USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=23 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 HD1:sc= 0.878 K(o=2.5,f=-7.3!) USER MOD Set 1.2: A 119 CYS SG : rot 74:sc= 1.59 USER MOD Set 2.1: A 40 CYS SG : rot -149:sc= -2! USER MOD Set 2.2: A 43 CYS SG : rot -131:sc= -3.47! USER MOD Set 2.3: A 45 SER OG : rot -138:sc= 1.28 USER MOD Set 2.4: A 96 CYS SG : rot -162:sc= -10! USER MOD Set 2.5: A 98 GLN : amide:sc= 1.08 K(o=-24,f=-28) USER MOD Set 2.6: A 99 CYS SG : rot 18:sc= -10.4! USER MOD Set 3.1: A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 116 GLN : amide:sc= 0.707 K(o=0.71,f=-1.7) USER MOD Set 4.1: A 38 TYR OH : rot -18:sc= 0.319 USER MOD Set 4.2: A 50 SER OG : rot 180:sc= 0.309 USER MOD Single : A 35 THR OG1 : rot 24:sc= 0.18 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -0.133 K(o=-0.13,f=-4.5!) USER MOD Single : A 42 CYS SG : rot -129:sc= 0.184 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0431) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -47:sc= 0.186 USER MOD Single : A 86 SER OG : rot 93:sc= 1.33 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.905 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= 0.18 K(o=0.18,f=-1.8) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 121 ASN : amide:sc= 0.124 X(o=0.12,f=-0.0054) 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 45.472 44.155 46.822 1.00 0.00 N ATOM 559 CA THR A 35 45.423 42.903 47.577 1.00 0.00 C ATOM 560 C THR A 35 45.133 41.768 46.593 1.00 0.00 C ATOM 561 O THR A 35 44.705 41.989 45.459 1.00 0.00 O ATOM 562 CB THR A 35 44.381 43.002 48.710 1.00 0.00 C ATOM 563 OG1 THR A 35 44.700 44.114 49.507 1.00 0.00 O ATOM 564 CG2 THR A 35 44.333 41.811 49.664 1.00 0.00 C ATOM 0 HA THR A 35 46.377 42.699 48.064 1.00 0.00 H new ATOM 0 HB THR A 35 43.417 43.060 48.204 1.00 0.00 H new ATOM 0 HG1 THR A 35 45.219 44.757 48.979 1.00 0.00 H new ATOM 0 HG21 THR A 35 43.568 41.982 50.421 1.00 0.00 H new ATOM 0 HG22 THR A 35 44.094 40.906 49.105 1.00 0.00 H new ATOM 0 HG23 THR A 35 45.303 41.693 50.148 1.00 0.00 H new ATOM 572 N GLY A 36 45.354 40.534 47.020 1.00 0.00 N ATOM 573 CA GLY A 36 45.133 39.345 46.189 1.00 0.00 C ATOM 574 C GLY A 36 45.913 38.133 46.701 1.00 0.00 C ATOM 575 O GLY A 36 46.214 38.057 47.894 1.00 0.00 O ATOM 0 H GLY A 36 45.694 40.321 47.958 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.069 39.109 46.170 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.430 39.560 45.163 1.00 0.00 H new ATOM 579 N MET A 37 46.305 37.218 45.813 1.00 0.00 N ATOM 580 CA MET A 37 47.125 36.042 46.121 1.00 0.00 C ATOM 581 C MET A 37 48.001 35.603 44.934 1.00 0.00 C ATOM 582 O MET A 37 47.828 36.054 43.802 1.00 0.00 O ATOM 583 CB MET A 37 46.228 34.882 46.594 1.00 0.00 C ATOM 584 CG MET A 37 45.221 34.478 45.515 1.00 0.00 C ATOM 585 SD MET A 37 44.500 32.825 45.687 1.00 0.00 S ATOM 586 CE MET A 37 43.675 32.960 47.297 1.00 0.00 C ATOM 0 H MET A 37 46.053 37.276 44.826 1.00 0.00 H new ATOM 0 HA MET A 37 47.806 36.323 46.924 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.848 34.024 46.855 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.696 35.177 47.498 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.411 35.208 45.509 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.713 34.540 44.544 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.186 32.015 47.536 1.00 0.00 H new ATOM 0 HE2 MET A 37 44.413 33.192 48.065 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.930 33.754 47.258 1.00 0.00 H new ATOM 596 N TYR A 38 48.911 34.682 45.226 1.00 0.00 N ATOM 597 CA TYR A 38 49.919 34.093 44.344 1.00 0.00 C ATOM 598 C TYR A 38 49.832 32.562 44.365 1.00 0.00 C ATOM 599 O TYR A 38 49.538 31.943 45.394 1.00 0.00 O ATOM 600 CB TYR A 38 51.341 34.552 44.716 1.00 0.00 C ATOM 601 CG TYR A 38 51.543 36.055 44.766 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.081 36.767 45.884 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.184 36.745 43.716 1.00 0.00 C ATOM 604 CE1 TYR A 38 51.199 38.163 45.926 1.00 0.00 C ATOM 605 CE2 TYR A 38 52.311 38.152 43.762 1.00 0.00 C ATOM 606 CZ TYR A 38 51.793 38.866 44.864 1.00 0.00 C ATOM 607 OH TYR A 38 51.851 40.223 44.935 1.00 0.00 O ATOM 0 H TYR A 38 48.970 34.292 46.167 1.00 0.00 H new ATOM 0 HA TYR A 38 49.710 34.444 43.333 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.597 34.135 45.690 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.042 34.131 43.995 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.634 36.238 46.713 1.00 0.00 H new ATOM 0 HD2 TYR A 38 52.579 36.196 42.874 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.829 38.705 46.784 1.00 0.00 H new ATOM 0 HE2 TYR A 38 52.802 38.679 42.957 1.00 0.00 H new ATOM 0 HH TYR A 38 51.208 40.543 45.602 1.00 0.00 H new ATOM 617 N HIS A 39 50.094 31.973 43.205 1.00 0.00 N ATOM 618 CA HIS A 39 49.997 30.543 42.917 1.00 0.00 C ATOM 619 C HIS A 39 51.056 30.106 41.891 1.00 0.00 C ATOM 620 O HIS A 39 51.547 30.935 41.122 1.00 0.00 O ATOM 621 CB HIS A 39 48.585 30.256 42.378 1.00 0.00 C ATOM 622 CG HIS A 39 48.259 30.889 41.048 1.00 0.00 C ATOM 623 ND1 HIS A 39 48.424 30.309 39.814 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.699 32.120 40.840 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.972 31.162 38.884 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.520 32.289 39.461 1.00 0.00 N ATOM 0 H HIS A 39 50.397 32.509 42.392 1.00 0.00 H new ATOM 0 HA HIS A 39 50.178 29.978 43.831 1.00 0.00 H new ATOM 0 HB2 HIS A 39 48.461 29.177 42.288 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.857 30.600 43.113 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.822 29.387 39.636 1.00 0.00 H new ATOM 0 HD2 HIS A 39 47.440 32.836 41.606 1.00 0.00 H new ATOM 0 HE1 HIS A 39 47.971 30.971 37.821 1.00 0.00 H new ATOM 634 N CYS A 40 51.371 28.817 41.807 1.00 0.00 N ATOM 635 CA CYS A 40 52.213 28.274 40.770 1.00 0.00 C ATOM 636 C CYS A 40 51.572 28.409 39.372 1.00 0.00 C ATOM 637 O CYS A 40 50.352 28.365 39.183 1.00 0.00 O ATOM 638 CB CYS A 40 52.467 26.805 41.123 1.00 0.00 C ATOM 639 SG CYS A 40 53.171 26.553 42.776 1.00 0.00 S ATOM 0 H CYS A 40 51.039 28.118 42.472 1.00 0.00 H new ATOM 0 HA CYS A 40 53.149 28.830 40.720 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.527 26.258 41.053 1.00 0.00 H new ATOM 0 HB3 CYS A 40 53.142 26.376 40.383 1.00 0.00 H new ATOM 0 HG CYS A 40 53.929 25.497 42.769 1.00 0.00 H new ATOM 644 N VAL A 41 52.447 28.445 38.375 1.00 0.00 N ATOM 645 CA VAL A 41 52.146 28.006 36.993 1.00 0.00 C ATOM 646 C VAL A 41 52.957 26.762 36.600 1.00 0.00 C ATOM 647 O VAL A 41 53.252 26.516 35.434 1.00 0.00 O ATOM 648 CB VAL A 41 52.167 29.190 36.013 1.00 0.00 C ATOM 649 CG1 VAL A 41 53.562 29.762 35.737 1.00 0.00 C ATOM 650 CG2 VAL A 41 51.447 28.914 34.687 1.00 0.00 C ATOM 0 H VAL A 41 53.402 28.782 38.492 1.00 0.00 H new ATOM 0 HA VAL A 41 51.117 27.651 36.938 1.00 0.00 H new ATOM 0 HB VAL A 41 51.603 29.952 36.551 1.00 0.00 H new ATOM 0 HG11 VAL A 41 53.482 30.593 35.036 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.001 30.115 36.670 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.196 28.985 35.309 1.00 0.00 H new ATOM 0 HG21 VAL A 41 51.506 29.797 34.050 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.921 28.071 34.184 1.00 0.00 H new ATOM 0 HG23 VAL A 41 50.401 28.677 34.883 1.00 0.00 H new ATOM 660 N CYS A 42 53.306 25.964 37.610 1.00 0.00 N ATOM 661 CA CYS A 42 54.071 24.724 37.488 1.00 0.00 C ATOM 662 C CYS A 42 53.251 23.491 37.921 1.00 0.00 C ATOM 663 O CYS A 42 53.271 22.478 37.223 1.00 0.00 O ATOM 664 CB CYS A 42 55.361 24.910 38.295 1.00 0.00 C ATOM 665 SG CYS A 42 56.572 23.626 37.859 1.00 0.00 S ATOM 0 H CYS A 42 53.052 26.174 38.575 1.00 0.00 H new ATOM 0 HA CYS A 42 54.321 24.525 36.446 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.781 25.897 38.099 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.140 24.864 39.361 1.00 0.00 H new ATOM 0 HG CYS A 42 57.022 23.068 38.943 1.00 0.00 H new ATOM 671 N CYS A 43 52.477 23.582 39.009 1.00 0.00 N ATOM 672 CA CYS A 43 51.592 22.543 39.509 1.00 0.00 C ATOM 673 C CYS A 43 50.095 22.903 39.328 1.00 0.00 C ATOM 674 O CYS A 43 49.530 22.763 38.244 1.00 0.00 O ATOM 675 CB CYS A 43 52.037 22.249 40.963 1.00 0.00 C ATOM 676 SG CYS A 43 52.065 23.768 41.925 1.00 0.00 S ATOM 0 H CYS A 43 52.455 24.423 39.585 1.00 0.00 H new ATOM 0 HA CYS A 43 51.676 21.624 38.929 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.355 21.532 41.421 1.00 0.00 H new ATOM 0 HB3 CYS A 43 53.027 21.792 40.963 1.00 0.00 H new ATOM 0 HG CYS A 43 53.193 23.856 42.565 1.00 0.00 H new ATOM 681 N ASP A 44 49.468 23.300 40.429 1.00 0.00 N ATOM 682 CA ASP A 44 48.020 23.389 40.660 1.00 0.00 C ATOM 683 C ASP A 44 47.626 24.505 41.646 1.00 0.00 C ATOM 684 O ASP A 44 46.590 25.150 41.479 1.00 0.00 O ATOM 685 CB ASP A 44 47.536 22.052 41.256 1.00 0.00 C ATOM 686 CG ASP A 44 47.259 20.947 40.230 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.555 21.221 39.229 1.00 0.00 O ATOM 688 OD2 ASP A 44 47.695 19.791 40.452 1.00 0.00 O ATOM 0 H ASP A 44 49.995 23.592 41.252 1.00 0.00 H new ATOM 0 HA ASP A 44 47.560 23.614 39.698 1.00 0.00 H new ATOM 0 HB2 ASP A 44 48.286 21.693 41.960 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.625 22.234 41.826 1.00 0.00 H new ATOM 693 N SER A 45 48.402 24.674 42.718 1.00 0.00 N ATOM 694 CA SER A 45 47.932 25.229 43.990 1.00 0.00 C ATOM 695 C SER A 45 48.214 26.730 44.221 1.00 0.00 C ATOM 696 O SER A 45 49.327 27.209 43.996 1.00 0.00 O ATOM 697 CB SER A 45 48.482 24.368 45.140 1.00 0.00 C ATOM 698 OG SER A 45 49.809 23.920 44.912 1.00 0.00 O ATOM 0 H SER A 45 49.391 24.425 42.728 1.00 0.00 H new ATOM 0 HA SER A 45 46.843 25.187 43.953 1.00 0.00 H new ATOM 0 HB2 SER A 45 48.453 24.945 46.064 1.00 0.00 H new ATOM 0 HB3 SER A 45 47.832 23.504 45.283 1.00 0.00 H new ATOM 0 HG SER A 45 49.889 22.982 45.185 1.00 0.00 H new ATOM 704 N PRO A 46 47.237 27.499 44.753 1.00 0.00 N ATOM 705 CA PRO A 46 47.492 28.796 45.373 1.00 0.00 C ATOM 706 C PRO A 46 48.037 28.642 46.789 1.00 0.00 C ATOM 707 O PRO A 46 47.565 27.800 47.554 1.00 0.00 O ATOM 708 CB PRO A 46 46.160 29.536 45.363 1.00 0.00 C ATOM 709 CG PRO A 46 45.133 28.407 45.460 1.00 0.00 C ATOM 710 CD PRO A 46 45.808 27.211 44.781 1.00 0.00 C ATOM 0 HA PRO A 46 48.254 29.351 44.825 1.00 0.00 H new ATOM 0 HB2 PRO A 46 46.078 30.228 46.201 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.031 30.121 44.452 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.885 28.185 46.498 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.202 28.674 44.959 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.609 26.291 45.330 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.421 27.070 43.772 1.00 0.00 H new ATOM 718 N LEU A 47 49.014 29.485 47.134 1.00 0.00 N ATOM 719 CA LEU A 47 49.855 29.268 48.320 1.00 0.00 C ATOM 720 C LEU A 47 50.140 30.515 49.174 1.00 0.00 C ATOM 721 O LEU A 47 50.320 30.382 50.384 1.00 0.00 O ATOM 722 CB LEU A 47 51.177 28.590 47.878 1.00 0.00 C ATOM 723 CG LEU A 47 51.469 27.210 48.502 1.00 0.00 C ATOM 724 CD1 LEU A 47 51.465 27.236 50.033 1.00 0.00 C ATOM 725 CD2 LEU A 47 50.491 26.135 48.030 1.00 0.00 C ATOM 0 H LEU A 47 49.245 30.328 46.608 1.00 0.00 H new ATOM 0 HA LEU A 47 49.279 28.624 48.984 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.162 28.481 46.794 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.004 29.258 48.119 1.00 0.00 H new ATOM 0 HG LEU A 47 52.472 26.959 48.157 1.00 0.00 H new ATOM 0 HD11 LEU A 47 51.676 26.237 50.414 1.00 0.00 H new ATOM 0 HD12 LEU A 47 52.229 27.929 50.387 1.00 0.00 H new ATOM 0 HD13 LEU A 47 50.487 27.561 50.389 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.742 25.184 48.499 1.00 0.00 H new ATOM 0 HD22 LEU A 47 49.476 26.420 48.307 1.00 0.00 H new ATOM 0 HD23 LEU A 47 50.557 26.034 46.947 1.00 0.00 H new ATOM 737 N PHE A 48 50.182 31.719 48.591 1.00 0.00 N ATOM 738 CA PHE A 48 50.592 32.931 49.322 1.00 0.00 C ATOM 739 C PHE A 48 49.611 34.085 49.093 1.00 0.00 C ATOM 740 O PHE A 48 49.361 34.464 47.952 1.00 0.00 O ATOM 741 CB PHE A 48 52.022 33.345 48.914 1.00 0.00 C ATOM 742 CG PHE A 48 53.036 32.215 48.809 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.351 31.436 49.939 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.639 31.917 47.571 1.00 0.00 C ATOM 745 CE1 PHE A 48 54.258 30.366 49.831 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.545 30.847 47.463 1.00 0.00 C ATOM 747 CZ PHE A 48 54.854 30.070 48.593 1.00 0.00 C ATOM 0 H PHE A 48 49.937 31.883 47.614 1.00 0.00 H new ATOM 0 HA PHE A 48 50.583 32.698 50.387 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.972 33.853 47.951 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.390 34.071 49.639 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.895 31.661 50.892 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.404 32.513 46.701 1.00 0.00 H new ATOM 0 HE1 PHE A 48 54.497 29.771 50.700 1.00 0.00 H new ATOM 0 HE2 PHE A 48 55.004 30.622 46.511 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.548 29.247 48.510 1.00 0.00 H new ATOM 757 N SER A 49 49.084 34.710 50.149 1.00 0.00 N ATOM 758 CA SER A 49 48.233 35.889 50.010 1.00 0.00 C ATOM 759 C SER A 49 49.074 37.161 49.957 1.00 0.00 C ATOM 760 O SER A 49 49.905 37.423 50.826 1.00 0.00 O ATOM 761 CB SER A 49 47.209 36.000 51.131 1.00 0.00 C ATOM 762 OG SER A 49 46.503 34.794 51.326 1.00 0.00 O ATOM 0 H SER A 49 49.234 34.415 51.114 1.00 0.00 H new ATOM 0 HA SER A 49 47.690 35.772 49.072 1.00 0.00 H new ATOM 0 HB2 SER A 49 47.714 36.278 52.056 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.504 36.799 50.900 1.00 0.00 H new ATOM 0 HG SER A 49 45.857 34.907 52.055 1.00 0.00 H new ATOM 768 N SER A 50 48.760 38.025 48.997 1.00 0.00 N ATOM 769 CA SER A 50 49.311 39.389 48.868 1.00 0.00 C ATOM 770 C SER A 50 48.951 40.285 50.038 1.00 0.00 C ATOM 771 O SER A 50 49.507 41.362 50.204 1.00 0.00 O ATOM 772 CB SER A 50 48.781 40.061 47.606 1.00 0.00 C ATOM 773 OG SER A 50 49.753 40.933 47.047 1.00 0.00 O ATOM 0 H SER A 50 48.094 37.797 48.259 1.00 0.00 H new ATOM 0 HA SER A 50 50.394 39.267 48.833 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.505 39.302 46.874 1.00 0.00 H new ATOM 0 HB3 SER A 50 47.876 40.622 47.841 1.00 0.00 H new ATOM 0 HG SER A 50 49.391 41.351 46.238 1.00 0.00 H new ATOM 779 N GLU A 51 48.021 39.831 50.865 1.00 0.00 N ATOM 780 CA GLU A 51 47.644 40.503 52.095 1.00 0.00 C ATOM 781 C GLU A 51 48.817 40.697 53.055 1.00 0.00 C ATOM 782 O GLU A 51 48.931 41.729 53.716 1.00 0.00 O ATOM 783 CB GLU A 51 46.562 39.665 52.784 1.00 0.00 C ATOM 784 CG GLU A 51 45.302 40.472 53.066 1.00 0.00 C ATOM 785 CD GLU A 51 44.770 40.241 54.489 1.00 0.00 C ATOM 786 OE1 GLU A 51 45.559 40.344 55.457 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.560 39.963 54.646 1.00 0.00 O ATOM 0 H GLU A 51 47.500 38.971 50.695 1.00 0.00 H new ATOM 0 HA GLU A 51 47.282 41.498 51.835 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.311 38.811 52.155 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.954 39.267 53.720 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.513 41.532 52.927 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.531 40.203 52.344 1.00 0.00 H new ATOM 794 N LYS A 52 49.722 39.710 53.083 1.00 0.00 N ATOM 795 CA LYS A 52 50.954 39.745 53.872 1.00 0.00 C ATOM 796 C LYS A 52 52.102 40.435 53.133 1.00 0.00 C ATOM 797 O LYS A 52 53.235 40.406 53.611 1.00 0.00 O ATOM 798 CB LYS A 52 51.302 38.333 54.374 1.00 0.00 C ATOM 799 CG LYS A 52 50.738 38.075 55.780 1.00 0.00 C ATOM 800 CD LYS A 52 49.213 38.188 55.875 1.00 0.00 C ATOM 801 CE LYS A 52 48.693 39.520 56.431 1.00 0.00 C ATOM 802 NZ LYS A 52 48.772 39.565 57.908 1.00 0.00 N ATOM 0 H LYS A 52 49.613 38.849 52.546 1.00 0.00 H new ATOM 0 HA LYS A 52 50.784 40.365 54.752 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.904 37.592 53.681 1.00 0.00 H new ATOM 0 HB3 LYS A 52 52.385 38.208 54.388 1.00 0.00 H new ATOM 0 HG2 LYS A 52 51.038 37.078 56.102 1.00 0.00 H new ATOM 0 HG3 LYS A 52 51.188 38.784 56.475 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.790 38.037 54.882 1.00 0.00 H new ATOM 0 HD3 LYS A 52 48.843 37.380 56.505 1.00 0.00 H new ATOM 0 HE2 LYS A 52 49.273 40.341 56.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 47.659 39.667 56.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 48.412 40.480 58.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 48.198 38.797 58.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 49.762 39.450 58.206 1.00 0.00 H new ATOM 816 N LYS A 53 51.851 41.049 51.969 1.00 0.00 N ATOM 817 CA LYS A 53 52.918 41.728 51.221 1.00 0.00 C ATOM 818 C LYS A 53 53.499 42.865 52.069 1.00 0.00 C ATOM 819 O LYS A 53 52.751 43.682 52.599 1.00 0.00 O ATOM 820 CB LYS A 53 52.418 42.218 49.855 1.00 0.00 C ATOM 821 CG LYS A 53 53.534 42.730 48.943 1.00 0.00 C ATOM 822 CD LYS A 53 54.408 41.565 48.441 1.00 0.00 C ATOM 823 CE LYS A 53 54.491 41.583 46.919 1.00 0.00 C ATOM 824 NZ LYS A 53 55.343 42.704 46.451 1.00 0.00 N ATOM 0 H LYS A 53 50.932 41.090 51.529 1.00 0.00 H new ATOM 0 HA LYS A 53 53.718 41.016 51.016 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.896 41.402 49.354 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.691 43.015 50.008 1.00 0.00 H new ATOM 0 HG2 LYS A 53 53.102 43.259 48.093 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.152 43.447 49.484 1.00 0.00 H new ATOM 0 HD2 LYS A 53 55.408 41.642 48.867 1.00 0.00 H new ATOM 0 HD3 LYS A 53 53.990 40.616 48.778 1.00 0.00 H new ATOM 0 HE2 LYS A 53 54.898 40.637 46.561 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.491 41.680 46.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 55.497 42.619 45.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 54.871 43.608 46.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 56.259 42.672 46.942 1.00 0.00 H new ATOM 838 N TYR A 54 54.828 42.931 52.155 1.00 0.00 N ATOM 839 CA TYR A 54 55.577 44.013 52.836 1.00 0.00 C ATOM 840 C TYR A 54 55.427 45.382 52.122 1.00 0.00 C ATOM 841 O TYR A 54 56.361 45.931 51.527 1.00 0.00 O ATOM 842 CB TYR A 54 57.048 43.638 53.048 1.00 0.00 C ATOM 843 CG TYR A 54 57.386 42.708 54.207 1.00 0.00 C ATOM 844 CD1 TYR A 54 57.166 41.328 54.090 1.00 0.00 C ATOM 845 CD2 TYR A 54 58.041 43.202 55.354 1.00 0.00 C ATOM 846 CE1 TYR A 54 57.698 40.438 55.041 1.00 0.00 C ATOM 847 CE2 TYR A 54 58.523 42.320 56.346 1.00 0.00 C ATOM 848 CZ TYR A 54 58.370 40.927 56.176 1.00 0.00 C ATOM 849 OH TYR A 54 58.854 40.030 57.075 1.00 0.00 O ATOM 0 H TYR A 54 55.437 42.222 51.747 1.00 0.00 H new ATOM 0 HA TYR A 54 55.126 44.130 53.822 1.00 0.00 H new ATOM 0 HB2 TYR A 54 57.411 43.175 52.130 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.612 44.561 53.184 1.00 0.00 H new ATOM 0 HD1 TYR A 54 56.584 40.946 53.264 1.00 0.00 H new ATOM 0 HD2 TYR A 54 58.176 44.267 55.475 1.00 0.00 H new ATOM 0 HE1 TYR A 54 57.590 39.373 54.899 1.00 0.00 H new ATOM 0 HE2 TYR A 54 59.006 42.709 57.230 1.00 0.00 H new ATOM 0 HH TYR A 54 59.296 40.507 57.808 1.00 0.00 H new ATOM 933 N PRO A 61 58.847 41.965 46.789 1.00 0.00 N ATOM 934 CA PRO A 61 58.253 40.627 46.964 1.00 0.00 C ATOM 935 C PRO A 61 58.759 39.805 48.164 1.00 0.00 C ATOM 936 O PRO A 61 59.524 38.844 48.093 1.00 0.00 O ATOM 937 CB PRO A 61 58.409 39.917 45.641 1.00 0.00 C ATOM 938 CG PRO A 61 59.659 40.560 45.043 1.00 0.00 C ATOM 939 CD PRO A 61 59.517 42.015 45.492 1.00 0.00 C ATOM 0 HA PRO A 61 57.204 40.748 47.235 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.533 38.842 45.773 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.538 40.061 45.002 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.573 40.104 45.422 1.00 0.00 H new ATOM 0 HG3 PRO A 61 59.684 40.469 43.957 1.00 0.00 H new ATOM 0 HD2 PRO A 61 60.491 42.497 45.573 1.00 0.00 H new ATOM 0 HD3 PRO A 61 58.935 42.592 44.773 1.00 0.00 H new ATOM 947 N SER A 62 58.155 40.166 49.279 1.00 0.00 N ATOM 948 CA SER A 62 58.246 39.556 50.598 1.00 0.00 C ATOM 949 C SER A 62 56.858 39.421 51.232 1.00 0.00 C ATOM 950 O SER A 62 55.967 40.223 50.938 1.00 0.00 O ATOM 951 CB SER A 62 59.142 40.393 51.495 1.00 0.00 C ATOM 952 OG SER A 62 60.513 40.139 51.282 1.00 0.00 O ATOM 0 H SER A 62 57.528 40.970 49.289 1.00 0.00 H new ATOM 0 HA SER A 62 58.674 38.560 50.487 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.941 41.450 51.319 1.00 0.00 H new ATOM 0 HB3 SER A 62 58.897 40.191 52.538 1.00 0.00 H new ATOM 0 HG SER A 62 61.047 40.702 51.881 1.00 0.00 H new ATOM 958 N PHE A 63 56.682 38.460 52.143 1.00 0.00 N ATOM 959 CA PHE A 63 55.400 38.053 52.726 1.00 0.00 C ATOM 960 C PHE A 63 55.536 37.802 54.232 1.00 0.00 C ATOM 961 O PHE A 63 56.118 36.812 54.656 1.00 0.00 O ATOM 962 CB PHE A 63 54.905 36.787 52.015 1.00 0.00 C ATOM 963 CG PHE A 63 54.578 36.978 50.547 1.00 0.00 C ATOM 964 CD1 PHE A 63 55.596 36.936 49.573 1.00 0.00 C ATOM 965 CD2 PHE A 63 53.247 37.195 50.154 1.00 0.00 C ATOM 966 CE1 PHE A 63 55.285 37.116 48.214 1.00 0.00 C ATOM 967 CE2 PHE A 63 52.933 37.355 48.795 1.00 0.00 C ATOM 968 CZ PHE A 63 53.951 37.316 47.824 1.00 0.00 C ATOM 0 H PHE A 63 57.465 37.920 52.511 1.00 0.00 H new ATOM 0 HA PHE A 63 54.676 38.857 52.589 1.00 0.00 H new ATOM 0 HB2 PHE A 63 55.667 36.013 52.107 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.015 36.422 52.528 1.00 0.00 H new ATOM 0 HD1 PHE A 63 56.620 36.765 49.872 1.00 0.00 H new ATOM 0 HD2 PHE A 63 52.465 37.239 50.898 1.00 0.00 H new ATOM 0 HE1 PHE A 63 56.070 37.101 47.472 1.00 0.00 H new ATOM 0 HE2 PHE A 63 51.907 37.508 48.494 1.00 0.00 H new ATOM 0 HZ PHE A 63 53.706 37.440 46.779 1.00 0.00 H new ATOM 978 N SER A 64 55.000 38.708 55.047 1.00 0.00 N ATOM 979 CA SER A 64 55.175 38.716 56.511 1.00 0.00 C ATOM 980 C SER A 64 54.581 37.505 57.237 1.00 0.00 C ATOM 981 O SER A 64 54.985 37.230 58.365 1.00 0.00 O ATOM 982 CB SER A 64 54.679 40.035 57.110 1.00 0.00 C ATOM 983 OG SER A 64 53.322 40.283 56.791 1.00 0.00 O ATOM 0 H SER A 64 54.419 39.475 54.709 1.00 0.00 H new ATOM 0 HA SER A 64 56.249 38.631 56.676 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.798 40.009 58.193 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.294 40.855 56.741 1.00 0.00 H new ATOM 0 HG SER A 64 53.042 41.132 57.192 1.00 0.00 H new ATOM 989 N GLU A 65 53.717 36.732 56.571 1.00 0.00 N ATOM 990 CA GLU A 65 53.722 35.267 56.645 1.00 0.00 C ATOM 991 C GLU A 65 53.369 34.685 55.266 1.00 0.00 C ATOM 992 O GLU A 65 52.728 35.349 54.446 1.00 0.00 O ATOM 993 CB GLU A 65 52.755 34.700 57.693 1.00 0.00 C ATOM 994 CG GLU A 65 53.137 34.987 59.149 1.00 0.00 C ATOM 995 CD GLU A 65 52.417 34.051 60.123 1.00 0.00 C ATOM 996 OE1 GLU A 65 52.948 32.951 60.415 1.00 0.00 O ATOM 997 OE2 GLU A 65 51.326 34.411 60.628 1.00 0.00 O ATOM 0 H GLU A 65 52.990 37.107 55.962 1.00 0.00 H new ATOM 0 HA GLU A 65 54.726 34.975 56.952 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.761 35.108 57.507 1.00 0.00 H new ATOM 0 HB3 GLU A 65 52.687 33.621 57.557 1.00 0.00 H new ATOM 0 HG2 GLU A 65 54.215 34.878 59.270 1.00 0.00 H new ATOM 0 HG3 GLU A 65 52.892 36.021 59.391 1.00 0.00 H new ATOM 1004 N ALA A 66 53.707 33.413 55.039 1.00 0.00 N ATOM 1005 CA ALA A 66 53.203 32.611 53.920 1.00 0.00 C ATOM 1006 C ALA A 66 51.726 32.244 54.181 1.00 0.00 C ATOM 1007 O ALA A 66 51.398 31.139 54.604 1.00 0.00 O ATOM 1008 CB ALA A 66 54.123 31.394 53.746 1.00 0.00 C ATOM 0 H ALA A 66 54.352 32.901 55.640 1.00 0.00 H new ATOM 0 HA ALA A 66 53.219 33.165 52.981 1.00 0.00 H new ATOM 0 HB1 ALA A 66 53.765 30.783 52.917 1.00 0.00 H new ATOM 0 HB2 ALA A 66 55.138 31.732 53.536 1.00 0.00 H new ATOM 0 HB3 ALA A 66 54.120 30.802 54.661 1.00 0.00 H new ATOM 1162 N GLY A 78 51.225 20.517 50.326 1.00 0.00 N ATOM 1163 CA GLY A 78 52.244 19.938 49.455 1.00 0.00 C ATOM 1164 C GLY A 78 53.538 20.754 49.452 1.00 0.00 C ATOM 1165 O GLY A 78 54.364 20.566 48.562 1.00 0.00 O ATOM 0 HA2 GLY A 78 52.460 18.920 49.779 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.856 19.873 48.439 1.00 0.00 H new ATOM 1169 N ILE A 79 53.727 21.639 50.440 1.00 0.00 N ATOM 1170 CA ILE A 79 54.993 22.363 50.629 1.00 0.00 C ATOM 1171 C ILE A 79 55.880 21.668 51.667 1.00 0.00 C ATOM 1172 O ILE A 79 55.406 21.059 52.627 1.00 0.00 O ATOM 1173 CB ILE A 79 54.803 23.872 50.908 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.331 24.105 52.354 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.918 24.515 49.826 1.00 0.00 C ATOM 1176 CD1 ILE A 79 53.924 25.540 52.703 1.00 0.00 C ATOM 0 H ILE A 79 53.011 21.873 51.128 1.00 0.00 H new ATOM 0 HA ILE A 79 55.522 22.324 49.677 1.00 0.00 H new ATOM 0 HB ILE A 79 55.762 24.386 50.837 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.482 23.450 52.548 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.130 23.800 53.030 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.796 25.577 50.040 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.389 24.393 48.851 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.941 24.031 49.820 1.00 0.00 H new ATOM 0 HD11 ILE A 79 53.610 25.586 53.746 1.00 0.00 H new ATOM 0 HD12 ILE A 79 54.773 26.206 52.550 1.00 0.00 H new ATOM 0 HD13 ILE A 79 53.099 25.851 52.061 1.00 0.00 H new ATOM 1188 N LEU A 80 57.182 21.802 51.463 1.00 0.00 N ATOM 1189 CA LEU A 80 58.288 21.261 52.240 1.00 0.00 C ATOM 1190 C LEU A 80 59.254 22.388 52.645 1.00 0.00 C ATOM 1191 O LEU A 80 59.089 23.552 52.285 1.00 0.00 O ATOM 1192 CB LEU A 80 58.977 20.147 51.441 1.00 0.00 C ATOM 1193 CG LEU A 80 58.716 18.749 52.007 1.00 0.00 C ATOM 1194 CD1 LEU A 80 57.322 18.221 51.678 1.00 0.00 C ATOM 1195 CD2 LEU A 80 59.752 17.779 51.463 1.00 0.00 C ATOM 0 H LEU A 80 57.524 22.346 50.671 1.00 0.00 H new ATOM 0 HA LEU A 80 57.917 20.819 53.165 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.632 20.184 50.408 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.051 20.331 51.426 1.00 0.00 H new ATOM 0 HG LEU A 80 58.786 18.830 53.092 1.00 0.00 H new ATOM 0 HD11 LEU A 80 57.199 17.226 52.107 1.00 0.00 H new ATOM 0 HD12 LEU A 80 56.571 18.892 52.096 1.00 0.00 H new ATOM 0 HD13 LEU A 80 57.199 18.167 50.596 1.00 0.00 H new ATOM 0 HD21 LEU A 80 59.566 16.784 51.866 1.00 0.00 H new ATOM 0 HD22 LEU A 80 59.686 17.748 50.375 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.749 18.109 51.757 1.00 0.00 H new ATOM 1207 N ARG A 81 60.247 22.051 53.462 1.00 0.00 N ATOM 1208 CA ARG A 81 61.109 22.999 54.173 1.00 0.00 C ATOM 1209 C ARG A 81 62.446 22.380 54.561 1.00 0.00 C ATOM 1210 O ARG A 81 62.574 21.162 54.656 1.00 0.00 O ATOM 1211 CB ARG A 81 60.373 23.565 55.400 1.00 0.00 C ATOM 1212 CG ARG A 81 59.451 22.574 56.130 1.00 0.00 C ATOM 1213 CD ARG A 81 57.979 22.928 55.892 1.00 0.00 C ATOM 1214 NE ARG A 81 57.070 21.884 56.420 1.00 0.00 N ATOM 1215 CZ ARG A 81 55.845 21.612 55.997 1.00 0.00 C ATOM 1216 NH1 ARG A 81 55.141 22.468 55.322 1.00 0.00 N ATOM 1217 NH2 ARG A 81 55.279 20.466 56.241 1.00 0.00 N ATOM 0 H ARG A 81 60.485 21.078 53.656 1.00 0.00 H new ATOM 0 HA ARG A 81 61.336 23.821 53.493 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.114 23.935 56.108 1.00 0.00 H new ATOM 0 HB3 ARG A 81 59.779 24.422 55.083 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.648 21.561 55.780 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.666 22.589 57.199 1.00 0.00 H new ATOM 0 HD2 ARG A 81 57.753 23.882 56.369 1.00 0.00 H new ATOM 0 HD3 ARG A 81 57.804 23.056 54.824 1.00 0.00 H new ATOM 0 HE ARG A 81 57.425 21.316 57.189 1.00 0.00 H new ATOM 0 HH11 ARG A 81 55.528 23.385 55.101 1.00 0.00 H new ATOM 0 HH12 ARG A 81 54.200 22.223 55.012 1.00 0.00 H new ATOM 0 HH21 ARG A 81 55.780 19.752 56.770 1.00 0.00 H new ATOM 0 HH22 ARG A 81 54.334 20.282 55.904 1.00 0.00 H new ATOM 1231 N ARG A 82 63.433 23.250 54.757 1.00 0.00 N ATOM 1232 CA ARG A 82 64.836 22.926 55.044 1.00 0.00 C ATOM 1233 C ARG A 82 65.533 24.129 55.682 1.00 0.00 C ATOM 1234 O ARG A 82 65.595 25.219 55.127 1.00 0.00 O ATOM 1235 CB ARG A 82 65.551 22.467 53.762 1.00 0.00 C ATOM 1236 CG ARG A 82 66.571 21.346 54.006 1.00 0.00 C ATOM 1237 CD ARG A 82 67.716 21.763 54.931 1.00 0.00 C ATOM 1238 NE ARG A 82 68.803 20.768 54.948 1.00 0.00 N ATOM 1239 CZ ARG A 82 69.786 20.626 54.081 1.00 0.00 C ATOM 1240 NH1 ARG A 82 69.941 21.410 53.054 1.00 0.00 N ATOM 1241 NH2 ARG A 82 70.637 19.659 54.227 1.00 0.00 N ATOM 0 H ARG A 82 63.271 24.256 54.719 1.00 0.00 H new ATOM 0 HA ARG A 82 64.877 22.102 55.756 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.808 22.123 53.043 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.059 23.320 53.312 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.059 20.486 54.437 1.00 0.00 H new ATOM 0 HG3 ARG A 82 66.984 21.025 53.050 1.00 0.00 H new ATOM 0 HD2 ARG A 82 68.111 22.726 54.607 1.00 0.00 H new ATOM 0 HD3 ARG A 82 67.333 21.899 55.943 1.00 0.00 H new ATOM 0 HE ARG A 82 68.794 20.108 55.726 1.00 0.00 H new ATOM 0 HH11 ARG A 82 69.285 22.175 52.893 1.00 0.00 H new ATOM 0 HH12 ARG A 82 70.718 21.260 52.410 1.00 0.00 H new ATOM 0 HH21 ARG A 82 70.544 19.012 55.010 1.00 0.00 H new ATOM 0 HH22 ARG A 82 71.399 19.545 53.559 1.00 0.00 H new ATOM 1255 N LEU A 83 66.062 23.911 56.872 1.00 0.00 N ATOM 1256 CA LEU A 83 66.843 24.856 57.654 1.00 0.00 C ATOM 1257 C LEU A 83 68.355 24.641 57.485 1.00 0.00 C ATOM 1258 O LEU A 83 68.816 23.525 57.244 1.00 0.00 O ATOM 1259 CB LEU A 83 66.464 24.745 59.134 1.00 0.00 C ATOM 1260 CG LEU A 83 65.160 25.404 59.595 1.00 0.00 C ATOM 1261 CD1 LEU A 83 63.899 24.872 58.908 1.00 0.00 C ATOM 1262 CD2 LEU A 83 64.992 25.202 61.101 1.00 0.00 C ATOM 0 H LEU A 83 65.952 23.016 57.348 1.00 0.00 H new ATOM 0 HA LEU A 83 66.612 25.855 57.285 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.410 23.686 59.386 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.278 25.171 59.720 1.00 0.00 H new ATOM 0 HG LEU A 83 65.255 26.455 59.323 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.025 25.395 59.296 1.00 0.00 H new ATOM 0 HD12 LEU A 83 63.973 25.037 57.833 1.00 0.00 H new ATOM 0 HD13 LEU A 83 63.800 23.805 59.105 1.00 0.00 H new ATOM 0 HD21 LEU A 83 64.064 25.671 61.430 1.00 0.00 H new ATOM 0 HD22 LEU A 83 64.958 24.135 61.324 1.00 0.00 H new ATOM 0 HD23 LEU A 83 65.833 25.656 61.625 1.00 0.00 H new ATOM 1274 N ASP A 84 69.122 25.707 57.690 1.00 0.00 N ATOM 1275 CA ASP A 84 70.585 25.715 57.591 1.00 0.00 C ATOM 1276 C ASP A 84 71.178 26.726 58.582 1.00 0.00 C ATOM 1277 O ASP A 84 71.016 27.929 58.421 1.00 0.00 O ATOM 1278 CB ASP A 84 70.994 26.049 56.145 1.00 0.00 C ATOM 1279 CG ASP A 84 72.510 26.031 55.919 1.00 0.00 C ATOM 1280 OD1 ASP A 84 73.261 25.539 56.798 1.00 0.00 O ATOM 1281 OD2 ASP A 84 72.948 26.442 54.824 1.00 0.00 O ATOM 0 H ASP A 84 68.735 26.618 57.937 1.00 0.00 H new ATOM 0 HA ASP A 84 70.976 24.730 57.847 1.00 0.00 H new ATOM 0 HB2 ASP A 84 70.525 25.334 55.469 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.607 27.034 55.885 1.00 0.00 H new ATOM 1286 N THR A 85 71.866 26.248 59.619 1.00 0.00 N ATOM 1287 CA THR A 85 72.589 27.087 60.607 1.00 0.00 C ATOM 1288 C THR A 85 74.100 26.806 60.636 1.00 0.00 C ATOM 1289 O THR A 85 74.831 27.083 61.589 1.00 0.00 O ATOM 1290 CB THR A 85 71.896 27.017 61.979 1.00 0.00 C ATOM 1291 OG1 THR A 85 72.365 28.044 62.813 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.069 25.685 62.706 1.00 0.00 C ATOM 0 H THR A 85 71.945 25.249 59.810 1.00 0.00 H new ATOM 0 HA THR A 85 72.529 28.127 60.286 1.00 0.00 H new ATOM 0 HB THR A 85 70.833 27.129 61.768 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.344 28.073 62.777 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.549 25.723 63.663 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.652 24.882 62.098 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.129 25.498 62.876 1.00 0.00 H new ATOM 1300 N SER A 86 74.581 26.208 59.552 1.00 0.00 N ATOM 1301 CA SER A 86 75.785 25.375 59.510 1.00 0.00 C ATOM 1302 C SER A 86 77.055 26.139 59.162 1.00 0.00 C ATOM 1303 O SER A 86 78.172 25.722 59.461 1.00 0.00 O ATOM 1304 CB SER A 86 75.558 24.189 58.567 1.00 0.00 C ATOM 1305 OG SER A 86 74.191 23.815 58.469 1.00 0.00 O ATOM 0 H SER A 86 74.128 26.291 58.642 1.00 0.00 H new ATOM 0 HA SER A 86 75.954 25.007 60.522 1.00 0.00 H new ATOM 0 HB2 SER A 86 75.932 24.443 57.575 1.00 0.00 H new ATOM 0 HB3 SER A 86 76.139 23.336 58.918 1.00 0.00 H new ATOM 0 HG SER A 86 73.781 24.272 57.706 1.00 0.00 H new ATOM 1311 N LEU A 87 76.847 27.344 58.648 1.00 0.00 N ATOM 1312 CA LEU A 87 77.859 28.393 58.483 1.00 0.00 C ATOM 1313 C LEU A 87 78.054 29.241 59.750 1.00 0.00 C ATOM 1314 O LEU A 87 78.711 30.281 59.715 1.00 0.00 O ATOM 1315 CB LEU A 87 77.570 29.223 57.218 1.00 0.00 C ATOM 1316 CG LEU A 87 77.457 28.408 55.917 1.00 0.00 C ATOM 1317 CD1 LEU A 87 77.210 29.342 54.731 1.00 0.00 C ATOM 1318 CD2 LEU A 87 78.708 27.580 55.621 1.00 0.00 C ATOM 0 H LEU A 87 75.927 27.636 58.318 1.00 0.00 H new ATOM 0 HA LEU A 87 78.825 27.910 58.334 1.00 0.00 H new ATOM 0 HB2 LEU A 87 76.640 29.772 57.367 1.00 0.00 H new ATOM 0 HB3 LEU A 87 78.362 29.963 57.098 1.00 0.00 H new ATOM 0 HG LEU A 87 76.621 27.723 56.059 1.00 0.00 H new ATOM 0 HD11 LEU A 87 77.132 28.755 53.816 1.00 0.00 H new ATOM 0 HD12 LEU A 87 76.283 29.893 54.889 1.00 0.00 H new ATOM 0 HD13 LEU A 87 78.039 30.044 54.642 1.00 0.00 H new ATOM 0 HD21 LEU A 87 78.567 27.028 54.692 1.00 0.00 H new ATOM 0 HD22 LEU A 87 79.568 28.242 55.523 1.00 0.00 H new ATOM 0 HD23 LEU A 87 78.882 26.879 56.437 1.00 0.00 H new ATOM 1330 N GLY A 88 77.465 28.785 60.858 1.00 0.00 N ATOM 1331 CA GLY A 88 77.488 29.441 62.170 1.00 0.00 C ATOM 1332 C GLY A 88 76.326 30.402 62.423 1.00 0.00 C ATOM 1333 O GLY A 88 76.208 30.955 63.516 1.00 0.00 O ATOM 0 H GLY A 88 76.937 27.912 60.867 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.483 28.674 62.945 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.424 29.990 62.271 1.00 0.00 H new ATOM 1337 N CYS A 89 75.486 30.623 61.413 1.00 0.00 N ATOM 1338 CA CYS A 89 74.373 31.579 61.458 1.00 0.00 C ATOM 1339 C CYS A 89 73.093 30.986 60.821 1.00 0.00 C ATOM 1340 O CYS A 89 73.180 30.489 59.697 1.00 0.00 O ATOM 1341 CB CYS A 89 74.840 32.858 60.750 1.00 0.00 C ATOM 1342 SG CYS A 89 73.745 34.250 61.148 1.00 0.00 S ATOM 0 H CYS A 89 75.559 30.134 60.521 1.00 0.00 H new ATOM 0 HA CYS A 89 74.104 31.808 62.489 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.860 33.094 61.051 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.855 32.698 59.672 1.00 0.00 H new ATOM 0 HG CYS A 89 74.163 35.319 60.539 1.00 0.00 H new ATOM 1348 N PRO A 90 71.915 31.030 61.482 1.00 0.00 N ATOM 1349 CA PRO A 90 70.713 30.319 61.028 1.00 0.00 C ATOM 1350 C PRO A 90 69.965 31.009 59.882 1.00 0.00 C ATOM 1351 O PRO A 90 69.701 32.213 59.923 1.00 0.00 O ATOM 1352 CB PRO A 90 69.812 30.198 62.265 1.00 0.00 C ATOM 1353 CG PRO A 90 70.206 31.411 63.106 1.00 0.00 C ATOM 1354 CD PRO A 90 71.701 31.553 62.825 1.00 0.00 C ATOM 0 HA PRO A 90 71.002 29.353 60.614 1.00 0.00 H new ATOM 0 HB2 PRO A 90 68.756 30.220 61.997 1.00 0.00 H new ATOM 0 HB3 PRO A 90 69.986 29.264 62.800 1.00 0.00 H new ATOM 0 HG2 PRO A 90 69.653 32.303 62.811 1.00 0.00 H new ATOM 0 HG3 PRO A 90 70.008 31.249 64.166 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.012 32.596 62.891 1.00 0.00 H new ATOM 0 HD3 PRO A 90 72.289 30.999 63.557 1.00 0.00 H new ATOM 1362 N ARG A 91 69.574 30.210 58.887 1.00 0.00 N ATOM 1363 CA ARG A 91 68.706 30.494 57.730 1.00 0.00 C ATOM 1364 C ARG A 91 67.588 29.442 57.663 1.00 0.00 C ATOM 1365 O ARG A 91 67.726 28.325 58.168 1.00 0.00 O ATOM 1366 CB ARG A 91 69.542 30.476 56.437 1.00 0.00 C ATOM 1367 CG ARG A 91 70.698 31.492 56.441 1.00 0.00 C ATOM 1368 CD ARG A 91 70.178 32.900 56.753 1.00 0.00 C ATOM 1369 NE ARG A 91 71.245 33.919 56.724 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.874 34.395 57.784 1.00 0.00 C ATOM 1371 NH1 ARG A 91 71.551 34.073 59.001 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.865 35.222 57.660 1.00 0.00 N ATOM 0 H ARG A 91 69.890 29.240 58.865 1.00 0.00 H new ATOM 0 HA ARG A 91 68.257 31.481 57.839 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.948 29.475 56.290 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.890 30.683 55.589 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.442 31.201 57.182 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.195 31.489 55.471 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.407 33.167 56.031 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.708 32.900 57.736 1.00 0.00 H new ATOM 0 HE ARG A 91 71.519 34.285 55.812 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.781 33.426 59.170 1.00 0.00 H new ATOM 0 HH12 ARG A 91 72.068 34.468 59.787 1.00 0.00 H new ATOM 0 HH21 ARG A 91 73.171 35.516 56.732 1.00 0.00 H new ATOM 0 HH22 ARG A 91 73.338 35.579 58.490 1.00 0.00 H new ATOM 1386 N MET A 92 66.491 29.795 57.005 1.00 0.00 N ATOM 1387 CA MET A 92 65.307 28.971 56.794 1.00 0.00 C ATOM 1388 C MET A 92 64.906 29.074 55.321 1.00 0.00 C ATOM 1389 O MET A 92 64.826 30.172 54.767 1.00 0.00 O ATOM 1390 CB MET A 92 64.155 29.471 57.675 1.00 0.00 C ATOM 1391 CG MET A 92 63.727 28.509 58.778 1.00 0.00 C ATOM 1392 SD MET A 92 62.124 28.874 59.550 1.00 0.00 S ATOM 1393 CE MET A 92 62.499 30.454 60.354 1.00 0.00 C ATOM 0 H MET A 92 66.398 30.717 56.580 1.00 0.00 H new ATOM 0 HA MET A 92 65.524 27.936 57.057 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.449 30.416 58.131 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.294 29.678 57.039 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.691 27.501 58.364 1.00 0.00 H new ATOM 0 HG3 MET A 92 64.493 28.508 59.553 1.00 0.00 H new ATOM 0 HE1 MET A 92 61.613 30.816 60.876 1.00 0.00 H new ATOM 0 HE2 MET A 92 63.310 30.315 61.069 1.00 0.00 H new ATOM 0 HE3 MET A 92 62.800 31.183 59.601 1.00 0.00 H new ATOM 1403 N GLU A 93 64.635 27.943 54.685 1.00 0.00 N ATOM 1404 CA GLU A 93 64.194 27.920 53.280 1.00 0.00 C ATOM 1405 C GLU A 93 63.075 26.888 53.039 1.00 0.00 C ATOM 1406 O GLU A 93 62.952 25.892 53.761 1.00 0.00 O ATOM 1407 CB GLU A 93 65.447 27.785 52.396 1.00 0.00 C ATOM 1408 CG GLU A 93 65.234 27.952 50.886 1.00 0.00 C ATOM 1409 CD GLU A 93 66.572 28.235 50.180 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.406 27.312 50.049 1.00 0.00 O ATOM 1411 OE2 GLU A 93 66.835 29.407 49.811 1.00 0.00 O ATOM 0 H GLU A 93 64.710 27.021 55.114 1.00 0.00 H new ATOM 0 HA GLU A 93 63.706 28.853 52.999 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.178 28.525 52.722 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.887 26.803 52.573 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.783 27.049 50.475 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.538 28.770 50.699 1.00 0.00 H new ATOM 1418 N VAL A 94 62.188 27.167 52.077 1.00 0.00 N ATOM 1419 CA VAL A 94 60.956 26.413 51.815 1.00 0.00 C ATOM 1420 C VAL A 94 60.769 26.126 50.327 1.00 0.00 C ATOM 1421 O VAL A 94 61.207 26.879 49.453 1.00 0.00 O ATOM 1422 CB VAL A 94 59.697 27.075 52.420 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.851 27.353 53.921 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.263 28.388 51.758 1.00 0.00 C ATOM 0 H VAL A 94 62.312 27.951 51.437 1.00 0.00 H new ATOM 0 HA VAL A 94 61.080 25.459 52.327 1.00 0.00 H new ATOM 0 HB VAL A 94 58.924 26.330 52.230 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.941 27.818 54.300 1.00 0.00 H new ATOM 0 HG12 VAL A 94 60.026 26.415 54.449 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.695 28.023 54.082 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.372 28.769 52.256 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.066 29.120 51.841 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.042 28.209 50.706 1.00 0.00 H new ATOM 1434 N VAL A 95 60.100 25.015 50.035 1.00 0.00 N ATOM 1435 CA VAL A 95 59.830 24.559 48.661 1.00 0.00 C ATOM 1436 C VAL A 95 58.374 24.126 48.534 1.00 0.00 C ATOM 1437 O VAL A 95 57.783 23.676 49.509 1.00 0.00 O ATOM 1438 CB VAL A 95 60.792 23.423 48.230 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.257 23.703 48.613 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.451 22.053 48.831 1.00 0.00 C ATOM 0 H VAL A 95 59.722 24.393 50.750 1.00 0.00 H new ATOM 0 HA VAL A 95 60.009 25.395 47.985 1.00 0.00 H new ATOM 0 HB VAL A 95 60.664 23.397 47.148 1.00 0.00 H new ATOM 0 HG11 VAL A 95 62.884 22.873 48.286 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.590 24.622 48.130 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.336 23.813 49.695 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.171 21.313 48.481 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.492 22.112 49.919 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.448 21.759 48.521 1.00 0.00 H new ATOM 1450 N CYS A 96 57.816 24.170 47.334 1.00 0.00 N ATOM 1451 CA CYS A 96 56.660 23.422 46.961 1.00 0.00 C ATOM 1452 C CYS A 96 57.186 22.120 46.350 1.00 0.00 C ATOM 1453 O CYS A 96 58.089 22.088 45.512 1.00 0.00 O ATOM 1454 CB CYS A 96 55.844 24.307 46.034 1.00 0.00 C ATOM 1455 SG CYS A 96 54.575 23.316 45.194 1.00 0.00 S ATOM 0 H CYS A 96 58.179 24.752 46.579 1.00 0.00 H new ATOM 0 HA CYS A 96 55.989 23.143 47.774 1.00 0.00 H new ATOM 0 HB2 CYS A 96 55.374 25.109 46.603 1.00 0.00 H new ATOM 0 HB3 CYS A 96 56.496 24.778 45.299 1.00 0.00 H new ATOM 0 HG CYS A 96 54.145 23.958 44.148 1.00 0.00 H new ATOM 1460 N LYS A 97 56.655 21.029 46.869 1.00 0.00 N ATOM 1461 CA LYS A 97 56.899 19.661 46.390 1.00 0.00 C ATOM 1462 C LYS A 97 55.990 19.287 45.214 1.00 0.00 C ATOM 1463 O LYS A 97 56.367 18.426 44.420 1.00 0.00 O ATOM 1464 CB LYS A 97 56.835 18.684 47.580 1.00 0.00 C ATOM 1465 CG LYS A 97 57.154 17.236 47.192 1.00 0.00 C ATOM 1466 CD LYS A 97 55.888 16.401 46.944 1.00 0.00 C ATOM 1467 CE LYS A 97 56.302 15.107 46.250 1.00 0.00 C ATOM 1468 NZ LYS A 97 55.170 14.168 46.102 1.00 0.00 N ATOM 0 H LYS A 97 56.018 21.061 47.665 1.00 0.00 H new ATOM 0 HA LYS A 97 57.905 19.595 45.974 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.537 19.010 48.348 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.839 18.724 48.021 1.00 0.00 H new ATOM 0 HG2 LYS A 97 57.770 17.231 46.293 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.742 16.772 47.984 1.00 0.00 H new ATOM 0 HD2 LYS A 97 55.385 16.183 47.886 1.00 0.00 H new ATOM 0 HD3 LYS A 97 55.182 16.955 46.326 1.00 0.00 H new ATOM 0 HE2 LYS A 97 56.711 15.339 45.267 1.00 0.00 H new ATOM 0 HE3 LYS A 97 57.097 14.628 46.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 55.496 13.303 45.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 54.795 13.926 47.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 54.421 14.614 45.535 1.00 0.00 H new ATOM 1482 N GLN A 98 54.831 19.928 45.068 1.00 0.00 N ATOM 1483 CA GLN A 98 53.894 19.675 43.979 1.00 0.00 C ATOM 1484 C GLN A 98 54.474 20.046 42.610 1.00 0.00 C ATOM 1485 O GLN A 98 54.358 19.277 41.650 1.00 0.00 O ATOM 1486 CB GLN A 98 52.552 20.391 44.198 1.00 0.00 C ATOM 1487 CG GLN A 98 51.945 20.176 45.588 1.00 0.00 C ATOM 1488 CD GLN A 98 50.425 20.254 45.540 1.00 0.00 C ATOM 1489 OE1 GLN A 98 49.816 21.310 45.628 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.759 19.137 45.346 1.00 0.00 N ATOM 0 H GLN A 98 54.513 20.650 45.715 1.00 0.00 H new ATOM 0 HA GLN A 98 53.714 18.600 43.984 1.00 0.00 H new ATOM 0 HB2 GLN A 98 52.693 21.460 44.037 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.842 20.046 43.446 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.250 19.204 45.975 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.329 20.929 46.277 1.00 0.00 H new ATOM 0 HE21 GLN A 98 50.259 18.251 45.271 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.742 19.156 45.270 1.00 0.00 H new ATOM 1499 N CYS A 99 55.123 21.202 42.555 1.00 0.00 N ATOM 1500 CA CYS A 99 55.790 21.791 41.408 1.00 0.00 C ATOM 1501 C CYS A 99 57.322 21.583 41.420 1.00 0.00 C ATOM 1502 O CYS A 99 57.976 21.777 40.393 1.00 0.00 O ATOM 1503 CB CYS A 99 55.385 23.269 41.390 1.00 0.00 C ATOM 1504 SG CYS A 99 55.078 24.012 43.013 1.00 0.00 S ATOM 0 H CYS A 99 55.201 21.797 43.380 1.00 0.00 H new ATOM 0 HA CYS A 99 55.478 21.295 40.489 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.171 23.837 40.892 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.484 23.374 40.785 1.00 0.00 H new ATOM 0 HG CYS A 99 55.616 23.273 43.937 1.00 0.00 H new ATOM 1509 N GLU A 100 57.871 21.192 42.575 1.00 0.00 N ATOM 1510 CA GLU A 100 59.304 21.161 42.907 1.00 0.00 C ATOM 1511 C GLU A 100 59.947 22.570 42.923 1.00 0.00 C ATOM 1512 O GLU A 100 61.164 22.738 42.758 1.00 0.00 O ATOM 1513 CB GLU A 100 60.033 20.049 42.131 1.00 0.00 C ATOM 1514 CG GLU A 100 59.505 18.679 42.576 1.00 0.00 C ATOM 1515 CD GLU A 100 59.917 17.532 41.654 1.00 0.00 C ATOM 1516 OE1 GLU A 100 61.131 17.406 41.363 1.00 0.00 O ATOM 1517 OE2 GLU A 100 59.045 16.708 41.288 1.00 0.00 O ATOM 0 H GLU A 100 57.294 20.869 43.352 1.00 0.00 H new ATOM 0 HA GLU A 100 59.427 20.860 43.947 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.879 20.179 41.060 1.00 0.00 H new ATOM 0 HB3 GLU A 100 61.107 20.111 42.309 1.00 0.00 H new ATOM 0 HG2 GLU A 100 59.865 18.471 43.583 1.00 0.00 H new ATOM 0 HG3 GLU A 100 58.417 18.718 42.628 1.00 0.00 H new ATOM 1524 N ALA A 101 59.112 23.591 43.157 1.00 0.00 N ATOM 1525 CA ALA A 101 59.446 25.008 43.158 1.00 0.00 C ATOM 1526 C ALA A 101 60.074 25.475 44.489 1.00 0.00 C ATOM 1527 O ALA A 101 59.408 25.802 45.469 1.00 0.00 O ATOM 1528 CB ALA A 101 58.182 25.782 42.766 1.00 0.00 C ATOM 0 H ALA A 101 58.126 23.432 43.363 1.00 0.00 H new ATOM 0 HA ALA A 101 60.228 25.209 42.426 1.00 0.00 H new ATOM 0 HB1 ALA A 101 58.398 26.850 42.757 1.00 0.00 H new ATOM 0 HB2 ALA A 101 57.857 25.469 41.774 1.00 0.00 H new ATOM 0 HB3 ALA A 101 57.392 25.578 43.488 1.00 0.00 H new ATOM 1534 N HIS A 102 61.401 25.558 44.508 1.00 0.00 N ATOM 1535 CA HIS A 102 62.223 25.955 45.657 1.00 0.00 C ATOM 1536 C HIS A 102 62.454 27.478 45.714 1.00 0.00 C ATOM 1537 O HIS A 102 63.546 27.969 45.415 1.00 0.00 O ATOM 1538 CB HIS A 102 63.505 25.104 45.622 1.00 0.00 C ATOM 1539 CG HIS A 102 64.168 25.024 44.265 1.00 0.00 C ATOM 1540 ND1 HIS A 102 63.859 24.136 43.254 1.00 0.00 N ATOM 1541 CD2 HIS A 102 65.162 25.839 43.795 1.00 0.00 C ATOM 1542 CE1 HIS A 102 64.656 24.405 42.208 1.00 0.00 C ATOM 1543 NE2 HIS A 102 65.460 25.449 42.483 1.00 0.00 N ATOM 0 H HIS A 102 61.964 25.341 43.685 1.00 0.00 H new ATOM 0 HA HIS A 102 61.707 25.754 46.596 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.218 25.514 46.337 1.00 0.00 H new ATOM 0 HB3 HIS A 102 63.265 24.094 45.955 1.00 0.00 H new ATOM 0 HD1 HIS A 102 63.150 23.404 43.295 1.00 0.00 H new ATOM 0 HD2 HIS A 102 65.634 26.643 44.340 1.00 0.00 H new ATOM 0 HE1 HIS A 102 64.653 23.860 41.276 1.00 0.00 H new ATOM 1551 N LEU A 103 61.386 28.238 45.997 1.00 0.00 N ATOM 1552 CA LEU A 103 61.303 29.677 45.664 1.00 0.00 C ATOM 1553 C LEU A 103 61.049 30.664 46.808 1.00 0.00 C ATOM 1554 O LEU A 103 61.031 31.880 46.585 1.00 0.00 O ATOM 1555 CB LEU A 103 60.216 29.886 44.602 1.00 0.00 C ATOM 1556 CG LEU A 103 60.311 29.022 43.343 1.00 0.00 C ATOM 1557 CD1 LEU A 103 59.173 29.440 42.427 1.00 0.00 C ATOM 1558 CD2 LEU A 103 61.646 29.131 42.616 1.00 0.00 C ATOM 0 H LEU A 103 60.553 27.877 46.463 1.00 0.00 H new ATOM 0 HA LEU A 103 62.310 29.914 45.320 1.00 0.00 H new ATOM 0 HB2 LEU A 103 59.247 29.705 45.067 1.00 0.00 H new ATOM 0 HB3 LEU A 103 60.233 30.933 44.299 1.00 0.00 H new ATOM 0 HG LEU A 103 60.236 27.975 43.638 1.00 0.00 H new ATOM 0 HD11 LEU A 103 59.204 28.846 41.514 1.00 0.00 H new ATOM 0 HD12 LEU A 103 58.221 29.279 42.933 1.00 0.00 H new ATOM 0 HD13 LEU A 103 59.276 30.496 42.177 1.00 0.00 H new ATOM 0 HD21 LEU A 103 61.634 28.489 41.735 1.00 0.00 H new ATOM 0 HD22 LEU A 103 61.810 30.164 42.310 1.00 0.00 H new ATOM 0 HD23 LEU A 103 62.450 28.818 43.282 1.00 0.00 H new ATOM 1570 N GLY A 104 60.819 30.139 48.000 1.00 0.00 N ATOM 1571 CA GLY A 104 60.514 30.861 49.222 1.00 0.00 C ATOM 1572 C GLY A 104 61.588 30.668 50.288 1.00 0.00 C ATOM 1573 O GLY A 104 62.070 29.565 50.521 1.00 0.00 O ATOM 0 H GLY A 104 60.842 29.130 48.148 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.413 31.923 48.999 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.553 30.524 49.611 1.00 0.00 H new ATOM 1577 N HIS A 105 61.970 31.753 50.945 1.00 0.00 N ATOM 1578 CA HIS A 105 63.079 31.787 51.894 1.00 0.00 C ATOM 1579 C HIS A 105 62.868 32.861 52.959 1.00 0.00 C ATOM 1580 O HIS A 105 62.224 33.881 52.719 1.00 0.00 O ATOM 1581 CB HIS A 105 64.413 32.020 51.165 1.00 0.00 C ATOM 1582 CG HIS A 105 64.309 32.299 49.688 1.00 0.00 C ATOM 1583 ND1 HIS A 105 63.792 33.432 49.115 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.462 31.377 48.697 1.00 0.00 C ATOM 1585 CE1 HIS A 105 63.624 33.200 47.807 1.00 0.00 C ATOM 1586 NE2 HIS A 105 64.046 31.965 47.490 1.00 0.00 N ATOM 0 H HIS A 105 61.509 32.656 50.832 1.00 0.00 H new ATOM 0 HA HIS A 105 63.114 30.818 52.391 1.00 0.00 H new ATOM 0 HB2 HIS A 105 64.924 32.858 51.639 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.042 31.141 51.307 1.00 0.00 H new ATOM 0 HD2 HIS A 105 64.837 30.371 48.817 1.00 0.00 H new ATOM 0 HE1 HIS A 105 63.207 33.907 47.105 1.00 0.00 H new ATOM 0 HE2 HIS A 105 64.061 31.540 46.563 1.00 0.00 H new ATOM 1594 N VAL A 106 63.452 32.644 54.133 1.00 0.00 N ATOM 1595 CA VAL A 106 63.332 33.586 55.263 1.00 0.00 C ATOM 1596 C VAL A 106 64.609 33.680 56.094 1.00 0.00 C ATOM 1597 O VAL A 106 65.169 32.684 56.557 1.00 0.00 O ATOM 1598 CB VAL A 106 62.056 33.327 56.094 1.00 0.00 C ATOM 1599 CG1 VAL A 106 61.938 31.920 56.666 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.891 34.312 57.256 1.00 0.00 C ATOM 0 H VAL A 106 64.019 31.821 54.337 1.00 0.00 H new ATOM 0 HA VAL A 106 63.209 34.583 54.839 1.00 0.00 H new ATOM 0 HB VAL A 106 61.264 33.467 55.358 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.011 31.834 57.233 1.00 0.00 H new ATOM 0 HG12 VAL A 106 61.934 31.195 55.852 1.00 0.00 H new ATOM 0 HG13 VAL A 106 62.785 31.722 57.323 1.00 0.00 H new ATOM 0 HG21 VAL A 106 60.977 34.080 57.803 1.00 0.00 H new ATOM 0 HG22 VAL A 106 62.746 34.230 57.927 1.00 0.00 H new ATOM 0 HG23 VAL A 106 61.832 35.328 56.866 1.00 0.00 H new ATOM 1610 N PHE A 107 65.086 34.918 56.252 1.00 0.00 N ATOM 1611 CA PHE A 107 66.394 35.243 56.825 1.00 0.00 C ATOM 1612 C PHE A 107 66.283 36.311 57.938 1.00 0.00 C ATOM 1613 O PHE A 107 65.460 37.230 57.831 1.00 0.00 O ATOM 1614 CB PHE A 107 67.351 35.720 55.711 1.00 0.00 C ATOM 1615 CG PHE A 107 67.403 34.911 54.415 1.00 0.00 C ATOM 1616 CD1 PHE A 107 67.381 33.500 54.418 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.488 35.587 53.181 1.00 0.00 C ATOM 1618 CE1 PHE A 107 67.414 32.779 53.211 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.529 34.867 51.972 1.00 0.00 C ATOM 1620 CZ PHE A 107 67.482 33.464 51.987 1.00 0.00 C ATOM 0 H PHE A 107 64.557 35.745 55.977 1.00 0.00 H new ATOM 0 HA PHE A 107 66.795 34.339 57.282 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.081 36.744 55.455 1.00 0.00 H new ATOM 0 HB3 PHE A 107 68.358 35.750 56.126 1.00 0.00 H new ATOM 0 HD1 PHE A 107 67.338 32.968 55.357 1.00 0.00 H new ATOM 0 HD2 PHE A 107 67.522 36.666 53.163 1.00 0.00 H new ATOM 0 HE1 PHE A 107 67.387 31.699 53.225 1.00 0.00 H new ATOM 0 HE2 PHE A 107 67.597 35.394 51.032 1.00 0.00 H new ATOM 0 HZ PHE A 107 67.498 32.912 51.059 1.00 0.00 H new ATOM 1630 N PRO A 108 67.112 36.242 59.000 1.00 0.00 N ATOM 1631 CA PRO A 108 67.153 37.252 60.060 1.00 0.00 C ATOM 1632 C PRO A 108 67.784 38.572 59.588 1.00 0.00 C ATOM 1633 O PRO A 108 68.387 38.655 58.515 1.00 0.00 O ATOM 1634 CB PRO A 108 67.940 36.602 61.203 1.00 0.00 C ATOM 1635 CG PRO A 108 68.913 35.684 60.465 1.00 0.00 C ATOM 1636 CD PRO A 108 68.083 35.190 59.280 1.00 0.00 C ATOM 0 HA PRO A 108 66.150 37.537 60.379 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.463 37.344 61.807 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.289 36.044 61.876 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.805 36.219 60.139 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.248 34.860 61.095 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.716 35.002 58.412 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.583 34.251 59.519 1.00 0.00 H new ATOM 1644 N ASP A 109 67.627 39.622 60.390 1.00 0.00 N ATOM 1645 CA ASP A 109 68.091 40.995 60.134 1.00 0.00 C ATOM 1646 C ASP A 109 69.267 41.465 61.005 1.00 0.00 C ATOM 1647 O ASP A 109 69.882 42.495 60.733 1.00 0.00 O ATOM 1648 CB ASP A 109 66.880 41.947 60.228 1.00 0.00 C ATOM 1649 CG ASP A 109 66.181 41.957 61.599 1.00 0.00 C ATOM 1650 OD1 ASP A 109 66.177 40.901 62.275 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.611 43.015 61.956 1.00 0.00 O ATOM 0 H ASP A 109 67.147 39.540 61.286 1.00 0.00 H new ATOM 0 HA ASP A 109 68.511 41.008 59.128 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.211 42.959 59.996 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.153 41.666 59.466 1.00 0.00 H new ATOM 1656 N GLY A 110 69.625 40.665 62.003 1.00 0.00 N ATOM 1657 CA GLY A 110 70.647 40.966 63.021 1.00 0.00 C ATOM 1658 C GLY A 110 70.232 40.623 64.464 1.00 0.00 C ATOM 1659 O GLY A 110 70.948 39.860 65.117 1.00 0.00 O ATOM 0 H GLY A 110 69.198 39.749 62.138 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.557 40.417 62.778 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.892 42.027 62.969 1.00 0.00 H new ATOM 1663 N PRO A 111 69.108 41.154 64.988 1.00 0.00 N ATOM 1664 CA PRO A 111 68.546 40.795 66.298 1.00 0.00 C ATOM 1665 C PRO A 111 67.913 39.380 66.326 1.00 0.00 C ATOM 1666 O PRO A 111 68.271 38.479 65.560 1.00 0.00 O ATOM 1667 CB PRO A 111 67.567 41.945 66.612 1.00 0.00 C ATOM 1668 CG PRO A 111 67.070 42.369 65.236 1.00 0.00 C ATOM 1669 CD PRO A 111 68.347 42.259 64.413 1.00 0.00 C ATOM 0 HA PRO A 111 69.309 40.706 67.071 1.00 0.00 H new ATOM 0 HB2 PRO A 111 66.748 41.613 67.251 1.00 0.00 H new ATOM 0 HB3 PRO A 111 68.063 42.765 67.131 1.00 0.00 H new ATOM 0 HG2 PRO A 111 66.283 41.714 64.863 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.668 43.382 65.238 1.00 0.00 H new ATOM 0 HD2 PRO A 111 68.119 42.070 63.364 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.917 43.187 64.453 1.00 0.00 H new ATOM 1677 N LYS A 112 66.999 39.152 67.280 1.00 0.00 N ATOM 1678 CA LYS A 112 66.211 37.915 67.438 1.00 0.00 C ATOM 1679 C LYS A 112 65.426 37.580 66.154 1.00 0.00 C ATOM 1680 O LYS A 112 65.067 38.489 65.407 1.00 0.00 O ATOM 1681 CB LYS A 112 65.258 38.059 68.647 1.00 0.00 C ATOM 1682 CG LYS A 112 65.834 37.563 69.987 1.00 0.00 C ATOM 1683 CD LYS A 112 67.137 38.225 70.452 1.00 0.00 C ATOM 1684 CE LYS A 112 66.847 39.654 70.920 1.00 0.00 C ATOM 1685 NZ LYS A 112 66.507 39.720 72.360 1.00 0.00 N ATOM 0 H LYS A 112 66.778 39.849 67.991 1.00 0.00 H new ATOM 0 HA LYS A 112 66.896 37.087 67.621 1.00 0.00 H new ATOM 0 HB2 LYS A 112 64.983 39.109 68.752 1.00 0.00 H new ATOM 0 HB3 LYS A 112 64.341 37.509 68.436 1.00 0.00 H new ATOM 0 HG2 LYS A 112 65.080 37.712 70.760 1.00 0.00 H new ATOM 0 HG3 LYS A 112 66.004 36.489 69.910 1.00 0.00 H new ATOM 0 HD2 LYS A 112 67.580 37.648 71.264 1.00 0.00 H new ATOM 0 HD3 LYS A 112 67.861 38.238 69.638 1.00 0.00 H new ATOM 0 HE2 LYS A 112 67.718 40.280 70.726 1.00 0.00 H new ATOM 0 HE3 LYS A 112 66.023 40.064 70.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 66.319 40.707 72.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 65.660 39.145 72.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 67.302 39.354 72.922 1.00 0.00 H new ATOM 1699 N PRO A 113 65.079 36.297 65.914 1.00 0.00 N ATOM 1700 CA PRO A 113 64.333 35.869 64.722 1.00 0.00 C ATOM 1701 C PRO A 113 62.928 36.493 64.595 1.00 0.00 C ATOM 1702 O PRO A 113 62.290 36.377 63.551 1.00 0.00 O ATOM 1703 CB PRO A 113 64.277 34.339 64.807 1.00 0.00 C ATOM 1704 CG PRO A 113 64.384 34.059 66.301 1.00 0.00 C ATOM 1705 CD PRO A 113 65.343 35.147 66.772 1.00 0.00 C ATOM 0 HA PRO A 113 64.838 36.216 63.821 1.00 0.00 H new ATOM 0 HB2 PRO A 113 63.348 33.948 64.391 1.00 0.00 H new ATOM 0 HB3 PRO A 113 65.094 33.876 64.253 1.00 0.00 H new ATOM 0 HG2 PRO A 113 63.416 34.128 66.797 1.00 0.00 H new ATOM 0 HG3 PRO A 113 64.773 33.061 66.500 1.00 0.00 H new ATOM 0 HD2 PRO A 113 65.174 35.392 67.820 1.00 0.00 H new ATOM 0 HD3 PRO A 113 66.380 34.821 66.684 1.00 0.00 H new ATOM 1713 N THR A 114 62.462 37.216 65.613 1.00 0.00 N ATOM 1714 CA THR A 114 61.295 38.108 65.546 1.00 0.00 C ATOM 1715 C THR A 114 61.416 39.208 64.477 1.00 0.00 C ATOM 1716 O THR A 114 60.389 39.637 63.953 1.00 0.00 O ATOM 1717 CB THR A 114 61.082 38.769 66.918 1.00 0.00 C ATOM 1718 OG1 THR A 114 62.330 39.133 67.479 1.00 0.00 O ATOM 1719 CG2 THR A 114 60.419 37.811 67.905 1.00 0.00 C ATOM 0 H THR A 114 62.896 37.200 66.536 1.00 0.00 H new ATOM 0 HA THR A 114 60.446 37.485 65.265 1.00 0.00 H new ATOM 0 HB THR A 114 60.445 39.639 66.755 1.00 0.00 H new ATOM 0 HG1 THR A 114 62.186 39.555 68.352 1.00 0.00 H new ATOM 0 HG21 THR A 114 60.284 38.312 68.864 1.00 0.00 H new ATOM 0 HG22 THR A 114 59.448 37.503 67.517 1.00 0.00 H new ATOM 0 HG23 THR A 114 61.051 36.933 68.040 1.00 0.00 H new ATOM 1727 N GLY A 115 62.633 39.632 64.109 1.00 0.00 N ATOM 1728 CA GLY A 115 62.903 40.631 63.060 1.00 0.00 C ATOM 1729 C GLY A 115 63.006 40.091 61.623 1.00 0.00 C ATOM 1730 O GLY A 115 63.321 40.849 60.702 1.00 0.00 O ATOM 0 H GLY A 115 63.485 39.279 64.546 1.00 0.00 H new ATOM 0 HA2 GLY A 115 62.113 41.381 63.089 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.835 41.140 63.303 1.00 0.00 H new ATOM 1734 N GLN A 116 62.757 38.793 61.415 1.00 0.00 N ATOM 1735 CA GLN A 116 62.934 38.103 60.129 1.00 0.00 C ATOM 1736 C GLN A 116 62.202 38.749 58.936 1.00 0.00 C ATOM 1737 O GLN A 116 61.108 39.302 59.064 1.00 0.00 O ATOM 1738 CB GLN A 116 62.535 36.634 60.253 1.00 0.00 C ATOM 1739 CG GLN A 116 63.742 35.828 60.731 1.00 0.00 C ATOM 1740 CD GLN A 116 63.394 34.381 60.984 1.00 0.00 C ATOM 1741 OE1 GLN A 116 63.965 33.461 60.421 1.00 0.00 O ATOM 1742 NE2 GLN A 116 62.473 34.132 61.873 1.00 0.00 N ATOM 0 H GLN A 116 62.418 38.177 62.154 1.00 0.00 H new ATOM 0 HA GLN A 116 63.996 38.194 59.903 1.00 0.00 H new ATOM 0 HB2 GLN A 116 61.709 36.527 60.956 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.187 36.256 59.292 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.534 35.885 59.984 1.00 0.00 H new ATOM 0 HG3 GLN A 116 64.134 36.272 61.646 1.00 0.00 H new ATOM 0 HE21 GLN A 116 61.996 34.902 62.343 1.00 0.00 H new ATOM 0 HE22 GLN A 116 62.229 33.168 62.098 1.00 0.00 H new ATOM 1751 N ARG A 117 62.785 38.587 57.739 1.00 0.00 N ATOM 1752 CA ARG A 117 62.174 38.948 56.452 1.00 0.00 C ATOM 1753 C ARG A 117 62.086 37.735 55.529 1.00 0.00 C ATOM 1754 O ARG A 117 63.075 37.036 55.307 1.00 0.00 O ATOM 1755 CB ARG A 117 62.863 40.162 55.798 1.00 0.00 C ATOM 1756 CG ARG A 117 64.396 40.078 55.694 1.00 0.00 C ATOM 1757 CD ARG A 117 65.106 40.688 56.913 1.00 0.00 C ATOM 1758 NE ARG A 117 66.538 40.346 56.924 1.00 0.00 N ATOM 1759 CZ ARG A 117 67.486 40.860 56.168 1.00 0.00 C ATOM 1760 NH1 ARG A 117 67.274 41.798 55.295 1.00 0.00 N ATOM 1761 NH2 ARG A 117 68.701 40.418 56.273 1.00 0.00 N ATOM 0 H ARG A 117 63.719 38.191 57.637 1.00 0.00 H new ATOM 0 HA ARG A 117 61.151 39.269 56.647 1.00 0.00 H new ATOM 0 HB2 ARG A 117 62.455 40.293 54.796 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.603 41.055 56.367 1.00 0.00 H new ATOM 0 HG2 ARG A 117 64.693 39.034 55.590 1.00 0.00 H new ATOM 0 HG3 ARG A 117 64.724 40.594 54.792 1.00 0.00 H new ATOM 0 HD2 ARG A 117 64.989 41.772 56.900 1.00 0.00 H new ATOM 0 HD3 ARG A 117 64.637 40.327 57.828 1.00 0.00 H new ATOM 0 HE ARG A 117 66.828 39.631 57.591 1.00 0.00 H new ATOM 0 HH11 ARG A 117 66.334 42.174 55.168 1.00 0.00 H new ATOM 0 HH12 ARG A 117 68.047 42.159 54.736 1.00 0.00 H new ATOM 0 HH21 ARG A 117 68.918 39.676 56.938 1.00 0.00 H new ATOM 0 HH22 ARG A 117 69.439 40.812 55.690 1.00 0.00 H new ATOM 1775 N PHE A 118 60.882 37.486 55.018 1.00 0.00 N ATOM 1776 CA PHE A 118 60.537 36.325 54.191 1.00 0.00 C ATOM 1777 C PHE A 118 60.346 36.771 52.739 1.00 0.00 C ATOM 1778 O PHE A 118 59.323 37.356 52.391 1.00 0.00 O ATOM 1779 CB PHE A 118 59.285 35.672 54.790 1.00 0.00 C ATOM 1780 CG PHE A 118 58.905 34.249 54.392 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.137 33.724 53.103 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.289 33.430 55.361 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.783 32.396 52.802 1.00 0.00 C ATOM 1784 CE2 PHE A 118 57.932 32.104 55.059 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.183 31.585 53.779 1.00 0.00 C ATOM 0 H PHE A 118 60.089 38.108 55.173 1.00 0.00 H new ATOM 0 HA PHE A 118 61.335 35.582 54.184 1.00 0.00 H new ATOM 0 HB2 PHE A 118 59.398 35.687 55.874 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.437 36.314 54.549 1.00 0.00 H new ATOM 0 HD1 PHE A 118 59.589 34.345 52.343 1.00 0.00 H new ATOM 0 HD2 PHE A 118 58.089 33.826 56.346 1.00 0.00 H new ATOM 0 HE1 PHE A 118 58.973 31.999 51.816 1.00 0.00 H new ATOM 0 HE2 PHE A 118 57.465 31.485 55.811 1.00 0.00 H new ATOM 0 HZ PHE A 118 57.915 30.565 53.546 1.00 0.00 H new ATOM 1795 N CYS A 119 61.346 36.496 51.911 1.00 0.00 N ATOM 1796 CA CYS A 119 61.430 36.807 50.481 1.00 0.00 C ATOM 1797 C CYS A 119 60.920 35.622 49.639 1.00 0.00 C ATOM 1798 O CYS A 119 61.265 34.472 49.911 1.00 0.00 O ATOM 1799 CB CYS A 119 62.875 37.223 50.156 1.00 0.00 C ATOM 1800 SG CYS A 119 64.120 36.084 50.831 1.00 0.00 S ATOM 0 H CYS A 119 62.183 36.015 52.241 1.00 0.00 H new ATOM 0 HA CYS A 119 60.781 37.644 50.225 1.00 0.00 H new ATOM 0 HB2 CYS A 119 62.994 37.281 49.074 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.055 38.223 50.551 1.00 0.00 H new ATOM 0 HG CYS A 119 64.125 34.985 50.136 1.00 0.00 H new ATOM 1806 N ILE A 120 60.124 35.877 48.595 1.00 0.00 N ATOM 1807 CA ILE A 120 59.632 34.830 47.674 1.00 0.00 C ATOM 1808 C ILE A 120 59.803 35.308 46.229 1.00 0.00 C ATOM 1809 O ILE A 120 59.478 36.452 45.921 1.00 0.00 O ATOM 1810 CB ILE A 120 58.185 34.399 47.982 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.998 34.024 49.473 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.747 33.244 47.056 1.00 0.00 C ATOM 1813 CD1 ILE A 120 56.618 33.469 49.843 1.00 0.00 C ATOM 0 H ILE A 120 59.799 36.814 48.359 1.00 0.00 H new ATOM 0 HA ILE A 120 60.232 33.932 47.820 1.00 0.00 H new ATOM 0 HB ILE A 120 57.540 35.256 47.785 1.00 0.00 H new ATOM 0 HG12 ILE A 120 58.752 33.284 49.741 1.00 0.00 H new ATOM 0 HG13 ILE A 120 58.189 34.909 50.080 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.722 32.957 47.292 1.00 0.00 H new ATOM 0 HG22 ILE A 120 57.802 33.569 46.017 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.407 32.389 47.204 1.00 0.00 H new ATOM 0 HD11 ILE A 120 56.592 33.238 50.908 1.00 0.00 H new ATOM 0 HD12 ILE A 120 55.854 34.212 49.614 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.425 32.562 49.271 1.00 0.00 H new ATOM 1825 N ASN A 121 60.328 34.457 45.341 1.00 0.00 N ATOM 1826 CA ASN A 121 60.690 34.855 43.973 1.00 0.00 C ATOM 1827 C ASN A 121 59.777 34.242 42.894 1.00 0.00 C ATOM 1828 O ASN A 121 59.506 33.045 42.891 1.00 0.00 O ATOM 1829 CB ASN A 121 62.193 34.631 43.734 1.00 0.00 C ATOM 1830 CG ASN A 121 62.570 33.229 43.300 1.00 0.00 C ATOM 1831 OD1 ASN A 121 62.765 32.969 42.127 1.00 0.00 O ATOM 1832 ND2 ASN A 121 62.771 32.316 44.220 1.00 0.00 N ATOM 0 H ASN A 121 60.514 33.476 45.548 1.00 0.00 H new ATOM 0 HA ASN A 121 60.508 35.925 43.875 1.00 0.00 H new ATOM 0 HB2 ASN A 121 62.534 35.334 42.974 1.00 0.00 H new ATOM 0 HB3 ASN A 121 62.731 34.868 44.652 1.00 0.00 H new ATOM 0 HD21 ASN A 121 63.092 31.385 43.953 1.00 0.00 H new ATOM 0 HD22 ASN A 121 62.607 32.537 45.202 1.00 0.00 H new ATOM 1839 N SER A 122 59.317 35.070 41.955 1.00 0.00 N ATOM 1840 CA SER A 122 58.201 34.749 41.049 1.00 0.00 C ATOM 1841 C SER A 122 58.562 33.914 39.810 1.00 0.00 C ATOM 1842 O SER A 122 57.785 33.884 38.862 1.00 0.00 O ATOM 1843 CB SER A 122 57.490 36.038 40.611 1.00 0.00 C ATOM 1844 OG SER A 122 57.299 36.915 41.708 1.00 0.00 O ATOM 0 H SER A 122 59.711 35.997 41.796 1.00 0.00 H new ATOM 0 HA SER A 122 57.544 34.111 41.640 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.078 36.537 39.841 1.00 0.00 H new ATOM 0 HB3 SER A 122 56.526 35.792 40.166 1.00 0.00 H new ATOM 0 HG SER A 122 56.846 37.728 41.402 1.00 0.00 H new ATOM 1850 N VAL A 123 59.726 33.254 39.768 1.00 0.00 N ATOM 1851 CA VAL A 123 60.315 32.693 38.525 1.00 0.00 C ATOM 1852 C VAL A 123 59.439 31.653 37.810 1.00 0.00 C ATOM 1853 O VAL A 123 59.561 31.460 36.603 1.00 0.00 O ATOM 1854 CB VAL A 123 61.713 32.130 38.825 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.684 30.809 39.595 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.564 31.967 37.564 1.00 0.00 C ATOM 0 H VAL A 123 60.297 33.088 40.597 1.00 0.00 H new ATOM 0 HA VAL A 123 60.386 33.521 37.820 1.00 0.00 H new ATOM 0 HB VAL A 123 62.176 32.880 39.466 1.00 0.00 H new ATOM 0 HG11 VAL A 123 62.704 30.469 39.773 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.179 30.955 40.550 1.00 0.00 H new ATOM 0 HG13 VAL A 123 61.148 30.060 39.012 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.541 31.566 37.834 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.068 31.282 36.876 1.00 0.00 H new ATOM 0 HG23 VAL A 123 62.690 32.937 37.082 1.00 0.00 H new ATOM 1866 N ALA A 124 58.546 31.019 38.566 1.00 0.00 N ATOM 1867 CA ALA A 124 57.531 30.073 38.087 1.00 0.00 C ATOM 1868 C ALA A 124 56.121 30.325 38.678 1.00 0.00 C ATOM 1869 O ALA A 124 55.300 29.407 38.732 1.00 0.00 O ATOM 1870 CB ALA A 124 58.040 28.645 38.340 1.00 0.00 C ATOM 0 H ALA A 124 58.505 31.154 39.576 1.00 0.00 H new ATOM 0 HA ALA A 124 57.393 30.223 37.016 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.298 27.927 37.990 1.00 0.00 H new ATOM 0 HB2 ALA A 124 58.976 28.492 37.802 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.208 28.502 39.408 1.00 0.00 H new ATOM 1876 N LEU A 125 55.837 31.550 39.149 1.00 0.00 N ATOM 1877 CA LEU A 125 54.626 31.880 39.910 1.00 0.00 C ATOM 1878 C LEU A 125 53.786 32.990 39.252 1.00 0.00 C ATOM 1879 O LEU A 125 54.304 33.996 38.766 1.00 0.00 O ATOM 1880 CB LEU A 125 54.983 32.285 41.352 1.00 0.00 C ATOM 1881 CG LEU A 125 55.877 31.323 42.159 1.00 0.00 C ATOM 1882 CD1 LEU A 125 56.135 31.912 43.548 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.244 29.946 42.340 1.00 0.00 C ATOM 0 H LEU A 125 56.454 32.350 39.008 1.00 0.00 H new ATOM 0 HA LEU A 125 54.017 30.976 39.921 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.479 33.255 41.316 1.00 0.00 H new ATOM 0 HB3 LEU A 125 54.053 32.422 41.903 1.00 0.00 H new ATOM 0 HG LEU A 125 56.803 31.203 41.596 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.767 31.233 44.120 1.00 0.00 H new ATOM 0 HD12 LEU A 125 56.635 32.875 43.448 1.00 0.00 H new ATOM 0 HD13 LEU A 125 55.186 32.048 44.067 1.00 0.00 H new ATOM 0 HD21 LEU A 125 55.916 29.309 42.915 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.298 30.048 42.871 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.066 29.496 41.363 1.00 0.00 H new ATOM 1895 N LYS A 126 52.466 32.819 39.307 1.00 0.00 N ATOM 1896 CA LYS A 126 51.408 33.741 38.875 1.00 0.00 C ATOM 1897 C LYS A 126 50.548 34.224 40.048 1.00 0.00 C ATOM 1898 O LYS A 126 50.804 33.907 41.208 1.00 0.00 O ATOM 1899 CB LYS A 126 50.614 33.019 37.789 1.00 0.00 C ATOM 1900 CG LYS A 126 51.442 33.036 36.493 1.00 0.00 C ATOM 1901 CD LYS A 126 50.578 33.429 35.309 1.00 0.00 C ATOM 1902 CE LYS A 126 50.231 34.921 35.403 1.00 0.00 C ATOM 1903 NZ LYS A 126 49.112 35.256 34.492 1.00 0.00 N ATOM 0 H LYS A 126 52.072 31.958 39.687 1.00 0.00 H new ATOM 0 HA LYS A 126 51.830 34.660 38.468 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.403 31.993 38.091 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.653 33.509 37.632 1.00 0.00 H new ATOM 0 HG2 LYS A 126 52.270 33.738 36.594 1.00 0.00 H new ATOM 0 HG3 LYS A 126 51.877 32.052 36.321 1.00 0.00 H new ATOM 0 HD2 LYS A 126 51.105 33.225 34.377 1.00 0.00 H new ATOM 0 HD3 LYS A 126 49.666 32.832 35.297 1.00 0.00 H new ATOM 0 HE2 LYS A 126 49.960 35.173 36.428 1.00 0.00 H new ATOM 0 HE3 LYS A 126 51.106 35.520 35.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 48.892 36.270 34.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 49.384 35.035 33.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 48.273 34.699 34.753 1.00 0.00 H new ATOM 1917 N PHE A 127 49.587 35.096 39.758 1.00 0.00 N ATOM 1918 CA PHE A 127 48.842 35.864 40.750 1.00 0.00 C ATOM 1919 C PHE A 127 47.422 36.198 40.280 1.00 0.00 C ATOM 1920 O PHE A 127 47.192 36.407 39.089 1.00 0.00 O ATOM 1921 CB PHE A 127 49.641 37.135 41.078 1.00 0.00 C ATOM 1922 CG PHE A 127 50.211 37.867 39.869 1.00 0.00 C ATOM 1923 CD1 PHE A 127 49.398 38.714 39.092 1.00 0.00 C ATOM 1924 CD2 PHE A 127 51.548 37.642 39.481 1.00 0.00 C ATOM 1925 CE1 PHE A 127 49.913 39.320 37.930 1.00 0.00 C ATOM 1926 CE2 PHE A 127 52.062 38.247 38.320 1.00 0.00 C ATOM 1927 CZ PHE A 127 51.244 39.085 37.542 1.00 0.00 C ATOM 0 H PHE A 127 49.297 35.293 38.800 1.00 0.00 H new ATOM 0 HA PHE A 127 48.721 35.260 41.650 1.00 0.00 H new ATOM 0 HB2 PHE A 127 48.996 37.820 41.628 1.00 0.00 H new ATOM 0 HB3 PHE A 127 50.462 36.868 41.743 1.00 0.00 H new ATOM 0 HD1 PHE A 127 48.376 38.900 39.388 1.00 0.00 H new ATOM 0 HD2 PHE A 127 52.180 37.002 40.078 1.00 0.00 H new ATOM 0 HE1 PHE A 127 49.285 39.967 37.336 1.00 0.00 H new ATOM 0 HE2 PHE A 127 53.086 38.068 38.026 1.00 0.00 H new ATOM 0 HZ PHE A 127 51.637 39.547 36.648 1.00 0.00 H new ATOM 1937 N LYS A 128 46.479 36.283 41.228 1.00 0.00 N ATOM 1938 CA LYS A 128 45.086 36.707 41.009 1.00 0.00 C ATOM 1939 C LYS A 128 44.703 37.776 42.059 1.00 0.00 C ATOM 1940 O LYS A 128 45.039 37.596 43.235 1.00 0.00 O ATOM 1941 CB LYS A 128 44.152 35.475 41.027 1.00 0.00 C ATOM 1942 CG LYS A 128 44.592 34.390 40.018 1.00 0.00 C ATOM 1943 CD LYS A 128 43.659 33.171 39.956 1.00 0.00 C ATOM 1944 CE LYS A 128 44.313 32.053 39.119 1.00 0.00 C ATOM 1945 NZ LYS A 128 43.380 30.946 38.777 1.00 0.00 N ATOM 0 H LYS A 128 46.670 36.051 42.203 1.00 0.00 H new ATOM 0 HA LYS A 128 44.976 37.167 40.027 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.135 35.049 42.030 1.00 0.00 H new ATOM 0 HB3 LYS A 128 43.134 35.790 40.797 1.00 0.00 H new ATOM 0 HG2 LYS A 128 44.654 34.837 39.026 1.00 0.00 H new ATOM 0 HG3 LYS A 128 45.595 34.053 40.279 1.00 0.00 H new ATOM 0 HD2 LYS A 128 43.451 32.809 40.963 1.00 0.00 H new ATOM 0 HD3 LYS A 128 42.703 33.455 39.516 1.00 0.00 H new ATOM 0 HE2 LYS A 128 44.708 32.483 38.198 1.00 0.00 H new ATOM 0 HE3 LYS A 128 45.161 31.646 39.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 43.883 30.230 38.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 43.022 30.511 39.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 42.583 31.322 38.225 1.00 0.00 H new ATOM 1959 N PRO A 129 44.057 38.897 41.681 1.00 0.00 N ATOM 1960 CA PRO A 129 43.781 40.011 42.594 1.00 0.00 C ATOM 1961 C PRO A 129 42.566 39.762 43.498 1.00 0.00 C ATOM 1962 O PRO A 129 41.819 38.803 43.318 1.00 0.00 O ATOM 1963 CB PRO A 129 43.573 41.228 41.691 1.00 0.00 C ATOM 1964 CG PRO A 129 42.952 40.611 40.443 1.00 0.00 C ATOM 1965 CD PRO A 129 43.648 39.255 40.328 1.00 0.00 C ATOM 0 HA PRO A 129 44.607 40.152 43.291 1.00 0.00 H new ATOM 0 HB2 PRO A 129 42.914 41.966 42.150 1.00 0.00 H new ATOM 0 HB3 PRO A 129 44.513 41.734 41.469 1.00 0.00 H new ATOM 0 HG2 PRO A 129 41.872 40.500 40.545 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.127 41.228 39.561 1.00 0.00 H new ATOM 0 HD2 PRO A 129 42.975 38.505 39.913 1.00 0.00 H new ATOM 0 HD3 PRO A 129 44.509 39.314 39.663 1.00 0.00 H new ATOM 1973 N SER A 130 42.355 40.650 44.473 1.00 0.00 N ATOM 1974 CA SER A 130 41.250 40.563 45.435 1.00 0.00 C ATOM 1975 C SER A 130 39.941 41.116 44.882 1.00 0.00 C ATOM 1976 O SER A 130 38.871 40.571 45.156 1.00 0.00 O ATOM 1977 CB SER A 130 41.607 41.324 46.704 1.00 0.00 C ATOM 1978 OG SER A 130 41.566 40.494 47.842 1.00 0.00 O ATOM 0 H SER A 130 42.955 41.462 44.620 1.00 0.00 H new ATOM 0 HA SER A 130 41.102 39.504 45.647 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.604 41.752 46.602 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.915 42.156 46.836 1.00 0.00 H new ATOM 0 HG SER A 130 41.802 41.017 48.637 1.00 0.00 H new ATOM 1984 N LYS A 131 40.021 42.258 44.187 1.00 0.00 N ATOM 1985 CA LYS A 131 38.864 43.070 43.806 1.00 0.00 C ATOM 1986 C LYS A 131 38.299 42.721 42.405 1.00 0.00 C ATOM 1987 O LYS A 131 39.074 42.328 41.525 1.00 0.00 O ATOM 1988 CB LYS A 131 39.176 44.569 43.973 1.00 0.00 C ATOM 1989 CG LYS A 131 39.792 44.982 45.328 1.00 0.00 C ATOM 1990 CD LYS A 131 39.077 44.515 46.607 1.00 0.00 C ATOM 1991 CE LYS A 131 37.621 44.971 46.711 1.00 0.00 C ATOM 1992 NZ LYS A 131 37.090 44.699 48.069 1.00 0.00 N ATOM 0 H LYS A 131 40.908 42.648 43.869 1.00 0.00 H new ATOM 0 HA LYS A 131 38.056 42.821 44.494 1.00 0.00 H new ATOM 0 HB2 LYS A 131 39.859 44.869 43.179 1.00 0.00 H new ATOM 0 HB3 LYS A 131 38.253 45.131 43.829 1.00 0.00 H new ATOM 0 HG2 LYS A 131 40.815 44.608 45.360 1.00 0.00 H new ATOM 0 HG3 LYS A 131 39.849 46.070 45.353 1.00 0.00 H new ATOM 0 HD2 LYS A 131 39.110 43.426 46.652 1.00 0.00 H new ATOM 0 HD3 LYS A 131 39.625 44.886 47.473 1.00 0.00 H new ATOM 0 HE2 LYS A 131 37.550 46.037 46.493 1.00 0.00 H new ATOM 0 HE3 LYS A 131 37.017 44.452 45.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 36.100 45.014 48.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 37.140 43.679 48.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 37.657 45.214 48.773 1.00 0.00 H new