 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.937 2.763 -18.028 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.461 1.827 -16.642 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.485 0.134 -18.275 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.107 1.245 -19.577 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.384 3.040 -18.134 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.022 1.669 -17.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.478 2.281 -19.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.837 0.730 -19.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.219 2.058 -20.201 1.00 0.00 H new ATOM 1713 N ALA A 116 3.055 0.984 -19.109 1.00 0.00 N ATOM 1714 CA ALA A 116 2.217 1.219 -20.318 1.00 0.00 C ATOM 1715 C ALA A 116 1.276 2.400 -20.070 1.00 0.00 C ATOM 1716 O ALA A 116 1.170 3.302 -20.879 1.00 0.00 O ATOM 1717 CB ALA A 116 1.391 -0.034 -20.616 1.00 0.00 C ATOM 0 H ALA A 116 2.941 0.068 -18.674 1.00 0.00 H new ATOM 0 HA ALA A 116 2.863 1.442 -21.167 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.777 0.137 -21.500 1.00 0.00 H new ATOM 0 HB2 ALA A 116 2.059 -0.876 -20.795 1.00 0.00 H new ATOM 0 HB3 ALA A 116 0.747 -0.256 -19.765 1.00 0.00 H new ATOM 1723 N ALA A 117 0.589 2.403 -18.962 1.00 0.00 N ATOM 1724 CA ALA A 117 -0.346 3.525 -18.667 1.00 0.00 C ATOM 1725 C ALA A 117 0.444 4.826 -18.508 1.00 0.00 C ATOM 1726 O ALA A 117 0.011 5.881 -18.928 1.00 0.00 O ATOM 1727 CB ALA A 117 -1.106 3.228 -17.373 1.00 0.00 C ATOM 0 H ALA A 117 0.634 1.677 -18.247 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.054 3.631 -19.489 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.790 4.048 -17.156 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.672 2.304 -17.488 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.398 3.120 -16.552 1.00 0.00 H new ATOM 1733 N ILE A 118 1.598 4.762 -17.905 1.00 0.00 N ATOM 1734 CA ILE A 118 2.412 5.996 -17.717 1.00 0.00 C ATOM 1735 C ILE A 118 2.770 6.588 -19.084 1.00 0.00 C ATOM 1736 O ILE A 118 2.793 7.789 -19.263 1.00 0.00 O ATOM 1737 CB ILE A 118 3.693 5.651 -16.954 1.00 0.00 C ATOM 1738 CG1 ILE A 118 3.421 5.722 -15.449 1.00 0.00 C ATOM 1739 CG2 ILE A 118 4.795 6.647 -17.318 1.00 0.00 C ATOM 1740 CD1 ILE A 118 4.380 4.785 -14.711 1.00 0.00 C ATOM 0 H ILE A 118 2.014 3.908 -17.534 1.00 0.00 H new ATOM 0 HA ILE A 118 1.838 6.727 -17.148 1.00 0.00 H new ATOM 0 HB ILE A 118 4.014 4.644 -17.223 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.549 6.744 -15.094 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.389 5.440 -15.242 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.705 6.398 -16.773 1.00 0.00 H new ATOM 0 HG22 ILE A 118 4.989 6.599 -18.389 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.477 7.655 -17.052 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.186 4.836 -13.640 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.230 3.763 -15.059 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.408 5.088 -14.908 1.00 0.00 H new ATOM 1752 N ALA A 119 3.054 5.755 -20.048 1.00 0.00 N ATOM 1753 CA ALA A 119 3.413 6.273 -21.398 1.00 0.00 C ATOM 1754 C ALA A 119 2.185 6.919 -22.047 1.00 0.00 C ATOM 1755 O ALA A 119 2.280 7.939 -22.697 1.00 0.00 O ATOM 1756 CB ALA A 119 3.904 5.118 -22.275 1.00 0.00 C ATOM 0 H ALA A 119 3.053 4.739 -19.959 1.00 0.00 H new ATOM 0 HA ALA A 119 4.203 7.017 -21.299 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.167 5.497 -23.263 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.781 4.661 -21.817 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.114 4.373 -22.371 1.00 0.00 H new ATOM 1762 N ASP A 120 1.034 6.328 -21.878 1.00 0.00 N ATOM 1763 CA ASP A 120 -0.197 6.907 -22.491 1.00 0.00 C ATOM 1764 C ASP A 120 -0.558 8.219 -21.789 1.00 0.00 C ATOM 1765 O ASP A 120 -0.710 9.247 -22.417 1.00 0.00 O ATOM 1766 CB ASP A 120 -1.354 5.917 -22.345 1.00 0.00 C ATOM 1767 CG ASP A 120 -2.310 6.072 -23.530 1.00 0.00 C ATOM 1768 OD1 ASP A 120 -2.567 7.201 -23.914 1.00 0.00 O ATOM 1769 OD2 ASP A 120 -2.770 5.059 -24.031 1.00 0.00 O ATOM 0 H ASP A 120 0.892 5.471 -21.343 1.00 0.00 H new ATOM 0 HA ASP A 120 -0.014 7.102 -23.548 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -0.971 4.897 -22.304 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -1.885 6.096 -21.410 1.00 0.00 H new ATOM 1774 N TYR A 121 -0.703 8.191 -20.493 1.00 0.00 N ATOM 1775 CA TYR A 121 -1.061 9.436 -19.757 1.00 0.00 C ATOM 1776 C TYR A 121 -0.067 10.546 -20.104 1.00 0.00 C ATOM 1777 O TYR A 121 -0.407 11.712 -20.130 1.00 0.00 O ATOM 1778 CB TYR A 121 -1.017 9.171 -18.251 1.00 0.00 C ATOM 1779 CG TYR A 121 -0.900 10.484 -17.513 1.00 0.00 C ATOM 1780 CD1 TYR A 121 0.354 11.083 -17.345 1.00 0.00 C ATOM 1781 CD2 TYR A 121 -2.046 11.105 -17.000 1.00 0.00 C ATOM 1782 CE1 TYR A 121 0.463 12.301 -16.663 1.00 0.00 C ATOM 1783 CE2 TYR A 121 -1.937 12.323 -16.318 1.00 0.00 C ATOM 1784 CZ TYR A 121 -0.682 12.921 -16.150 1.00 0.00 C ATOM 1785 OH TYR A 121 -0.575 14.121 -15.478 1.00 0.00 O ATOM 0 H TYR A 121 -0.589 7.360 -19.912 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.066 9.746 -20.045 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -1.918 8.644 -17.937 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.171 8.528 -18.008 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.238 10.605 -17.742 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.014 10.644 -17.131 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.431 12.762 -16.533 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.821 12.801 -15.922 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.464 14.414 -15.189 1.00 0.00 H new ATOM 1795 N LYS A 122 1.162 10.195 -20.367 1.00 0.00 N ATOM 1796 CA LYS A 122 2.177 11.231 -20.708 1.00 0.00 C ATOM 1797 C LYS A 122 2.041 11.621 -22.182 1.00 0.00 C ATOM 1798 O LYS A 122 2.321 12.739 -22.565 1.00 0.00 O ATOM 1799 CB LYS A 122 3.579 10.672 -20.456 1.00 0.00 C ATOM 1800 CG LYS A 122 4.604 11.804 -20.533 1.00 0.00 C ATOM 1801 CD LYS A 122 4.981 12.250 -19.118 1.00 0.00 C ATOM 1802 CE LYS A 122 5.815 13.530 -19.190 1.00 0.00 C ATOM 1803 NZ LYS A 122 5.967 14.101 -17.821 1.00 0.00 N ATOM 0 H LYS A 122 1.507 9.235 -20.360 1.00 0.00 H new ATOM 0 HA LYS A 122 2.017 12.112 -20.086 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.621 10.196 -19.476 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.814 9.905 -21.194 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.492 11.469 -21.069 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.192 12.644 -21.093 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.081 12.423 -18.528 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.545 11.464 -18.616 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.795 13.315 -19.617 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.333 14.254 -19.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.534 14.972 -17.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.029 14.320 -17.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.445 13.410 -17.208 1.00 0.00 H new ATOM 1817 N ALA A 123 1.620 10.707 -23.011 1.00 0.00 N ATOM 1818 CA ALA A 123 1.474 11.027 -24.460 1.00 0.00 C ATOM 1819 C ALA A 123 0.297 11.985 -24.661 1.00 0.00 C ATOM 1820 O ALA A 123 0.247 12.728 -25.621 1.00 0.00 O ATOM 1821 CB ALA A 123 1.223 9.738 -25.243 1.00 0.00 C ATOM 0 H ALA A 123 1.371 9.753 -22.749 1.00 0.00 H new ATOM 0 HA ALA A 123 2.388 11.500 -24.819 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.116 9.971 -26.302 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.064 9.058 -25.104 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.310 9.265 -24.882 1.00 0.00 H new ATOM 1827 N LYS A 124 -0.651 11.976 -23.764 1.00 0.00 N ATOM 1828 CA LYS A 124 -1.821 12.890 -23.910 1.00 0.00 C ATOM 1829 C LYS A 124 -1.562 14.176 -23.124 1.00 0.00 C ATOM 1830 O LYS A 124 -2.461 14.752 -22.543 1.00 0.00 O ATOM 1831 CB LYS A 124 -3.077 12.206 -23.366 1.00 0.00 C ATOM 1832 CG LYS A 124 -3.242 10.836 -24.030 1.00 0.00 C ATOM 1833 CD LYS A 124 -3.470 11.020 -25.531 1.00 0.00 C ATOM 1834 CE LYS A 124 -4.263 9.832 -26.077 1.00 0.00 C ATOM 1835 NZ LYS A 124 -3.867 9.574 -27.490 1.00 0.00 N ATOM 0 H LYS A 124 -0.667 11.377 -22.938 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.966 13.128 -24.964 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -3.002 12.091 -22.285 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.954 12.824 -23.561 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -2.354 10.228 -23.858 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.084 10.304 -23.586 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -4.011 11.948 -25.716 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -2.514 11.100 -26.048 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -4.076 8.947 -25.469 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -5.332 10.038 -26.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -4.407 8.766 -27.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -4.067 10.417 -28.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -2.850 9.359 -27.532 1.00 0.00 H new