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 37 MET CE :methyl -174:sc= -0.152 (180deg=0) USER MOD Set 1.2: A 39 HIS : no HE2:sc= 1.13 K(o=2.3,f=-13!) USER MOD Set 1.3: A 128 LYS NZ :NH3+ -179:sc= 1.36 (180deg=0) USER MOD Set 2.1: A 92 MET CE :methyl -172:sc= 0 (180deg=-0.092) USER MOD Set 2.2: A 116 GLN : amide:sc= 0.632 K(o=0.63,f=-0.085) USER MOD Set 3.1: A 45 SER OG : rot 129:sc= 0.985 USER MOD Set 3.2: A 98 GLN : amide:sc= 0.897 X(o=1.9,f=1.7) USER MOD Set 4.1: A 40 CYS SG : rot 167:sc= -1.14! USER MOD Set 4.2: A 43 CYS SG : rot -26:sc= -4.63! USER MOD Set 4.3: A 96 CYS SG : rot -162:sc= -1.7! USER MOD Set 4.4: A 99 CYS SG : rot -24:sc= -2.09! USER MOD Set 5.1: A 38 TYR OH : rot 86:sc= 1.52 USER MOD Set 5.2: A 122 SER OG : rot -158:sc= 1.16 USER MOD Single : A 35 THR OG1 : rot 24:sc= 0.11 USER MOD Single : A 42 CYS SG : rot -170:sc= -0.354 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -143:sc= 1.34 (180deg=-0.285) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -42:sc= 0.636 USER MOD Single : A 86 SER OG : rot -42:sc= 0.0788 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0878 X(o=-0.088,f=-0.064) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.304 F(o=-1.1,f=-0.3) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.00811 USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0.0179 X(o=0.018,f=-0.16) USER MOD Single : A 126 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 46.300 44.246 48.182 1.00 0.00 N ATOM 559 CA THR A 35 45.639 43.036 48.669 1.00 0.00 C ATOM 560 C THR A 35 45.243 42.173 47.461 1.00 0.00 C ATOM 561 O THR A 35 45.081 42.677 46.346 1.00 0.00 O ATOM 562 CB THR A 35 44.363 43.392 49.435 1.00 0.00 C ATOM 563 OG1 THR A 35 44.578 44.356 50.430 1.00 0.00 O ATOM 564 CG2 THR A 35 43.740 42.179 50.124 1.00 0.00 C ATOM 0 HA THR A 35 46.322 42.503 49.330 1.00 0.00 H new ATOM 0 HB THR A 35 43.692 43.784 48.671 1.00 0.00 H new ATOM 0 HG1 THR A 35 45.376 44.881 50.210 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.838 42.485 50.653 1.00 0.00 H new ATOM 0 HG22 THR A 35 43.485 41.427 49.377 1.00 0.00 H new ATOM 0 HG23 THR A 35 44.452 41.758 50.834 1.00 0.00 H new ATOM 572 N GLY A 36 45.047 40.873 47.672 1.00 0.00 N ATOM 573 CA GLY A 36 44.698 39.895 46.638 1.00 0.00 C ATOM 574 C GLY A 36 45.093 38.482 47.062 1.00 0.00 C ATOM 575 O GLY A 36 45.121 38.180 48.255 1.00 0.00 O ATOM 0 H GLY A 36 45.129 40.455 48.599 1.00 0.00 H new ATOM 0 HA2 GLY A 36 43.626 39.933 46.444 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.200 40.152 45.705 1.00 0.00 H new ATOM 579 N MET A 37 45.527 37.657 46.113 1.00 0.00 N ATOM 580 CA MET A 37 46.062 36.315 46.320 1.00 0.00 C ATOM 581 C MET A 37 47.368 36.077 45.548 1.00 0.00 C ATOM 582 O MET A 37 47.699 36.765 44.580 1.00 0.00 O ATOM 583 CB MET A 37 45.008 35.258 45.949 1.00 0.00 C ATOM 584 CG MET A 37 44.664 35.324 44.459 1.00 0.00 C ATOM 585 SD MET A 37 43.567 34.019 43.855 1.00 0.00 S ATOM 586 CE MET A 37 44.762 32.668 43.693 1.00 0.00 C ATOM 0 H MET A 37 45.514 37.921 45.128 1.00 0.00 H new ATOM 0 HA MET A 37 46.303 36.223 47.379 1.00 0.00 H new ATOM 0 HB2 MET A 37 45.382 34.264 46.196 1.00 0.00 H new ATOM 0 HB3 MET A 37 44.106 35.415 46.541 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.200 36.289 44.253 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.592 35.288 43.888 1.00 0.00 H new ATOM 0 HE1 MET A 37 44.279 31.808 43.229 1.00 0.00 H new ATOM 0 HE2 MET A 37 45.597 32.993 43.073 1.00 0.00 H new ATOM 0 HE3 MET A 37 45.130 32.388 44.680 1.00 0.00 H new ATOM 596 N TYR A 38 48.052 35.035 45.988 1.00 0.00 N ATOM 597 CA TYR A 38 49.217 34.387 45.397 1.00 0.00 C ATOM 598 C TYR A 38 48.959 32.880 45.275 1.00 0.00 C ATOM 599 O TYR A 38 48.386 32.236 46.158 1.00 0.00 O ATOM 600 CB TYR A 38 50.484 34.652 46.227 1.00 0.00 C ATOM 601 CG TYR A 38 51.481 35.555 45.534 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.359 35.016 44.574 1.00 0.00 C ATOM 603 CD2 TYR A 38 51.528 36.926 45.841 1.00 0.00 C ATOM 604 CE1 TYR A 38 53.276 35.850 43.907 1.00 0.00 C ATOM 605 CE2 TYR A 38 52.436 37.765 45.169 1.00 0.00 C ATOM 606 CZ TYR A 38 53.310 37.230 44.198 1.00 0.00 C ATOM 607 OH TYR A 38 54.142 38.054 43.509 1.00 0.00 O ATOM 0 H TYR A 38 47.780 34.573 46.856 1.00 0.00 H new ATOM 0 HA TYR A 38 49.381 34.807 44.404 1.00 0.00 H new ATOM 0 HB2 TYR A 38 50.198 35.101 47.178 1.00 0.00 H new ATOM 0 HB3 TYR A 38 50.965 33.701 46.456 1.00 0.00 H new ATOM 0 HD1 TYR A 38 52.329 33.960 44.349 1.00 0.00 H new ATOM 0 HD2 TYR A 38 50.868 37.335 46.592 1.00 0.00 H new ATOM 0 HE1 TYR A 38 53.952 35.434 43.174 1.00 0.00 H new ATOM 0 HE2 TYR A 38 52.464 38.820 45.397 1.00 0.00 H new ATOM 0 HH TYR A 38 53.704 38.345 42.682 1.00 0.00 H new ATOM 617 N HIS A 39 49.397 32.325 44.156 1.00 0.00 N ATOM 618 CA HIS A 39 49.237 30.932 43.757 1.00 0.00 C ATOM 619 C HIS A 39 50.439 30.503 42.915 1.00 0.00 C ATOM 620 O HIS A 39 51.239 31.348 42.503 1.00 0.00 O ATOM 621 CB HIS A 39 47.903 30.730 43.005 1.00 0.00 C ATOM 622 CG HIS A 39 47.607 31.591 41.797 1.00 0.00 C ATOM 623 ND1 HIS A 39 48.072 32.859 41.548 1.00 0.00 N ATOM 624 CD2 HIS A 39 46.674 31.319 40.832 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.440 33.342 40.471 1.00 0.00 C ATOM 626 NE2 HIS A 39 46.567 32.443 40.000 1.00 0.00 N ATOM 0 H HIS A 39 49.905 32.867 43.458 1.00 0.00 H new ATOM 0 HA HIS A 39 49.200 30.300 44.644 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.859 29.689 42.686 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.095 30.879 43.721 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.781 33.351 42.093 1.00 0.00 H new ATOM 0 HD2 HIS A 39 46.118 30.399 40.730 1.00 0.00 H new ATOM 0 HE1 HIS A 39 47.610 34.319 40.043 1.00 0.00 H new ATOM 634 N CYS A 40 50.576 29.207 42.674 1.00 0.00 N ATOM 635 CA CYS A 40 51.619 28.671 41.833 1.00 0.00 C ATOM 636 C CYS A 40 51.497 29.141 40.361 1.00 0.00 C ATOM 637 O CYS A 40 50.521 29.760 39.926 1.00 0.00 O ATOM 638 CB CYS A 40 51.525 27.147 41.999 1.00 0.00 C ATOM 639 SG CYS A 40 53.166 26.364 41.891 1.00 0.00 S ATOM 0 H CYS A 40 49.956 28.497 43.064 1.00 0.00 H new ATOM 0 HA CYS A 40 52.604 29.033 42.128 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.071 26.912 42.961 1.00 0.00 H new ATOM 0 HB3 CYS A 40 50.872 26.735 41.229 1.00 0.00 H new ATOM 0 HG CYS A 40 53.088 25.134 42.304 1.00 0.00 H new ATOM 644 N VAL A 41 52.510 28.770 39.590 1.00 0.00 N ATOM 645 CA VAL A 41 52.376 28.537 38.137 1.00 0.00 C ATOM 646 C VAL A 41 52.813 27.122 37.727 1.00 0.00 C ATOM 647 O VAL A 41 52.636 26.736 36.572 1.00 0.00 O ATOM 648 CB VAL A 41 53.061 29.648 37.320 1.00 0.00 C ATOM 649 CG1 VAL A 41 54.559 29.437 37.082 1.00 0.00 C ATOM 650 CG2 VAL A 41 52.394 29.868 35.955 1.00 0.00 C ATOM 0 H VAL A 41 53.455 28.619 39.944 1.00 0.00 H new ATOM 0 HA VAL A 41 51.314 28.591 37.896 1.00 0.00 H new ATOM 0 HB VAL A 41 52.940 30.528 37.952 1.00 0.00 H new ATOM 0 HG11 VAL A 41 54.955 30.268 36.499 1.00 0.00 H new ATOM 0 HG12 VAL A 41 55.076 29.387 38.040 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.713 28.506 36.537 1.00 0.00 H new ATOM 0 HG21 VAL A 41 52.915 30.661 35.419 1.00 0.00 H new ATOM 0 HG22 VAL A 41 52.441 28.947 35.374 1.00 0.00 H new ATOM 0 HG23 VAL A 41 51.352 30.152 36.101 1.00 0.00 H new ATOM 660 N CYS A 42 53.375 26.335 38.652 1.00 0.00 N ATOM 661 CA CYS A 42 54.042 25.074 38.353 1.00 0.00 C ATOM 662 C CYS A 42 53.262 23.835 38.821 1.00 0.00 C ATOM 663 O CYS A 42 53.395 22.782 38.195 1.00 0.00 O ATOM 664 CB CYS A 42 55.441 25.131 38.973 1.00 0.00 C ATOM 665 SG CYS A 42 56.408 26.464 38.207 1.00 0.00 S ATOM 0 H CYS A 42 53.376 26.566 39.646 1.00 0.00 H new ATOM 0 HA CYS A 42 54.103 24.960 37.271 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.365 25.297 40.048 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.948 24.176 38.834 1.00 0.00 H new ATOM 0 HG CYS A 42 57.649 26.372 38.584 1.00 0.00 H new ATOM 671 N CYS A 43 52.440 23.938 39.866 1.00 0.00 N ATOM 672 CA CYS A 43 51.539 22.907 40.339 1.00 0.00 C ATOM 673 C CYS A 43 50.051 23.261 40.061 1.00 0.00 C ATOM 674 O CYS A 43 49.512 22.955 38.992 1.00 0.00 O ATOM 675 CB CYS A 43 51.918 22.623 41.808 1.00 0.00 C ATOM 676 SG CYS A 43 51.956 24.121 42.823 1.00 0.00 S ATOM 0 H CYS A 43 52.388 24.788 40.428 1.00 0.00 H new ATOM 0 HA CYS A 43 51.650 21.973 39.787 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.203 21.919 42.234 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.896 22.143 41.840 1.00 0.00 H new ATOM 0 HG CYS A 43 52.204 25.150 42.069 1.00 0.00 H new ATOM 681 N ASP A 44 49.368 23.847 41.047 1.00 0.00 N ATOM 682 CA ASP A 44 47.905 23.997 41.040 1.00 0.00 C ATOM 683 C ASP A 44 47.376 25.124 41.931 1.00 0.00 C ATOM 684 O ASP A 44 46.596 25.982 41.507 1.00 0.00 O ATOM 685 CB ASP A 44 47.301 22.657 41.502 1.00 0.00 C ATOM 686 CG ASP A 44 45.822 22.498 41.157 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.427 22.828 40.013 1.00 0.00 O ATOM 688 OD2 ASP A 44 45.052 22.003 42.016 1.00 0.00 O ATOM 0 H ASP A 44 49.814 24.234 41.879 1.00 0.00 H new ATOM 0 HA ASP A 44 47.611 24.267 40.026 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.861 21.840 41.047 1.00 0.00 H new ATOM 0 HB3 ASP A 44 47.425 22.566 42.581 1.00 0.00 H new ATOM 693 N SER A 45 47.756 25.051 43.198 1.00 0.00 N ATOM 694 CA SER A 45 47.023 25.619 44.321 1.00 0.00 C ATOM 695 C SER A 45 47.360 27.076 44.685 1.00 0.00 C ATOM 696 O SER A 45 48.478 27.554 44.465 1.00 0.00 O ATOM 697 CB SER A 45 47.157 24.679 45.530 1.00 0.00 C ATOM 698 OG SER A 45 48.124 23.654 45.360 1.00 0.00 O ATOM 0 H SER A 45 48.614 24.578 43.483 1.00 0.00 H new ATOM 0 HA SER A 45 45.984 25.689 43.998 1.00 0.00 H new ATOM 0 HB2 SER A 45 47.418 25.269 46.409 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.188 24.221 45.730 1.00 0.00 H new ATOM 0 HG SER A 45 48.728 23.643 46.132 1.00 0.00 H new ATOM 704 N PRO A 46 46.409 27.801 45.313 1.00 0.00 N ATOM 705 CA PRO A 46 46.720 29.025 46.039 1.00 0.00 C ATOM 706 C PRO A 46 47.579 28.727 47.266 1.00 0.00 C ATOM 707 O PRO A 46 47.392 27.709 47.934 1.00 0.00 O ATOM 708 CB PRO A 46 45.375 29.646 46.400 1.00 0.00 C ATOM 709 CG PRO A 46 44.460 28.429 46.545 1.00 0.00 C ATOM 710 CD PRO A 46 45.005 27.451 45.503 1.00 0.00 C ATOM 0 HA PRO A 46 47.309 29.719 45.440 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.431 30.221 47.324 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.023 30.325 45.623 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.504 28.011 47.551 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.418 28.684 46.351 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.903 26.421 45.845 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.453 27.532 44.567 1.00 0.00 H new ATOM 718 N LEU A 47 48.505 29.641 47.563 1.00 0.00 N ATOM 719 CA LEU A 47 49.527 29.477 48.602 1.00 0.00 C ATOM 720 C LEU A 47 49.360 30.496 49.733 1.00 0.00 C ATOM 721 O LEU A 47 49.270 30.124 50.901 1.00 0.00 O ATOM 722 CB LEU A 47 50.918 29.539 47.941 1.00 0.00 C ATOM 723 CG LEU A 47 52.092 29.298 48.904 1.00 0.00 C ATOM 724 CD1 LEU A 47 52.063 27.918 49.563 1.00 0.00 C ATOM 725 CD2 LEU A 47 53.414 29.450 48.151 1.00 0.00 C ATOM 0 H LEU A 47 48.568 30.536 47.078 1.00 0.00 H new ATOM 0 HA LEU A 47 49.412 28.503 49.077 1.00 0.00 H new ATOM 0 HB2 LEU A 47 50.961 28.798 47.143 1.00 0.00 H new ATOM 0 HB3 LEU A 47 51.042 30.516 47.475 1.00 0.00 H new ATOM 0 HG LEU A 47 51.998 30.041 49.696 1.00 0.00 H new ATOM 0 HD11 LEU A 47 52.919 27.815 50.230 1.00 0.00 H new ATOM 0 HD12 LEU A 47 51.142 27.808 50.136 1.00 0.00 H new ATOM 0 HD13 LEU A 47 52.107 27.147 48.794 1.00 0.00 H new ATOM 0 HD21 LEU A 47 54.245 29.279 48.836 1.00 0.00 H new ATOM 0 HD22 LEU A 47 53.456 28.723 47.340 1.00 0.00 H new ATOM 0 HD23 LEU A 47 53.485 30.457 47.740 1.00 0.00 H new ATOM 737 N PHE A 48 49.269 31.785 49.393 1.00 0.00 N ATOM 738 CA PHE A 48 49.069 32.851 50.372 1.00 0.00 C ATOM 739 C PHE A 48 48.206 33.987 49.816 1.00 0.00 C ATOM 740 O PHE A 48 48.065 34.162 48.608 1.00 0.00 O ATOM 741 CB PHE A 48 50.411 33.330 50.954 1.00 0.00 C ATOM 742 CG PHE A 48 51.339 34.104 50.032 1.00 0.00 C ATOM 743 CD1 PHE A 48 52.208 33.419 49.161 1.00 0.00 C ATOM 744 CD2 PHE A 48 51.405 35.508 50.114 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.127 34.133 48.372 1.00 0.00 C ATOM 746 CE2 PHE A 48 52.321 36.224 49.323 1.00 0.00 C ATOM 747 CZ PHE A 48 53.183 35.536 48.451 1.00 0.00 C ATOM 0 H PHE A 48 49.332 32.116 48.430 1.00 0.00 H new ATOM 0 HA PHE A 48 48.502 32.439 51.207 1.00 0.00 H new ATOM 0 HB2 PHE A 48 50.198 33.957 51.820 1.00 0.00 H new ATOM 0 HB3 PHE A 48 50.951 32.456 51.318 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.168 32.342 49.099 1.00 0.00 H new ATOM 0 HD2 PHE A 48 50.748 36.038 50.788 1.00 0.00 H new ATOM 0 HE1 PHE A 48 53.791 33.603 47.705 1.00 0.00 H new ATOM 0 HE2 PHE A 48 52.362 37.301 49.385 1.00 0.00 H new ATOM 0 HZ PHE A 48 53.887 36.084 47.843 1.00 0.00 H new ATOM 757 N SER A 49 47.602 34.772 50.697 1.00 0.00 N ATOM 758 CA SER A 49 46.862 35.978 50.354 1.00 0.00 C ATOM 759 C SER A 49 47.839 37.146 50.265 1.00 0.00 C ATOM 760 O SER A 49 48.677 37.343 51.138 1.00 0.00 O ATOM 761 CB SER A 49 45.712 36.225 51.339 1.00 0.00 C ATOM 762 OG SER A 49 46.050 35.852 52.664 1.00 0.00 O ATOM 0 H SER A 49 47.614 34.582 51.699 1.00 0.00 H new ATOM 0 HA SER A 49 46.387 35.861 49.380 1.00 0.00 H new ATOM 0 HB2 SER A 49 45.440 37.280 51.319 1.00 0.00 H new ATOM 0 HB3 SER A 49 44.835 35.663 51.018 1.00 0.00 H new ATOM 0 HG SER A 49 45.290 36.028 53.257 1.00 0.00 H new ATOM 768 N SER A 50 47.717 37.970 49.227 1.00 0.00 N ATOM 769 CA SER A 50 48.547 39.172 49.040 1.00 0.00 C ATOM 770 C SER A 50 48.302 40.239 50.115 1.00 0.00 C ATOM 771 O SER A 50 49.027 41.220 50.210 1.00 0.00 O ATOM 772 CB SER A 50 48.346 39.752 47.647 1.00 0.00 C ATOM 773 OG SER A 50 49.542 39.709 46.891 1.00 0.00 O ATOM 0 H SER A 50 47.035 37.827 48.482 1.00 0.00 H new ATOM 0 HA SER A 50 49.585 38.856 49.146 1.00 0.00 H new ATOM 0 HB2 SER A 50 47.566 39.195 47.128 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.001 40.783 47.727 1.00 0.00 H new ATOM 0 HG SER A 50 49.380 40.087 46.001 1.00 0.00 H new ATOM 779 N GLU A 51 47.310 40.031 50.974 1.00 0.00 N ATOM 780 CA GLU A 51 47.198 40.707 52.259 1.00 0.00 C ATOM 781 C GLU A 51 48.429 40.542 53.149 1.00 0.00 C ATOM 782 O GLU A 51 48.955 41.523 53.668 1.00 0.00 O ATOM 783 CB GLU A 51 45.945 40.173 52.949 1.00 0.00 C ATOM 784 CG GLU A 51 45.038 41.337 53.324 1.00 0.00 C ATOM 785 CD GLU A 51 45.118 41.729 54.805 1.00 0.00 C ATOM 786 OE1 GLU A 51 45.112 40.831 55.679 1.00 0.00 O ATOM 787 OE2 GLU A 51 45.241 42.938 55.104 1.00 0.00 O ATOM 0 H GLU A 51 46.549 39.377 50.793 1.00 0.00 H new ATOM 0 HA GLU A 51 47.126 41.780 52.082 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.418 39.485 52.288 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.220 39.610 53.841 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.300 42.201 52.714 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.008 41.076 53.081 1.00 0.00 H new ATOM 794 N LYS A 52 48.955 39.317 53.229 1.00 0.00 N ATOM 795 CA LYS A 52 50.180 38.957 53.936 1.00 0.00 C ATOM 796 C LYS A 52 51.439 39.558 53.303 1.00 0.00 C ATOM 797 O LYS A 52 52.499 39.470 53.917 1.00 0.00 O ATOM 798 CB LYS A 52 50.285 37.419 53.953 1.00 0.00 C ATOM 799 CG LYS A 52 48.999 36.676 54.367 1.00 0.00 C ATOM 800 CD LYS A 52 48.578 37.003 55.799 1.00 0.00 C ATOM 801 CE LYS A 52 47.365 37.904 55.983 1.00 0.00 C ATOM 802 NZ LYS A 52 47.160 38.143 57.430 1.00 0.00 N ATOM 0 H LYS A 52 48.515 38.514 52.780 1.00 0.00 H new ATOM 0 HA LYS A 52 50.122 39.365 54.945 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.577 37.080 52.959 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.086 37.133 54.635 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.192 36.941 53.684 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.156 35.601 54.273 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.381 36.063 56.315 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.425 37.471 56.301 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.516 38.850 55.462 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.480 37.438 55.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.141 38.170 57.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 47.603 37.376 57.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.592 39.051 57.696 1.00 0.00 H new ATOM 816 N LYS A 53 51.327 40.139 52.098 1.00 0.00 N ATOM 817 CA LYS A 53 52.416 40.750 51.309 1.00 0.00 C ATOM 818 C LYS A 53 52.760 42.143 51.838 1.00 0.00 C ATOM 819 O LYS A 53 51.893 43.017 51.925 1.00 0.00 O ATOM 820 CB LYS A 53 52.099 40.776 49.803 1.00 0.00 C ATOM 821 CG LYS A 53 53.341 41.071 48.940 1.00 0.00 C ATOM 822 CD LYS A 53 53.011 41.117 47.439 1.00 0.00 C ATOM 823 CE LYS A 53 52.104 42.306 47.084 1.00 0.00 C ATOM 824 NZ LYS A 53 52.020 42.539 45.611 1.00 0.00 N ATOM 0 H LYS A 53 50.428 40.200 51.620 1.00 0.00 H new ATOM 0 HA LYS A 53 53.297 40.119 51.430 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.676 39.816 49.508 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.338 41.532 49.609 1.00 0.00 H new ATOM 0 HG2 LYS A 53 53.774 42.024 49.244 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.096 40.306 49.120 1.00 0.00 H new ATOM 0 HD2 LYS A 53 53.936 41.183 46.866 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.521 40.188 47.147 1.00 0.00 H new ATOM 0 HE2 LYS A 53 51.104 42.127 47.478 1.00 0.00 H new ATOM 0 HE3 LYS A 53 52.482 43.205 47.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 51.397 43.350 45.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 52.970 42.737 45.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 51.634 41.692 45.147 1.00 0.00 H new ATOM 838 N TYR A 54 54.044 42.341 52.103 1.00 0.00 N ATOM 839 CA TYR A 54 54.688 43.607 52.433 1.00 0.00 C ATOM 840 C TYR A 54 55.559 43.966 51.222 1.00 0.00 C ATOM 841 O TYR A 54 56.408 43.168 50.829 1.00 0.00 O ATOM 842 CB TYR A 54 55.507 43.494 53.722 1.00 0.00 C ATOM 843 CG TYR A 54 54.731 43.259 55.012 1.00 0.00 C ATOM 844 CD1 TYR A 54 54.003 42.070 55.174 1.00 0.00 C ATOM 845 CD2 TYR A 54 54.777 44.184 56.073 1.00 0.00 C ATOM 846 CE1 TYR A 54 53.296 41.807 56.358 1.00 0.00 C ATOM 847 CE2 TYR A 54 54.094 43.920 57.278 1.00 0.00 C ATOM 848 CZ TYR A 54 53.347 42.733 57.422 1.00 0.00 C ATOM 849 OH TYR A 54 52.687 42.478 58.584 1.00 0.00 O ATOM 0 H TYR A 54 54.710 41.568 52.093 1.00 0.00 H new ATOM 0 HA TYR A 54 53.956 44.391 52.626 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.220 42.678 53.601 1.00 0.00 H new ATOM 0 HB3 TYR A 54 56.087 44.410 53.837 1.00 0.00 H new ATOM 0 HD1 TYR A 54 53.986 41.345 54.374 1.00 0.00 H new ATOM 0 HD2 TYR A 54 55.338 45.100 55.963 1.00 0.00 H new ATOM 0 HE1 TYR A 54 52.716 40.901 56.454 1.00 0.00 H new ATOM 0 HE2 TYR A 54 54.143 44.628 58.092 1.00 0.00 H new ATOM 0 HH TYR A 54 52.829 43.218 59.210 1.00 0.00 H new ATOM 933 N PRO A 61 59.797 42.696 48.243 1.00 0.00 N ATOM 934 CA PRO A 61 58.833 41.593 48.288 1.00 0.00 C ATOM 935 C PRO A 61 59.061 40.597 49.429 1.00 0.00 C ATOM 936 O PRO A 61 59.940 39.732 49.414 1.00 0.00 O ATOM 937 CB PRO A 61 58.887 40.912 46.924 1.00 0.00 C ATOM 938 CG PRO A 61 60.299 41.233 46.443 1.00 0.00 C ATOM 939 CD PRO A 61 60.492 42.654 46.967 1.00 0.00 C ATOM 0 HA PRO A 61 57.843 41.998 48.499 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.720 39.838 47.001 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.129 41.304 46.246 1.00 0.00 H new ATOM 0 HG2 PRO A 61 61.037 40.543 46.852 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.382 41.183 45.357 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.550 42.887 47.089 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.082 43.387 46.273 1.00 0.00 H new ATOM 947 N SER A 62 58.170 40.692 50.403 1.00 0.00 N ATOM 948 CA SER A 62 58.149 39.911 51.623 1.00 0.00 C ATOM 949 C SER A 62 56.716 39.533 52.004 1.00 0.00 C ATOM 950 O SER A 62 55.746 40.139 51.544 1.00 0.00 O ATOM 951 CB SER A 62 58.891 40.687 52.713 1.00 0.00 C ATOM 952 OG SER A 62 58.513 42.048 52.808 1.00 0.00 O ATOM 0 H SER A 62 57.398 41.357 50.357 1.00 0.00 H new ATOM 0 HA SER A 62 58.667 38.963 51.481 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.714 40.203 53.674 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.962 40.630 52.520 1.00 0.00 H new ATOM 0 HG SER A 62 59.024 42.480 53.524 1.00 0.00 H new ATOM 958 N PHE A 63 56.560 38.481 52.805 1.00 0.00 N ATOM 959 CA PHE A 63 55.265 37.946 53.211 1.00 0.00 C ATOM 960 C PHE A 63 55.383 37.378 54.630 1.00 0.00 C ATOM 961 O PHE A 63 56.120 36.431 54.874 1.00 0.00 O ATOM 962 CB PHE A 63 54.735 36.912 52.199 1.00 0.00 C ATOM 963 CG PHE A 63 55.354 35.518 52.129 1.00 0.00 C ATOM 964 CD1 PHE A 63 56.748 35.314 52.077 1.00 0.00 C ATOM 965 CD2 PHE A 63 54.499 34.397 52.082 1.00 0.00 C ATOM 966 CE1 PHE A 63 57.275 34.011 52.007 1.00 0.00 C ATOM 967 CE2 PHE A 63 55.024 33.096 51.991 1.00 0.00 C ATOM 968 CZ PHE A 63 56.415 32.902 51.957 1.00 0.00 C ATOM 0 H PHE A 63 57.348 37.967 53.198 1.00 0.00 H new ATOM 0 HA PHE A 63 54.527 38.748 53.222 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.671 36.783 52.396 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.824 37.355 51.207 1.00 0.00 H new ATOM 0 HD1 PHE A 63 57.416 36.163 52.091 1.00 0.00 H new ATOM 0 HD2 PHE A 63 53.429 34.540 52.116 1.00 0.00 H new ATOM 0 HE1 PHE A 63 58.345 33.863 51.992 1.00 0.00 H new ATOM 0 HE2 PHE A 63 54.359 32.246 51.947 1.00 0.00 H new ATOM 0 HZ PHE A 63 56.821 31.903 51.893 1.00 0.00 H new ATOM 978 N SER A 64 54.687 37.980 55.591 1.00 0.00 N ATOM 979 CA SER A 64 54.790 37.586 57.011 1.00 0.00 C ATOM 980 C SER A 64 54.097 36.245 57.313 1.00 0.00 C ATOM 981 O SER A 64 54.412 35.571 58.299 1.00 0.00 O ATOM 982 CB SER A 64 54.246 38.739 57.863 1.00 0.00 C ATOM 983 OG SER A 64 54.128 38.428 59.235 1.00 0.00 O ATOM 0 H SER A 64 54.039 38.749 55.420 1.00 0.00 H new ATOM 0 HA SER A 64 55.836 37.410 57.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.902 39.602 57.751 1.00 0.00 H new ATOM 0 HB3 SER A 64 53.268 39.031 57.481 1.00 0.00 H new ATOM 0 HG SER A 64 53.778 39.206 59.718 1.00 0.00 H new ATOM 989 N GLU A 65 53.163 35.820 56.454 1.00 0.00 N ATOM 990 CA GLU A 65 52.348 34.627 56.678 1.00 0.00 C ATOM 991 C GLU A 65 52.034 33.881 55.378 1.00 0.00 C ATOM 992 O GLU A 65 51.836 34.484 54.321 1.00 0.00 O ATOM 993 CB GLU A 65 51.030 34.981 57.373 1.00 0.00 C ATOM 994 CG GLU A 65 51.151 35.904 58.593 1.00 0.00 C ATOM 995 CD GLU A 65 49.843 36.014 59.381 1.00 0.00 C ATOM 996 OE1 GLU A 65 48.837 36.524 58.839 1.00 0.00 O ATOM 997 OE2 GLU A 65 49.862 35.610 60.571 1.00 0.00 O ATOM 0 H GLU A 65 52.952 36.300 55.579 1.00 0.00 H new ATOM 0 HA GLU A 65 52.941 33.974 57.318 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.372 35.455 56.645 1.00 0.00 H new ATOM 0 HB3 GLU A 65 50.545 34.056 57.686 1.00 0.00 H new ATOM 0 HG2 GLU A 65 51.936 35.530 59.250 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.457 36.897 58.264 1.00 0.00 H new ATOM 1004 N ALA A 66 51.906 32.561 55.493 1.00 0.00 N ATOM 1005 CA ALA A 66 51.497 31.664 54.419 1.00 0.00 C ATOM 1006 C ALA A 66 50.082 31.133 54.706 1.00 0.00 C ATOM 1007 O ALA A 66 49.925 30.085 55.333 1.00 0.00 O ATOM 1008 CB ALA A 66 52.556 30.563 54.269 1.00 0.00 C ATOM 0 H ALA A 66 52.091 32.071 56.368 1.00 0.00 H new ATOM 0 HA ALA A 66 51.438 32.182 53.462 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.264 29.884 53.468 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.519 31.014 54.028 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.639 30.008 55.204 1.00 0.00 H new ATOM 1162 N GLY A 78 52.309 20.714 53.716 1.00 0.00 N ATOM 1163 CA GLY A 78 52.104 21.325 52.389 1.00 0.00 C ATOM 1164 C GLY A 78 53.406 21.603 51.622 1.00 0.00 C ATOM 1165 O GLY A 78 53.395 21.807 50.413 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.475 20.666 51.790 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.559 22.261 52.511 1.00 0.00 H new ATOM 1169 N ILE A 79 54.537 21.561 52.326 1.00 0.00 N ATOM 1170 CA ILE A 79 55.876 21.985 51.883 1.00 0.00 C ATOM 1171 C ILE A 79 56.945 21.001 52.386 1.00 0.00 C ATOM 1172 O ILE A 79 56.659 20.058 53.132 1.00 0.00 O ATOM 1173 CB ILE A 79 56.174 23.426 52.379 1.00 0.00 C ATOM 1174 CG1 ILE A 79 56.044 23.639 53.903 1.00 0.00 C ATOM 1175 CG2 ILE A 79 55.258 24.425 51.649 1.00 0.00 C ATOM 1176 CD1 ILE A 79 57.199 23.143 54.784 1.00 0.00 C ATOM 0 H ILE A 79 54.549 21.208 53.283 1.00 0.00 H new ATOM 0 HA ILE A 79 55.901 21.985 50.793 1.00 0.00 H new ATOM 0 HB ILE A 79 57.225 23.596 52.146 1.00 0.00 H new ATOM 0 HG12 ILE A 79 55.915 24.706 54.085 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.130 23.146 54.236 1.00 0.00 H new ATOM 0 HG21 ILE A 79 55.469 25.435 51.999 1.00 0.00 H new ATOM 0 HG22 ILE A 79 55.439 24.368 50.576 1.00 0.00 H new ATOM 0 HG23 ILE A 79 54.216 24.180 51.855 1.00 0.00 H new ATOM 0 HD11 ILE A 79 56.977 23.356 55.830 1.00 0.00 H new ATOM 0 HD12 ILE A 79 57.322 22.068 54.651 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.119 23.652 54.498 1.00 0.00 H new ATOM 1188 N LEU A 80 58.191 21.277 52.023 1.00 0.00 N ATOM 1189 CA LEU A 80 59.413 20.795 52.655 1.00 0.00 C ATOM 1190 C LEU A 80 60.289 22.021 52.994 1.00 0.00 C ATOM 1191 O LEU A 80 59.934 23.150 52.662 1.00 0.00 O ATOM 1192 CB LEU A 80 60.119 19.809 51.719 1.00 0.00 C ATOM 1193 CG LEU A 80 59.991 18.329 52.101 1.00 0.00 C ATOM 1194 CD1 LEU A 80 58.749 17.684 51.480 1.00 0.00 C ATOM 1195 CD2 LEU A 80 61.216 17.553 51.623 1.00 0.00 C ATOM 0 H LEU A 80 58.388 21.883 51.227 1.00 0.00 H new ATOM 0 HA LEU A 80 59.201 20.257 53.579 1.00 0.00 H new ATOM 0 HB2 LEU A 80 59.722 19.942 50.713 1.00 0.00 H new ATOM 0 HB3 LEU A 80 61.178 20.066 51.680 1.00 0.00 H new ATOM 0 HG LEU A 80 59.907 18.289 53.187 1.00 0.00 H new ATOM 0 HD11 LEU A 80 58.697 16.636 51.776 1.00 0.00 H new ATOM 0 HD12 LEU A 80 57.856 18.204 51.828 1.00 0.00 H new ATOM 0 HD13 LEU A 80 58.808 17.752 50.394 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.113 16.504 51.900 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.299 17.636 50.539 1.00 0.00 H new ATOM 0 HD23 LEU A 80 62.112 17.965 52.088 1.00 0.00 H new ATOM 1207 N ARG A 81 61.421 21.823 53.671 1.00 0.00 N ATOM 1208 CA ARG A 81 62.260 22.911 54.199 1.00 0.00 C ATOM 1209 C ARG A 81 63.751 22.596 54.205 1.00 0.00 C ATOM 1210 O ARG A 81 64.138 21.495 54.599 1.00 0.00 O ATOM 1211 CB ARG A 81 61.738 23.304 55.595 1.00 0.00 C ATOM 1212 CG ARG A 81 61.715 22.173 56.641 1.00 0.00 C ATOM 1213 CD ARG A 81 62.970 22.122 57.529 1.00 0.00 C ATOM 1214 NE ARG A 81 63.223 20.754 58.009 1.00 0.00 N ATOM 1215 CZ ARG A 81 64.223 20.317 58.749 1.00 0.00 C ATOM 1216 NH1 ARG A 81 65.075 21.095 59.346 1.00 0.00 N ATOM 1217 NH2 ARG A 81 64.403 19.045 58.907 1.00 0.00 N ATOM 0 H ARG A 81 61.789 20.893 53.873 1.00 0.00 H new ATOM 0 HA ARG A 81 62.174 23.761 53.522 1.00 0.00 H new ATOM 0 HB2 ARG A 81 62.355 24.116 55.978 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.726 23.696 55.488 1.00 0.00 H new ATOM 0 HG2 ARG A 81 60.837 22.296 57.276 1.00 0.00 H new ATOM 0 HG3 ARG A 81 61.606 21.218 56.127 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.833 22.479 56.966 1.00 0.00 H new ATOM 0 HD3 ARG A 81 62.845 22.792 58.380 1.00 0.00 H new ATOM 0 HE ARG A 81 62.535 20.053 57.733 1.00 0.00 H new ATOM 0 HH11 ARG A 81 64.991 22.108 59.256 1.00 0.00 H new ATOM 0 HH12 ARG A 81 65.828 20.693 59.905 1.00 0.00 H new ATOM 0 HH21 ARG A 81 63.771 18.381 58.459 1.00 0.00 H new ATOM 0 HH22 ARG A 81 65.176 18.707 59.479 1.00 0.00 H new ATOM 1231 N ARG A 82 64.588 23.583 53.874 1.00 0.00 N ATOM 1232 CA ARG A 82 66.051 23.506 53.970 1.00 0.00 C ATOM 1233 C ARG A 82 66.634 24.658 54.779 1.00 0.00 C ATOM 1234 O ARG A 82 66.996 25.715 54.277 1.00 0.00 O ATOM 1235 CB ARG A 82 66.676 23.358 52.573 1.00 0.00 C ATOM 1236 CG ARG A 82 67.985 22.563 52.656 1.00 0.00 C ATOM 1237 CD ARG A 82 67.699 21.068 52.865 1.00 0.00 C ATOM 1238 NE ARG A 82 68.905 20.236 52.962 1.00 0.00 N ATOM 1239 CZ ARG A 82 69.748 20.113 53.969 1.00 0.00 C ATOM 1240 NH1 ARG A 82 69.864 20.947 54.964 1.00 0.00 N ATOM 1241 NH2 ARG A 82 70.509 19.065 54.022 1.00 0.00 N ATOM 0 H ARG A 82 64.259 24.482 53.522 1.00 0.00 H new ATOM 0 HA ARG A 82 66.313 22.607 54.529 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.977 22.852 51.906 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.867 24.343 52.147 1.00 0.00 H new ATOM 0 HG2 ARG A 82 68.561 22.704 51.741 1.00 0.00 H new ATOM 0 HG3 ARG A 82 68.594 22.940 53.477 1.00 0.00 H new ATOM 0 HD2 ARG A 82 67.111 20.945 53.775 1.00 0.00 H new ATOM 0 HD3 ARG A 82 67.087 20.707 52.039 1.00 0.00 H new ATOM 0 HE ARG A 82 69.121 19.676 52.137 1.00 0.00 H new ATOM 0 HH11 ARG A 82 69.272 21.777 55.006 1.00 0.00 H new ATOM 0 HH12 ARG A 82 70.546 20.770 55.701 1.00 0.00 H new ATOM 0 HH21 ARG A 82 70.449 18.354 53.293 1.00 0.00 H new ATOM 0 HH22 ARG A 82 71.168 18.951 54.793 1.00 0.00 H new ATOM 1255 N LEU A 83 66.813 24.411 56.074 1.00 0.00 N ATOM 1256 CA LEU A 83 67.798 25.137 56.855 1.00 0.00 C ATOM 1257 C LEU A 83 69.190 24.837 56.291 1.00 0.00 C ATOM 1258 O LEU A 83 69.472 23.710 55.873 1.00 0.00 O ATOM 1259 CB LEU A 83 67.761 24.762 58.339 1.00 0.00 C ATOM 1260 CG LEU A 83 66.554 25.243 59.159 1.00 0.00 C ATOM 1261 CD1 LEU A 83 65.200 24.749 58.645 1.00 0.00 C ATOM 1262 CD2 LEU A 83 66.706 24.776 60.606 1.00 0.00 C ATOM 0 H LEU A 83 66.287 23.713 56.600 1.00 0.00 H new ATOM 0 HA LEU A 83 67.565 26.199 56.784 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.807 23.676 58.413 1.00 0.00 H new ATOM 0 HB3 LEU A 83 68.664 25.153 58.808 1.00 0.00 H new ATOM 0 HG LEU A 83 66.554 26.329 59.070 1.00 0.00 H new ATOM 0 HD11 LEU A 83 64.405 25.136 59.283 1.00 0.00 H new ATOM 0 HD12 LEU A 83 65.049 25.099 57.624 1.00 0.00 H new ATOM 0 HD13 LEU A 83 65.180 23.659 58.662 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.851 25.116 61.190 1.00 0.00 H new ATOM 0 HD22 LEU A 83 66.755 23.687 60.634 1.00 0.00 H new ATOM 0 HD23 LEU A 83 67.621 25.191 61.028 1.00 0.00 H new ATOM 1274 N ASP A 84 70.047 25.848 56.315 1.00 0.00 N ATOM 1275 CA ASP A 84 71.401 25.768 55.735 1.00 0.00 C ATOM 1276 C ASP A 84 72.432 26.603 56.530 1.00 0.00 C ATOM 1277 O ASP A 84 73.156 27.451 56.013 1.00 0.00 O ATOM 1278 CB ASP A 84 71.349 26.043 54.211 1.00 0.00 C ATOM 1279 CG ASP A 84 72.237 25.070 53.420 1.00 0.00 C ATOM 1280 OD1 ASP A 84 73.314 24.698 53.933 1.00 0.00 O ATOM 1281 OD2 ASP A 84 71.828 24.639 52.309 1.00 0.00 O ATOM 0 H ASP A 84 69.833 26.752 56.735 1.00 0.00 H new ATOM 0 HA ASP A 84 71.777 24.750 55.836 1.00 0.00 H new ATOM 0 HB2 ASP A 84 70.320 25.959 53.862 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.669 27.066 54.016 1.00 0.00 H new ATOM 1286 N THR A 85 72.488 26.375 57.848 1.00 0.00 N ATOM 1287 CA THR A 85 73.362 27.075 58.824 1.00 0.00 C ATOM 1288 C THR A 85 74.850 26.682 58.747 1.00 0.00 C ATOM 1289 O THR A 85 75.580 26.716 59.739 1.00 0.00 O ATOM 1290 CB THR A 85 72.775 26.959 60.244 1.00 0.00 C ATOM 1291 OG1 THR A 85 73.492 27.779 61.129 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.759 25.538 60.811 1.00 0.00 C ATOM 0 H THR A 85 71.903 25.668 58.293 1.00 0.00 H new ATOM 0 HA THR A 85 73.367 28.128 58.542 1.00 0.00 H new ATOM 0 HB THR A 85 71.736 27.276 60.150 1.00 0.00 H new ATOM 0 HG1 THR A 85 74.451 27.703 60.942 1.00 0.00 H new ATOM 0 HG21 THR A 85 72.330 25.551 61.813 1.00 0.00 H new ATOM 0 HG22 THR A 85 72.158 24.896 60.167 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.778 25.153 60.858 1.00 0.00 H new ATOM 1300 N SER A 86 75.313 26.316 57.554 1.00 0.00 N ATOM 1301 CA SER A 86 76.643 25.742 57.297 1.00 0.00 C ATOM 1302 C SER A 86 77.580 26.683 56.547 1.00 0.00 C ATOM 1303 O SER A 86 78.755 26.388 56.359 1.00 0.00 O ATOM 1304 CB SER A 86 76.539 24.383 56.602 1.00 0.00 C ATOM 1305 OG SER A 86 77.702 23.625 56.882 1.00 0.00 O ATOM 0 H SER A 86 74.756 26.412 56.705 1.00 0.00 H new ATOM 0 HA SER A 86 77.097 25.591 58.276 1.00 0.00 H new ATOM 0 HB2 SER A 86 75.652 23.852 56.948 1.00 0.00 H new ATOM 0 HB3 SER A 86 76.430 24.519 55.526 1.00 0.00 H new ATOM 0 HG SER A 86 78.491 24.203 56.824 1.00 0.00 H new ATOM 1311 N LEU A 87 77.094 27.882 56.230 1.00 0.00 N ATOM 1312 CA LEU A 87 77.906 28.995 55.715 1.00 0.00 C ATOM 1313 C LEU A 87 78.659 29.740 56.835 1.00 0.00 C ATOM 1314 O LEU A 87 79.224 30.814 56.641 1.00 0.00 O ATOM 1315 CB LEU A 87 77.026 29.937 54.872 1.00 0.00 C ATOM 1316 CG LEU A 87 76.202 29.258 53.766 1.00 0.00 C ATOM 1317 CD1 LEU A 87 75.351 30.299 53.037 1.00 0.00 C ATOM 1318 CD2 LEU A 87 77.058 28.529 52.731 1.00 0.00 C ATOM 0 H LEU A 87 76.106 28.117 56.324 1.00 0.00 H new ATOM 0 HA LEU A 87 78.681 28.582 55.069 1.00 0.00 H new ATOM 0 HB2 LEU A 87 76.343 30.462 55.540 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.666 30.691 54.413 1.00 0.00 H new ATOM 0 HG LEU A 87 75.581 28.515 54.266 1.00 0.00 H new ATOM 0 HD11 LEU A 87 74.770 29.811 52.255 1.00 0.00 H new ATOM 0 HD12 LEU A 87 74.675 30.778 53.746 1.00 0.00 H new ATOM 0 HD13 LEU A 87 76.001 31.052 52.590 1.00 0.00 H new ATOM 0 HD21 LEU A 87 76.412 28.073 51.981 1.00 0.00 H new ATOM 0 HD22 LEU A 87 77.729 29.239 52.249 1.00 0.00 H new ATOM 0 HD23 LEU A 87 77.644 27.754 53.225 1.00 0.00 H new ATOM 1330 N GLY A 88 78.578 29.195 58.049 1.00 0.00 N ATOM 1331 CA GLY A 88 78.912 29.872 59.312 1.00 0.00 C ATOM 1332 C GLY A 88 77.820 30.826 59.815 1.00 0.00 C ATOM 1333 O GLY A 88 77.903 31.346 60.926 1.00 0.00 O ATOM 0 H GLY A 88 78.267 28.234 58.190 1.00 0.00 H new ATOM 0 HA2 GLY A 88 79.103 29.119 60.077 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.837 30.433 59.178 1.00 0.00 H new ATOM 1337 N CYS A 89 76.780 31.038 59.008 1.00 0.00 N ATOM 1338 CA CYS A 89 75.654 31.933 59.265 1.00 0.00 C ATOM 1339 C CYS A 89 74.321 31.193 59.018 1.00 0.00 C ATOM 1340 O CYS A 89 74.196 30.535 57.981 1.00 0.00 O ATOM 1341 CB CYS A 89 75.819 33.163 58.364 1.00 0.00 C ATOM 1342 SG CYS A 89 74.558 34.408 58.750 1.00 0.00 S ATOM 0 H CYS A 89 76.697 30.564 58.109 1.00 0.00 H new ATOM 0 HA CYS A 89 75.637 32.259 60.305 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.813 33.590 58.500 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.739 32.868 57.318 1.00 0.00 H new ATOM 0 HG CYS A 89 74.718 35.441 57.977 1.00 0.00 H new ATOM 1348 N PRO A 90 73.335 31.255 59.935 1.00 0.00 N ATOM 1349 CA PRO A 90 72.057 30.569 59.778 1.00 0.00 C ATOM 1350 C PRO A 90 71.136 31.241 58.758 1.00 0.00 C ATOM 1351 O PRO A 90 70.847 32.435 58.836 1.00 0.00 O ATOM 1352 CB PRO A 90 71.419 30.540 61.171 1.00 0.00 C ATOM 1353 CG PRO A 90 72.022 31.763 61.859 1.00 0.00 C ATOM 1354 CD PRO A 90 73.431 31.815 61.273 1.00 0.00 C ATOM 0 HA PRO A 90 72.217 29.566 59.384 1.00 0.00 H new ATOM 0 HB2 PRO A 90 70.332 30.604 61.117 1.00 0.00 H new ATOM 0 HB3 PRO A 90 71.658 29.620 61.704 1.00 0.00 H new ATOM 0 HG2 PRO A 90 71.458 32.670 61.640 1.00 0.00 H new ATOM 0 HG3 PRO A 90 72.038 31.651 62.943 1.00 0.00 H new ATOM 0 HD2 PRO A 90 73.801 32.840 61.240 1.00 0.00 H new ATOM 0 HD3 PRO A 90 74.128 31.243 61.885 1.00 0.00 H new ATOM 1362 N ARG A 91 70.592 30.422 57.854 1.00 0.00 N ATOM 1363 CA ARG A 91 69.470 30.735 56.953 1.00 0.00 C ATOM 1364 C ARG A 91 68.453 29.595 56.978 1.00 0.00 C ATOM 1365 O ARG A 91 68.784 28.453 57.309 1.00 0.00 O ATOM 1366 CB ARG A 91 69.961 30.981 55.516 1.00 0.00 C ATOM 1367 CG ARG A 91 70.823 32.244 55.349 1.00 0.00 C ATOM 1368 CD ARG A 91 70.060 33.493 55.814 1.00 0.00 C ATOM 1369 NE ARG A 91 70.696 34.741 55.357 1.00 0.00 N ATOM 1370 CZ ARG A 91 70.364 35.486 54.319 1.00 0.00 C ATOM 1371 NH1 ARG A 91 69.427 35.178 53.470 1.00 0.00 N ATOM 1372 NH2 ARG A 91 70.973 36.603 54.095 1.00 0.00 N ATOM 0 H ARG A 91 70.938 29.472 57.721 1.00 0.00 H new ATOM 0 HA ARG A 91 68.994 31.651 57.304 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.538 30.116 55.188 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.096 31.056 54.857 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.743 32.140 55.924 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.111 32.357 54.304 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.037 33.451 55.440 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.001 33.496 56.902 1.00 0.00 H new ATOM 0 HE ARG A 91 71.488 35.069 55.909 1.00 0.00 H new ATOM 0 HH11 ARG A 91 68.898 34.314 53.586 1.00 0.00 H new ATOM 0 HH12 ARG A 91 69.222 35.801 52.689 1.00 0.00 H new ATOM 0 HH21 ARG A 91 71.715 36.914 54.722 1.00 0.00 H new ATOM 0 HH22 ARG A 91 70.712 37.174 53.291 1.00 0.00 H new ATOM 1386 N MET A 92 67.227 29.930 56.603 1.00 0.00 N ATOM 1387 CA MET A 92 66.066 29.066 56.564 1.00 0.00 C ATOM 1388 C MET A 92 65.379 29.236 55.208 1.00 0.00 C ATOM 1389 O MET A 92 65.178 30.351 54.729 1.00 0.00 O ATOM 1390 CB MET A 92 65.095 29.462 57.677 1.00 0.00 C ATOM 1391 CG MET A 92 65.095 28.532 58.885 1.00 0.00 C ATOM 1392 SD MET A 92 63.909 28.967 60.187 1.00 0.00 S ATOM 1393 CE MET A 92 64.638 30.501 60.814 1.00 0.00 C ATOM 0 H MET A 92 67.007 30.878 56.298 1.00 0.00 H new ATOM 0 HA MET A 92 66.369 28.028 56.705 1.00 0.00 H new ATOM 0 HB2 MET A 92 65.340 30.470 58.012 1.00 0.00 H new ATOM 0 HB3 MET A 92 64.087 29.499 57.264 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.882 27.519 58.545 1.00 0.00 H new ATOM 0 HG3 MET A 92 66.096 28.520 59.316 1.00 0.00 H new ATOM 0 HE1 MET A 92 64.105 30.817 61.711 1.00 0.00 H new ATOM 0 HE2 MET A 92 65.687 30.333 61.056 1.00 0.00 H new ATOM 0 HE3 MET A 92 64.561 31.278 60.053 1.00 0.00 H new ATOM 1403 N GLU A 93 64.990 28.124 54.618 1.00 0.00 N ATOM 1404 CA GLU A 93 64.250 28.064 53.355 1.00 0.00 C ATOM 1405 C GLU A 93 63.076 27.078 53.456 1.00 0.00 C ATOM 1406 O GLU A 93 63.102 26.147 54.271 1.00 0.00 O ATOM 1407 CB GLU A 93 65.258 27.822 52.224 1.00 0.00 C ATOM 1408 CG GLU A 93 64.708 27.292 50.902 1.00 0.00 C ATOM 1409 CD GLU A 93 64.777 25.762 50.825 1.00 0.00 C ATOM 1410 OE1 GLU A 93 64.016 25.093 51.560 1.00 0.00 O ATOM 1411 OE2 GLU A 93 65.621 25.254 50.051 1.00 0.00 O ATOM 0 H GLU A 93 65.182 27.202 55.010 1.00 0.00 H new ATOM 0 HA GLU A 93 63.756 29.006 53.118 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.773 28.762 52.023 1.00 0.00 H new ATOM 0 HB3 GLU A 93 66.008 27.118 52.585 1.00 0.00 H new ATOM 0 HG2 GLU A 93 63.674 27.615 50.784 1.00 0.00 H new ATOM 0 HG3 GLU A 93 65.273 27.723 50.075 1.00 0.00 H new ATOM 1418 N VAL A 94 62.038 27.320 52.648 1.00 0.00 N ATOM 1419 CA VAL A 94 61.003 26.336 52.313 1.00 0.00 C ATOM 1420 C VAL A 94 60.930 26.062 50.807 1.00 0.00 C ATOM 1421 O VAL A 94 61.072 26.964 49.970 1.00 0.00 O ATOM 1422 CB VAL A 94 59.618 26.681 52.889 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.633 26.684 54.422 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.047 28.023 52.414 1.00 0.00 C ATOM 0 H VAL A 94 61.891 28.224 52.199 1.00 0.00 H new ATOM 0 HA VAL A 94 61.315 25.413 52.803 1.00 0.00 H new ATOM 0 HB VAL A 94 58.969 25.893 52.507 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.639 26.931 54.795 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.922 25.698 54.785 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.349 27.425 54.777 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.070 28.184 52.869 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.721 28.829 52.706 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.944 28.011 51.329 1.00 0.00 H new ATOM 1434 N VAL A 95 60.642 24.801 50.469 1.00 0.00 N ATOM 1435 CA VAL A 95 60.387 24.338 49.101 1.00 0.00 C ATOM 1436 C VAL A 95 58.931 23.927 48.927 1.00 0.00 C ATOM 1437 O VAL A 95 58.308 23.352 49.826 1.00 0.00 O ATOM 1438 CB VAL A 95 61.346 23.221 48.627 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.799 23.495 49.014 1.00 0.00 C ATOM 1440 CG2 VAL A 95 61.009 21.831 49.159 1.00 0.00 C ATOM 0 H VAL A 95 60.578 24.053 51.159 1.00 0.00 H new ATOM 0 HA VAL A 95 60.592 25.192 48.455 1.00 0.00 H new ATOM 0 HB VAL A 95 61.215 23.232 47.545 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.430 22.681 48.658 1.00 0.00 H new ATOM 0 HG12 VAL A 95 63.125 24.432 48.562 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.879 23.568 50.099 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.732 21.110 48.777 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.046 21.839 50.248 1.00 0.00 H new ATOM 0 HG23 VAL A 95 60.008 21.549 48.832 1.00 0.00 H new ATOM 1450 N CYS A 96 58.419 24.160 47.726 1.00 0.00 N ATOM 1451 CA CYS A 96 57.146 23.666 47.290 1.00 0.00 C ATOM 1452 C CYS A 96 57.315 22.172 47.001 1.00 0.00 C ATOM 1453 O CYS A 96 58.025 21.720 46.103 1.00 0.00 O ATOM 1454 CB CYS A 96 56.701 24.512 46.096 1.00 0.00 C ATOM 1455 SG CYS A 96 55.135 23.868 45.446 1.00 0.00 S ATOM 0 H CYS A 96 58.901 24.714 47.018 1.00 0.00 H new ATOM 0 HA CYS A 96 56.354 23.753 48.034 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.581 25.552 46.399 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.465 24.493 45.319 1.00 0.00 H new ATOM 0 HG CYS A 96 54.946 24.321 44.242 1.00 0.00 H new ATOM 1460 N LYS A 97 56.653 21.416 47.856 1.00 0.00 N ATOM 1461 CA LYS A 97 56.495 19.963 47.768 1.00 0.00 C ATOM 1462 C LYS A 97 55.714 19.542 46.510 1.00 0.00 C ATOM 1463 O LYS A 97 55.863 18.410 46.056 1.00 0.00 O ATOM 1464 CB LYS A 97 55.866 19.490 49.092 1.00 0.00 C ATOM 1465 CG LYS A 97 55.731 17.967 49.187 1.00 0.00 C ATOM 1466 CD LYS A 97 54.401 17.433 48.632 1.00 0.00 C ATOM 1467 CE LYS A 97 54.674 16.166 47.816 1.00 0.00 C ATOM 1468 NZ LYS A 97 53.449 15.646 47.179 1.00 0.00 N ATOM 0 H LYS A 97 56.186 21.810 48.673 1.00 0.00 H new ATOM 0 HA LYS A 97 57.460 19.471 47.646 1.00 0.00 H new ATOM 0 HB2 LYS A 97 56.474 19.847 49.923 1.00 0.00 H new ATOM 0 HB3 LYS A 97 54.881 19.943 49.201 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.554 17.503 48.644 1.00 0.00 H new ATOM 0 HG3 LYS A 97 55.827 17.666 50.230 1.00 0.00 H new ATOM 0 HD2 LYS A 97 53.713 17.214 49.449 1.00 0.00 H new ATOM 0 HD3 LYS A 97 53.924 18.188 48.007 1.00 0.00 H new ATOM 0 HE2 LYS A 97 55.418 16.382 47.049 1.00 0.00 H new ATOM 0 HE3 LYS A 97 55.098 15.400 48.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.677 14.788 46.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 52.748 15.416 47.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 53.058 16.367 46.539 1.00 0.00 H new ATOM 1482 N GLN A 98 54.882 20.427 45.963 1.00 0.00 N ATOM 1483 CA GLN A 98 54.027 20.175 44.813 1.00 0.00 C ATOM 1484 C GLN A 98 54.743 20.267 43.457 1.00 0.00 C ATOM 1485 O GLN A 98 54.543 19.390 42.611 1.00 0.00 O ATOM 1486 CB GLN A 98 52.779 21.069 44.849 1.00 0.00 C ATOM 1487 CG GLN A 98 51.904 20.874 46.090 1.00 0.00 C ATOM 1488 CD GLN A 98 50.590 21.640 45.980 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.322 22.599 46.690 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.700 21.245 45.095 1.00 0.00 N ATOM 0 H GLN A 98 54.784 21.375 46.326 1.00 0.00 H new ATOM 0 HA GLN A 98 53.719 19.133 44.901 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.091 22.112 44.798 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.179 20.872 43.960 1.00 0.00 H new ATOM 0 HG2 GLN A 98 51.696 19.813 46.226 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.447 21.208 46.974 1.00 0.00 H new ATOM 0 HE21 GLN A 98 49.900 20.448 44.491 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.810 21.736 45.013 1.00 0.00 H new ATOM 1499 N CYS A 99 55.558 21.300 43.260 1.00 0.00 N ATOM 1500 CA CYS A 99 56.294 21.589 42.030 1.00 0.00 C ATOM 1501 C CYS A 99 57.840 21.476 42.142 1.00 0.00 C ATOM 1502 O CYS A 99 58.530 21.535 41.120 1.00 0.00 O ATOM 1503 CB CYS A 99 55.805 22.943 41.499 1.00 0.00 C ATOM 1504 SG CYS A 99 55.829 24.236 42.768 1.00 0.00 S ATOM 0 H CYS A 99 55.732 21.992 43.988 1.00 0.00 H new ATOM 0 HA CYS A 99 56.073 20.806 41.305 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.432 23.249 40.661 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.791 22.834 41.115 1.00 0.00 H new ATOM 0 HG CYS A 99 55.765 23.689 43.946 1.00 0.00 H new ATOM 1509 N GLU A 100 58.359 21.207 43.344 1.00 0.00 N ATOM 1510 CA GLU A 100 59.745 20.802 43.633 1.00 0.00 C ATOM 1511 C GLU A 100 60.812 21.909 43.464 1.00 0.00 C ATOM 1512 O GLU A 100 61.887 21.693 42.894 1.00 0.00 O ATOM 1513 CB GLU A 100 60.044 19.469 42.924 1.00 0.00 C ATOM 1514 CG GLU A 100 60.963 18.554 43.724 1.00 0.00 C ATOM 1515 CD GLU A 100 61.310 17.323 42.885 1.00 0.00 C ATOM 1516 OE1 GLU A 100 60.395 16.509 42.599 1.00 0.00 O ATOM 1517 OE2 GLU A 100 62.481 17.228 42.446 1.00 0.00 O ATOM 0 H GLU A 100 57.794 21.268 44.191 1.00 0.00 H new ATOM 0 HA GLU A 100 59.825 20.627 44.706 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.105 18.950 42.730 1.00 0.00 H new ATOM 0 HB3 GLU A 100 60.501 19.675 41.956 1.00 0.00 H new ATOM 0 HG2 GLU A 100 61.873 19.087 44.002 1.00 0.00 H new ATOM 0 HG3 GLU A 100 60.476 18.251 44.651 1.00 0.00 H new ATOM 1524 N ALA A 101 60.533 23.106 44.003 1.00 0.00 N ATOM 1525 CA ALA A 101 61.459 24.236 44.002 1.00 0.00 C ATOM 1526 C ALA A 101 61.472 25.042 45.309 1.00 0.00 C ATOM 1527 O ALA A 101 60.443 25.244 45.950 1.00 0.00 O ATOM 1528 CB ALA A 101 61.163 25.126 42.787 1.00 0.00 C ATOM 0 H ALA A 101 59.643 23.313 44.457 1.00 0.00 H new ATOM 0 HA ALA A 101 62.467 23.828 43.928 1.00 0.00 H new ATOM 0 HB1 ALA A 101 61.850 25.972 42.779 1.00 0.00 H new ATOM 0 HB2 ALA A 101 61.290 24.547 41.872 1.00 0.00 H new ATOM 0 HB3 ALA A 101 60.138 25.492 42.845 1.00 0.00 H new ATOM 1534 N HIS A 102 62.658 25.534 45.681 1.00 0.00 N ATOM 1535 CA HIS A 102 62.859 26.488 46.771 1.00 0.00 C ATOM 1536 C HIS A 102 62.426 27.894 46.338 1.00 0.00 C ATOM 1537 O HIS A 102 62.944 28.427 45.352 1.00 0.00 O ATOM 1538 CB HIS A 102 64.315 26.431 47.263 1.00 0.00 C ATOM 1539 CG HIS A 102 65.406 26.719 46.264 1.00 0.00 C ATOM 1540 ND1 HIS A 102 66.206 25.782 45.651 1.00 0.00 N ATOM 1541 CD2 HIS A 102 65.900 27.951 45.934 1.00 0.00 C ATOM 1542 CE1 HIS A 102 67.147 26.430 44.946 1.00 0.00 C ATOM 1543 NE2 HIS A 102 67.006 27.759 45.095 1.00 0.00 N ATOM 0 H HIS A 102 63.528 25.271 45.218 1.00 0.00 H new ATOM 0 HA HIS A 102 62.229 26.216 47.618 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.419 27.139 48.085 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.491 25.437 47.674 1.00 0.00 H new ATOM 0 HD2 HIS A 102 65.508 28.902 46.262 1.00 0.00 H new ATOM 0 HE1 HIS A 102 67.908 25.953 44.346 1.00 0.00 H new ATOM 0 HE2 HIS A 102 67.590 28.485 44.679 1.00 0.00 H new ATOM 1551 N LEU A 103 61.430 28.468 47.026 1.00 0.00 N ATOM 1552 CA LEU A 103 60.761 29.692 46.547 1.00 0.00 C ATOM 1553 C LEU A 103 60.568 30.814 47.565 1.00 0.00 C ATOM 1554 O LEU A 103 60.571 31.999 47.213 1.00 0.00 O ATOM 1555 CB LEU A 103 59.438 29.307 45.854 1.00 0.00 C ATOM 1556 CG LEU A 103 59.598 28.507 44.553 1.00 0.00 C ATOM 1557 CD1 LEU A 103 58.245 28.002 44.061 1.00 0.00 C ATOM 1558 CD2 LEU A 103 60.253 29.321 43.432 1.00 0.00 C ATOM 0 H LEU A 103 61.069 28.110 47.910 1.00 0.00 H new ATOM 0 HA LEU A 103 61.455 30.143 45.838 1.00 0.00 H new ATOM 0 HB2 LEU A 103 58.836 28.723 46.551 1.00 0.00 H new ATOM 0 HB3 LEU A 103 58.880 30.218 45.637 1.00 0.00 H new ATOM 0 HG LEU A 103 60.253 27.669 44.793 1.00 0.00 H new ATOM 0 HD11 LEU A 103 58.381 27.438 43.138 1.00 0.00 H new ATOM 0 HD12 LEU A 103 57.800 27.357 44.819 1.00 0.00 H new ATOM 0 HD13 LEU A 103 57.586 28.850 43.874 1.00 0.00 H new ATOM 0 HD21 LEU A 103 60.340 28.704 42.538 1.00 0.00 H new ATOM 0 HD22 LEU A 103 59.641 30.195 43.212 1.00 0.00 H new ATOM 0 HD23 LEU A 103 61.245 29.643 43.748 1.00 0.00 H new ATOM 1570 N GLY A 104 60.447 30.425 48.819 1.00 0.00 N ATOM 1571 CA GLY A 104 60.256 31.267 49.987 1.00 0.00 C ATOM 1572 C GLY A 104 61.339 31.016 51.024 1.00 0.00 C ATOM 1573 O GLY A 104 61.600 29.871 51.392 1.00 0.00 O ATOM 0 H GLY A 104 60.482 29.437 49.068 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.269 32.316 49.690 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.277 31.072 50.424 1.00 0.00 H new ATOM 1577 N HIS A 105 62.004 32.070 51.479 1.00 0.00 N ATOM 1578 CA HIS A 105 63.168 31.955 52.356 1.00 0.00 C ATOM 1579 C HIS A 105 63.172 33.065 53.417 1.00 0.00 C ATOM 1580 O HIS A 105 62.722 34.176 53.165 1.00 0.00 O ATOM 1581 CB HIS A 105 64.482 31.891 51.543 1.00 0.00 C ATOM 1582 CG HIS A 105 64.396 31.662 50.041 1.00 0.00 C ATOM 1583 ND1 HIS A 105 63.936 30.543 49.393 1.00 0.00 N flip ATOM 1584 CD2 HIS A 105 64.831 32.527 49.058 1.00 0.00 C flip ATOM 1585 CE1 HIS A 105 64.046 30.750 48.013 1.00 0.00 C flip ATOM 1586 NE2 HIS A 105 64.605 31.957 47.862 1.00 0.00 N flip ATOM 0 H HIS A 105 61.753 33.032 51.251 1.00 0.00 H new ATOM 0 HA HIS A 105 63.098 31.011 52.896 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.018 32.826 51.706 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.095 31.094 51.965 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.277 33.497 49.222 1.00 0.00 H new ATOM 0 HE1 HIS A 105 63.741 30.073 47.229 1.00 0.00 H new ATOM 0 HE2 HIS A 105 64.829 32.385 46.963 1.00 0.00 H new ATOM 1594 N VAL A 106 63.666 32.782 54.620 1.00 0.00 N ATOM 1595 CA VAL A 106 63.552 33.634 55.812 1.00 0.00 C ATOM 1596 C VAL A 106 64.892 33.753 56.534 1.00 0.00 C ATOM 1597 O VAL A 106 65.693 32.816 56.610 1.00 0.00 O ATOM 1598 CB VAL A 106 62.393 33.179 56.733 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.473 31.713 57.160 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.275 34.003 58.024 1.00 0.00 C ATOM 0 H VAL A 106 64.178 31.919 54.804 1.00 0.00 H new ATOM 0 HA VAL A 106 63.290 34.641 55.487 1.00 0.00 H new ATOM 0 HB VAL A 106 61.520 33.334 56.100 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.626 31.474 57.803 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.449 31.075 56.277 1.00 0.00 H new ATOM 0 HG13 VAL A 106 63.401 31.543 57.706 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.443 33.629 58.620 1.00 0.00 H new ATOM 0 HG22 VAL A 106 63.199 33.917 58.596 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.100 35.049 57.773 1.00 0.00 H new ATOM 1610 N PHE A 107 65.138 34.957 57.038 1.00 0.00 N ATOM 1611 CA PHE A 107 66.392 35.324 57.724 1.00 0.00 C ATOM 1612 C PHE A 107 66.221 36.331 58.889 1.00 0.00 C ATOM 1613 O PHE A 107 65.235 37.070 58.920 1.00 0.00 O ATOM 1614 CB PHE A 107 67.414 35.827 56.685 1.00 0.00 C ATOM 1615 CG PHE A 107 67.258 37.268 56.232 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.193 37.650 55.394 1.00 0.00 C ATOM 1617 CD2 PHE A 107 68.196 38.235 56.646 1.00 0.00 C ATOM 1618 CE1 PHE A 107 66.064 38.988 54.981 1.00 0.00 C ATOM 1619 CE2 PHE A 107 68.064 39.573 56.238 1.00 0.00 C ATOM 1620 CZ PHE A 107 66.995 39.950 55.408 1.00 0.00 C ATOM 0 H PHE A 107 64.468 35.724 56.986 1.00 0.00 H new ATOM 0 HA PHE A 107 66.762 34.419 58.205 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.414 35.706 57.102 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.354 35.184 55.807 1.00 0.00 H new ATOM 0 HD1 PHE A 107 65.473 36.914 55.068 1.00 0.00 H new ATOM 0 HD2 PHE A 107 69.021 37.946 57.280 1.00 0.00 H new ATOM 0 HE1 PHE A 107 65.248 39.277 54.335 1.00 0.00 H new ATOM 0 HE2 PHE A 107 68.783 40.311 56.562 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.889 40.979 55.098 1.00 0.00 H new ATOM 1630 N PRO A 108 67.156 36.379 59.864 1.00 0.00 N ATOM 1631 CA PRO A 108 67.157 37.364 60.951 1.00 0.00 C ATOM 1632 C PRO A 108 67.797 38.701 60.543 1.00 0.00 C ATOM 1633 O PRO A 108 68.764 38.745 59.783 1.00 0.00 O ATOM 1634 CB PRO A 108 67.925 36.692 62.091 1.00 0.00 C ATOM 1635 CG PRO A 108 68.963 35.850 61.347 1.00 0.00 C ATOM 1636 CD PRO A 108 68.222 35.404 60.085 1.00 0.00 C ATOM 0 HA PRO A 108 66.141 37.631 61.240 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.394 37.423 62.750 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.273 36.076 62.711 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.853 36.431 61.106 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.290 34.998 61.943 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.898 35.368 59.231 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.812 34.402 60.210 1.00 0.00 H new ATOM 1644 N ASP A 109 67.311 39.805 61.109 1.00 0.00 N ATOM 1645 CA ASP A 109 67.723 41.181 60.782 1.00 0.00 C ATOM 1646 C ASP A 109 68.766 41.796 61.733 1.00 0.00 C ATOM 1647 O ASP A 109 69.218 42.930 61.534 1.00 0.00 O ATOM 1648 CB ASP A 109 66.465 42.058 60.666 1.00 0.00 C ATOM 1649 CG ASP A 109 65.755 42.272 62.008 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.814 41.368 62.868 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.170 43.367 62.190 1.00 0.00 O ATOM 0 H ASP A 109 66.594 39.771 61.834 1.00 0.00 H new ATOM 0 HA ASP A 109 68.248 41.137 59.828 1.00 0.00 H new ATOM 0 HB2 ASP A 109 66.742 43.027 60.250 1.00 0.00 H new ATOM 0 HB3 ASP A 109 65.771 41.596 59.964 1.00 0.00 H new ATOM 1656 N GLY A 110 69.165 41.036 62.752 1.00 0.00 N ATOM 1657 CA GLY A 110 70.158 41.409 63.770 1.00 0.00 C ATOM 1658 C GLY A 110 69.754 41.155 65.238 1.00 0.00 C ATOM 1659 O GLY A 110 70.523 40.488 65.936 1.00 0.00 O ATOM 0 H GLY A 110 68.790 40.099 62.901 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.079 40.862 63.568 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.386 42.469 63.655 1.00 0.00 H new ATOM 1663 N PRO A 111 68.612 41.673 65.744 1.00 0.00 N ATOM 1664 CA PRO A 111 68.099 41.431 67.104 1.00 0.00 C ATOM 1665 C PRO A 111 67.539 40.000 67.309 1.00 0.00 C ATOM 1666 O PRO A 111 67.942 39.046 66.638 1.00 0.00 O ATOM 1667 CB PRO A 111 67.068 42.557 67.323 1.00 0.00 C ATOM 1668 CG PRO A 111 66.527 42.816 65.921 1.00 0.00 C ATOM 1669 CD PRO A 111 67.802 42.698 65.095 1.00 0.00 C ATOM 0 HA PRO A 111 68.888 41.464 67.855 1.00 0.00 H new ATOM 0 HB2 PRO A 111 66.278 42.251 68.009 1.00 0.00 H new ATOM 0 HB3 PRO A 111 67.530 43.449 67.747 1.00 0.00 H new ATOM 0 HG2 PRO A 111 65.775 42.084 65.627 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.066 43.800 65.831 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.575 42.421 64.065 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.333 43.649 65.060 1.00 0.00 H new ATOM 1677 N LYS A 112 66.650 39.825 68.300 1.00 0.00 N ATOM 1678 CA LYS A 112 65.929 38.569 68.603 1.00 0.00 C ATOM 1679 C LYS A 112 65.222 37.988 67.355 1.00 0.00 C ATOM 1680 O LYS A 112 64.884 38.741 66.442 1.00 0.00 O ATOM 1681 CB LYS A 112 64.890 38.819 69.722 1.00 0.00 C ATOM 1682 CG LYS A 112 65.365 38.444 71.123 1.00 0.00 C ATOM 1683 CD LYS A 112 66.523 39.332 71.580 1.00 0.00 C ATOM 1684 CE LYS A 112 66.539 39.360 73.108 1.00 0.00 C ATOM 1685 NZ LYS A 112 67.197 38.172 73.702 1.00 0.00 N ATOM 0 H LYS A 112 66.401 40.580 68.939 1.00 0.00 H new ATOM 0 HA LYS A 112 66.667 37.838 68.934 1.00 0.00 H new ATOM 0 HB2 LYS A 112 64.615 39.874 69.716 1.00 0.00 H new ATOM 0 HB3 LYS A 112 63.987 38.253 69.495 1.00 0.00 H new ATOM 0 HG2 LYS A 112 64.537 38.535 71.825 1.00 0.00 H new ATOM 0 HG3 LYS A 112 65.679 37.400 71.134 1.00 0.00 H new ATOM 0 HD2 LYS A 112 67.469 38.947 71.198 1.00 0.00 H new ATOM 0 HD3 LYS A 112 66.406 40.341 71.184 1.00 0.00 H new ATOM 0 HE2 LYS A 112 67.054 40.260 73.444 1.00 0.00 H new ATOM 0 HE3 LYS A 112 65.515 39.423 73.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 67.178 38.247 74.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 66.692 37.312 73.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 68.184 38.123 73.377 1.00 0.00 H new ATOM 1699 N PRO A 113 64.881 36.679 67.335 1.00 0.00 N ATOM 1700 CA PRO A 113 64.106 36.058 66.245 1.00 0.00 C ATOM 1701 C PRO A 113 62.709 36.676 66.014 1.00 0.00 C ATOM 1702 O PRO A 113 62.067 36.398 64.998 1.00 0.00 O ATOM 1703 CB PRO A 113 64.020 34.567 66.604 1.00 0.00 C ATOM 1704 CG PRO A 113 64.199 34.539 68.119 1.00 0.00 C ATOM 1705 CD PRO A 113 65.178 35.684 68.360 1.00 0.00 C ATOM 0 HA PRO A 113 64.608 36.231 65.293 1.00 0.00 H new ATOM 0 HB2 PRO A 113 63.062 34.140 66.308 1.00 0.00 H new ATOM 0 HB3 PRO A 113 64.795 33.990 66.100 1.00 0.00 H new ATOM 0 HG2 PRO A 113 63.255 34.696 68.642 1.00 0.00 H new ATOM 0 HG3 PRO A 113 64.599 33.585 68.462 1.00 0.00 H new ATOM 0 HD2 PRO A 113 65.054 36.102 69.359 1.00 0.00 H new ATOM 0 HD3 PRO A 113 66.209 35.340 68.284 1.00 0.00 H new ATOM 1713 N THR A 114 62.254 37.563 66.903 1.00 0.00 N ATOM 1714 CA THR A 114 61.109 38.466 66.696 1.00 0.00 C ATOM 1715 C THR A 114 61.251 39.333 65.435 1.00 0.00 C ATOM 1716 O THR A 114 60.255 39.577 64.764 1.00 0.00 O ATOM 1717 CB THR A 114 60.951 39.389 67.917 1.00 0.00 C ATOM 1718 OG1 THR A 114 62.214 39.900 68.291 1.00 0.00 O ATOM 1719 CG2 THR A 114 60.402 38.636 69.127 1.00 0.00 C ATOM 0 H THR A 114 62.685 37.679 67.820 1.00 0.00 H new ATOM 0 HA THR A 114 60.230 37.835 66.566 1.00 0.00 H new ATOM 0 HB THR A 114 60.260 40.182 67.631 1.00 0.00 H new ATOM 0 HG1 THR A 114 62.112 40.489 69.068 1.00 0.00 H new ATOM 0 HG21 THR A 114 60.305 39.322 69.969 1.00 0.00 H new ATOM 0 HG22 THR A 114 59.425 38.219 68.884 1.00 0.00 H new ATOM 0 HG23 THR A 114 61.084 37.829 69.394 1.00 0.00 H new ATOM 1727 N GLY A 115 62.470 39.748 65.067 1.00 0.00 N ATOM 1728 CA GLY A 115 62.751 40.620 63.916 1.00 0.00 C ATOM 1729 C GLY A 115 62.898 39.934 62.550 1.00 0.00 C ATOM 1730 O GLY A 115 63.214 40.598 61.563 1.00 0.00 O ATOM 0 H GLY A 115 63.313 39.480 65.575 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.950 41.355 63.843 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.670 41.169 64.122 1.00 0.00 H new ATOM 1734 N GLN A 116 62.686 38.618 62.467 1.00 0.00 N ATOM 1735 CA GLN A 116 62.890 37.834 61.241 1.00 0.00 C ATOM 1736 C GLN A 116 62.067 38.335 60.040 1.00 0.00 C ATOM 1737 O GLN A 116 60.889 38.668 60.164 1.00 0.00 O ATOM 1738 CB GLN A 116 62.665 36.352 61.519 1.00 0.00 C ATOM 1739 CG GLN A 116 63.922 35.788 62.186 1.00 0.00 C ATOM 1740 CD GLN A 116 63.745 34.352 62.618 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.470 33.452 62.223 1.00 0.00 O ATOM 1742 NE2 GLN A 116 62.795 34.095 63.476 1.00 0.00 N ATOM 0 H GLN A 116 62.364 38.058 63.257 1.00 0.00 H new ATOM 0 HA GLN A 116 63.928 37.977 60.942 1.00 0.00 H new ATOM 0 HB2 GLN A 116 61.799 36.215 62.166 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.457 35.820 60.591 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.760 35.856 61.493 1.00 0.00 H new ATOM 0 HG3 GLN A 116 64.175 36.398 63.053 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.189 34.846 63.806 1.00 0.00 H new ATOM 0 HE22 GLN A 116 62.659 33.143 63.816 1.00 0.00 H new ATOM 1751 N ARG A 117 62.692 38.365 58.855 1.00 0.00 N ATOM 1752 CA ARG A 117 62.136 38.876 57.597 1.00 0.00 C ATOM 1753 C ARG A 117 62.008 37.723 56.610 1.00 0.00 C ATOM 1754 O ARG A 117 62.948 36.957 56.395 1.00 0.00 O ATOM 1755 CB ARG A 117 63.010 40.002 57.014 1.00 0.00 C ATOM 1756 CG ARG A 117 63.430 41.097 58.009 1.00 0.00 C ATOM 1757 CD ARG A 117 62.253 41.886 58.596 1.00 0.00 C ATOM 1758 NE ARG A 117 62.694 42.683 59.752 1.00 0.00 N ATOM 1759 CZ ARG A 117 62.359 43.915 60.079 1.00 0.00 C ATOM 1760 NH1 ARG A 117 61.532 44.640 59.384 1.00 0.00 N ATOM 1761 NH2 ARG A 117 62.855 44.444 61.155 1.00 0.00 N ATOM 0 H ARG A 117 63.644 38.017 58.744 1.00 0.00 H new ATOM 0 HA ARG A 117 61.152 39.303 57.790 1.00 0.00 H new ATOM 0 HB2 ARG A 117 63.910 39.557 56.589 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.468 40.470 56.192 1.00 0.00 H new ATOM 0 HG2 ARG A 117 63.990 40.639 58.824 1.00 0.00 H new ATOM 0 HG3 ARG A 117 64.106 41.790 57.508 1.00 0.00 H new ATOM 0 HD2 ARG A 117 61.831 42.541 57.834 1.00 0.00 H new ATOM 0 HD3 ARG A 117 61.463 41.200 58.900 1.00 0.00 H new ATOM 0 HE ARG A 117 63.346 42.220 60.385 1.00 0.00 H new ATOM 0 HH11 ARG A 117 61.107 44.260 58.538 1.00 0.00 H new ATOM 0 HH12 ARG A 117 61.309 45.589 59.685 1.00 0.00 H new ATOM 0 HH21 ARG A 117 63.497 43.907 61.738 1.00 0.00 H new ATOM 0 HH22 ARG A 117 62.603 45.397 61.418 1.00 0.00 H new ATOM 1775 N PHE A 118 60.817 37.596 56.046 1.00 0.00 N ATOM 1776 CA PHE A 118 60.394 36.452 55.247 1.00 0.00 C ATOM 1777 C PHE A 118 60.242 36.884 53.781 1.00 0.00 C ATOM 1778 O PHE A 118 59.346 37.655 53.436 1.00 0.00 O ATOM 1779 CB PHE A 118 59.080 35.912 55.820 1.00 0.00 C ATOM 1780 CG PHE A 118 59.075 35.298 57.217 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.305 36.089 58.362 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.716 33.944 57.383 1.00 0.00 C ATOM 1783 CE1 PHE A 118 59.229 35.526 59.648 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.629 33.381 58.669 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.892 34.170 59.802 1.00 0.00 C ATOM 0 H PHE A 118 60.093 38.309 56.134 1.00 0.00 H new ATOM 0 HA PHE A 118 61.138 35.656 55.283 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.360 36.731 55.819 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.706 35.157 55.128 1.00 0.00 H new ATOM 0 HD1 PHE A 118 59.542 37.137 58.250 1.00 0.00 H new ATOM 0 HD2 PHE A 118 58.506 33.335 56.516 1.00 0.00 H new ATOM 0 HE1 PHE A 118 59.429 36.135 60.517 1.00 0.00 H new ATOM 0 HE2 PHE A 118 58.360 32.342 58.786 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.835 33.735 60.789 1.00 0.00 H new ATOM 1795 N CYS A 119 61.144 36.409 52.930 1.00 0.00 N ATOM 1796 CA CYS A 119 61.298 36.759 51.521 1.00 0.00 C ATOM 1797 C CYS A 119 60.575 35.752 50.614 1.00 0.00 C ATOM 1798 O CYS A 119 60.546 34.555 50.903 1.00 0.00 O ATOM 1799 CB CYS A 119 62.788 36.789 51.174 1.00 0.00 C ATOM 1800 SG CYS A 119 63.789 37.639 52.435 1.00 0.00 S ATOM 0 H CYS A 119 61.836 35.721 53.226 1.00 0.00 H new ATOM 0 HA CYS A 119 60.853 37.740 51.355 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.150 35.767 51.057 1.00 0.00 H new ATOM 0 HB3 CYS A 119 62.923 37.287 50.214 1.00 0.00 H new ATOM 0 HG CYS A 119 65.039 37.625 52.078 1.00 0.00 H new ATOM 1806 N ILE A 120 60.074 36.210 49.467 1.00 0.00 N ATOM 1807 CA ILE A 120 59.454 35.359 48.438 1.00 0.00 C ATOM 1808 C ILE A 120 59.990 35.741 47.053 1.00 0.00 C ATOM 1809 O ILE A 120 60.246 36.917 46.794 1.00 0.00 O ATOM 1810 CB ILE A 120 57.909 35.480 48.525 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.103 34.656 47.504 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.414 36.941 48.454 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.276 33.142 47.647 1.00 0.00 C ATOM 0 H ILE A 120 60.085 37.199 49.218 1.00 0.00 H new ATOM 0 HA ILE A 120 59.713 34.314 48.609 1.00 0.00 H new ATOM 0 HB ILE A 120 57.714 35.052 49.508 1.00 0.00 H new ATOM 0 HG12 ILE A 120 56.046 34.902 47.608 1.00 0.00 H new ATOM 0 HG13 ILE A 120 57.401 34.952 46.498 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.326 36.960 48.520 1.00 0.00 H new ATOM 0 HG22 ILE A 120 57.838 37.509 49.282 1.00 0.00 H new ATOM 0 HG23 ILE A 120 57.728 37.386 47.510 1.00 0.00 H new ATOM 0 HD11 ILE A 120 56.676 32.634 46.892 1.00 0.00 H new ATOM 0 HD12 ILE A 120 58.326 32.881 47.512 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.950 32.831 48.639 1.00 0.00 H new ATOM 1825 N ASN A 121 60.160 34.771 46.148 1.00 0.00 N ATOM 1826 CA ASN A 121 60.598 35.038 44.776 1.00 0.00 C ATOM 1827 C ASN A 121 59.669 34.421 43.710 1.00 0.00 C ATOM 1828 O ASN A 121 59.647 33.215 43.477 1.00 0.00 O ATOM 1829 CB ASN A 121 62.102 34.728 44.641 1.00 0.00 C ATOM 1830 CG ASN A 121 62.487 33.338 44.172 1.00 0.00 C ATOM 1831 OD1 ASN A 121 62.920 33.172 43.044 1.00 0.00 O ATOM 1832 ND2 ASN A 121 62.430 32.338 45.015 1.00 0.00 N ATOM 0 H ASN A 121 59.998 33.784 46.346 1.00 0.00 H new ATOM 0 HA ASN A 121 60.497 36.102 44.561 1.00 0.00 H new ATOM 0 HB2 ASN A 121 62.534 35.450 43.948 1.00 0.00 H new ATOM 0 HB3 ASN A 121 62.570 34.898 45.611 1.00 0.00 H new ATOM 0 HD21 ASN A 121 62.749 31.412 44.730 1.00 0.00 H new ATOM 0 HD22 ASN A 121 62.067 32.485 45.957 1.00 0.00 H new ATOM 1839 N SER A 122 58.900 35.278 43.034 1.00 0.00 N ATOM 1840 CA SER A 122 57.790 34.901 42.139 1.00 0.00 C ATOM 1841 C SER A 122 58.218 34.431 40.740 1.00 0.00 C ATOM 1842 O SER A 122 57.577 34.743 39.743 1.00 0.00 O ATOM 1843 CB SER A 122 56.768 36.043 42.060 1.00 0.00 C ATOM 1844 OG SER A 122 56.491 36.522 43.364 1.00 0.00 O ATOM 0 H SER A 122 59.033 36.288 43.093 1.00 0.00 H new ATOM 0 HA SER A 122 57.328 34.022 42.589 1.00 0.00 H new ATOM 0 HB2 SER A 122 57.157 36.851 41.440 1.00 0.00 H new ATOM 0 HB3 SER A 122 55.850 35.692 41.588 1.00 0.00 H new ATOM 0 HG SER A 122 55.624 36.980 43.367 1.00 0.00 H new ATOM 1850 N VAL A 123 59.320 33.686 40.644 1.00 0.00 N ATOM 1851 CA VAL A 123 59.818 33.106 39.378 1.00 0.00 C ATOM 1852 C VAL A 123 58.932 31.951 38.883 1.00 0.00 C ATOM 1853 O VAL A 123 58.814 31.700 37.681 1.00 0.00 O ATOM 1854 CB VAL A 123 61.288 32.681 39.554 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.489 31.485 40.493 1.00 0.00 C ATOM 1856 CG2 VAL A 123 61.947 32.390 38.207 1.00 0.00 C ATOM 0 H VAL A 123 59.905 33.461 41.448 1.00 0.00 H new ATOM 0 HA VAL A 123 59.768 33.868 38.600 1.00 0.00 H new ATOM 0 HB VAL A 123 61.771 33.536 40.027 1.00 0.00 H new ATOM 0 HG11 VAL A 123 62.551 31.251 40.562 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.107 31.732 41.484 1.00 0.00 H new ATOM 0 HG13 VAL A 123 60.951 30.621 40.102 1.00 0.00 H new ATOM 0 HG21 VAL A 123 62.984 32.093 38.366 1.00 0.00 H new ATOM 0 HG22 VAL A 123 61.411 31.584 37.706 1.00 0.00 H new ATOM 0 HG23 VAL A 123 61.917 33.286 37.586 1.00 0.00 H new ATOM 1866 N ALA A 124 58.283 31.285 39.839 1.00 0.00 N ATOM 1867 CA ALA A 124 57.445 30.098 39.672 1.00 0.00 C ATOM 1868 C ALA A 124 56.028 30.259 40.270 1.00 0.00 C ATOM 1869 O ALA A 124 55.326 29.270 40.464 1.00 0.00 O ATOM 1870 CB ALA A 124 58.209 28.916 40.286 1.00 0.00 C ATOM 0 H ALA A 124 58.332 31.580 40.814 1.00 0.00 H new ATOM 0 HA ALA A 124 57.263 29.926 38.611 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.617 28.007 40.182 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.161 28.790 39.770 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.393 29.111 41.343 1.00 0.00 H new ATOM 1876 N LEU A 125 55.602 31.495 40.563 1.00 0.00 N ATOM 1877 CA LEU A 125 54.307 31.828 41.157 1.00 0.00 C ATOM 1878 C LEU A 125 53.599 32.956 40.394 1.00 0.00 C ATOM 1879 O LEU A 125 54.254 33.846 39.851 1.00 0.00 O ATOM 1880 CB LEU A 125 54.483 32.256 42.621 1.00 0.00 C ATOM 1881 CG LEU A 125 55.120 31.203 43.547 1.00 0.00 C ATOM 1882 CD1 LEU A 125 56.563 31.588 43.886 1.00 0.00 C ATOM 1883 CD2 LEU A 125 54.349 31.109 44.866 1.00 0.00 C ATOM 0 H LEU A 125 56.175 32.320 40.385 1.00 0.00 H new ATOM 0 HA LEU A 125 53.692 30.930 41.099 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.097 33.156 42.647 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.506 32.525 43.023 1.00 0.00 H new ATOM 0 HG LEU A 125 55.093 30.249 43.021 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.997 30.832 44.541 1.00 0.00 H new ATOM 0 HD12 LEU A 125 57.148 31.652 42.968 1.00 0.00 H new ATOM 0 HD13 LEU A 125 56.573 32.554 44.390 1.00 0.00 H new ATOM 0 HD21 LEU A 125 54.814 30.360 45.507 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.366 32.077 45.367 1.00 0.00 H new ATOM 0 HD23 LEU A 125 53.317 30.823 44.664 1.00 0.00 H new ATOM 1895 N LYS A 126 52.264 32.964 40.434 1.00 0.00 N ATOM 1896 CA LYS A 126 51.402 34.033 39.909 1.00 0.00 C ATOM 1897 C LYS A 126 50.675 34.772 41.033 1.00 0.00 C ATOM 1898 O LYS A 126 50.448 34.227 42.117 1.00 0.00 O ATOM 1899 CB LYS A 126 50.403 33.441 38.912 1.00 0.00 C ATOM 1900 CG LYS A 126 51.109 32.908 37.663 1.00 0.00 C ATOM 1901 CD LYS A 126 50.574 33.511 36.365 1.00 0.00 C ATOM 1902 CE LYS A 126 51.054 34.955 36.193 1.00 0.00 C ATOM 1903 NZ LYS A 126 50.652 35.510 34.883 1.00 0.00 N ATOM 0 H LYS A 126 51.731 32.199 40.848 1.00 0.00 H new ATOM 0 HA LYS A 126 52.030 34.763 39.398 1.00 0.00 H new ATOM 0 HB2 LYS A 126 49.846 32.635 39.389 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.678 34.203 38.625 1.00 0.00 H new ATOM 0 HG2 LYS A 126 52.176 33.117 37.740 1.00 0.00 H new ATOM 0 HG3 LYS A 126 50.998 31.824 37.625 1.00 0.00 H new ATOM 0 HD2 LYS A 126 50.904 32.911 35.517 1.00 0.00 H new ATOM 0 HD3 LYS A 126 49.484 33.484 36.369 1.00 0.00 H new ATOM 0 HE2 LYS A 126 50.644 35.573 36.992 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.139 34.992 36.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 50.994 36.489 34.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 51.064 34.935 34.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 49.615 35.498 34.804 1.00 0.00 H new ATOM 1917 N PHE A 127 50.191 35.978 40.747 1.00 0.00 N ATOM 1918 CA PHE A 127 49.350 36.750 41.664 1.00 0.00 C ATOM 1919 C PHE A 127 48.138 37.365 40.964 1.00 0.00 C ATOM 1920 O PHE A 127 48.188 37.662 39.772 1.00 0.00 O ATOM 1921 CB PHE A 127 50.195 37.794 42.395 1.00 0.00 C ATOM 1922 CG PHE A 127 50.895 38.841 41.546 1.00 0.00 C ATOM 1923 CD1 PHE A 127 52.151 38.565 40.971 1.00 0.00 C ATOM 1924 CD2 PHE A 127 50.322 40.117 41.379 1.00 0.00 C ATOM 1925 CE1 PHE A 127 52.829 39.554 40.237 1.00 0.00 C ATOM 1926 CE2 PHE A 127 51.003 41.108 40.649 1.00 0.00 C ATOM 1927 CZ PHE A 127 52.258 40.828 40.080 1.00 0.00 C ATOM 0 H PHE A 127 50.372 36.454 39.863 1.00 0.00 H new ATOM 0 HA PHE A 127 48.940 36.066 42.407 1.00 0.00 H new ATOM 0 HB2 PHE A 127 49.551 38.312 43.106 1.00 0.00 H new ATOM 0 HB3 PHE A 127 50.953 37.268 42.975 1.00 0.00 H new ATOM 0 HD1 PHE A 127 52.595 37.588 41.095 1.00 0.00 H new ATOM 0 HD2 PHE A 127 49.357 40.335 41.813 1.00 0.00 H new ATOM 0 HE1 PHE A 127 53.789 39.334 39.794 1.00 0.00 H new ATOM 0 HE2 PHE A 127 50.561 42.086 40.525 1.00 0.00 H new ATOM 0 HZ PHE A 127 52.782 41.591 39.523 1.00 0.00 H new ATOM 1937 N LYS A 128 47.038 37.526 41.709 1.00 0.00 N ATOM 1938 CA LYS A 128 45.775 38.135 41.250 1.00 0.00 C ATOM 1939 C LYS A 128 45.252 39.087 42.344 1.00 0.00 C ATOM 1940 O LYS A 128 45.296 38.709 43.516 1.00 0.00 O ATOM 1941 CB LYS A 128 44.756 37.028 40.887 1.00 0.00 C ATOM 1942 CG LYS A 128 45.114 36.335 39.556 1.00 0.00 C ATOM 1943 CD LYS A 128 44.349 35.029 39.288 1.00 0.00 C ATOM 1944 CE LYS A 128 44.838 34.450 37.948 1.00 0.00 C ATOM 1945 NZ LYS A 128 44.711 32.975 37.864 1.00 0.00 N ATOM 0 H LYS A 128 46.997 37.227 42.683 1.00 0.00 H new ATOM 0 HA LYS A 128 45.938 38.722 40.346 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.724 36.287 41.686 1.00 0.00 H new ATOM 0 HB3 LYS A 128 43.759 37.462 40.814 1.00 0.00 H new ATOM 0 HG2 LYS A 128 44.921 37.028 38.737 1.00 0.00 H new ATOM 0 HG3 LYS A 128 46.183 36.122 39.548 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.520 34.316 40.095 1.00 0.00 H new ATOM 0 HD3 LYS A 128 43.276 35.218 39.251 1.00 0.00 H new ATOM 0 HE2 LYS A 128 44.270 34.903 37.136 1.00 0.00 H new ATOM 0 HE3 LYS A 128 45.882 34.727 37.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 45.072 32.647 36.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 45.261 32.535 38.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 43.711 32.707 37.958 1.00 0.00 H new ATOM 1959 N PRO A 129 44.813 40.319 42.027 1.00 0.00 N ATOM 1960 CA PRO A 129 44.454 41.319 43.035 1.00 0.00 C ATOM 1961 C PRO A 129 43.038 41.136 43.598 1.00 0.00 C ATOM 1962 O PRO A 129 42.228 40.366 43.087 1.00 0.00 O ATOM 1963 CB PRO A 129 44.616 42.667 42.333 1.00 0.00 C ATOM 1964 CG PRO A 129 44.229 42.329 40.897 1.00 0.00 C ATOM 1965 CD PRO A 129 44.782 40.918 40.699 1.00 0.00 C ATOM 0 HA PRO A 129 45.096 41.229 43.912 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.966 43.430 42.761 1.00 0.00 H new ATOM 0 HB3 PRO A 129 45.637 43.042 42.402 1.00 0.00 H new ATOM 0 HG2 PRO A 129 43.149 42.360 40.755 1.00 0.00 H new ATOM 0 HG3 PRO A 129 44.664 43.033 40.188 1.00 0.00 H new ATOM 0 HD2 PRO A 129 44.151 40.341 40.023 1.00 0.00 H new ATOM 0 HD3 PRO A 129 45.779 40.946 40.258 1.00 0.00 H new ATOM 1973 N SER A 130 42.729 41.887 44.657 1.00 0.00 N ATOM 1974 CA SER A 130 41.415 41.856 45.318 1.00 0.00 C ATOM 1975 C SER A 130 40.346 42.606 44.525 1.00 0.00 C ATOM 1976 O SER A 130 39.183 42.211 44.462 1.00 0.00 O ATOM 1977 CB SER A 130 41.529 42.479 46.703 1.00 0.00 C ATOM 1978 OG SER A 130 41.083 41.580 47.688 1.00 0.00 O ATOM 0 H SER A 130 43.385 42.539 45.086 1.00 0.00 H new ATOM 0 HA SER A 130 41.111 40.811 45.385 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.565 42.757 46.899 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.940 43.395 46.745 1.00 0.00 H new ATOM 0 HG SER A 130 41.165 41.996 48.572 1.00 0.00 H new ATOM 1984 N LYS A 131 40.752 43.743 43.955 1.00 0.00 N ATOM 1985 CA LYS A 131 39.877 44.713 43.297 1.00 0.00 C ATOM 1986 C LYS A 131 39.367 44.234 41.916 1.00 0.00 C ATOM 1987 O LYS A 131 40.131 43.590 41.194 1.00 0.00 O ATOM 1988 CB LYS A 131 40.585 46.077 43.196 1.00 0.00 C ATOM 1989 CG LYS A 131 41.142 46.629 44.525 1.00 0.00 C ATOM 1990 CD LYS A 131 40.181 46.600 45.727 1.00 0.00 C ATOM 1991 CE LYS A 131 38.878 47.381 45.521 1.00 0.00 C ATOM 1992 NZ LYS A 131 39.064 48.845 45.669 1.00 0.00 N ATOM 0 H LYS A 131 41.733 44.022 43.939 1.00 0.00 H new ATOM 0 HA LYS A 131 38.987 44.819 43.917 1.00 0.00 H new ATOM 0 HB2 LYS A 131 41.406 45.990 42.485 1.00 0.00 H new ATOM 0 HB3 LYS A 131 39.883 46.803 42.785 1.00 0.00 H new ATOM 0 HG2 LYS A 131 42.034 46.060 44.786 1.00 0.00 H new ATOM 0 HG3 LYS A 131 41.457 47.660 44.363 1.00 0.00 H new ATOM 0 HD2 LYS A 131 39.935 45.563 45.954 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.697 47.003 46.598 1.00 0.00 H new ATOM 0 HE2 LYS A 131 38.483 47.167 44.528 1.00 0.00 H new ATOM 0 HE3 LYS A 131 38.135 47.038 46.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 38.155 49.327 45.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 39.415 49.055 46.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 39.753 49.180 44.965 1.00 0.00 H new