USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 610 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 105 HIS : no HE2:sc= 0.958 K(o=1.3,f=-5!) USER MOD Set 1.2: A 119 CYS SG : rot 46:sc= 0.381 USER MOD Set 2.1: A 40 CYS SG : rot 164:sc= -0.686! USER MOD Set 2.2: A 43 CYS SG : rot -113:sc= -0.654! USER MOD Set 2.3: A 45 SER OG : rot 44:sc= 0.501 USER MOD Set 2.4: A 96 CYS SG : rot -157:sc= -7.34! USER MOD Set 2.5: A 98 GLN : amide:sc= 0.333 K(o=-16,f=-17) USER MOD Set 2.6: A 99 CYS SG : rot -7:sc= -7.88! USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.0185 USER MOD Single : A 37 MET CE :methyl -166:sc= -0.0511 (180deg=-0.344) USER MOD Single : A 38 TYR OH : rot 95:sc= 0.00701 USER MOD Single : A 39 HIS : no HE2:sc= 0.36 K(o=0.36,f=-2.4!) USER MOD Single : A 42 CYS SG : rot 180:sc=-0.00206 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.25) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.953) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 110:sc= 1.15 USER MOD Single : A 64 SER OG : rot 180:sc= -0.276 USER MOD Single : A 85 THR OG1 : rot -52:sc= 0.138 USER MOD Single : A 86 SER OG : rot -45:sc= 0.00878 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.137 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -109:sc= 1.17 (180deg=-0.0286) USER MOD Single : A 102 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.18) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.585 K(o=0.58,f=-3.4) USER MOD Single : A 121 ASN : amide:sc= 0.614 K(o=0.61,f=-0.045) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 44.872 44.535 47.086 1.00 0.00 N ATOM 559 CA THR A 35 45.109 43.162 47.548 1.00 0.00 C ATOM 560 C THR A 35 44.746 42.081 46.549 1.00 0.00 C ATOM 561 O THR A 35 44.194 42.356 45.485 1.00 0.00 O ATOM 562 CB THR A 35 44.404 42.938 48.885 1.00 0.00 C ATOM 563 OG1 THR A 35 45.103 41.927 49.562 1.00 0.00 O ATOM 564 CG2 THR A 35 42.928 42.566 48.889 1.00 0.00 C ATOM 0 HA THR A 35 46.188 43.067 47.671 1.00 0.00 H new ATOM 0 HB THR A 35 44.416 43.922 49.354 1.00 0.00 H new ATOM 0 HG1 THR A 35 44.554 41.116 49.595 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.586 42.444 49.917 1.00 0.00 H new ATOM 0 HG22 THR A 35 42.352 43.356 48.406 1.00 0.00 H new ATOM 0 HG23 THR A 35 42.787 41.631 48.347 1.00 0.00 H new ATOM 572 N GLY A 36 45.050 40.838 46.922 1.00 0.00 N ATOM 573 CA GLY A 36 44.832 39.641 46.094 1.00 0.00 C ATOM 574 C GLY A 36 45.543 38.390 46.588 1.00 0.00 C ATOM 575 O GLY A 36 45.633 38.159 47.794 1.00 0.00 O ATOM 0 H GLY A 36 45.465 40.625 47.829 1.00 0.00 H new ATOM 0 HA2 GLY A 36 43.762 39.439 46.045 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.163 39.853 45.077 1.00 0.00 H new ATOM 579 N MET A 37 46.083 37.598 45.663 1.00 0.00 N ATOM 580 CA MET A 37 46.910 36.428 45.955 1.00 0.00 C ATOM 581 C MET A 37 47.857 36.077 44.806 1.00 0.00 C ATOM 582 O MET A 37 47.683 36.486 43.657 1.00 0.00 O ATOM 583 CB MET A 37 46.042 35.226 46.365 1.00 0.00 C ATOM 584 CG MET A 37 45.116 34.665 45.284 1.00 0.00 C ATOM 585 SD MET A 37 43.672 35.655 44.804 1.00 0.00 S ATOM 586 CE MET A 37 42.780 35.748 46.380 1.00 0.00 C ATOM 0 H MET A 37 45.954 37.756 44.664 1.00 0.00 H new ATOM 0 HA MET A 37 47.543 36.689 46.803 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.701 34.426 46.701 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.433 35.518 47.221 1.00 0.00 H new ATOM 0 HG2 MET A 37 45.714 34.490 44.389 1.00 0.00 H new ATOM 0 HG3 MET A 37 44.757 33.693 45.623 1.00 0.00 H new ATOM 0 HE1 MET A 37 41.765 36.102 46.203 1.00 0.00 H new ATOM 0 HE2 MET A 37 42.745 34.759 46.837 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.294 36.439 47.049 1.00 0.00 H new ATOM 596 N TYR A 38 48.870 35.291 45.143 1.00 0.00 N ATOM 597 CA TYR A 38 49.862 34.761 44.215 1.00 0.00 C ATOM 598 C TYR A 38 50.097 33.261 44.445 1.00 0.00 C ATOM 599 O TYR A 38 49.931 32.733 45.547 1.00 0.00 O ATOM 600 CB TYR A 38 51.129 35.632 44.222 1.00 0.00 C ATOM 601 CG TYR A 38 51.915 35.709 45.519 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.430 36.455 46.614 1.00 0.00 C ATOM 603 CD2 TYR A 38 53.164 35.066 45.613 1.00 0.00 C ATOM 604 CE1 TYR A 38 52.161 36.503 47.815 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.904 35.121 46.808 1.00 0.00 C ATOM 606 CZ TYR A 38 53.387 35.816 47.922 1.00 0.00 C ATOM 607 OH TYR A 38 54.047 35.793 49.106 1.00 0.00 O ATOM 0 H TYR A 38 49.030 34.993 46.105 1.00 0.00 H new ATOM 0 HA TYR A 38 49.480 34.821 43.196 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.797 35.262 43.444 1.00 0.00 H new ATOM 0 HB3 TYR A 38 50.843 36.645 43.940 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.496 36.990 46.530 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.556 34.528 44.763 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.783 37.066 48.655 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.865 34.633 46.873 1.00 0.00 H new ATOM 0 HH TYR A 38 53.816 34.975 49.593 1.00 0.00 H new ATOM 617 N HIS A 39 50.358 32.555 43.349 1.00 0.00 N ATOM 618 CA HIS A 39 50.241 31.099 43.251 1.00 0.00 C ATOM 619 C HIS A 39 51.119 30.535 42.126 1.00 0.00 C ATOM 620 O HIS A 39 51.533 31.277 41.237 1.00 0.00 O ATOM 621 CB HIS A 39 48.769 30.750 42.984 1.00 0.00 C ATOM 622 CG HIS A 39 48.172 31.315 41.718 1.00 0.00 C ATOM 623 ND1 HIS A 39 48.264 30.769 40.461 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.347 32.404 41.627 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.502 31.504 39.633 1.00 0.00 C ATOM 626 NE2 HIS A 39 46.919 32.517 40.299 1.00 0.00 N ATOM 0 H HIS A 39 50.665 32.990 42.479 1.00 0.00 H new ATOM 0 HA HIS A 39 50.582 30.654 44.186 1.00 0.00 H new ATOM 0 HB2 HIS A 39 48.674 29.665 42.954 1.00 0.00 H new ATOM 0 HB3 HIS A 39 48.175 31.099 43.829 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.814 29.950 40.202 1.00 0.00 H new ATOM 0 HD2 HIS A 39 47.074 33.062 42.439 1.00 0.00 H new ATOM 0 HE1 HIS A 39 47.375 31.308 38.578 1.00 0.00 H new ATOM 634 N CYS A 40 51.373 29.230 42.115 1.00 0.00 N ATOM 635 CA CYS A 40 52.117 28.570 41.073 1.00 0.00 C ATOM 636 C CYS A 40 51.496 28.723 39.670 1.00 0.00 C ATOM 637 O CYS A 40 50.288 28.900 39.475 1.00 0.00 O ATOM 638 CB CYS A 40 52.224 27.103 41.487 1.00 0.00 C ATOM 639 SG CYS A 40 53.034 26.883 43.095 1.00 0.00 S ATOM 0 H CYS A 40 51.056 28.598 42.850 1.00 0.00 H new ATOM 0 HA CYS A 40 53.098 29.035 40.976 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.226 26.668 41.526 1.00 0.00 H new ATOM 0 HB3 CYS A 40 52.781 26.556 40.727 1.00 0.00 H new ATOM 0 HG CYS A 40 52.800 25.683 43.538 1.00 0.00 H new ATOM 644 N VAL A 41 52.379 28.546 38.693 1.00 0.00 N ATOM 645 CA VAL A 41 52.055 28.178 37.302 1.00 0.00 C ATOM 646 C VAL A 41 52.824 26.928 36.856 1.00 0.00 C ATOM 647 O VAL A 41 53.362 26.841 35.752 1.00 0.00 O ATOM 648 CB VAL A 41 52.125 29.409 36.389 1.00 0.00 C ATOM 649 CG1 VAL A 41 53.529 29.987 36.169 1.00 0.00 C ATOM 650 CG2 VAL A 41 51.411 29.218 35.047 1.00 0.00 C ATOM 0 H VAL A 41 53.381 28.657 38.845 1.00 0.00 H new ATOM 0 HA VAL A 41 51.016 27.857 37.224 1.00 0.00 H new ATOM 0 HB VAL A 41 51.578 30.156 36.965 1.00 0.00 H new ATOM 0 HG11 VAL A 41 53.467 30.853 35.510 1.00 0.00 H new ATOM 0 HG12 VAL A 41 53.952 30.290 37.127 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.167 29.230 35.714 1.00 0.00 H new ATOM 0 HG21 VAL A 41 51.502 30.128 34.454 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.866 28.387 34.508 1.00 0.00 H new ATOM 0 HG23 VAL A 41 50.357 29.003 35.223 1.00 0.00 H new ATOM 660 N CYS A 42 52.898 25.955 37.767 1.00 0.00 N ATOM 661 CA CYS A 42 53.532 24.653 37.547 1.00 0.00 C ATOM 662 C CYS A 42 52.691 23.476 38.084 1.00 0.00 C ATOM 663 O CYS A 42 52.490 22.501 37.354 1.00 0.00 O ATOM 664 CB CYS A 42 54.926 24.696 38.183 1.00 0.00 C ATOM 665 SG CYS A 42 55.845 23.178 37.780 1.00 0.00 S ATOM 0 H CYS A 42 52.508 26.054 38.704 1.00 0.00 H new ATOM 0 HA CYS A 42 53.612 24.472 36.475 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.472 25.568 37.822 1.00 0.00 H new ATOM 0 HB3 CYS A 42 54.838 24.801 39.264 1.00 0.00 H new ATOM 0 HG CYS A 42 57.025 23.228 38.323 1.00 0.00 H new ATOM 671 N CYS A 43 52.195 23.559 39.321 1.00 0.00 N ATOM 672 CA CYS A 43 51.440 22.517 40.001 1.00 0.00 C ATOM 673 C CYS A 43 49.902 22.693 39.905 1.00 0.00 C ATOM 674 O CYS A 43 49.267 22.113 39.024 1.00 0.00 O ATOM 675 CB CYS A 43 52.003 22.434 41.431 1.00 0.00 C ATOM 676 SG CYS A 43 52.054 24.055 42.234 1.00 0.00 S ATOM 0 H CYS A 43 52.317 24.392 39.896 1.00 0.00 H new ATOM 0 HA CYS A 43 51.573 21.555 39.505 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.390 21.755 42.023 1.00 0.00 H new ATOM 0 HB3 CYS A 43 53.008 22.012 41.401 1.00 0.00 H new ATOM 0 HG CYS A 43 53.291 24.406 42.425 1.00 0.00 H new ATOM 681 N ASP A 44 49.318 23.408 40.870 1.00 0.00 N ATOM 682 CA ASP A 44 47.883 23.739 40.988 1.00 0.00 C ATOM 683 C ASP A 44 47.577 24.701 42.156 1.00 0.00 C ATOM 684 O ASP A 44 46.590 25.438 42.122 1.00 0.00 O ATOM 685 CB ASP A 44 47.063 22.452 41.245 1.00 0.00 C ATOM 686 CG ASP A 44 46.311 21.929 40.014 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.783 22.741 39.219 1.00 0.00 O ATOM 688 OD2 ASP A 44 46.197 20.688 39.870 1.00 0.00 O ATOM 0 H ASP A 44 49.862 23.798 41.640 1.00 0.00 H new ATOM 0 HA ASP A 44 47.612 24.221 40.049 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.735 21.673 41.605 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.344 22.646 42.041 1.00 0.00 H new ATOM 693 N SER A 45 48.357 24.645 43.238 1.00 0.00 N ATOM 694 CA SER A 45 47.986 25.191 44.545 1.00 0.00 C ATOM 695 C SER A 45 48.297 26.687 44.724 1.00 0.00 C ATOM 696 O SER A 45 49.468 27.068 44.646 1.00 0.00 O ATOM 697 CB SER A 45 48.731 24.405 45.626 1.00 0.00 C ATOM 698 OG SER A 45 50.110 24.285 45.307 1.00 0.00 O ATOM 0 H SER A 45 49.280 24.211 43.230 1.00 0.00 H new ATOM 0 HA SER A 45 46.903 25.092 44.625 1.00 0.00 H new ATOM 0 HB2 SER A 45 48.618 24.906 46.588 1.00 0.00 H new ATOM 0 HB3 SER A 45 48.290 23.414 45.729 1.00 0.00 H new ATOM 0 HG SER A 45 50.446 25.146 44.981 1.00 0.00 H new ATOM 704 N PRO A 46 47.319 27.534 45.099 1.00 0.00 N ATOM 705 CA PRO A 46 47.607 28.836 45.687 1.00 0.00 C ATOM 706 C PRO A 46 48.113 28.700 47.122 1.00 0.00 C ATOM 707 O PRO A 46 47.605 27.900 47.908 1.00 0.00 O ATOM 708 CB PRO A 46 46.312 29.638 45.597 1.00 0.00 C ATOM 709 CG PRO A 46 45.240 28.554 45.671 1.00 0.00 C ATOM 710 CD PRO A 46 45.880 27.324 45.021 1.00 0.00 C ATOM 0 HA PRO A 46 48.408 29.348 45.153 1.00 0.00 H new ATOM 0 HB2 PRO A 46 46.221 30.354 46.414 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.251 30.205 44.668 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.953 28.352 46.703 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.336 28.855 45.142 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.590 26.412 45.542 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.557 27.217 43.986 1.00 0.00 H new ATOM 718 N LEU A 47 49.122 29.507 47.447 1.00 0.00 N ATOM 719 CA LEU A 47 49.980 29.301 48.622 1.00 0.00 C ATOM 720 C LEU A 47 49.985 30.497 49.592 1.00 0.00 C ATOM 721 O LEU A 47 50.191 30.320 50.793 1.00 0.00 O ATOM 722 CB LEU A 47 51.397 28.959 48.105 1.00 0.00 C ATOM 723 CG LEU A 47 52.066 27.741 48.760 1.00 0.00 C ATOM 724 CD1 LEU A 47 53.427 27.512 48.101 1.00 0.00 C ATOM 725 CD2 LEU A 47 52.279 27.899 50.267 1.00 0.00 C ATOM 0 H LEU A 47 49.372 30.331 46.900 1.00 0.00 H new ATOM 0 HA LEU A 47 49.583 28.479 49.218 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.340 28.786 47.030 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.038 29.828 48.254 1.00 0.00 H new ATOM 0 HG LEU A 47 51.393 26.895 48.615 1.00 0.00 H new ATOM 0 HD11 LEU A 47 53.912 26.649 48.558 1.00 0.00 H new ATOM 0 HD12 LEU A 47 53.289 27.329 47.035 1.00 0.00 H new ATOM 0 HD13 LEU A 47 54.051 28.395 48.239 1.00 0.00 H new ATOM 0 HD21 LEU A 47 52.755 27.002 50.663 1.00 0.00 H new ATOM 0 HD22 LEU A 47 52.917 28.762 50.456 1.00 0.00 H new ATOM 0 HD23 LEU A 47 51.316 28.045 50.757 1.00 0.00 H new ATOM 737 N PHE A 48 49.751 31.715 49.086 1.00 0.00 N ATOM 738 CA PHE A 48 49.754 32.936 49.905 1.00 0.00 C ATOM 739 C PHE A 48 48.837 34.034 49.343 1.00 0.00 C ATOM 740 O PHE A 48 48.839 34.322 48.142 1.00 0.00 O ATOM 741 CB PHE A 48 51.192 33.477 50.108 1.00 0.00 C ATOM 742 CG PHE A 48 52.335 32.711 49.451 1.00 0.00 C ATOM 743 CD1 PHE A 48 52.458 32.681 48.048 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.273 32.017 50.239 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.514 31.979 47.440 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.338 31.325 49.633 1.00 0.00 C ATOM 747 CZ PHE A 48 54.461 31.308 48.233 1.00 0.00 C ATOM 0 H PHE A 48 49.555 31.882 48.099 1.00 0.00 H new ATOM 0 HA PHE A 48 49.350 32.650 50.876 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.220 34.503 49.740 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.387 33.518 51.180 1.00 0.00 H new ATOM 0 HD1 PHE A 48 51.736 33.201 47.435 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.175 32.016 51.315 1.00 0.00 H new ATOM 0 HE1 PHE A 48 53.597 31.955 46.363 1.00 0.00 H new ATOM 0 HE2 PHE A 48 55.062 30.806 50.244 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.281 30.781 47.768 1.00 0.00 H new ATOM 757 N SER A 49 48.090 34.715 50.220 1.00 0.00 N ATOM 758 CA SER A 49 47.341 35.918 49.870 1.00 0.00 C ATOM 759 C SER A 49 48.257 37.134 49.947 1.00 0.00 C ATOM 760 O SER A 49 48.983 37.330 50.922 1.00 0.00 O ATOM 761 CB SER A 49 46.125 36.132 50.769 1.00 0.00 C ATOM 762 OG SER A 49 45.433 34.924 51.016 1.00 0.00 O ATOM 0 H SER A 49 47.991 34.441 51.198 1.00 0.00 H new ATOM 0 HA SER A 49 46.973 35.786 48.852 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.445 36.567 51.716 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.449 36.848 50.302 1.00 0.00 H new ATOM 0 HG SER A 49 44.663 35.101 51.596 1.00 0.00 H new ATOM 768 N SER A 50 48.157 38.007 48.955 1.00 0.00 N ATOM 769 CA SER A 50 48.908 39.243 48.828 1.00 0.00 C ATOM 770 C SER A 50 48.654 40.252 49.944 1.00 0.00 C ATOM 771 O SER A 50 49.403 41.206 50.100 1.00 0.00 O ATOM 772 CB SER A 50 48.457 39.880 47.535 1.00 0.00 C ATOM 773 OG SER A 50 48.934 39.170 46.408 1.00 0.00 O ATOM 0 H SER A 50 47.514 37.862 48.176 1.00 0.00 H new ATOM 0 HA SER A 50 49.968 38.993 48.868 1.00 0.00 H new ATOM 0 HB2 SER A 50 47.368 39.917 47.508 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.812 40.910 47.493 1.00 0.00 H new ATOM 0 HG SER A 50 48.622 39.609 45.589 1.00 0.00 H new ATOM 779 N GLU A 51 47.621 40.028 50.751 1.00 0.00 N ATOM 780 CA GLU A 51 47.342 40.821 51.949 1.00 0.00 C ATOM 781 C GLU A 51 48.503 40.744 52.953 1.00 0.00 C ATOM 782 O GLU A 51 48.780 41.699 53.675 1.00 0.00 O ATOM 783 CB GLU A 51 46.046 40.342 52.629 1.00 0.00 C ATOM 784 CG GLU A 51 44.903 41.354 52.522 1.00 0.00 C ATOM 785 CD GLU A 51 44.119 41.580 53.821 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.690 42.103 54.803 1.00 0.00 O ATOM 787 OE2 GLU A 51 42.888 41.361 53.808 1.00 0.00 O ATOM 0 H GLU A 51 46.944 39.282 50.591 1.00 0.00 H new ATOM 0 HA GLU A 51 47.222 41.857 51.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.733 39.400 52.178 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.248 40.140 53.681 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.312 42.308 52.190 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.210 41.018 51.750 1.00 0.00 H new ATOM 794 N LYS A 52 49.232 39.619 52.955 1.00 0.00 N ATOM 795 CA LYS A 52 50.430 39.414 53.778 1.00 0.00 C ATOM 796 C LYS A 52 51.655 40.164 53.266 1.00 0.00 C ATOM 797 O LYS A 52 52.697 40.090 53.918 1.00 0.00 O ATOM 798 CB LYS A 52 50.741 37.912 53.886 1.00 0.00 C ATOM 799 CG LYS A 52 49.611 37.081 54.503 1.00 0.00 C ATOM 800 CD LYS A 52 49.072 37.592 55.848 1.00 0.00 C ATOM 801 CE LYS A 52 50.182 37.883 56.855 1.00 0.00 C ATOM 802 NZ LYS A 52 49.638 38.129 58.206 1.00 0.00 N ATOM 0 H LYS A 52 49.001 38.813 52.374 1.00 0.00 H new ATOM 0 HA LYS A 52 50.204 39.825 54.762 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.960 37.525 52.891 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.642 37.781 54.485 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.785 37.039 53.793 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.967 36.060 54.639 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.491 38.499 55.681 1.00 0.00 H new ATOM 0 HD3 LYS A 52 48.392 36.851 56.267 1.00 0.00 H new ATOM 0 HE2 LYS A 52 50.874 37.042 56.888 1.00 0.00 H new ATOM 0 HE3 LYS A 52 50.753 38.752 56.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 50.418 38.340 58.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 48.984 38.937 58.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 49.129 37.284 58.535 1.00 0.00 H new ATOM 816 N LYS A 53 51.554 40.864 52.124 1.00 0.00 N ATOM 817 CA LYS A 53 52.660 41.653 51.564 1.00 0.00 C ATOM 818 C LYS A 53 53.192 42.620 52.618 1.00 0.00 C ATOM 819 O LYS A 53 52.430 43.376 53.220 1.00 0.00 O ATOM 820 CB LYS A 53 52.251 42.375 50.280 1.00 0.00 C ATOM 821 CG LYS A 53 53.445 43.076 49.599 1.00 0.00 C ATOM 822 CD LYS A 53 52.962 44.170 48.646 1.00 0.00 C ATOM 823 CE LYS A 53 52.358 45.352 49.416 1.00 0.00 C ATOM 824 NZ LYS A 53 53.374 46.166 50.125 1.00 0.00 N ATOM 0 H LYS A 53 50.702 40.898 51.564 1.00 0.00 H new ATOM 0 HA LYS A 53 53.464 40.972 51.286 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.809 41.658 49.587 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.482 43.112 50.509 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.098 43.510 50.356 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.037 42.344 49.049 1.00 0.00 H new ATOM 0 HD2 LYS A 53 53.796 44.518 48.036 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.218 43.759 47.964 1.00 0.00 H new ATOM 0 HE2 LYS A 53 51.812 45.989 48.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 51.635 44.975 50.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 52.937 47.045 50.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 53.749 45.628 50.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 54.150 46.397 49.473 1.00 0.00 H new ATOM 838 N TYR A 54 54.504 42.585 52.819 1.00 0.00 N ATOM 839 CA TYR A 54 55.172 43.404 53.830 1.00 0.00 C ATOM 840 C TYR A 54 55.125 44.912 53.520 1.00 0.00 C ATOM 841 O TYR A 54 54.798 45.323 52.399 1.00 0.00 O ATOM 842 CB TYR A 54 56.587 42.886 54.111 1.00 0.00 C ATOM 843 CG TYR A 54 56.858 42.821 55.600 1.00 0.00 C ATOM 844 CD1 TYR A 54 56.333 41.739 56.332 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.513 43.876 56.267 1.00 0.00 C ATOM 846 CE1 TYR A 54 56.416 41.733 57.734 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.588 43.873 57.676 1.00 0.00 C ATOM 848 CZ TYR A 54 57.014 42.812 58.412 1.00 0.00 C ATOM 849 OH TYR A 54 56.994 42.839 59.770 1.00 0.00 O ATOM 0 H TYR A 54 55.137 41.988 52.287 1.00 0.00 H new ATOM 0 HA TYR A 54 54.604 43.298 54.754 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.709 41.896 53.672 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.318 43.538 53.633 1.00 0.00 H new ATOM 0 HD1 TYR A 54 55.866 40.913 55.815 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.956 44.683 55.702 1.00 0.00 H new ATOM 0 HE1 TYR A 54 56.020 40.898 58.293 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.084 44.682 58.192 1.00 0.00 H new ATOM 0 HH TYR A 54 57.448 43.647 60.088 1.00 0.00 H new ATOM 933 N PRO A 61 59.675 41.115 47.016 1.00 0.00 N ATOM 934 CA PRO A 61 58.514 40.359 47.474 1.00 0.00 C ATOM 935 C PRO A 61 58.757 39.712 48.847 1.00 0.00 C ATOM 936 O PRO A 61 59.678 38.913 49.033 1.00 0.00 O ATOM 937 CB PRO A 61 58.251 39.340 46.363 1.00 0.00 C ATOM 938 CG PRO A 61 59.658 39.017 45.857 1.00 0.00 C ATOM 939 CD PRO A 61 60.394 40.351 46.002 1.00 0.00 C ATOM 0 HA PRO A 61 57.642 40.993 47.637 1.00 0.00 H new ATOM 0 HB2 PRO A 61 57.744 38.452 46.741 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.623 39.755 45.574 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.128 38.231 46.448 1.00 0.00 H new ATOM 0 HG3 PRO A 61 59.645 38.674 44.822 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.430 40.191 46.299 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.414 40.888 45.054 1.00 0.00 H new ATOM 947 N SER A 62 57.891 40.024 49.810 1.00 0.00 N ATOM 948 CA SER A 62 57.923 39.483 51.173 1.00 0.00 C ATOM 949 C SER A 62 56.523 39.397 51.775 1.00 0.00 C ATOM 950 O SER A 62 55.612 40.103 51.342 1.00 0.00 O ATOM 951 CB SER A 62 58.848 40.314 52.033 1.00 0.00 C ATOM 952 OG SER A 62 58.781 39.952 53.394 1.00 0.00 O ATOM 0 H SER A 62 57.124 40.680 49.661 1.00 0.00 H new ATOM 0 HA SER A 62 58.310 38.465 51.133 1.00 0.00 H new ATOM 0 HB2 SER A 62 59.872 40.198 51.678 1.00 0.00 H new ATOM 0 HB3 SER A 62 58.591 41.368 51.926 1.00 0.00 H new ATOM 0 HG SER A 62 59.615 39.510 53.656 1.00 0.00 H new ATOM 958 N PHE A 63 56.358 38.499 52.744 1.00 0.00 N ATOM 959 CA PHE A 63 55.085 37.937 53.169 1.00 0.00 C ATOM 960 C PHE A 63 55.174 37.546 54.643 1.00 0.00 C ATOM 961 O PHE A 63 55.964 36.680 54.993 1.00 0.00 O ATOM 962 CB PHE A 63 54.710 36.740 52.271 1.00 0.00 C ATOM 963 CG PHE A 63 55.531 35.446 52.349 1.00 0.00 C ATOM 964 CD1 PHE A 63 56.934 35.432 52.196 1.00 0.00 C ATOM 965 CD2 PHE A 63 54.867 34.221 52.551 1.00 0.00 C ATOM 966 CE1 PHE A 63 57.654 34.224 52.278 1.00 0.00 C ATOM 967 CE2 PHE A 63 55.586 33.016 52.654 1.00 0.00 C ATOM 968 CZ PHE A 63 56.983 33.016 52.521 1.00 0.00 C ATOM 0 H PHE A 63 57.146 38.129 53.276 1.00 0.00 H new ATOM 0 HA PHE A 63 54.293 38.678 53.065 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.673 36.482 52.488 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.743 37.085 51.238 1.00 0.00 H new ATOM 0 HD1 PHE A 63 57.461 36.357 52.014 1.00 0.00 H new ATOM 0 HD2 PHE A 63 53.790 34.206 52.628 1.00 0.00 H new ATOM 0 HE1 PHE A 63 58.727 34.228 52.153 1.00 0.00 H new ATOM 0 HE2 PHE A 63 55.062 32.089 52.836 1.00 0.00 H new ATOM 0 HZ PHE A 63 57.537 32.093 52.605 1.00 0.00 H new ATOM 978 N SER A 64 54.407 38.184 55.530 1.00 0.00 N ATOM 979 CA SER A 64 54.526 37.862 56.968 1.00 0.00 C ATOM 980 C SER A 64 53.940 36.496 57.346 1.00 0.00 C ATOM 981 O SER A 64 54.275 35.954 58.397 1.00 0.00 O ATOM 982 CB SER A 64 54.017 38.989 57.868 1.00 0.00 C ATOM 983 OG SER A 64 52.633 38.938 58.136 1.00 0.00 O ATOM 0 H SER A 64 53.719 38.901 55.299 1.00 0.00 H new ATOM 0 HA SER A 64 55.597 37.776 57.153 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.560 38.957 58.813 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.249 39.945 57.399 1.00 0.00 H new ATOM 0 HG SER A 64 52.384 39.687 58.717 1.00 0.00 H new ATOM 989 N GLU A 65 53.106 35.904 56.480 1.00 0.00 N ATOM 990 CA GLU A 65 52.695 34.503 56.570 1.00 0.00 C ATOM 991 C GLU A 65 52.467 33.873 55.195 1.00 0.00 C ATOM 992 O GLU A 65 52.013 34.536 54.262 1.00 0.00 O ATOM 993 CB GLU A 65 51.380 34.349 57.331 1.00 0.00 C ATOM 994 CG GLU A 65 51.326 34.930 58.740 1.00 0.00 C ATOM 995 CD GLU A 65 49.915 34.732 59.279 1.00 0.00 C ATOM 996 OE1 GLU A 65 49.062 35.600 59.001 1.00 0.00 O ATOM 997 OE2 GLU A 65 49.671 33.697 59.943 1.00 0.00 O ATOM 0 H GLU A 65 52.694 36.395 55.687 1.00 0.00 H new ATOM 0 HA GLU A 65 53.513 34.004 57.089 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.590 34.815 56.741 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.147 33.286 57.393 1.00 0.00 H new ATOM 0 HG2 GLU A 65 52.053 34.435 59.384 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.583 35.989 58.725 1.00 0.00 H new ATOM 1004 N ALA A 66 52.593 32.546 55.140 1.00 0.00 N ATOM 1005 CA ALA A 66 51.712 31.746 54.301 1.00 0.00 C ATOM 1006 C ALA A 66 50.310 31.810 54.934 1.00 0.00 C ATOM 1007 O ALA A 66 50.089 31.333 56.052 1.00 0.00 O ATOM 1008 CB ALA A 66 52.263 30.319 54.192 1.00 0.00 C ATOM 0 H ALA A 66 53.289 32.012 55.661 1.00 0.00 H new ATOM 0 HA ALA A 66 51.652 32.124 53.280 1.00 0.00 H new ATOM 0 HB1 ALA A 66 51.603 29.721 53.564 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.259 30.346 53.749 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.320 29.874 55.185 1.00 0.00 H new ATOM 1162 N GLY A 78 51.461 20.970 50.416 1.00 0.00 N ATOM 1163 CA GLY A 78 52.380 20.141 49.640 1.00 0.00 C ATOM 1164 C GLY A 78 53.800 20.712 49.598 1.00 0.00 C ATOM 1165 O GLY A 78 54.615 20.282 48.779 1.00 0.00 O ATOM 0 HA2 GLY A 78 52.408 19.139 50.068 1.00 0.00 H new ATOM 0 HA3 GLY A 78 52.002 20.042 48.622 1.00 0.00 H new ATOM 1169 N ILE A 79 54.106 21.663 50.482 1.00 0.00 N ATOM 1170 CA ILE A 79 55.453 22.222 50.635 1.00 0.00 C ATOM 1171 C ILE A 79 56.360 21.313 51.471 1.00 0.00 C ATOM 1172 O ILE A 79 55.931 20.399 52.180 1.00 0.00 O ATOM 1173 CB ILE A 79 55.425 23.664 51.198 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.856 23.696 52.630 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.709 24.595 50.205 1.00 0.00 C ATOM 1176 CD1 ILE A 79 54.718 25.097 53.237 1.00 0.00 C ATOM 0 H ILE A 79 53.421 22.071 51.118 1.00 0.00 H new ATOM 0 HA ILE A 79 55.882 22.276 49.634 1.00 0.00 H new ATOM 0 HB ILE A 79 56.442 24.044 51.298 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.876 23.219 52.627 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.500 23.098 53.275 1.00 0.00 H new ATOM 0 HG21 ILE A 79 54.691 25.609 50.605 1.00 0.00 H new ATOM 0 HG22 ILE A 79 55.240 24.589 49.253 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.687 24.247 50.052 1.00 0.00 H new ATOM 0 HD11 ILE A 79 54.310 25.018 54.245 1.00 0.00 H new ATOM 0 HD12 ILE A 79 55.697 25.574 53.278 1.00 0.00 H new ATOM 0 HD13 ILE A 79 54.048 25.696 52.620 1.00 0.00 H new ATOM 1188 N LEU A 80 57.644 21.626 51.402 1.00 0.00 N ATOM 1189 CA LEU A 80 58.712 21.137 52.267 1.00 0.00 C ATOM 1190 C LEU A 80 59.581 22.325 52.699 1.00 0.00 C ATOM 1191 O LEU A 80 59.349 23.469 52.309 1.00 0.00 O ATOM 1192 CB LEU A 80 59.495 20.023 51.557 1.00 0.00 C ATOM 1193 CG LEU A 80 59.605 18.725 52.367 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.808 17.562 51.402 1.00 0.00 C ATOM 1195 CD2 LEU A 80 60.739 18.748 53.395 1.00 0.00 C ATOM 0 H LEU A 80 57.994 22.271 50.694 1.00 0.00 H new ATOM 0 HA LEU A 80 58.308 20.687 53.174 1.00 0.00 H new ATOM 0 HB2 LEU A 80 59.013 19.805 50.604 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.498 20.385 51.332 1.00 0.00 H new ATOM 0 HG LEU A 80 58.680 18.611 52.932 1.00 0.00 H new ATOM 0 HD11 LEU A 80 59.888 16.632 51.965 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.959 17.502 50.721 1.00 0.00 H new ATOM 0 HD13 LEU A 80 60.722 17.719 50.830 1.00 0.00 H new ATOM 0 HD21 LEU A 80 60.761 17.800 53.933 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.690 18.898 52.884 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.574 19.562 54.101 1.00 0.00 H new ATOM 1207 N ARG A 81 60.561 22.063 53.555 1.00 0.00 N ATOM 1208 CA ARG A 81 61.393 23.090 54.182 1.00 0.00 C ATOM 1209 C ARG A 81 62.814 22.626 54.437 1.00 0.00 C ATOM 1210 O ARG A 81 63.034 21.456 54.759 1.00 0.00 O ATOM 1211 CB ARG A 81 60.703 23.637 55.440 1.00 0.00 C ATOM 1212 CG ARG A 81 60.148 22.615 56.429 1.00 0.00 C ATOM 1213 CD ARG A 81 59.225 23.297 57.449 1.00 0.00 C ATOM 1214 NE ARG A 81 58.260 22.325 57.995 1.00 0.00 N ATOM 1215 CZ ARG A 81 57.038 22.538 58.447 1.00 0.00 C ATOM 1216 NH1 ARG A 81 56.536 23.713 58.684 1.00 0.00 N ATOM 1217 NH2 ARG A 81 56.268 21.518 58.664 1.00 0.00 N ATOM 0 H ARG A 81 60.807 21.115 53.840 1.00 0.00 H new ATOM 0 HA ARG A 81 61.495 23.914 53.476 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.417 24.268 55.970 1.00 0.00 H new ATOM 0 HB3 ARG A 81 59.883 24.281 55.123 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.598 21.843 55.892 1.00 0.00 H new ATOM 0 HG3 ARG A 81 60.969 22.119 56.947 1.00 0.00 H new ATOM 0 HD2 ARG A 81 59.818 23.725 58.257 1.00 0.00 H new ATOM 0 HD3 ARG A 81 58.693 24.121 56.974 1.00 0.00 H new ATOM 0 HE ARG A 81 58.580 21.357 58.028 1.00 0.00 H new ATOM 0 HH11 ARG A 81 57.096 24.549 58.521 1.00 0.00 H new ATOM 0 HH12 ARG A 81 55.581 23.799 59.033 1.00 0.00 H new ATOM 0 HH21 ARG A 81 56.610 20.574 58.486 1.00 0.00 H new ATOM 0 HH22 ARG A 81 55.320 21.660 59.013 1.00 0.00 H new ATOM 1231 N ARG A 82 63.752 23.563 54.334 1.00 0.00 N ATOM 1232 CA ARG A 82 65.195 23.353 54.426 1.00 0.00 C ATOM 1233 C ARG A 82 65.806 24.451 55.277 1.00 0.00 C ATOM 1234 O ARG A 82 65.881 25.619 54.917 1.00 0.00 O ATOM 1235 CB ARG A 82 65.813 23.244 53.025 1.00 0.00 C ATOM 1236 CG ARG A 82 66.893 22.161 52.973 1.00 0.00 C ATOM 1237 CD ARG A 82 68.139 22.508 53.784 1.00 0.00 C ATOM 1238 NE ARG A 82 69.095 21.387 53.744 1.00 0.00 N ATOM 1239 CZ ARG A 82 69.467 20.646 54.770 1.00 0.00 C ATOM 1240 NH1 ARG A 82 69.303 20.991 56.012 1.00 0.00 N ATOM 1241 NH2 ARG A 82 70.011 19.486 54.562 1.00 0.00 N ATOM 0 H ARG A 82 63.514 24.542 54.176 1.00 0.00 H new ATOM 0 HA ARG A 82 65.412 22.406 54.920 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.033 23.017 52.298 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.244 24.204 52.740 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.476 21.225 53.344 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.179 21.993 51.935 1.00 0.00 H new ATOM 0 HD2 ARG A 82 68.605 23.408 53.383 1.00 0.00 H new ATOM 0 HD3 ARG A 82 67.863 22.724 54.816 1.00 0.00 H new ATOM 0 HE ARG A 82 69.508 21.163 52.838 1.00 0.00 H new ATOM 0 HH11 ARG A 82 68.863 21.883 56.240 1.00 0.00 H new ATOM 0 HH12 ARG A 82 69.614 20.370 56.759 1.00 0.00 H new ATOM 0 HH21 ARG A 82 70.149 19.151 53.609 1.00 0.00 H new ATOM 0 HH22 ARG A 82 70.300 18.909 55.352 1.00 0.00 H new ATOM 1255 N LEU A 83 66.220 24.052 56.463 1.00 0.00 N ATOM 1256 CA LEU A 83 66.940 24.880 57.409 1.00 0.00 C ATOM 1257 C LEU A 83 68.447 24.768 57.176 1.00 0.00 C ATOM 1258 O LEU A 83 68.958 23.716 56.780 1.00 0.00 O ATOM 1259 CB LEU A 83 66.562 24.541 58.855 1.00 0.00 C ATOM 1260 CG LEU A 83 65.202 25.061 59.351 1.00 0.00 C ATOM 1261 CD1 LEU A 83 63.986 24.560 58.566 1.00 0.00 C ATOM 1262 CD2 LEU A 83 65.008 24.659 60.815 1.00 0.00 C ATOM 0 H LEU A 83 66.058 23.106 56.807 1.00 0.00 H new ATOM 0 HA LEU A 83 66.650 25.918 57.243 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.573 23.457 58.965 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.338 24.936 59.511 1.00 0.00 H new ATOM 0 HG LEU A 83 65.245 26.141 59.210 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.077 24.983 58.994 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.074 24.867 57.524 1.00 0.00 H new ATOM 0 HD13 LEU A 83 63.940 23.472 58.621 1.00 0.00 H new ATOM 0 HD21 LEU A 83 64.045 25.027 61.169 1.00 0.00 H new ATOM 0 HD22 LEU A 83 65.036 23.573 60.901 1.00 0.00 H new ATOM 0 HD23 LEU A 83 65.805 25.091 61.420 1.00 0.00 H new ATOM 1274 N ASP A 84 69.154 25.850 57.471 1.00 0.00 N ATOM 1275 CA ASP A 84 70.603 25.955 57.341 1.00 0.00 C ATOM 1276 C ASP A 84 71.131 26.944 58.381 1.00 0.00 C ATOM 1277 O ASP A 84 70.762 28.112 58.416 1.00 0.00 O ATOM 1278 CB ASP A 84 70.994 26.390 55.921 1.00 0.00 C ATOM 1279 CG ASP A 84 72.493 26.211 55.651 1.00 0.00 C ATOM 1280 OD1 ASP A 84 73.316 26.510 56.552 1.00 0.00 O ATOM 1281 OD2 ASP A 84 72.809 25.757 54.529 1.00 0.00 O ATOM 0 H ASP A 84 68.723 26.706 57.818 1.00 0.00 H new ATOM 0 HA ASP A 84 71.051 24.977 57.518 1.00 0.00 H new ATOM 0 HB2 ASP A 84 70.424 25.809 55.195 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.723 27.436 55.776 1.00 0.00 H new ATOM 1286 N THR A 85 72.002 26.464 59.254 1.00 0.00 N ATOM 1287 CA THR A 85 72.730 27.285 60.232 1.00 0.00 C ATOM 1288 C THR A 85 74.240 26.976 60.183 1.00 0.00 C ATOM 1289 O THR A 85 74.929 26.940 61.204 1.00 0.00 O ATOM 1290 CB THR A 85 72.045 27.173 61.607 1.00 0.00 C ATOM 1291 OG1 THR A 85 72.581 28.079 62.539 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.042 25.761 62.198 1.00 0.00 C ATOM 0 H THR A 85 72.234 25.472 59.311 1.00 0.00 H new ATOM 0 HA THR A 85 72.680 28.345 59.983 1.00 0.00 H new ATOM 0 HB THR A 85 71.005 27.432 61.410 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.555 27.979 62.570 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.541 25.773 63.166 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.515 25.086 61.524 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.069 25.418 62.325 1.00 0.00 H new ATOM 1300 N SER A 86 74.740 26.693 58.968 1.00 0.00 N ATOM 1301 CA SER A 86 76.090 26.173 58.667 1.00 0.00 C ATOM 1302 C SER A 86 76.839 26.937 57.561 1.00 0.00 C ATOM 1303 O SER A 86 78.042 26.787 57.369 1.00 0.00 O ATOM 1304 CB SER A 86 75.978 24.683 58.323 1.00 0.00 C ATOM 1305 OG SER A 86 77.216 24.021 58.493 1.00 0.00 O ATOM 0 H SER A 86 74.186 26.827 58.122 1.00 0.00 H new ATOM 0 HA SER A 86 76.695 26.322 59.561 1.00 0.00 H new ATOM 0 HB2 SER A 86 75.224 24.217 58.957 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.641 24.570 57.292 1.00 0.00 H new ATOM 0 HG SER A 86 77.932 24.560 58.096 1.00 0.00 H new ATOM 1311 N LEU A 87 76.149 27.876 56.919 1.00 0.00 N ATOM 1312 CA LEU A 87 76.684 28.865 55.961 1.00 0.00 C ATOM 1313 C LEU A 87 77.173 30.144 56.671 1.00 0.00 C ATOM 1314 O LEU A 87 77.174 31.249 56.124 1.00 0.00 O ATOM 1315 CB LEU A 87 75.645 29.134 54.863 1.00 0.00 C ATOM 1316 CG LEU A 87 75.372 27.945 53.929 1.00 0.00 C ATOM 1317 CD1 LEU A 87 74.292 28.333 52.918 1.00 0.00 C ATOM 1318 CD2 LEU A 87 76.615 27.488 53.159 1.00 0.00 C ATOM 0 H LEU A 87 75.144 27.981 57.055 1.00 0.00 H new ATOM 0 HA LEU A 87 77.570 28.454 55.478 1.00 0.00 H new ATOM 0 HB2 LEU A 87 74.708 29.431 55.334 1.00 0.00 H new ATOM 0 HB3 LEU A 87 75.982 29.979 54.263 1.00 0.00 H new ATOM 0 HG LEU A 87 75.051 27.117 54.560 1.00 0.00 H new ATOM 0 HD11 LEU A 87 74.096 27.491 52.254 1.00 0.00 H new ATOM 0 HD12 LEU A 87 73.377 28.598 53.447 1.00 0.00 H new ATOM 0 HD13 LEU A 87 74.632 29.186 52.331 1.00 0.00 H new ATOM 0 HD21 LEU A 87 76.356 26.646 52.517 1.00 0.00 H new ATOM 0 HD22 LEU A 87 76.986 28.310 52.547 1.00 0.00 H new ATOM 0 HD23 LEU A 87 77.388 27.183 53.864 1.00 0.00 H new ATOM 1330 N GLY A 88 77.516 29.981 57.948 1.00 0.00 N ATOM 1331 CA GLY A 88 78.047 31.008 58.849 1.00 0.00 C ATOM 1332 C GLY A 88 76.981 31.923 59.452 1.00 0.00 C ATOM 1333 O GLY A 88 77.273 32.695 60.362 1.00 0.00 O ATOM 0 H GLY A 88 77.426 29.076 58.410 1.00 0.00 H new ATOM 0 HA2 GLY A 88 78.591 30.520 59.658 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.767 31.618 58.303 1.00 0.00 H new ATOM 1337 N CYS A 89 75.749 31.841 58.953 1.00 0.00 N ATOM 1338 CA CYS A 89 74.636 32.706 59.335 1.00 0.00 C ATOM 1339 C CYS A 89 73.315 31.907 59.296 1.00 0.00 C ATOM 1340 O CYS A 89 73.083 31.222 58.299 1.00 0.00 O ATOM 1341 CB CYS A 89 74.650 33.890 58.362 1.00 0.00 C ATOM 1342 SG CYS A 89 73.922 35.371 59.114 1.00 0.00 S ATOM 0 H CYS A 89 75.491 31.149 58.250 1.00 0.00 H new ATOM 0 HA CYS A 89 74.729 33.079 60.355 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.675 34.101 58.057 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.097 33.628 57.460 1.00 0.00 H new ATOM 0 HG CYS A 89 73.954 36.351 58.261 1.00 0.00 H new ATOM 1348 N PRO A 90 72.459 31.945 60.336 1.00 0.00 N ATOM 1349 CA PRO A 90 71.246 31.124 60.405 1.00 0.00 C ATOM 1350 C PRO A 90 70.169 31.566 59.406 1.00 0.00 C ATOM 1351 O PRO A 90 69.853 32.756 59.309 1.00 0.00 O ATOM 1352 CB PRO A 90 70.758 31.220 61.854 1.00 0.00 C ATOM 1353 CG PRO A 90 71.311 32.564 62.324 1.00 0.00 C ATOM 1354 CD PRO A 90 72.647 32.655 61.590 1.00 0.00 C ATOM 0 HA PRO A 90 71.465 30.094 60.125 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.670 31.189 61.915 1.00 0.00 H new ATOM 0 HB3 PRO A 90 71.134 30.396 62.460 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.648 33.388 62.061 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.441 32.592 63.406 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.926 33.694 61.413 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.447 32.206 62.178 1.00 0.00 H new ATOM 1362 N ARG A 91 69.600 30.591 58.690 1.00 0.00 N ATOM 1363 CA ARG A 91 68.570 30.696 57.636 1.00 0.00 C ATOM 1364 C ARG A 91 67.515 29.591 57.761 1.00 0.00 C ATOM 1365 O ARG A 91 67.744 28.509 58.303 1.00 0.00 O ATOM 1366 CB ARG A 91 69.213 30.578 56.246 1.00 0.00 C ATOM 1367 CG ARG A 91 70.240 31.676 55.943 1.00 0.00 C ATOM 1368 CD ARG A 91 69.602 33.059 56.116 1.00 0.00 C ATOM 1369 NE ARG A 91 70.541 34.129 55.743 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.182 34.930 56.573 1.00 0.00 C ATOM 1371 NH1 ARG A 91 70.999 34.921 57.865 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.062 35.756 56.095 1.00 0.00 N ATOM 0 H ARG A 91 69.868 29.619 58.842 1.00 0.00 H new ATOM 0 HA ARG A 91 68.092 31.668 57.759 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.699 29.606 56.162 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.429 30.608 55.490 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.097 31.577 56.609 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.613 31.564 54.925 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.705 33.128 55.501 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.289 33.191 57.152 1.00 0.00 H new ATOM 0 HE ARG A 91 70.713 34.265 54.747 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.332 34.271 58.281 1.00 0.00 H new ATOM 0 HH12 ARG A 91 71.523 35.564 58.459 1.00 0.00 H new ATOM 0 HH21 ARG A 91 72.249 35.779 55.092 1.00 0.00 H new ATOM 0 HH22 ARG A 91 72.567 36.382 56.722 1.00 0.00 H new ATOM 1386 N MET A 92 66.359 29.870 57.182 1.00 0.00 N ATOM 1387 CA MET A 92 65.201 29.008 57.070 1.00 0.00 C ATOM 1388 C MET A 92 64.622 29.176 55.658 1.00 0.00 C ATOM 1389 O MET A 92 64.371 30.295 55.216 1.00 0.00 O ATOM 1390 CB MET A 92 64.200 29.466 58.118 1.00 0.00 C ATOM 1391 CG MET A 92 64.320 28.795 59.485 1.00 0.00 C ATOM 1392 SD MET A 92 63.499 29.729 60.806 1.00 0.00 S ATOM 1393 CE MET A 92 64.143 28.834 62.244 1.00 0.00 C ATOM 0 H MET A 92 66.197 30.777 56.745 1.00 0.00 H new ATOM 0 HA MET A 92 65.447 27.958 57.229 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.308 30.542 58.251 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.195 29.291 57.735 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.889 27.795 59.432 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.374 28.675 59.734 1.00 0.00 H new ATOM 0 HE1 MET A 92 63.741 29.274 63.157 1.00 0.00 H new ATOM 0 HE2 MET A 92 63.845 27.787 62.184 1.00 0.00 H new ATOM 0 HE3 MET A 92 65.231 28.902 62.257 1.00 0.00 H new ATOM 1403 N GLU A 93 64.408 28.085 54.940 1.00 0.00 N ATOM 1404 CA GLU A 93 63.864 28.088 53.574 1.00 0.00 C ATOM 1405 C GLU A 93 62.673 27.123 53.444 1.00 0.00 C ATOM 1406 O GLU A 93 62.522 26.181 54.232 1.00 0.00 O ATOM 1407 CB GLU A 93 65.029 27.918 52.588 1.00 0.00 C ATOM 1408 CG GLU A 93 64.691 27.503 51.152 1.00 0.00 C ATOM 1409 CD GLU A 93 64.752 25.979 50.957 1.00 0.00 C ATOM 1410 OE1 GLU A 93 63.887 25.275 51.520 1.00 0.00 O ATOM 1411 OE2 GLU A 93 65.678 25.509 50.250 1.00 0.00 O ATOM 0 H GLU A 93 64.609 27.148 55.290 1.00 0.00 H new ATOM 0 HA GLU A 93 63.407 29.042 53.313 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.573 28.862 52.545 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.712 27.175 53.000 1.00 0.00 H new ATOM 0 HG2 GLU A 93 63.693 27.860 50.898 1.00 0.00 H new ATOM 0 HG3 GLU A 93 65.386 27.984 50.464 1.00 0.00 H new ATOM 1418 N VAL A 94 61.783 27.425 52.493 1.00 0.00 N ATOM 1419 CA VAL A 94 60.699 26.550 52.043 1.00 0.00 C ATOM 1420 C VAL A 94 60.762 26.295 50.532 1.00 0.00 C ATOM 1421 O VAL A 94 61.006 27.198 49.719 1.00 0.00 O ATOM 1422 CB VAL A 94 59.304 27.033 52.486 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.205 27.198 54.008 1.00 0.00 C ATOM 1424 CG2 VAL A 94 58.847 28.359 51.866 1.00 0.00 C ATOM 0 H VAL A 94 61.799 28.317 51.999 1.00 0.00 H new ATOM 0 HA VAL A 94 60.857 25.595 52.544 1.00 0.00 H new ATOM 0 HB VAL A 94 58.650 26.239 52.124 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.204 27.540 54.273 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.401 26.241 54.491 1.00 0.00 H new ATOM 0 HG13 VAL A 94 59.939 27.931 54.343 1.00 0.00 H new ATOM 0 HG21 VAL A 94 57.855 28.613 52.240 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.549 29.148 52.136 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.812 28.260 50.781 1.00 0.00 H new ATOM 1434 N VAL A 95 60.455 25.054 50.156 1.00 0.00 N ATOM 1435 CA VAL A 95 60.304 24.605 48.770 1.00 0.00 C ATOM 1436 C VAL A 95 58.877 24.131 48.540 1.00 0.00 C ATOM 1437 O VAL A 95 58.233 23.605 49.448 1.00 0.00 O ATOM 1438 CB VAL A 95 61.325 23.516 48.364 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.757 23.870 48.770 1.00 0.00 C ATOM 1440 CG2 VAL A 95 61.028 22.129 48.947 1.00 0.00 C ATOM 0 H VAL A 95 60.299 24.306 50.832 1.00 0.00 H new ATOM 0 HA VAL A 95 60.515 25.460 48.128 1.00 0.00 H new ATOM 0 HB VAL A 95 61.227 23.479 47.279 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.431 23.071 48.461 1.00 0.00 H new ATOM 0 HG12 VAL A 95 63.052 24.801 48.287 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.809 23.990 49.852 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.790 21.424 48.615 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.034 22.183 50.036 1.00 0.00 H new ATOM 0 HG23 VAL A 95 60.049 21.793 48.606 1.00 0.00 H new ATOM 1450 N CYS A 96 58.405 24.234 47.308 1.00 0.00 N ATOM 1451 CA CYS A 96 57.226 23.563 46.865 1.00 0.00 C ATOM 1452 C CYS A 96 57.688 22.239 46.255 1.00 0.00 C ATOM 1453 O CYS A 96 58.514 22.203 45.348 1.00 0.00 O ATOM 1454 CB CYS A 96 56.519 24.506 45.907 1.00 0.00 C ATOM 1455 SG CYS A 96 55.093 23.625 45.232 1.00 0.00 S ATOM 0 H CYS A 96 58.850 24.801 46.586 1.00 0.00 H new ATOM 0 HA CYS A 96 56.506 23.318 47.646 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.201 25.411 46.425 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.192 24.816 45.107 1.00 0.00 H new ATOM 0 HG CYS A 96 54.746 24.163 44.101 1.00 0.00 H new ATOM 1460 N LYS A 97 57.192 21.146 46.815 1.00 0.00 N ATOM 1461 CA LYS A 97 57.316 19.777 46.265 1.00 0.00 C ATOM 1462 C LYS A 97 56.231 19.400 45.263 1.00 0.00 C ATOM 1463 O LYS A 97 56.393 18.451 44.494 1.00 0.00 O ATOM 1464 CB LYS A 97 57.446 18.744 47.376 1.00 0.00 C ATOM 1465 CG LYS A 97 58.877 18.694 47.904 1.00 0.00 C ATOM 1466 CD LYS A 97 59.876 18.190 46.848 1.00 0.00 C ATOM 1467 CE LYS A 97 61.190 17.652 47.418 1.00 0.00 C ATOM 1468 NZ LYS A 97 61.899 16.831 46.404 1.00 0.00 N ATOM 0 H LYS A 97 56.673 21.173 47.693 1.00 0.00 H new ATOM 0 HA LYS A 97 58.240 19.778 45.687 1.00 0.00 H new ATOM 0 HB2 LYS A 97 56.762 18.989 48.189 1.00 0.00 H new ATOM 0 HB3 LYS A 97 57.157 17.762 47.001 1.00 0.00 H new ATOM 0 HG2 LYS A 97 59.174 19.689 48.235 1.00 0.00 H new ATOM 0 HG3 LYS A 97 58.916 18.043 48.777 1.00 0.00 H new ATOM 0 HD2 LYS A 97 59.400 17.403 46.263 1.00 0.00 H new ATOM 0 HD3 LYS A 97 60.101 19.006 46.161 1.00 0.00 H new ATOM 0 HE2 LYS A 97 61.824 18.481 47.731 1.00 0.00 H new ATOM 0 HE3 LYS A 97 60.990 17.051 48.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 61.859 15.829 46.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 61.443 16.954 45.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 62.892 17.134 46.345 1.00 0.00 H new ATOM 1482 N GLN A 98 55.161 20.180 45.227 1.00 0.00 N ATOM 1483 CA GLN A 98 54.106 20.060 44.228 1.00 0.00 C ATOM 1484 C GLN A 98 54.600 20.390 42.810 1.00 0.00 C ATOM 1485 O GLN A 98 54.248 19.676 41.864 1.00 0.00 O ATOM 1486 CB GLN A 98 52.852 20.858 44.603 1.00 0.00 C ATOM 1487 CG GLN A 98 52.315 20.515 46.001 1.00 0.00 C ATOM 1488 CD GLN A 98 50.804 20.318 46.009 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.298 19.208 46.095 1.00 0.00 O ATOM 1490 NE2 GLN A 98 50.017 21.358 45.897 1.00 0.00 N ATOM 0 H GLN A 98 54.997 20.927 45.902 1.00 0.00 H new ATOM 0 HA GLN A 98 53.814 19.010 44.218 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.080 21.923 44.559 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.073 20.668 43.864 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.799 19.607 46.361 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.579 21.313 46.695 1.00 0.00 H new ATOM 0 HE21 GLN A 98 50.416 22.294 45.824 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.005 21.232 45.883 1.00 0.00 H new ATOM 1499 N CYS A 99 55.470 21.396 42.701 1.00 0.00 N ATOM 1500 CA CYS A 99 56.092 21.909 41.482 1.00 0.00 C ATOM 1501 C CYS A 99 57.648 21.779 41.433 1.00 0.00 C ATOM 1502 O CYS A 99 58.249 21.920 40.363 1.00 0.00 O ATOM 1503 CB CYS A 99 55.582 23.349 41.320 1.00 0.00 C ATOM 1504 SG CYS A 99 55.480 24.292 42.866 1.00 0.00 S ATOM 0 H CYS A 99 55.780 21.911 43.525 1.00 0.00 H new ATOM 0 HA CYS A 99 55.801 21.294 40.630 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.239 23.878 40.630 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.594 23.321 40.861 1.00 0.00 H new ATOM 0 HG CYS A 99 55.725 23.505 43.871 1.00 0.00 H new ATOM 1509 N GLU A 100 58.281 21.461 42.566 1.00 0.00 N ATOM 1510 CA GLU A 100 59.733 21.332 42.787 1.00 0.00 C ATOM 1511 C GLU A 100 60.547 22.619 42.564 1.00 0.00 C ATOM 1512 O GLU A 100 61.430 22.685 41.706 1.00 0.00 O ATOM 1513 CB GLU A 100 60.315 20.039 42.191 1.00 0.00 C ATOM 1514 CG GLU A 100 59.884 18.880 43.090 1.00 0.00 C ATOM 1515 CD GLU A 100 60.535 17.532 42.774 1.00 0.00 C ATOM 1516 OE1 GLU A 100 60.590 17.136 41.583 1.00 0.00 O ATOM 1517 OE2 GLU A 100 60.981 16.865 43.739 1.00 0.00 O ATOM 0 H GLU A 100 57.756 21.272 43.420 1.00 0.00 H new ATOM 0 HA GLU A 100 59.855 21.201 43.862 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.953 19.890 41.174 1.00 0.00 H new ATOM 0 HB3 GLU A 100 61.402 20.098 42.137 1.00 0.00 H new ATOM 0 HG2 GLU A 100 60.109 19.140 44.124 1.00 0.00 H new ATOM 0 HG3 GLU A 100 58.802 18.768 43.018 1.00 0.00 H new ATOM 1524 N ALA A 101 60.289 23.640 43.392 1.00 0.00 N ATOM 1525 CA ALA A 101 61.067 24.879 43.426 1.00 0.00 C ATOM 1526 C ALA A 101 61.300 25.455 44.833 1.00 0.00 C ATOM 1527 O ALA A 101 60.379 25.553 45.637 1.00 0.00 O ATOM 1528 CB ALA A 101 60.397 25.909 42.505 1.00 0.00 C ATOM 0 H ALA A 101 59.523 23.625 44.065 1.00 0.00 H new ATOM 0 HA ALA A 101 62.068 24.636 43.068 1.00 0.00 H new ATOM 0 HB1 ALA A 101 60.968 26.838 42.522 1.00 0.00 H new ATOM 0 HB2 ALA A 101 60.365 25.521 41.487 1.00 0.00 H new ATOM 0 HB3 ALA A 101 59.382 26.101 42.852 1.00 0.00 H new ATOM 1534 N HIS A 102 62.530 25.909 45.106 1.00 0.00 N ATOM 1535 CA HIS A 102 62.858 26.748 46.260 1.00 0.00 C ATOM 1536 C HIS A 102 62.441 28.205 45.987 1.00 0.00 C ATOM 1537 O HIS A 102 63.021 28.879 45.129 1.00 0.00 O ATOM 1538 CB HIS A 102 64.349 26.585 46.631 1.00 0.00 C ATOM 1539 CG HIS A 102 65.365 26.702 45.510 1.00 0.00 C ATOM 1540 ND1 HIS A 102 66.121 25.671 44.993 1.00 0.00 N ATOM 1541 CD2 HIS A 102 65.820 27.852 44.920 1.00 0.00 C ATOM 1542 CE1 HIS A 102 66.993 26.184 44.110 1.00 0.00 C ATOM 1543 NE2 HIS A 102 66.840 27.516 44.018 1.00 0.00 N ATOM 0 H HIS A 102 63.337 25.698 44.519 1.00 0.00 H new ATOM 0 HA HIS A 102 62.292 26.426 47.134 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.592 27.334 47.385 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.475 25.609 47.099 1.00 0.00 H new ATOM 0 HD2 HIS A 102 65.455 28.849 45.116 1.00 0.00 H new ATOM 0 HE1 HIS A 102 67.716 25.607 43.552 1.00 0.00 H new ATOM 0 HE2 HIS A 102 67.360 28.153 43.415 1.00 0.00 H new ATOM 1551 N LEU A 103 61.393 28.691 46.666 1.00 0.00 N ATOM 1552 CA LEU A 103 60.831 30.018 46.354 1.00 0.00 C ATOM 1553 C LEU A 103 60.358 30.906 47.506 1.00 0.00 C ATOM 1554 O LEU A 103 59.985 32.060 47.273 1.00 0.00 O ATOM 1555 CB LEU A 103 59.853 29.918 45.181 1.00 0.00 C ATOM 1556 CG LEU A 103 58.664 28.973 45.339 1.00 0.00 C ATOM 1557 CD1 LEU A 103 57.656 29.429 46.392 1.00 0.00 C ATOM 1558 CD2 LEU A 103 58.001 28.926 43.974 1.00 0.00 C ATOM 0 H LEU A 103 60.921 28.197 47.423 1.00 0.00 H new ATOM 0 HA LEU A 103 61.697 30.606 46.051 1.00 0.00 H new ATOM 0 HB2 LEU A 103 59.466 30.917 44.979 1.00 0.00 H new ATOM 0 HB3 LEU A 103 60.414 29.609 44.299 1.00 0.00 H new ATOM 0 HG LEU A 103 59.013 27.999 45.683 1.00 0.00 H new ATOM 0 HD11 LEU A 103 56.839 28.710 46.449 1.00 0.00 H new ATOM 0 HD12 LEU A 103 58.149 29.497 47.362 1.00 0.00 H new ATOM 0 HD13 LEU A 103 57.260 30.407 46.117 1.00 0.00 H new ATOM 0 HD21 LEU A 103 57.136 28.264 44.012 1.00 0.00 H new ATOM 0 HD22 LEU A 103 57.679 29.928 43.691 1.00 0.00 H new ATOM 0 HD23 LEU A 103 58.712 28.552 43.237 1.00 0.00 H new ATOM 1570 N GLY A 104 60.453 30.419 48.737 1.00 0.00 N ATOM 1571 CA GLY A 104 60.159 31.142 49.959 1.00 0.00 C ATOM 1572 C GLY A 104 61.257 30.954 50.997 1.00 0.00 C ATOM 1573 O GLY A 104 61.834 29.880 51.120 1.00 0.00 O ATOM 0 H GLY A 104 60.753 29.460 48.914 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.045 32.203 49.737 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.209 30.798 50.367 1.00 0.00 H new ATOM 1577 N HIS A 105 61.573 32.006 51.742 1.00 0.00 N ATOM 1578 CA HIS A 105 62.654 31.990 52.721 1.00 0.00 C ATOM 1579 C HIS A 105 62.390 32.982 53.858 1.00 0.00 C ATOM 1580 O HIS A 105 61.606 33.919 53.708 1.00 0.00 O ATOM 1581 CB HIS A 105 64.023 32.251 52.053 1.00 0.00 C ATOM 1582 CG HIS A 105 64.084 32.409 50.545 1.00 0.00 C ATOM 1583 ND1 HIS A 105 63.301 33.232 49.766 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.956 31.780 49.699 1.00 0.00 C ATOM 1585 CE1 HIS A 105 63.641 33.053 48.484 1.00 0.00 C ATOM 1586 NE2 HIS A 105 64.690 32.222 48.396 1.00 0.00 N ATOM 0 H HIS A 105 61.084 32.899 51.684 1.00 0.00 H new ATOM 0 HA HIS A 105 62.687 30.992 53.157 1.00 0.00 H new ATOM 0 HB2 HIS A 105 64.439 33.156 52.496 1.00 0.00 H new ATOM 0 HB3 HIS A 105 64.685 31.429 52.325 1.00 0.00 H new ATOM 0 HD1 HIS A 105 62.583 33.870 50.109 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.716 31.068 49.985 1.00 0.00 H new ATOM 0 HE1 HIS A 105 63.143 33.511 47.642 1.00 0.00 H new ATOM 1594 N VAL A 106 63.061 32.784 54.990 1.00 0.00 N ATOM 1595 CA VAL A 106 62.944 33.610 56.196 1.00 0.00 C ATOM 1596 C VAL A 106 64.272 33.660 56.963 1.00 0.00 C ATOM 1597 O VAL A 106 65.024 32.686 57.026 1.00 0.00 O ATOM 1598 CB VAL A 106 61.719 33.178 57.035 1.00 0.00 C ATOM 1599 CG1 VAL A 106 61.743 31.731 57.527 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.470 34.058 58.258 1.00 0.00 C ATOM 0 H VAL A 106 63.725 32.018 55.100 1.00 0.00 H new ATOM 0 HA VAL A 106 62.748 34.645 55.915 1.00 0.00 H new ATOM 0 HB VAL A 106 60.913 33.292 56.310 1.00 0.00 H new ATOM 0 HG11 VAL A 106 60.841 31.528 58.105 1.00 0.00 H new ATOM 0 HG12 VAL A 106 61.786 31.057 56.672 1.00 0.00 H new ATOM 0 HG13 VAL A 106 62.619 31.575 58.156 1.00 0.00 H new ATOM 0 HG21 VAL A 106 60.595 33.694 58.796 1.00 0.00 H new ATOM 0 HG22 VAL A 106 62.340 34.024 58.914 1.00 0.00 H new ATOM 0 HG23 VAL A 106 61.297 35.085 57.938 1.00 0.00 H new ATOM 1610 N PHE A 107 64.598 34.851 57.460 1.00 0.00 N ATOM 1611 CA PHE A 107 65.894 35.180 58.075 1.00 0.00 C ATOM 1612 C PHE A 107 65.799 36.195 59.238 1.00 0.00 C ATOM 1613 O PHE A 107 64.889 37.028 59.256 1.00 0.00 O ATOM 1614 CB PHE A 107 66.848 35.700 56.981 1.00 0.00 C ATOM 1615 CG PHE A 107 66.458 37.030 56.348 1.00 0.00 C ATOM 1616 CD1 PHE A 107 65.555 37.070 55.267 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.005 38.235 56.834 1.00 0.00 C ATOM 1618 CE1 PHE A 107 65.198 38.300 54.683 1.00 0.00 C ATOM 1619 CE2 PHE A 107 66.650 39.465 56.249 1.00 0.00 C ATOM 1620 CZ PHE A 107 65.748 39.499 55.172 1.00 0.00 C ATOM 0 H PHE A 107 63.953 35.641 57.448 1.00 0.00 H new ATOM 0 HA PHE A 107 66.279 34.263 58.522 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.845 35.800 57.411 1.00 0.00 H new ATOM 0 HB3 PHE A 107 66.914 34.949 56.194 1.00 0.00 H new ATOM 0 HD1 PHE A 107 65.134 36.152 54.884 1.00 0.00 H new ATOM 0 HD2 PHE A 107 67.700 38.214 57.660 1.00 0.00 H new ATOM 0 HE1 PHE A 107 64.501 38.323 53.858 1.00 0.00 H new ATOM 0 HE2 PHE A 107 67.072 40.384 56.628 1.00 0.00 H new ATOM 0 HZ PHE A 107 65.478 40.442 54.721 1.00 0.00 H new ATOM 1630 N PRO A 108 66.752 36.187 60.196 1.00 0.00 N ATOM 1631 CA PRO A 108 66.866 37.213 61.232 1.00 0.00 C ATOM 1632 C PRO A 108 67.655 38.429 60.727 1.00 0.00 C ATOM 1633 O PRO A 108 68.670 38.294 60.047 1.00 0.00 O ATOM 1634 CB PRO A 108 67.561 36.514 62.400 1.00 0.00 C ATOM 1635 CG PRO A 108 68.496 35.524 61.704 1.00 0.00 C ATOM 1636 CD PRO A 108 67.766 35.158 60.408 1.00 0.00 C ATOM 0 HA PRO A 108 65.896 37.612 61.529 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.112 37.220 63.022 1.00 0.00 H new ATOM 0 HB3 PRO A 108 66.847 36.007 63.049 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.468 35.972 61.500 1.00 0.00 H new ATOM 0 HG3 PRO A 108 68.674 34.644 62.322 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.461 35.120 59.569 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.307 34.172 60.487 1.00 0.00 H new ATOM 1644 N ASP A 109 67.225 39.631 61.107 1.00 0.00 N ATOM 1645 CA ASP A 109 67.778 40.918 60.650 1.00 0.00 C ATOM 1646 C ASP A 109 68.740 41.559 61.667 1.00 0.00 C ATOM 1647 O ASP A 109 68.859 42.783 61.770 1.00 0.00 O ATOM 1648 CB ASP A 109 66.620 41.830 60.245 1.00 0.00 C ATOM 1649 CG ASP A 109 65.821 42.361 61.438 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.489 41.568 62.342 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.533 43.584 61.468 1.00 0.00 O ATOM 0 H ASP A 109 66.454 39.747 61.765 1.00 0.00 H new ATOM 0 HA ASP A 109 68.407 40.745 59.777 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.012 42.673 59.676 1.00 0.00 H new ATOM 0 HB3 ASP A 109 65.950 41.282 59.583 1.00 0.00 H new ATOM 1656 N GLY A 110 69.386 40.695 62.443 1.00 0.00 N ATOM 1657 CA GLY A 110 70.334 41.023 63.519 1.00 0.00 C ATOM 1658 C GLY A 110 69.978 40.451 64.906 1.00 0.00 C ATOM 1659 O GLY A 110 70.854 39.834 65.524 1.00 0.00 O ATOM 0 H GLY A 110 69.260 39.688 62.337 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.321 40.657 63.236 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.407 42.108 63.599 1.00 0.00 H new ATOM 1663 N PRO A 111 68.743 40.641 65.420 1.00 0.00 N ATOM 1664 CA PRO A 111 68.321 40.172 66.741 1.00 0.00 C ATOM 1665 C PRO A 111 67.774 38.727 66.703 1.00 0.00 C ATOM 1666 O PRO A 111 67.968 37.991 65.735 1.00 0.00 O ATOM 1667 CB PRO A 111 67.283 41.217 67.174 1.00 0.00 C ATOM 1668 CG PRO A 111 66.558 41.532 65.871 1.00 0.00 C ATOM 1669 CD PRO A 111 67.677 41.448 64.833 1.00 0.00 C ATOM 0 HA PRO A 111 69.142 40.099 67.455 1.00 0.00 H new ATOM 0 HB2 PRO A 111 66.604 40.823 67.930 1.00 0.00 H new ATOM 0 HB3 PRO A 111 67.754 42.103 67.599 1.00 0.00 H new ATOM 0 HG2 PRO A 111 65.762 40.815 65.667 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.099 42.520 65.892 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.314 40.995 63.910 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.042 42.443 64.578 1.00 0.00 H new ATOM 1677 N LYS A 112 67.090 38.319 67.783 1.00 0.00 N ATOM 1678 CA LYS A 112 66.563 36.961 68.008 1.00 0.00 C ATOM 1679 C LYS A 112 65.628 36.482 66.881 1.00 0.00 C ATOM 1680 O LYS A 112 64.856 37.286 66.350 1.00 0.00 O ATOM 1681 CB LYS A 112 65.849 36.890 69.375 1.00 0.00 C ATOM 1682 CG LYS A 112 66.775 36.559 70.543 1.00 0.00 C ATOM 1683 CD LYS A 112 67.895 37.586 70.713 1.00 0.00 C ATOM 1684 CE LYS A 112 68.398 37.460 72.143 1.00 0.00 C ATOM 1685 NZ LYS A 112 69.462 38.439 72.454 1.00 0.00 N ATOM 0 H LYS A 112 66.880 38.951 68.556 1.00 0.00 H new ATOM 0 HA LYS A 112 67.417 36.284 68.006 1.00 0.00 H new ATOM 0 HB2 LYS A 112 65.363 37.846 69.570 1.00 0.00 H new ATOM 0 HB3 LYS A 112 65.062 36.137 69.324 1.00 0.00 H new ATOM 0 HG2 LYS A 112 66.191 36.508 71.462 1.00 0.00 H new ATOM 0 HG3 LYS A 112 67.212 35.573 70.388 1.00 0.00 H new ATOM 0 HD2 LYS A 112 68.701 37.400 70.003 1.00 0.00 H new ATOM 0 HD3 LYS A 112 67.527 38.594 70.521 1.00 0.00 H new ATOM 0 HE2 LYS A 112 67.565 37.601 72.832 1.00 0.00 H new ATOM 0 HE3 LYS A 112 68.778 36.451 72.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 69.772 38.314 73.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 70.269 38.289 71.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 69.094 39.403 72.327 1.00 0.00 H new ATOM 1699 N PRO A 113 65.576 35.162 66.593 1.00 0.00 N ATOM 1700 CA PRO A 113 64.733 34.564 65.547 1.00 0.00 C ATOM 1701 C PRO A 113 63.212 34.649 65.798 1.00 0.00 C ATOM 1702 O PRO A 113 62.427 34.066 65.047 1.00 0.00 O ATOM 1703 CB PRO A 113 65.232 33.121 65.390 1.00 0.00 C ATOM 1704 CG PRO A 113 65.749 32.790 66.785 1.00 0.00 C ATOM 1705 CD PRO A 113 66.361 34.115 67.237 1.00 0.00 C ATOM 0 HA PRO A 113 64.837 35.136 64.625 1.00 0.00 H new ATOM 0 HB2 PRO A 113 64.432 32.447 65.085 1.00 0.00 H new ATOM 0 HB3 PRO A 113 66.018 33.044 64.638 1.00 0.00 H new ATOM 0 HG2 PRO A 113 64.947 32.467 67.448 1.00 0.00 H new ATOM 0 HG3 PRO A 113 66.488 31.989 66.764 1.00 0.00 H new ATOM 0 HD2 PRO A 113 66.324 34.212 68.322 1.00 0.00 H new ATOM 0 HD3 PRO A 113 67.410 34.179 66.947 1.00 0.00 H new ATOM 1713 N THR A 114 62.764 35.406 66.803 1.00 0.00 N ATOM 1714 CA THR A 114 61.364 35.863 66.894 1.00 0.00 C ATOM 1715 C THR A 114 61.052 36.993 65.901 1.00 0.00 C ATOM 1716 O THR A 114 59.925 37.100 65.434 1.00 0.00 O ATOM 1717 CB THR A 114 60.999 36.378 68.300 1.00 0.00 C ATOM 1718 OG1 THR A 114 61.781 35.793 69.319 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.535 36.075 68.624 1.00 0.00 C ATOM 0 H THR A 114 63.352 35.721 67.574 1.00 0.00 H new ATOM 0 HA THR A 114 60.772 34.979 66.656 1.00 0.00 H new ATOM 0 HB THR A 114 61.187 37.451 68.276 1.00 0.00 H new ATOM 0 HG1 THR A 114 61.510 36.155 70.188 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.298 36.447 69.621 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.892 36.564 67.892 1.00 0.00 H new ATOM 0 HG23 THR A 114 59.370 34.998 68.590 1.00 0.00 H new ATOM 1727 N GLY A 115 62.033 37.846 65.578 1.00 0.00 N ATOM 1728 CA GLY A 115 61.842 39.098 64.828 1.00 0.00 C ATOM 1729 C GLY A 115 62.000 39.010 63.307 1.00 0.00 C ATOM 1730 O GLY A 115 62.188 40.037 62.659 1.00 0.00 O ATOM 0 H GLY A 115 63.006 37.682 65.837 1.00 0.00 H new ATOM 0 HA2 GLY A 115 60.844 39.479 65.047 1.00 0.00 H new ATOM 0 HA3 GLY A 115 62.553 39.834 65.204 1.00 0.00 H new ATOM 1734 N GLN A 116 62.006 37.793 62.764 1.00 0.00 N ATOM 1735 CA GLN A 116 62.437 37.472 61.400 1.00 0.00 C ATOM 1736 C GLN A 116 61.656 38.167 60.272 1.00 0.00 C ATOM 1737 O GLN A 116 60.452 38.404 60.371 1.00 0.00 O ATOM 1738 CB GLN A 116 62.424 35.965 61.197 1.00 0.00 C ATOM 1739 CG GLN A 116 63.509 35.316 62.048 1.00 0.00 C ATOM 1740 CD GLN A 116 63.842 33.939 61.528 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.872 33.703 60.925 1.00 0.00 O ATOM 1742 NE2 GLN A 116 62.976 32.979 61.691 1.00 0.00 N ATOM 0 H GLN A 116 61.699 36.969 63.281 1.00 0.00 H new ATOM 0 HA GLN A 116 63.448 37.871 61.321 1.00 0.00 H new ATOM 0 HB2 GLN A 116 61.448 35.562 61.467 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.586 35.730 60.145 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.404 35.939 62.042 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.174 35.248 63.083 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.106 33.157 62.194 1.00 0.00 H new ATOM 0 HE22 GLN A 116 63.168 32.050 61.316 1.00 0.00 H new ATOM 1751 N ARG A 117 62.343 38.398 59.147 1.00 0.00 N ATOM 1752 CA ARG A 117 61.782 38.860 57.881 1.00 0.00 C ATOM 1753 C ARG A 117 61.745 37.693 56.912 1.00 0.00 C ATOM 1754 O ARG A 117 62.697 36.925 56.793 1.00 0.00 O ATOM 1755 CB ARG A 117 62.619 39.995 57.278 1.00 0.00 C ATOM 1756 CG ARG A 117 62.773 41.195 58.215 1.00 0.00 C ATOM 1757 CD ARG A 117 63.504 42.320 57.482 1.00 0.00 C ATOM 1758 NE ARG A 117 63.994 43.324 58.434 1.00 0.00 N ATOM 1759 CZ ARG A 117 64.828 44.301 58.152 1.00 0.00 C ATOM 1760 NH1 ARG A 117 65.216 44.593 56.948 1.00 0.00 N ATOM 1761 NH2 ARG A 117 65.321 44.992 59.128 1.00 0.00 N ATOM 0 H ARG A 117 63.352 38.260 59.097 1.00 0.00 H new ATOM 0 HA ARG A 117 60.778 39.243 58.063 1.00 0.00 H new ATOM 0 HB2 ARG A 117 63.607 39.613 57.023 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.155 40.325 56.349 1.00 0.00 H new ATOM 0 HG2 ARG A 117 61.794 41.539 58.548 1.00 0.00 H new ATOM 0 HG3 ARG A 117 63.329 40.905 59.107 1.00 0.00 H new ATOM 0 HD2 ARG A 117 64.340 41.909 56.916 1.00 0.00 H new ATOM 0 HD3 ARG A 117 62.832 42.790 56.763 1.00 0.00 H new ATOM 0 HE ARG A 117 63.659 43.258 59.395 1.00 0.00 H new ATOM 0 HH11 ARG A 117 64.871 44.051 56.156 1.00 0.00 H new ATOM 0 HH12 ARG A 117 65.866 45.364 56.794 1.00 0.00 H new ATOM 0 HH21 ARG A 117 65.061 44.774 60.090 1.00 0.00 H new ATOM 0 HH22 ARG A 117 65.970 45.755 58.936 1.00 0.00 H new ATOM 1775 N PHE A 118 60.649 37.585 56.187 1.00 0.00 N ATOM 1776 CA PHE A 118 60.501 36.660 55.082 1.00 0.00 C ATOM 1777 C PHE A 118 60.938 37.337 53.779 1.00 0.00 C ATOM 1778 O PHE A 118 60.966 38.564 53.678 1.00 0.00 O ATOM 1779 CB PHE A 118 59.051 36.193 55.013 1.00 0.00 C ATOM 1780 CG PHE A 118 58.545 35.366 56.184 1.00 0.00 C ATOM 1781 CD1 PHE A 118 58.209 35.976 57.409 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.350 33.978 56.030 1.00 0.00 C ATOM 1783 CE1 PHE A 118 57.713 35.204 58.474 1.00 0.00 C ATOM 1784 CE2 PHE A 118 57.857 33.205 57.097 1.00 0.00 C ATOM 1785 CZ PHE A 118 57.540 33.819 58.321 1.00 0.00 C ATOM 0 H PHE A 118 59.818 38.152 56.354 1.00 0.00 H new ATOM 0 HA PHE A 118 61.136 35.787 55.232 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.414 37.072 54.917 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.925 35.607 54.103 1.00 0.00 H new ATOM 0 HD1 PHE A 118 58.333 37.042 57.530 1.00 0.00 H new ATOM 0 HD2 PHE A 118 58.581 33.505 55.087 1.00 0.00 H new ATOM 0 HE1 PHE A 118 57.464 35.677 59.412 1.00 0.00 H new ATOM 0 HE2 PHE A 118 57.722 32.140 56.976 1.00 0.00 H new ATOM 0 HZ PHE A 118 57.164 33.227 59.142 1.00 0.00 H new ATOM 1795 N CYS A 119 61.237 36.544 52.761 1.00 0.00 N ATOM 1796 CA CYS A 119 61.401 36.982 51.374 1.00 0.00 C ATOM 1797 C CYS A 119 61.013 35.854 50.392 1.00 0.00 C ATOM 1798 O CYS A 119 61.055 34.672 50.737 1.00 0.00 O ATOM 1799 CB CYS A 119 62.828 37.520 51.175 1.00 0.00 C ATOM 1800 SG CYS A 119 64.061 36.187 51.166 1.00 0.00 S ATOM 0 H CYS A 119 61.378 35.541 52.877 1.00 0.00 H new ATOM 0 HA CYS A 119 60.719 37.803 51.153 1.00 0.00 H new ATOM 0 HB2 CYS A 119 62.881 38.069 50.235 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.064 38.227 51.971 1.00 0.00 H new ATOM 0 HG CYS A 119 63.648 35.219 50.403 1.00 0.00 H new ATOM 1806 N ILE A 120 60.631 36.195 49.163 1.00 0.00 N ATOM 1807 CA ILE A 120 60.189 35.277 48.100 1.00 0.00 C ATOM 1808 C ILE A 120 61.145 35.393 46.893 1.00 0.00 C ATOM 1809 O ILE A 120 61.909 36.351 46.774 1.00 0.00 O ATOM 1810 CB ILE A 120 58.722 35.621 47.743 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.705 35.266 48.847 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.198 35.130 46.382 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.305 33.786 48.936 1.00 0.00 C ATOM 0 H ILE A 120 60.619 37.169 48.860 1.00 0.00 H new ATOM 0 HA ILE A 120 60.221 34.238 48.428 1.00 0.00 H new ATOM 0 HB ILE A 120 58.796 36.705 47.656 1.00 0.00 H new ATOM 0 HG12 ILE A 120 58.120 35.569 49.808 1.00 0.00 H new ATOM 0 HG13 ILE A 120 56.803 35.858 48.688 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.160 35.438 46.259 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.801 35.561 45.583 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.261 34.043 46.338 1.00 0.00 H new ATOM 0 HD11 ILE A 120 56.587 33.651 49.745 1.00 0.00 H new ATOM 0 HD12 ILE A 120 56.853 33.474 47.994 1.00 0.00 H new ATOM 0 HD13 ILE A 120 58.190 33.181 49.132 1.00 0.00 H new ATOM 1825 N ASN A 121 61.094 34.451 45.949 1.00 0.00 N ATOM 1826 CA ASN A 121 61.425 34.731 44.553 1.00 0.00 C ATOM 1827 C ASN A 121 60.394 34.173 43.549 1.00 0.00 C ATOM 1828 O ASN A 121 60.390 32.989 43.224 1.00 0.00 O ATOM 1829 CB ASN A 121 62.877 34.344 44.252 1.00 0.00 C ATOM 1830 CG ASN A 121 63.378 32.959 44.625 1.00 0.00 C ATOM 1831 OD1 ASN A 121 64.404 32.853 45.273 1.00 0.00 O ATOM 1832 ND2 ASN A 121 62.762 31.891 44.187 1.00 0.00 N ATOM 0 H ASN A 121 60.825 33.484 46.129 1.00 0.00 H new ATOM 0 HA ASN A 121 61.354 35.809 44.408 1.00 0.00 H new ATOM 0 HB2 ASN A 121 63.032 34.469 43.180 1.00 0.00 H new ATOM 0 HB3 ASN A 121 63.518 35.069 44.754 1.00 0.00 H new ATOM 0 HD21 ASN A 121 63.141 30.965 44.388 1.00 0.00 H new ATOM 0 HD22 ASN A 121 61.903 31.984 43.645 1.00 0.00 H new ATOM 1839 N SER A 122 59.553 35.055 43.001 1.00 0.00 N ATOM 1840 CA SER A 122 58.353 34.729 42.205 1.00 0.00 C ATOM 1841 C SER A 122 58.605 34.234 40.769 1.00 0.00 C ATOM 1842 O SER A 122 57.713 34.317 39.931 1.00 0.00 O ATOM 1843 CB SER A 122 57.405 35.941 42.171 1.00 0.00 C ATOM 1844 OG SER A 122 57.305 36.547 43.448 1.00 0.00 O ATOM 0 H SER A 122 59.691 36.061 43.101 1.00 0.00 H new ATOM 0 HA SER A 122 57.906 33.878 42.720 1.00 0.00 H new ATOM 0 HB2 SER A 122 57.768 36.670 41.447 1.00 0.00 H new ATOM 0 HB3 SER A 122 56.417 35.624 41.837 1.00 0.00 H new ATOM 0 HG SER A 122 56.698 37.315 43.399 1.00 0.00 H new ATOM 1850 N VAL A 123 59.803 33.723 40.465 1.00 0.00 N ATOM 1851 CA VAL A 123 60.285 33.375 39.105 1.00 0.00 C ATOM 1852 C VAL A 123 59.436 32.332 38.366 1.00 0.00 C ATOM 1853 O VAL A 123 59.487 32.229 37.146 1.00 0.00 O ATOM 1854 CB VAL A 123 61.756 32.932 39.210 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.940 31.545 39.839 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.512 33.006 37.882 1.00 0.00 C ATOM 0 H VAL A 123 60.500 33.529 41.184 1.00 0.00 H new ATOM 0 HA VAL A 123 60.191 34.270 38.491 1.00 0.00 H new ATOM 0 HB VAL A 123 62.196 33.664 39.888 1.00 0.00 H new ATOM 0 HG11 VAL A 123 63.002 31.302 39.879 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.529 31.546 40.849 1.00 0.00 H new ATOM 0 HG13 VAL A 123 61.420 30.800 39.236 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.541 32.680 38.031 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.028 32.358 37.151 1.00 0.00 H new ATOM 0 HG23 VAL A 123 62.506 34.033 37.517 1.00 0.00 H new ATOM 1866 N ALA A 124 58.653 31.583 39.133 1.00 0.00 N ATOM 1867 CA ALA A 124 57.807 30.467 38.686 1.00 0.00 C ATOM 1868 C ALA A 124 56.299 30.621 39.008 1.00 0.00 C ATOM 1869 O ALA A 124 55.565 29.632 39.012 1.00 0.00 O ATOM 1870 CB ALA A 124 58.404 29.170 39.254 1.00 0.00 C ATOM 0 H ALA A 124 58.583 31.741 40.138 1.00 0.00 H new ATOM 0 HA ALA A 124 57.818 30.449 37.596 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.797 28.321 38.939 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.422 29.045 38.884 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.418 29.222 40.343 1.00 0.00 H new ATOM 1876 N LEU A 125 55.824 31.839 39.316 1.00 0.00 N ATOM 1877 CA LEU A 125 54.489 32.091 39.865 1.00 0.00 C ATOM 1878 C LEU A 125 53.634 33.017 38.979 1.00 0.00 C ATOM 1879 O LEU A 125 54.134 33.841 38.213 1.00 0.00 O ATOM 1880 CB LEU A 125 54.616 32.679 41.286 1.00 0.00 C ATOM 1881 CG LEU A 125 55.451 31.877 42.305 1.00 0.00 C ATOM 1882 CD1 LEU A 125 55.417 32.580 43.664 1.00 0.00 C ATOM 1883 CD2 LEU A 125 54.925 30.462 42.520 1.00 0.00 C ATOM 0 H LEU A 125 56.371 32.690 39.186 1.00 0.00 H new ATOM 0 HA LEU A 125 53.970 31.133 39.899 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.050 33.675 41.202 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.612 32.801 41.693 1.00 0.00 H new ATOM 0 HG LEU A 125 56.460 31.820 41.896 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.008 32.012 44.383 1.00 0.00 H new ATOM 0 HD12 LEU A 125 55.832 33.583 43.565 1.00 0.00 H new ATOM 0 HD13 LEU A 125 54.387 32.647 44.013 1.00 0.00 H new ATOM 0 HD21 LEU A 125 55.553 29.947 43.247 1.00 0.00 H new ATOM 0 HD22 LEU A 125 53.901 30.507 42.892 1.00 0.00 H new ATOM 0 HD23 LEU A 125 54.944 29.919 41.575 1.00 0.00 H new ATOM 1895 N LYS A 126 52.317 32.916 39.151 1.00 0.00 N ATOM 1896 CA LYS A 126 51.286 33.869 38.713 1.00 0.00 C ATOM 1897 C LYS A 126 50.746 34.689 39.895 1.00 0.00 C ATOM 1898 O LYS A 126 50.895 34.313 41.057 1.00 0.00 O ATOM 1899 CB LYS A 126 50.159 33.110 38.012 1.00 0.00 C ATOM 1900 CG LYS A 126 50.635 32.714 36.617 1.00 0.00 C ATOM 1901 CD LYS A 126 50.681 33.858 35.597 1.00 0.00 C ATOM 1902 CE LYS A 126 52.051 33.863 34.908 1.00 0.00 C ATOM 1903 NZ LYS A 126 51.961 34.214 33.470 1.00 0.00 N ATOM 0 H LYS A 126 51.910 32.114 39.632 1.00 0.00 H new ATOM 0 HA LYS A 126 51.733 34.573 38.011 1.00 0.00 H new ATOM 0 HB2 LYS A 126 49.886 32.224 38.585 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.267 33.733 37.945 1.00 0.00 H new ATOM 0 HG2 LYS A 126 51.632 32.281 36.699 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.979 31.933 36.234 1.00 0.00 H new ATOM 0 HD2 LYS A 126 49.889 33.735 34.858 1.00 0.00 H new ATOM 0 HD3 LYS A 126 50.507 34.812 36.094 1.00 0.00 H new ATOM 0 HE2 LYS A 126 52.705 34.574 35.412 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.510 32.880 35.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 52.912 34.204 33.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 51.359 33.521 32.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 51.549 35.163 33.370 1.00 0.00 H new ATOM 1917 N PHE A 127 50.101 35.814 39.601 1.00 0.00 N ATOM 1918 CA PHE A 127 49.482 36.701 40.584 1.00 0.00 C ATOM 1919 C PHE A 127 48.165 37.280 40.050 1.00 0.00 C ATOM 1920 O PHE A 127 48.048 37.541 38.851 1.00 0.00 O ATOM 1921 CB PHE A 127 50.480 37.805 40.958 1.00 0.00 C ATOM 1922 CG PHE A 127 50.954 38.664 39.794 1.00 0.00 C ATOM 1923 CD1 PHE A 127 52.061 38.260 39.020 1.00 0.00 C ATOM 1924 CD2 PHE A 127 50.273 39.852 39.464 1.00 0.00 C ATOM 1925 CE1 PHE A 127 52.467 39.024 37.911 1.00 0.00 C ATOM 1926 CE2 PHE A 127 50.685 40.622 38.361 1.00 0.00 C ATOM 1927 CZ PHE A 127 51.775 40.203 37.580 1.00 0.00 C ATOM 0 H PHE A 127 49.991 36.145 38.642 1.00 0.00 H new ATOM 0 HA PHE A 127 49.233 36.135 41.482 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.020 38.453 41.704 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.349 37.345 41.428 1.00 0.00 H new ATOM 0 HD1 PHE A 127 52.599 37.360 39.280 1.00 0.00 H new ATOM 0 HD2 PHE A 127 49.431 40.173 40.060 1.00 0.00 H new ATOM 0 HE1 PHE A 127 53.309 38.706 37.314 1.00 0.00 H new ATOM 0 HE2 PHE A 127 50.163 41.535 38.115 1.00 0.00 H new ATOM 0 HZ PHE A 127 52.082 40.787 36.725 1.00 0.00 H new ATOM 1937 N LYS A 128 47.183 37.483 40.935 1.00 0.00 N ATOM 1938 CA LYS A 128 45.858 38.038 40.614 1.00 0.00 C ATOM 1939 C LYS A 128 45.263 38.840 41.790 1.00 0.00 C ATOM 1940 O LYS A 128 45.614 38.568 42.942 1.00 0.00 O ATOM 1941 CB LYS A 128 44.936 36.901 40.138 1.00 0.00 C ATOM 1942 CG LYS A 128 44.747 35.754 41.144 1.00 0.00 C ATOM 1943 CD LYS A 128 43.837 34.673 40.546 1.00 0.00 C ATOM 1944 CE LYS A 128 43.650 33.513 41.527 1.00 0.00 C ATOM 1945 NZ LYS A 128 42.601 32.581 41.056 1.00 0.00 N ATOM 0 H LYS A 128 47.289 37.260 41.925 1.00 0.00 H new ATOM 0 HA LYS A 128 45.960 38.759 39.803 1.00 0.00 H new ATOM 0 HB2 LYS A 128 43.959 37.321 39.901 1.00 0.00 H new ATOM 0 HB3 LYS A 128 45.339 36.490 39.213 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.714 35.324 41.403 1.00 0.00 H new ATOM 0 HG3 LYS A 128 44.312 36.137 42.067 1.00 0.00 H new ATOM 0 HD2 LYS A 128 42.867 35.105 40.298 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.268 34.302 39.616 1.00 0.00 H new ATOM 0 HE2 LYS A 128 44.592 32.976 41.644 1.00 0.00 H new ATOM 0 HE3 LYS A 128 43.381 33.903 42.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 42.495 31.804 41.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 41.699 33.090 40.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 42.872 32.193 40.130 1.00 0.00 H new ATOM 1959 N PRO A 129 44.408 39.848 41.538 1.00 0.00 N ATOM 1960 CA PRO A 129 43.853 40.697 42.590 1.00 0.00 C ATOM 1961 C PRO A 129 42.647 40.069 43.304 1.00 0.00 C ATOM 1962 O PRO A 129 42.107 39.049 42.886 1.00 0.00 O ATOM 1963 CB PRO A 129 43.480 42.005 41.887 1.00 0.00 C ATOM 1964 CG PRO A 129 43.037 41.511 40.512 1.00 0.00 C ATOM 1965 CD PRO A 129 43.997 40.352 40.231 1.00 0.00 C ATOM 0 HA PRO A 129 44.579 40.849 43.389 1.00 0.00 H new ATOM 0 HB2 PRO A 129 42.682 42.534 42.407 1.00 0.00 H new ATOM 0 HB3 PRO A 129 44.326 42.689 41.822 1.00 0.00 H new ATOM 0 HG2 PRO A 129 41.998 41.181 40.518 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.118 42.293 39.757 1.00 0.00 H new ATOM 0 HD2 PRO A 129 43.508 39.572 39.648 1.00 0.00 H new ATOM 0 HD3 PRO A 129 44.858 40.689 39.654 1.00 0.00 H new ATOM 1973 N SER A 130 42.228 40.706 44.400 1.00 0.00 N ATOM 1974 CA SER A 130 41.114 40.258 45.258 1.00 0.00 C ATOM 1975 C SER A 130 39.767 40.751 44.766 1.00 0.00 C ATOM 1976 O SER A 130 38.757 40.050 44.774 1.00 0.00 O ATOM 1977 CB SER A 130 41.348 40.808 46.657 1.00 0.00 C ATOM 1978 OG SER A 130 40.847 39.950 47.655 1.00 0.00 O ATOM 0 H SER A 130 42.661 41.569 44.729 1.00 0.00 H new ATOM 0 HA SER A 130 41.092 39.168 45.243 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.416 40.959 46.812 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.872 41.784 46.746 1.00 0.00 H new ATOM 0 HG SER A 130 41.019 40.339 48.538 1.00 0.00 H new ATOM 1984 N LYS A 131 39.778 42.029 44.403 1.00 0.00 N ATOM 1985 CA LYS A 131 38.641 42.795 43.918 1.00 0.00 C ATOM 1986 C LYS A 131 38.108 42.252 42.573 1.00 0.00 C ATOM 1987 O LYS A 131 38.909 41.792 41.758 1.00 0.00 O ATOM 1988 CB LYS A 131 39.054 44.262 43.762 1.00 0.00 C ATOM 1989 CG LYS A 131 39.769 44.896 44.966 1.00 0.00 C ATOM 1990 CD LYS A 131 39.118 44.744 46.346 1.00 0.00 C ATOM 1991 CE LYS A 131 37.701 45.317 46.388 1.00 0.00 C ATOM 1992 NZ LYS A 131 37.316 45.645 47.780 1.00 0.00 N ATOM 0 H LYS A 131 40.630 42.588 44.443 1.00 0.00 H new ATOM 0 HA LYS A 131 37.835 42.704 44.646 1.00 0.00 H new ATOM 0 HB2 LYS A 131 39.707 44.344 42.893 1.00 0.00 H new ATOM 0 HB3 LYS A 131 38.161 44.848 43.546 1.00 0.00 H new ATOM 0 HG2 LYS A 131 40.772 44.473 45.021 1.00 0.00 H new ATOM 0 HG3 LYS A 131 39.883 45.961 44.765 1.00 0.00 H new ATOM 0 HD2 LYS A 131 39.088 43.689 46.617 1.00 0.00 H new ATOM 0 HD3 LYS A 131 39.733 45.247 47.092 1.00 0.00 H new ATOM 0 HE2 LYS A 131 37.646 46.212 45.768 1.00 0.00 H new ATOM 0 HE3 LYS A 131 36.998 44.596 45.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 36.351 46.033 47.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 37.349 44.783 48.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 37.977 46.349 48.166 1.00 0.00 H new