USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=27 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 62 SER OG : rot -57:sc= 0.00336 USER MOD Set 1.2: A 119 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0.766 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0.925 USER MOD Set 2.3: A 53 LYS NZ :NH3+ -163:sc= 1.96 (180deg=0) USER MOD Set 3.1: A 40 CYS SG : rot 150:sc= -5.57! USER MOD Set 3.2: A 43 CYS SG : rot -35:sc= -5.3! USER MOD Set 3.3: A 45 SER OG : rot 180:sc= 0.325 USER MOD Set 3.4: A 96 CYS SG : rot -154:sc= -3.26! USER MOD Set 3.5: A 98 GLN : amide:sc= 0.904 K(o=-16,f=-19) USER MOD Set 3.6: A 99 CYS SG : rot -39:sc= -2.71! USER MOD Single : A 35 THR OG1 : rot 26:sc= 0.112 USER MOD Single : A 37 MET CE :methyl 170:sc= 0 (180deg=-0.136) USER MOD Single : A 39 HIS : no HE2:sc= -0.241 K(o=-0.24,f=-1) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0.871 (180deg=0.86) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 85 THR OG1 : rot -41:sc= 0.491 USER MOD Single : A 86 SER OG : rot -35:sc= 0.227 USER MOD Single : A 89 CYS SG : rot 180:sc= 1.03 USER MOD Single : A 92 MET CE :methyl -179:sc= 0 (180deg=-0.000167) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= -0.0164 K(o=-0.016,f=-1.1) USER MOD Single : A 105 HIS : no HE2:sc= 0.215 K(o=0.21,f=-2.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 116 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.6!) USER MOD Single : A 121 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.2!) 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 45.814 44.084 47.502 1.00 0.00 N ATOM 559 CA THR A 35 45.535 42.824 48.189 1.00 0.00 C ATOM 560 C THR A 35 45.209 41.776 47.127 1.00 0.00 C ATOM 561 O THR A 35 44.955 42.093 45.972 1.00 0.00 O ATOM 562 CB THR A 35 44.354 42.991 49.169 1.00 0.00 C ATOM 563 OG1 THR A 35 44.667 43.992 50.105 1.00 0.00 O ATOM 564 CG2 THR A 35 44.002 41.744 49.981 1.00 0.00 C ATOM 0 HA THR A 35 46.401 42.512 48.772 1.00 0.00 H new ATOM 0 HB THR A 35 43.500 43.230 48.535 1.00 0.00 H new ATOM 0 HG1 THR A 35 45.312 44.617 49.713 1.00 0.00 H new ATOM 0 HG21 THR A 35 43.161 41.963 50.639 1.00 0.00 H new ATOM 0 HG22 THR A 35 43.732 40.933 49.304 1.00 0.00 H new ATOM 0 HG23 THR A 35 44.862 41.445 50.580 1.00 0.00 H new ATOM 572 N GLY A 36 45.227 40.506 47.497 1.00 0.00 N ATOM 573 CA GLY A 36 45.071 39.409 46.542 1.00 0.00 C ATOM 574 C GLY A 36 45.876 38.193 46.964 1.00 0.00 C ATOM 575 O GLY A 36 46.042 37.937 48.159 1.00 0.00 O ATOM 0 H GLY A 36 45.349 40.202 48.463 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.018 39.141 46.462 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.393 39.736 45.553 1.00 0.00 H new ATOM 579 N MET A 37 46.465 37.490 46.000 1.00 0.00 N ATOM 580 CA MET A 37 47.317 36.326 46.252 1.00 0.00 C ATOM 581 C MET A 37 48.326 36.044 45.130 1.00 0.00 C ATOM 582 O MET A 37 48.145 36.406 43.970 1.00 0.00 O ATOM 583 CB MET A 37 46.447 35.090 46.544 1.00 0.00 C ATOM 584 CG MET A 37 45.577 34.738 45.337 1.00 0.00 C ATOM 585 SD MET A 37 44.396 33.379 45.556 1.00 0.00 S ATOM 586 CE MET A 37 43.272 34.095 46.789 1.00 0.00 C ATOM 0 H MET A 37 46.364 37.713 45.010 1.00 0.00 H new ATOM 0 HA MET A 37 47.919 36.562 47.129 1.00 0.00 H new ATOM 0 HB2 MET A 37 47.085 34.243 46.797 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.814 35.282 47.410 1.00 0.00 H new ATOM 0 HG2 MET A 37 45.021 35.629 45.046 1.00 0.00 H new ATOM 0 HG3 MET A 37 46.235 34.487 44.505 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.396 33.456 46.897 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.785 34.172 47.748 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.960 35.087 46.464 1.00 0.00 H new ATOM 596 N TYR A 38 49.377 35.342 45.526 1.00 0.00 N ATOM 597 CA TYR A 38 50.445 34.774 44.705 1.00 0.00 C ATOM 598 C TYR A 38 50.322 33.243 44.774 1.00 0.00 C ATOM 599 O TYR A 38 50.134 32.662 45.851 1.00 0.00 O ATOM 600 CB TYR A 38 51.821 35.301 45.160 1.00 0.00 C ATOM 601 CG TYR A 38 52.065 36.778 44.866 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.362 37.767 45.582 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.967 37.172 43.854 1.00 0.00 C ATOM 604 CE1 TYR A 38 51.499 39.125 45.241 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.108 38.534 43.510 1.00 0.00 C ATOM 606 CZ TYR A 38 52.359 39.516 44.192 1.00 0.00 C ATOM 607 OH TYR A 38 52.449 40.834 43.852 1.00 0.00 O ATOM 0 H TYR A 38 49.520 35.135 46.515 1.00 0.00 H new ATOM 0 HA TYR A 38 50.351 35.081 43.663 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.922 35.136 46.233 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.599 34.714 44.673 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.714 37.481 46.397 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.554 36.426 43.339 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.942 39.873 45.785 1.00 0.00 H new ATOM 0 HE2 TYR A 38 53.790 38.824 42.724 1.00 0.00 H new ATOM 0 HH TYR A 38 53.084 40.939 43.113 1.00 0.00 H new ATOM 617 N HIS A 39 50.331 32.606 43.606 1.00 0.00 N ATOM 618 CA HIS A 39 49.855 31.242 43.399 1.00 0.00 C ATOM 619 C HIS A 39 50.575 30.542 42.240 1.00 0.00 C ATOM 620 O HIS A 39 51.279 31.176 41.454 1.00 0.00 O ATOM 621 CB HIS A 39 48.340 31.285 43.146 1.00 0.00 C ATOM 622 CG HIS A 39 47.901 31.983 41.886 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.685 31.393 40.663 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.526 33.294 41.776 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.167 32.322 39.845 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.072 33.508 40.472 1.00 0.00 N ATOM 0 H HIS A 39 50.681 33.039 42.751 1.00 0.00 H new ATOM 0 HA HIS A 39 50.074 30.660 44.294 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.967 30.261 43.119 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.864 31.776 43.995 1.00 0.00 H new ATOM 0 HD1 HIS A 39 47.883 30.422 40.421 1.00 0.00 H new ATOM 0 HD2 HIS A 39 47.573 34.035 42.561 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.867 32.142 38.823 1.00 0.00 H new ATOM 634 N CYS A 40 50.391 29.233 42.120 1.00 0.00 N ATOM 635 CA CYS A 40 51.026 28.441 41.093 1.00 0.00 C ATOM 636 C CYS A 40 50.416 28.616 39.684 1.00 0.00 C ATOM 637 O CYS A 40 49.345 29.196 39.468 1.00 0.00 O ATOM 638 CB CYS A 40 50.941 26.992 41.581 1.00 0.00 C ATOM 639 SG CYS A 40 52.520 26.110 41.372 1.00 0.00 S ATOM 0 H CYS A 40 49.790 28.693 42.742 1.00 0.00 H new ATOM 0 HA CYS A 40 52.056 28.770 40.956 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.655 26.980 42.633 1.00 0.00 H new ATOM 0 HB3 CYS A 40 50.158 26.469 41.031 1.00 0.00 H new ATOM 0 HG CYS A 40 52.632 25.198 42.291 1.00 0.00 H new ATOM 644 N VAL A 41 51.134 28.001 38.749 1.00 0.00 N ATOM 645 CA VAL A 41 50.669 27.556 37.422 1.00 0.00 C ATOM 646 C VAL A 41 51.078 26.101 37.113 1.00 0.00 C ATOM 647 O VAL A 41 50.775 25.589 36.034 1.00 0.00 O ATOM 648 CB VAL A 41 51.144 28.562 36.357 1.00 0.00 C ATOM 649 CG1 VAL A 41 52.646 28.474 36.055 1.00 0.00 C ATOM 650 CG2 VAL A 41 50.350 28.507 35.048 1.00 0.00 C ATOM 0 H VAL A 41 52.119 27.782 38.899 1.00 0.00 H new ATOM 0 HA VAL A 41 49.579 27.542 37.412 1.00 0.00 H new ATOM 0 HB VAL A 41 50.947 29.528 36.822 1.00 0.00 H new ATOM 0 HG11 VAL A 41 52.908 29.211 35.296 1.00 0.00 H new ATOM 0 HG12 VAL A 41 53.212 28.672 36.965 1.00 0.00 H new ATOM 0 HG13 VAL A 41 52.886 27.476 35.689 1.00 0.00 H new ATOM 0 HG21 VAL A 41 50.746 29.245 34.351 1.00 0.00 H new ATOM 0 HG22 VAL A 41 50.437 27.512 34.611 1.00 0.00 H new ATOM 0 HG23 VAL A 41 49.301 28.724 35.249 1.00 0.00 H new ATOM 660 N CYS A 42 51.773 25.441 38.052 1.00 0.00 N ATOM 661 CA CYS A 42 52.443 24.158 37.863 1.00 0.00 C ATOM 662 C CYS A 42 51.788 23.032 38.676 1.00 0.00 C ATOM 663 O CYS A 42 51.506 21.975 38.107 1.00 0.00 O ATOM 664 CB CYS A 42 53.917 24.332 38.253 1.00 0.00 C ATOM 665 SG CYS A 42 54.772 25.477 37.125 1.00 0.00 S ATOM 0 H CYS A 42 51.884 25.806 38.998 1.00 0.00 H new ATOM 0 HA CYS A 42 52.357 23.861 36.818 1.00 0.00 H new ATOM 0 HB2 CYS A 42 53.983 24.708 39.274 1.00 0.00 H new ATOM 0 HB3 CYS A 42 54.416 23.363 38.237 1.00 0.00 H new ATOM 0 HG CYS A 42 56.014 25.599 37.490 1.00 0.00 H new ATOM 671 N CYS A 43 51.533 23.257 39.969 1.00 0.00 N ATOM 672 CA CYS A 43 50.890 22.312 40.861 1.00 0.00 C ATOM 673 C CYS A 43 49.350 22.426 40.812 1.00 0.00 C ATOM 674 O CYS A 43 48.702 21.612 40.151 1.00 0.00 O ATOM 675 CB CYS A 43 51.525 22.477 42.250 1.00 0.00 C ATOM 676 SG CYS A 43 51.605 24.189 42.834 1.00 0.00 S ATOM 0 H CYS A 43 51.780 24.133 40.429 1.00 0.00 H new ATOM 0 HA CYS A 43 51.063 21.284 40.543 1.00 0.00 H new ATOM 0 HB2 CYS A 43 50.957 21.886 42.969 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.534 22.066 42.226 1.00 0.00 H new ATOM 0 HG CYS A 43 51.819 24.982 41.826 1.00 0.00 H new ATOM 681 N ASP A 44 48.784 23.407 41.525 1.00 0.00 N ATOM 682 CA ASP A 44 47.398 23.896 41.357 1.00 0.00 C ATOM 683 C ASP A 44 47.037 25.117 42.227 1.00 0.00 C ATOM 684 O ASP A 44 46.172 25.902 41.833 1.00 0.00 O ATOM 685 CB ASP A 44 46.368 22.780 41.678 1.00 0.00 C ATOM 686 CG ASP A 44 45.559 22.274 40.470 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.779 22.700 39.311 1.00 0.00 O ATOM 688 OD2 ASP A 44 44.665 21.412 40.644 1.00 0.00 O ATOM 0 H ASP A 44 49.289 23.902 42.260 1.00 0.00 H new ATOM 0 HA ASP A 44 47.352 24.201 40.311 1.00 0.00 H new ATOM 0 HB2 ASP A 44 46.896 21.936 42.122 1.00 0.00 H new ATOM 0 HB3 ASP A 44 45.673 23.153 42.431 1.00 0.00 H new ATOM 693 N SER A 45 47.594 25.237 43.436 1.00 0.00 N ATOM 694 CA SER A 45 47.035 26.056 44.519 1.00 0.00 C ATOM 695 C SER A 45 47.696 27.433 44.765 1.00 0.00 C ATOM 696 O SER A 45 48.852 27.672 44.406 1.00 0.00 O ATOM 697 CB SER A 45 47.020 25.223 45.808 1.00 0.00 C ATOM 698 OG SER A 45 48.262 24.610 46.092 1.00 0.00 O ATOM 0 H SER A 45 48.458 24.761 43.695 1.00 0.00 H new ATOM 0 HA SER A 45 46.030 26.321 44.190 1.00 0.00 H new ATOM 0 HB2 SER A 45 46.740 25.864 46.644 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.253 24.453 45.726 1.00 0.00 H new ATOM 0 HG SER A 45 48.191 24.096 46.923 1.00 0.00 H new ATOM 704 N PRO A 46 46.977 28.371 45.421 1.00 0.00 N ATOM 705 CA PRO A 46 47.558 29.565 46.034 1.00 0.00 C ATOM 706 C PRO A 46 48.325 29.249 47.322 1.00 0.00 C ATOM 707 O PRO A 46 48.037 28.260 47.995 1.00 0.00 O ATOM 708 CB PRO A 46 46.379 30.512 46.272 1.00 0.00 C ATOM 709 CG PRO A 46 45.204 29.564 46.502 1.00 0.00 C ATOM 710 CD PRO A 46 45.532 28.377 45.599 1.00 0.00 C ATOM 0 HA PRO A 46 48.307 30.019 45.386 1.00 0.00 H new ATOM 0 HB2 PRO A 46 46.549 31.157 47.134 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.208 31.164 45.415 1.00 0.00 H new ATOM 0 HG2 PRO A 46 45.126 29.265 47.547 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.255 30.026 46.231 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.194 27.444 46.049 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.025 28.470 44.639 1.00 0.00 H new ATOM 718 N LEU A 47 49.283 30.112 47.682 1.00 0.00 N ATOM 719 CA LEU A 47 50.202 29.847 48.803 1.00 0.00 C ATOM 720 C LEU A 47 50.544 31.084 49.659 1.00 0.00 C ATOM 721 O LEU A 47 50.727 30.960 50.866 1.00 0.00 O ATOM 722 CB LEU A 47 51.466 29.173 48.222 1.00 0.00 C ATOM 723 CG LEU A 47 51.848 27.855 48.904 1.00 0.00 C ATOM 724 CD1 LEU A 47 53.010 27.208 48.150 1.00 0.00 C ATOM 725 CD2 LEU A 47 52.261 28.037 50.366 1.00 0.00 C ATOM 0 H LEU A 47 49.445 31.003 47.213 1.00 0.00 H new ATOM 0 HA LEU A 47 49.698 29.186 49.508 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.308 28.986 47.160 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.303 29.866 48.303 1.00 0.00 H new ATOM 0 HG LEU A 47 50.960 27.223 48.884 1.00 0.00 H new ATOM 0 HD11 LEU A 47 53.282 26.271 48.635 1.00 0.00 H new ATOM 0 HD12 LEU A 47 52.711 27.010 47.121 1.00 0.00 H new ATOM 0 HD13 LEU A 47 53.867 27.881 48.156 1.00 0.00 H new ATOM 0 HD21 LEU A 47 52.520 27.069 50.794 1.00 0.00 H new ATOM 0 HD22 LEU A 47 53.124 28.700 50.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 51.433 28.472 50.926 1.00 0.00 H new ATOM 737 N PHE A 48 50.576 32.289 49.080 1.00 0.00 N ATOM 738 CA PHE A 48 50.910 33.528 49.807 1.00 0.00 C ATOM 739 C PHE A 48 49.861 34.596 49.468 1.00 0.00 C ATOM 740 O PHE A 48 49.682 34.915 48.290 1.00 0.00 O ATOM 741 CB PHE A 48 52.331 33.985 49.421 1.00 0.00 C ATOM 742 CG PHE A 48 53.368 32.872 49.413 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.882 32.372 50.623 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.760 32.284 48.192 1.00 0.00 C ATOM 745 CE1 PHE A 48 54.771 31.281 50.615 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.649 31.194 48.186 1.00 0.00 C ATOM 747 CZ PHE A 48 55.151 30.690 49.399 1.00 0.00 C ATOM 0 H PHE A 48 50.371 32.438 48.092 1.00 0.00 H new ATOM 0 HA PHE A 48 50.897 33.358 50.884 1.00 0.00 H new ATOM 0 HB2 PHE A 48 52.297 34.440 48.431 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.652 34.760 50.117 1.00 0.00 H new ATOM 0 HD1 PHE A 48 53.594 32.826 51.560 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.377 32.672 47.260 1.00 0.00 H new ATOM 0 HE1 PHE A 48 55.162 30.897 51.546 1.00 0.00 H new ATOM 0 HE2 PHE A 48 54.946 30.744 47.250 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.828 29.849 49.396 1.00 0.00 H new ATOM 757 N SER A 49 49.144 35.171 50.442 1.00 0.00 N ATOM 758 CA SER A 49 48.199 36.242 50.149 1.00 0.00 C ATOM 759 C SER A 49 48.951 37.568 50.067 1.00 0.00 C ATOM 760 O SER A 49 49.797 37.884 50.904 1.00 0.00 O ATOM 761 CB SER A 49 47.000 36.274 51.102 1.00 0.00 C ATOM 762 OG SER A 49 47.386 36.234 52.459 1.00 0.00 O ATOM 0 H SER A 49 49.203 34.912 51.427 1.00 0.00 H new ATOM 0 HA SER A 49 47.747 36.046 49.177 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.419 37.178 50.919 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.348 35.427 50.888 1.00 0.00 H new ATOM 0 HG SER A 49 46.588 36.258 53.027 1.00 0.00 H new ATOM 768 N SER A 50 48.616 38.374 49.062 1.00 0.00 N ATOM 769 CA SER A 50 49.184 39.721 48.844 1.00 0.00 C ATOM 770 C SER A 50 48.958 40.652 50.023 1.00 0.00 C ATOM 771 O SER A 50 49.630 41.658 50.194 1.00 0.00 O ATOM 772 CB SER A 50 48.533 40.375 47.633 1.00 0.00 C ATOM 773 OG SER A 50 49.322 41.397 47.051 1.00 0.00 O ATOM 0 H SER A 50 47.928 38.112 48.356 1.00 0.00 H new ATOM 0 HA SER A 50 50.255 39.575 48.701 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.331 39.611 46.882 1.00 0.00 H new ATOM 0 HB3 SER A 50 47.571 40.794 47.929 1.00 0.00 H new ATOM 0 HG SER A 50 48.851 41.775 46.279 1.00 0.00 H new ATOM 779 N GLU A 51 48.001 40.299 50.863 1.00 0.00 N ATOM 780 CA GLU A 51 47.694 40.976 52.085 1.00 0.00 C ATOM 781 C GLU A 51 48.848 40.997 53.085 1.00 0.00 C ATOM 782 O GLU A 51 49.149 42.023 53.690 1.00 0.00 O ATOM 783 CB GLU A 51 46.505 40.221 52.674 1.00 0.00 C ATOM 784 CG GLU A 51 45.615 41.269 53.272 1.00 0.00 C ATOM 785 CD GLU A 51 44.510 40.726 54.179 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.803 39.857 55.037 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.353 41.183 54.019 1.00 0.00 O ATOM 0 H GLU A 51 47.397 39.495 50.693 1.00 0.00 H new ATOM 0 HA GLU A 51 47.483 42.026 51.880 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.981 39.655 51.904 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.831 39.506 53.430 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.229 41.964 53.846 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.156 41.840 52.465 1.00 0.00 H new ATOM 794 N LYS A 52 49.532 39.857 53.207 1.00 0.00 N ATOM 795 CA LYS A 52 50.741 39.714 54.025 1.00 0.00 C ATOM 796 C LYS A 52 51.970 40.366 53.383 1.00 0.00 C ATOM 797 O LYS A 52 53.043 40.361 53.982 1.00 0.00 O ATOM 798 CB LYS A 52 51.014 38.228 54.325 1.00 0.00 C ATOM 799 CG LYS A 52 49.812 37.392 54.794 1.00 0.00 C ATOM 800 CD LYS A 52 49.059 37.971 56.002 1.00 0.00 C ATOM 801 CE LYS A 52 47.691 38.526 55.600 1.00 0.00 C ATOM 802 NZ LYS A 52 46.785 38.750 56.745 1.00 0.00 N ATOM 0 H LYS A 52 49.259 38.995 52.735 1.00 0.00 H new ATOM 0 HA LYS A 52 50.556 40.242 54.960 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.420 37.767 53.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.789 38.171 55.090 1.00 0.00 H new ATOM 0 HG2 LYS A 52 49.113 37.287 53.964 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.160 36.390 55.046 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.930 37.195 56.757 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.654 38.763 56.457 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.832 39.467 55.069 1.00 0.00 H new ATOM 0 HE3 LYS A 52 47.218 37.834 54.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 45.904 39.189 56.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.568 37.840 57.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.245 39.379 57.434 1.00 0.00 H new ATOM 816 N LYS A 53 51.845 40.897 52.161 1.00 0.00 N ATOM 817 CA LYS A 53 52.958 41.453 51.382 1.00 0.00 C ATOM 818 C LYS A 53 53.359 42.806 51.961 1.00 0.00 C ATOM 819 O LYS A 53 52.511 43.631 52.296 1.00 0.00 O ATOM 820 CB LYS A 53 52.578 41.514 49.906 1.00 0.00 C ATOM 821 CG LYS A 53 53.766 41.510 48.934 1.00 0.00 C ATOM 822 CD LYS A 53 53.247 41.431 47.489 1.00 0.00 C ATOM 823 CE LYS A 53 52.597 42.762 47.098 1.00 0.00 C ATOM 824 NZ LYS A 53 51.649 42.657 45.972 1.00 0.00 N ATOM 0 H LYS A 53 50.949 40.953 51.676 1.00 0.00 H new ATOM 0 HA LYS A 53 53.834 40.808 51.450 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.935 40.664 49.675 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.989 42.415 49.734 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.362 42.412 49.068 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.418 40.662 49.144 1.00 0.00 H new ATOM 0 HD2 LYS A 53 54.069 41.203 46.810 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.523 40.621 47.396 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.074 43.168 47.964 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.380 43.474 46.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 51.472 43.603 45.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 52.053 42.045 45.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 50.754 42.249 46.309 1.00 0.00 H new ATOM 838 N TYR A 54 54.658 43.014 52.103 1.00 0.00 N ATOM 839 CA TYR A 54 55.205 44.079 52.945 1.00 0.00 C ATOM 840 C TYR A 54 54.919 45.477 52.364 1.00 0.00 C ATOM 841 O TYR A 54 55.345 45.784 51.246 1.00 0.00 O ATOM 842 CB TYR A 54 56.687 43.821 53.228 1.00 0.00 C ATOM 843 CG TYR A 54 57.120 44.344 54.582 1.00 0.00 C ATOM 844 CD1 TYR A 54 57.245 45.730 54.790 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.320 43.452 55.654 1.00 0.00 C ATOM 846 CE1 TYR A 54 57.500 46.229 56.081 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.606 43.948 56.942 1.00 0.00 C ATOM 848 CZ TYR A 54 57.661 45.341 57.166 1.00 0.00 C ATOM 849 OH TYR A 54 57.825 45.837 58.423 1.00 0.00 O ATOM 0 H TYR A 54 55.370 42.450 51.638 1.00 0.00 H new ATOM 0 HA TYR A 54 54.693 44.065 53.907 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.882 42.750 53.177 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.289 44.292 52.451 1.00 0.00 H new ATOM 0 HD1 TYR A 54 57.145 46.412 53.958 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.254 42.387 55.489 1.00 0.00 H new ATOM 0 HE1 TYR A 54 57.573 47.294 56.242 1.00 0.00 H new ATOM 0 HE2 TYR A 54 57.783 43.263 57.758 1.00 0.00 H new ATOM 0 HH TYR A 54 57.921 45.096 59.057 1.00 0.00 H new ATOM 933 N PRO A 61 60.011 41.741 46.560 1.00 0.00 N ATOM 934 CA PRO A 61 58.987 40.856 47.112 1.00 0.00 C ATOM 935 C PRO A 61 59.336 40.270 48.492 1.00 0.00 C ATOM 936 O PRO A 61 60.160 39.367 48.645 1.00 0.00 O ATOM 937 CB PRO A 61 58.839 39.777 46.058 1.00 0.00 C ATOM 938 CG PRO A 61 60.288 39.573 45.603 1.00 0.00 C ATOM 939 CD PRO A 61 60.930 40.955 45.745 1.00 0.00 C ATOM 0 HA PRO A 61 58.063 41.399 47.309 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.408 38.863 46.467 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.195 40.094 45.238 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.798 38.833 46.220 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.335 39.217 44.574 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.909 40.884 46.219 1.00 0.00 H new ATOM 0 HD3 PRO A 61 61.081 41.418 44.770 1.00 0.00 H new ATOM 947 N SER A 62 58.616 40.756 49.494 1.00 0.00 N ATOM 948 CA SER A 62 58.649 40.294 50.879 1.00 0.00 C ATOM 949 C SER A 62 57.236 40.237 51.446 1.00 0.00 C ATOM 950 O SER A 62 56.360 40.995 51.024 1.00 0.00 O ATOM 951 CB SER A 62 59.515 41.213 51.719 1.00 0.00 C ATOM 952 OG SER A 62 60.866 40.822 51.633 1.00 0.00 O ATOM 0 H SER A 62 57.958 41.523 49.358 1.00 0.00 H new ATOM 0 HA SER A 62 59.078 39.292 50.904 1.00 0.00 H new ATOM 0 HB2 SER A 62 59.404 42.242 51.377 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.186 41.185 52.758 1.00 0.00 H new ATOM 0 HG SER A 62 60.956 39.890 51.921 1.00 0.00 H new ATOM 958 N PHE A 63 57.018 39.360 52.421 1.00 0.00 N ATOM 959 CA PHE A 63 55.755 39.139 53.100 1.00 0.00 C ATOM 960 C PHE A 63 56.096 38.903 54.572 1.00 0.00 C ATOM 961 O PHE A 63 57.000 38.139 54.889 1.00 0.00 O ATOM 962 CB PHE A 63 54.960 37.949 52.517 1.00 0.00 C ATOM 963 CG PHE A 63 54.588 37.963 51.039 1.00 0.00 C ATOM 964 CD1 PHE A 63 55.578 37.820 50.046 1.00 0.00 C ATOM 965 CD2 PHE A 63 53.233 37.993 50.649 1.00 0.00 C ATOM 966 CE1 PHE A 63 55.225 37.754 48.686 1.00 0.00 C ATOM 967 CE2 PHE A 63 52.877 37.905 49.291 1.00 0.00 C ATOM 968 CZ PHE A 63 53.874 37.795 48.307 1.00 0.00 C ATOM 0 H PHE A 63 57.759 38.755 52.774 1.00 0.00 H new ATOM 0 HA PHE A 63 55.106 40.005 52.969 1.00 0.00 H new ATOM 0 HB2 PHE A 63 55.539 37.044 52.702 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.036 37.859 53.088 1.00 0.00 H new ATOM 0 HD1 PHE A 63 56.618 37.761 50.332 1.00 0.00 H new ATOM 0 HD2 PHE A 63 52.462 38.084 51.400 1.00 0.00 H new ATOM 0 HE1 PHE A 63 55.994 37.672 47.932 1.00 0.00 H new ATOM 0 HE2 PHE A 63 51.836 37.922 49.004 1.00 0.00 H new ATOM 0 HZ PHE A 63 53.602 37.742 47.263 1.00 0.00 H new ATOM 978 N SER A 64 55.417 39.596 55.469 1.00 0.00 N ATOM 979 CA SER A 64 55.584 39.442 56.926 1.00 0.00 C ATOM 980 C SER A 64 54.864 38.219 57.511 1.00 0.00 C ATOM 981 O SER A 64 55.173 37.812 58.627 1.00 0.00 O ATOM 982 CB SER A 64 55.189 40.725 57.654 1.00 0.00 C ATOM 983 OG SER A 64 53.917 41.177 57.230 1.00 0.00 O ATOM 0 H SER A 64 54.720 40.296 55.214 1.00 0.00 H new ATOM 0 HA SER A 64 56.645 39.255 57.090 1.00 0.00 H new ATOM 0 HB2 SER A 64 55.176 40.548 58.729 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.935 41.498 57.467 1.00 0.00 H new ATOM 0 HG SER A 64 53.685 41.999 57.711 1.00 0.00 H new ATOM 989 N GLU A 65 53.975 37.585 56.741 1.00 0.00 N ATOM 990 CA GLU A 65 53.513 36.210 56.964 1.00 0.00 C ATOM 991 C GLU A 65 53.476 35.399 55.672 1.00 0.00 C ATOM 992 O GLU A 65 53.250 35.905 54.574 1.00 0.00 O ATOM 993 CB GLU A 65 52.166 36.122 57.678 1.00 0.00 C ATOM 994 CG GLU A 65 52.174 36.621 59.134 1.00 0.00 C ATOM 995 CD GLU A 65 50.960 36.139 59.945 1.00 0.00 C ATOM 996 OE1 GLU A 65 50.172 35.296 59.449 1.00 0.00 O ATOM 997 OE2 GLU A 65 50.827 36.536 61.125 1.00 0.00 O ATOM 0 H GLU A 65 53.546 38.023 55.926 1.00 0.00 H new ATOM 0 HA GLU A 65 54.256 35.773 57.631 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.433 36.700 57.115 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.831 35.085 57.666 1.00 0.00 H new ATOM 0 HG2 GLU A 65 53.087 36.282 59.623 1.00 0.00 H new ATOM 0 HG3 GLU A 65 52.196 37.711 59.138 1.00 0.00 H new ATOM 1004 N ALA A 66 53.674 34.102 55.854 1.00 0.00 N ATOM 1005 CA ALA A 66 53.682 33.078 54.828 1.00 0.00 C ATOM 1006 C ALA A 66 52.876 31.890 55.360 1.00 0.00 C ATOM 1007 O ALA A 66 53.330 31.142 56.228 1.00 0.00 O ATOM 1008 CB ALA A 66 55.137 32.718 54.511 1.00 0.00 C ATOM 0 H ALA A 66 53.844 33.715 56.782 1.00 0.00 H new ATOM 0 HA ALA A 66 53.224 33.412 53.897 1.00 0.00 H new ATOM 0 HB1 ALA A 66 55.162 31.948 53.740 1.00 0.00 H new ATOM 0 HB2 ALA A 66 55.662 33.605 54.155 1.00 0.00 H new ATOM 0 HB3 ALA A 66 55.624 32.345 55.412 1.00 0.00 H new ATOM 1162 N GLY A 78 50.903 21.750 50.600 1.00 0.00 N ATOM 1163 CA GLY A 78 51.795 20.602 50.458 1.00 0.00 C ATOM 1164 C GLY A 78 53.170 20.782 51.118 1.00 0.00 C ATOM 1165 O GLY A 78 53.859 19.788 51.340 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.311 19.726 50.889 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.939 20.398 49.397 1.00 0.00 H new ATOM 1169 N ILE A 79 53.572 22.023 51.435 1.00 0.00 N ATOM 1170 CA ILE A 79 54.978 22.469 51.369 1.00 0.00 C ATOM 1171 C ILE A 79 55.961 21.689 52.248 1.00 0.00 C ATOM 1172 O ILE A 79 55.620 21.039 53.237 1.00 0.00 O ATOM 1173 CB ILE A 79 55.146 23.979 51.663 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.751 24.321 53.111 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.437 24.832 50.605 1.00 0.00 C ATOM 1176 CD1 ILE A 79 54.996 25.790 53.462 1.00 0.00 C ATOM 0 H ILE A 79 52.929 22.751 51.746 1.00 0.00 H new ATOM 0 HA ILE A 79 55.237 22.258 50.332 1.00 0.00 H new ATOM 0 HB ILE A 79 56.204 24.231 51.586 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.697 24.088 53.260 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.317 23.689 53.796 1.00 0.00 H new ATOM 0 HG21 ILE A 79 54.573 25.888 50.838 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.860 24.620 49.623 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.373 24.595 50.600 1.00 0.00 H new ATOM 0 HD11 ILE A 79 54.699 25.972 54.495 1.00 0.00 H new ATOM 0 HD12 ILE A 79 56.055 26.021 53.343 1.00 0.00 H new ATOM 0 HD13 ILE A 79 54.409 26.425 52.799 1.00 0.00 H new ATOM 1188 N LEU A 80 57.232 21.858 51.910 1.00 0.00 N ATOM 1189 CA LEU A 80 58.378 21.389 52.673 1.00 0.00 C ATOM 1190 C LEU A 80 59.253 22.586 53.028 1.00 0.00 C ATOM 1191 O LEU A 80 59.150 23.656 52.437 1.00 0.00 O ATOM 1192 CB LEU A 80 59.070 20.256 51.913 1.00 0.00 C ATOM 1193 CG LEU A 80 60.280 19.617 52.609 1.00 0.00 C ATOM 1194 CD1 LEU A 80 60.323 18.108 52.375 1.00 0.00 C ATOM 1195 CD2 LEU A 80 61.612 20.197 52.126 1.00 0.00 C ATOM 0 H LEU A 80 57.503 22.348 51.058 1.00 0.00 H new ATOM 0 HA LEU A 80 58.090 20.946 53.626 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.335 19.475 51.717 1.00 0.00 H new ATOM 0 HB3 LEU A 80 59.394 20.639 50.945 1.00 0.00 H new ATOM 0 HG LEU A 80 60.154 19.839 53.669 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.191 17.686 52.881 1.00 0.00 H new ATOM 0 HD12 LEU A 80 59.415 17.652 52.771 1.00 0.00 H new ATOM 0 HD13 LEU A 80 60.393 17.907 51.306 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.433 19.709 52.651 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.715 20.028 51.054 1.00 0.00 H new ATOM 0 HD23 LEU A 80 61.637 21.268 52.328 1.00 0.00 H new ATOM 1207 N ARG A 81 60.070 22.426 54.058 1.00 0.00 N ATOM 1208 CA ARG A 81 60.993 23.433 54.549 1.00 0.00 C ATOM 1209 C ARG A 81 62.132 22.812 55.341 1.00 0.00 C ATOM 1210 O ARG A 81 61.955 21.744 55.928 1.00 0.00 O ATOM 1211 CB ARG A 81 60.233 24.486 55.356 1.00 0.00 C ATOM 1212 CG ARG A 81 59.602 24.110 56.689 1.00 0.00 C ATOM 1213 CD ARG A 81 58.566 22.988 56.631 1.00 0.00 C ATOM 1214 NE ARG A 81 57.752 22.980 57.854 1.00 0.00 N ATOM 1215 CZ ARG A 81 58.065 22.467 59.027 1.00 0.00 C ATOM 1216 NH1 ARG A 81 59.142 21.753 59.211 1.00 0.00 N ATOM 1217 NH2 ARG A 81 57.289 22.676 60.045 1.00 0.00 N ATOM 0 H ARG A 81 60.108 21.559 54.593 1.00 0.00 H new ATOM 0 HA ARG A 81 61.454 23.930 53.695 1.00 0.00 H new ATOM 0 HB2 ARG A 81 60.921 25.310 55.543 1.00 0.00 H new ATOM 0 HB3 ARG A 81 59.438 24.873 54.718 1.00 0.00 H new ATOM 0 HG2 ARG A 81 60.395 23.814 57.376 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.129 24.997 57.111 1.00 0.00 H new ATOM 0 HD2 ARG A 81 57.924 23.121 55.760 1.00 0.00 H new ATOM 0 HD3 ARG A 81 59.067 22.027 56.514 1.00 0.00 H new ATOM 0 HE ARG A 81 56.836 23.424 57.787 1.00 0.00 H new ATOM 0 HH11 ARG A 81 59.775 21.575 58.432 1.00 0.00 H new ATOM 0 HH12 ARG A 81 59.350 21.373 60.134 1.00 0.00 H new ATOM 0 HH21 ARG A 81 56.443 23.234 59.935 1.00 0.00 H new ATOM 0 HH22 ARG A 81 57.525 22.282 60.956 1.00 0.00 H new ATOM 1231 N ARG A 82 63.266 23.506 55.358 1.00 0.00 N ATOM 1232 CA ARG A 82 64.501 23.129 56.030 1.00 0.00 C ATOM 1233 C ARG A 82 65.285 24.393 56.371 1.00 0.00 C ATOM 1234 O ARG A 82 65.452 25.302 55.564 1.00 0.00 O ATOM 1235 CB ARG A 82 65.335 22.170 55.166 1.00 0.00 C ATOM 1236 CG ARG A 82 66.366 21.441 56.043 1.00 0.00 C ATOM 1237 CD ARG A 82 65.807 20.183 56.717 1.00 0.00 C ATOM 1238 NE ARG A 82 66.099 18.991 55.911 1.00 0.00 N ATOM 1239 CZ ARG A 82 65.283 18.052 55.488 1.00 0.00 C ATOM 1240 NH1 ARG A 82 64.033 17.985 55.838 1.00 0.00 N ATOM 1241 NH2 ARG A 82 65.765 17.147 54.693 1.00 0.00 N ATOM 0 H ARG A 82 63.350 24.400 54.873 1.00 0.00 H new ATOM 0 HA ARG A 82 64.262 22.596 56.950 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.683 21.446 54.677 1.00 0.00 H new ATOM 0 HB3 ARG A 82 65.843 22.725 54.377 1.00 0.00 H new ATOM 0 HG2 ARG A 82 67.224 21.166 55.430 1.00 0.00 H new ATOM 0 HG3 ARG A 82 66.729 22.125 56.810 1.00 0.00 H new ATOM 0 HD2 ARG A 82 66.242 20.072 57.710 1.00 0.00 H new ATOM 0 HD3 ARG A 82 64.730 20.283 56.850 1.00 0.00 H new ATOM 0 HE ARG A 82 67.076 18.875 55.641 1.00 0.00 H new ATOM 0 HH11 ARG A 82 63.642 18.683 56.471 1.00 0.00 H new ATOM 0 HH12 ARG A 82 63.443 17.234 55.480 1.00 0.00 H new ATOM 0 HH21 ARG A 82 66.746 17.181 54.417 1.00 0.00 H new ATOM 0 HH22 ARG A 82 65.162 16.402 54.344 1.00 0.00 H new ATOM 1255 N LEU A 83 65.752 24.432 57.599 1.00 0.00 N ATOM 1256 CA LEU A 83 66.785 25.323 58.084 1.00 0.00 C ATOM 1257 C LEU A 83 68.177 24.932 57.561 1.00 0.00 C ATOM 1258 O LEU A 83 68.472 23.765 57.300 1.00 0.00 O ATOM 1259 CB LEU A 83 66.782 25.335 59.619 1.00 0.00 C ATOM 1260 CG LEU A 83 65.706 26.187 60.296 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.277 25.665 60.123 1.00 0.00 C ATOM 1262 CD2 LEU A 83 65.981 26.280 61.798 1.00 0.00 C ATOM 0 H LEU A 83 65.402 23.809 58.327 1.00 0.00 H new ATOM 0 HA LEU A 83 66.565 26.322 57.708 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.672 24.308 59.967 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.757 25.685 59.959 1.00 0.00 H new ATOM 0 HG LEU A 83 65.764 27.157 59.802 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.582 26.331 60.635 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.029 25.628 59.062 1.00 0.00 H new ATOM 0 HD13 LEU A 83 64.201 24.664 60.548 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.211 26.888 62.272 1.00 0.00 H new ATOM 0 HD22 LEU A 83 65.972 25.280 62.232 1.00 0.00 H new ATOM 0 HD23 LEU A 83 66.956 26.738 61.962 1.00 0.00 H new ATOM 1274 N ASP A 84 69.069 25.914 57.528 1.00 0.00 N ATOM 1275 CA ASP A 84 70.507 25.720 57.388 1.00 0.00 C ATOM 1276 C ASP A 84 71.194 26.601 58.430 1.00 0.00 C ATOM 1277 O ASP A 84 71.043 27.817 58.426 1.00 0.00 O ATOM 1278 CB ASP A 84 70.986 26.048 55.965 1.00 0.00 C ATOM 1279 CG ASP A 84 72.469 25.693 55.809 1.00 0.00 C ATOM 1280 OD1 ASP A 84 73.311 26.354 56.459 1.00 0.00 O ATOM 1281 OD2 ASP A 84 72.764 24.697 55.115 1.00 0.00 O ATOM 0 H ASP A 84 68.804 26.896 57.600 1.00 0.00 H new ATOM 0 HA ASP A 84 70.762 24.674 57.556 1.00 0.00 H new ATOM 0 HB2 ASP A 84 70.394 25.493 55.237 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.835 27.107 55.758 1.00 0.00 H new ATOM 1286 N THR A 85 71.933 25.985 59.348 1.00 0.00 N ATOM 1287 CA THR A 85 72.879 26.684 60.242 1.00 0.00 C ATOM 1288 C THR A 85 74.334 26.256 59.986 1.00 0.00 C ATOM 1289 O THR A 85 75.214 26.387 60.836 1.00 0.00 O ATOM 1290 CB THR A 85 72.454 26.557 61.713 1.00 0.00 C ATOM 1291 OG1 THR A 85 73.240 27.414 62.505 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.561 25.143 62.287 1.00 0.00 C ATOM 0 H THR A 85 71.899 24.977 59.502 1.00 0.00 H new ATOM 0 HA THR A 85 72.842 27.747 60.005 1.00 0.00 H new ATOM 0 HB THR A 85 71.398 26.828 61.735 1.00 0.00 H new ATOM 0 HG1 THR A 85 74.169 27.385 62.195 1.00 0.00 H new ATOM 0 HG21 THR A 85 72.241 25.148 63.329 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.924 24.469 61.715 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.595 24.803 62.227 1.00 0.00 H new ATOM 1300 N SER A 86 74.581 25.712 58.797 1.00 0.00 N ATOM 1301 CA SER A 86 75.802 25.011 58.363 1.00 0.00 C ATOM 1302 C SER A 86 76.894 25.954 57.857 1.00 0.00 C ATOM 1303 O SER A 86 78.039 25.554 57.638 1.00 0.00 O ATOM 1304 CB SER A 86 75.442 23.954 57.308 1.00 0.00 C ATOM 1305 OG SER A 86 76.546 23.100 57.065 1.00 0.00 O ATOM 0 H SER A 86 73.886 25.749 58.051 1.00 0.00 H new ATOM 0 HA SER A 86 76.225 24.521 59.240 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.589 23.367 57.649 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.142 24.444 56.381 1.00 0.00 H new ATOM 0 HG SER A 86 77.378 23.613 57.136 1.00 0.00 H new ATOM 1311 N LEU A 87 76.532 27.228 57.763 1.00 0.00 N ATOM 1312 CA LEU A 87 77.414 28.386 57.615 1.00 0.00 C ATOM 1313 C LEU A 87 77.908 28.934 58.966 1.00 0.00 C ATOM 1314 O LEU A 87 78.431 30.043 59.051 1.00 0.00 O ATOM 1315 CB LEU A 87 76.695 29.467 56.788 1.00 0.00 C ATOM 1316 CG LEU A 87 76.178 29.028 55.410 1.00 0.00 C ATOM 1317 CD1 LEU A 87 75.412 30.185 54.768 1.00 0.00 C ATOM 1318 CD2 LEU A 87 77.304 28.599 54.467 1.00 0.00 C ATOM 0 H LEU A 87 75.549 27.501 57.790 1.00 0.00 H new ATOM 0 HA LEU A 87 78.312 28.066 57.086 1.00 0.00 H new ATOM 0 HB2 LEU A 87 75.851 29.839 57.369 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.379 30.304 56.648 1.00 0.00 H new ATOM 0 HG LEU A 87 75.531 28.165 55.567 1.00 0.00 H new ATOM 0 HD11 LEU A 87 75.043 29.878 53.789 1.00 0.00 H new ATOM 0 HD12 LEU A 87 74.570 30.461 55.403 1.00 0.00 H new ATOM 0 HD13 LEU A 87 76.076 31.042 54.653 1.00 0.00 H new ATOM 0 HD21 LEU A 87 76.881 28.299 53.508 1.00 0.00 H new ATOM 0 HD22 LEU A 87 77.990 29.433 54.316 1.00 0.00 H new ATOM 0 HD23 LEU A 87 77.844 27.759 54.904 1.00 0.00 H new ATOM 1330 N GLY A 88 77.663 28.191 60.044 1.00 0.00 N ATOM 1331 CA GLY A 88 77.905 28.622 61.431 1.00 0.00 C ATOM 1332 C GLY A 88 76.891 29.629 61.974 1.00 0.00 C ATOM 1333 O GLY A 88 77.000 30.094 63.107 1.00 0.00 O ATOM 0 H GLY A 88 77.281 27.247 59.982 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.904 27.743 62.075 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.901 29.061 61.492 1.00 0.00 H new ATOM 1337 N CYS A 89 75.919 30.002 61.146 1.00 0.00 N ATOM 1338 CA CYS A 89 74.894 31.000 61.432 1.00 0.00 C ATOM 1339 C CYS A 89 73.539 30.555 60.846 1.00 0.00 C ATOM 1340 O CYS A 89 73.501 30.216 59.661 1.00 0.00 O ATOM 1341 CB CYS A 89 75.379 32.328 60.840 1.00 0.00 C ATOM 1342 SG CYS A 89 74.460 33.703 61.579 1.00 0.00 S ATOM 0 H CYS A 89 75.821 29.598 60.215 1.00 0.00 H new ATOM 0 HA CYS A 89 74.738 31.118 62.504 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.446 32.451 61.025 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.241 32.326 59.759 1.00 0.00 H new ATOM 0 HG CYS A 89 74.878 34.826 61.074 1.00 0.00 H new ATOM 1348 N PRO A 90 72.436 30.542 61.620 1.00 0.00 N ATOM 1349 CA PRO A 90 71.176 29.937 61.189 1.00 0.00 C ATOM 1350 C PRO A 90 70.391 30.799 60.194 1.00 0.00 C ATOM 1351 O PRO A 90 70.278 32.017 60.355 1.00 0.00 O ATOM 1352 CB PRO A 90 70.380 29.691 62.477 1.00 0.00 C ATOM 1353 CG PRO A 90 70.888 30.785 63.415 1.00 0.00 C ATOM 1354 CD PRO A 90 72.361 30.901 63.031 1.00 0.00 C ATOM 0 HA PRO A 90 71.368 29.015 60.640 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.306 29.772 62.308 1.00 0.00 H new ATOM 0 HB3 PRO A 90 70.565 28.696 62.881 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.356 31.725 63.266 1.00 0.00 H new ATOM 0 HG3 PRO A 90 70.763 30.510 64.462 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.729 31.914 63.196 1.00 0.00 H new ATOM 0 HD3 PRO A 90 72.976 30.235 63.637 1.00 0.00 H new ATOM 1362 N ARG A 91 69.814 30.132 59.191 1.00 0.00 N ATOM 1363 CA ARG A 91 68.866 30.586 58.152 1.00 0.00 C ATOM 1364 C ARG A 91 67.717 29.568 58.008 1.00 0.00 C ATOM 1365 O ARG A 91 67.809 28.440 58.492 1.00 0.00 O ATOM 1366 CB ARG A 91 69.616 30.745 56.815 1.00 0.00 C ATOM 1367 CG ARG A 91 70.715 31.818 56.855 1.00 0.00 C ATOM 1368 CD ARG A 91 70.185 33.167 57.367 1.00 0.00 C ATOM 1369 NE ARG A 91 71.201 34.227 57.279 1.00 0.00 N ATOM 1370 CZ ARG A 91 72.242 34.347 58.085 1.00 0.00 C ATOM 1371 NH1 ARG A 91 72.349 33.669 59.193 1.00 0.00 N ATOM 1372 NH2 ARG A 91 73.215 35.150 57.786 1.00 0.00 N ATOM 0 H ARG A 91 70.021 29.141 59.067 1.00 0.00 H new ATOM 0 HA ARG A 91 68.440 31.547 58.439 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.062 29.789 56.541 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.900 30.998 56.033 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.528 31.480 57.498 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.131 31.948 55.856 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.308 33.456 56.787 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.861 33.060 58.402 1.00 0.00 H new ATOM 0 HE ARG A 91 71.094 34.922 56.540 1.00 0.00 H new ATOM 0 HH11 ARG A 91 71.613 33.017 59.465 1.00 0.00 H new ATOM 0 HH12 ARG A 91 73.169 33.790 59.788 1.00 0.00 H new ATOM 0 HH21 ARG A 91 73.180 35.694 56.924 1.00 0.00 H new ATOM 0 HH22 ARG A 91 74.015 35.237 58.413 1.00 0.00 H new ATOM 1386 N MET A 92 66.638 29.960 57.336 1.00 0.00 N ATOM 1387 CA MET A 92 65.412 29.202 57.118 1.00 0.00 C ATOM 1388 C MET A 92 65.009 29.272 55.639 1.00 0.00 C ATOM 1389 O MET A 92 64.975 30.351 55.047 1.00 0.00 O ATOM 1390 CB MET A 92 64.302 29.804 57.978 1.00 0.00 C ATOM 1391 CG MET A 92 64.018 29.085 59.293 1.00 0.00 C ATOM 1392 SD MET A 92 62.583 29.703 60.218 1.00 0.00 S ATOM 1393 CE MET A 92 63.231 31.288 60.822 1.00 0.00 C ATOM 0 H MET A 92 66.596 30.881 56.899 1.00 0.00 H new ATOM 0 HA MET A 92 65.573 28.159 57.391 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.561 30.839 58.200 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.384 29.824 57.391 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.867 28.026 59.084 1.00 0.00 H new ATOM 0 HG3 MET A 92 64.900 29.162 59.928 1.00 0.00 H new ATOM 0 HE1 MET A 92 62.472 31.785 61.426 1.00 0.00 H new ATOM 0 HE2 MET A 92 64.119 31.111 61.429 1.00 0.00 H new ATOM 0 HE3 MET A 92 63.492 31.921 59.974 1.00 0.00 H new ATOM 1403 N GLU A 93 64.655 28.134 55.057 1.00 0.00 N ATOM 1404 CA GLU A 93 64.145 28.033 53.671 1.00 0.00 C ATOM 1405 C GLU A 93 62.885 27.154 53.557 1.00 0.00 C ATOM 1406 O GLU A 93 62.742 26.160 54.271 1.00 0.00 O ATOM 1407 CB GLU A 93 65.292 27.593 52.744 1.00 0.00 C ATOM 1408 CG GLU A 93 64.855 26.869 51.456 1.00 0.00 C ATOM 1409 CD GLU A 93 66.037 26.499 50.557 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.113 26.100 51.055 1.00 0.00 O ATOM 1411 OE2 GLU A 93 65.937 26.616 49.315 1.00 0.00 O ATOM 0 H GLU A 93 64.710 27.233 55.532 1.00 0.00 H new ATOM 0 HA GLU A 93 63.806 29.017 53.347 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.872 28.473 52.468 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.958 26.935 53.303 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.308 25.964 51.720 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.167 27.507 50.901 1.00 0.00 H new ATOM 1418 N VAL A 94 61.974 27.517 52.645 1.00 0.00 N ATOM 1419 CA VAL A 94 60.698 26.837 52.365 1.00 0.00 C ATOM 1420 C VAL A 94 60.505 26.609 50.857 1.00 0.00 C ATOM 1421 O VAL A 94 60.926 27.418 50.029 1.00 0.00 O ATOM 1422 CB VAL A 94 59.488 27.580 52.975 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.726 28.066 54.414 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.005 28.793 52.168 1.00 0.00 C ATOM 0 H VAL A 94 62.112 28.335 52.051 1.00 0.00 H new ATOM 0 HA VAL A 94 60.750 25.863 52.851 1.00 0.00 H new ATOM 0 HB VAL A 94 58.719 26.808 52.956 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.835 28.578 54.777 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.940 27.211 55.056 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.572 28.753 54.431 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.154 29.250 52.672 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.812 29.521 52.087 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.706 28.471 51.171 1.00 0.00 H new ATOM 1434 N VAL A 95 59.861 25.501 50.482 1.00 0.00 N ATOM 1435 CA VAL A 95 59.792 25.032 49.084 1.00 0.00 C ATOM 1436 C VAL A 95 58.419 24.443 48.749 1.00 0.00 C ATOM 1437 O VAL A 95 57.782 23.782 49.581 1.00 0.00 O ATOM 1438 CB VAL A 95 60.915 24.007 48.768 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.288 24.427 49.320 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.661 22.588 49.292 1.00 0.00 C ATOM 0 H VAL A 95 59.368 24.896 51.139 1.00 0.00 H new ATOM 0 HA VAL A 95 59.945 25.907 48.452 1.00 0.00 H new ATOM 0 HB VAL A 95 60.910 23.997 47.678 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.029 23.669 49.066 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.580 25.382 48.882 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.229 24.528 50.404 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.499 21.945 49.023 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.557 22.614 50.377 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.746 22.195 48.849 1.00 0.00 H new ATOM 1450 N CYS A 96 57.988 24.612 47.499 1.00 0.00 N ATOM 1451 CA CYS A 96 56.823 23.961 46.959 1.00 0.00 C ATOM 1452 C CYS A 96 57.157 22.481 46.693 1.00 0.00 C ATOM 1453 O CYS A 96 57.740 22.083 45.684 1.00 0.00 O ATOM 1454 CB CYS A 96 56.378 24.773 45.741 1.00 0.00 C ATOM 1455 SG CYS A 96 54.802 24.143 45.107 1.00 0.00 S ATOM 0 H CYS A 96 58.458 25.221 46.829 1.00 0.00 H new ATOM 0 HA CYS A 96 55.975 23.936 47.644 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.274 25.823 46.014 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.139 24.720 44.962 1.00 0.00 H new ATOM 0 HG CYS A 96 54.704 24.415 43.840 1.00 0.00 H new ATOM 1460 N LYS A 97 56.754 21.668 47.665 1.00 0.00 N ATOM 1461 CA LYS A 97 56.638 20.200 47.591 1.00 0.00 C ATOM 1462 C LYS A 97 55.847 19.729 46.360 1.00 0.00 C ATOM 1463 O LYS A 97 56.007 18.587 45.937 1.00 0.00 O ATOM 1464 CB LYS A 97 55.978 19.754 48.908 1.00 0.00 C ATOM 1465 CG LYS A 97 55.625 18.263 49.065 1.00 0.00 C ATOM 1466 CD LYS A 97 54.191 17.910 48.614 1.00 0.00 C ATOM 1467 CE LYS A 97 53.766 16.532 49.136 1.00 0.00 C ATOM 1468 NZ LYS A 97 53.988 15.451 48.147 1.00 0.00 N ATOM 0 H LYS A 97 56.483 22.028 48.580 1.00 0.00 H new ATOM 0 HA LYS A 97 57.622 19.746 47.472 1.00 0.00 H new ATOM 0 HB2 LYS A 97 56.644 20.029 49.726 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.062 20.330 49.036 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.334 17.669 48.488 1.00 0.00 H new ATOM 0 HG3 LYS A 97 55.747 17.979 50.110 1.00 0.00 H new ATOM 0 HD2 LYS A 97 53.497 18.668 48.976 1.00 0.00 H new ATOM 0 HD3 LYS A 97 54.137 17.922 47.525 1.00 0.00 H new ATOM 0 HE2 LYS A 97 54.322 16.306 50.046 1.00 0.00 H new ATOM 0 HE3 LYS A 97 52.710 16.560 49.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.684 14.542 48.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 53.437 15.649 47.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 54.999 15.402 47.907 1.00 0.00 H new ATOM 1482 N GLN A 98 54.981 20.589 45.825 1.00 0.00 N ATOM 1483 CA GLN A 98 54.035 20.294 44.770 1.00 0.00 C ATOM 1484 C GLN A 98 54.616 20.384 43.352 1.00 0.00 C ATOM 1485 O GLN A 98 54.309 19.529 42.522 1.00 0.00 O ATOM 1486 CB GLN A 98 52.794 21.154 44.922 1.00 0.00 C ATOM 1487 CG GLN A 98 52.233 21.239 46.345 1.00 0.00 C ATOM 1488 CD GLN A 98 50.805 21.758 46.340 1.00 0.00 C ATOM 1489 OE1 GLN A 98 49.928 21.256 47.030 1.00 0.00 O ATOM 1490 NE2 GLN A 98 50.503 22.746 45.536 1.00 0.00 N ATOM 0 H GLN A 98 54.924 21.558 46.138 1.00 0.00 H new ATOM 0 HA GLN A 98 53.764 19.245 44.890 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.025 22.162 44.578 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.017 20.763 44.265 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.264 20.254 46.811 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.860 21.896 46.948 1.00 0.00 H new ATOM 0 HE21 GLN A 98 51.227 23.171 44.957 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.544 23.090 45.489 1.00 0.00 H new ATOM 1499 N CYS A 99 55.444 21.397 43.096 1.00 0.00 N ATOM 1500 CA CYS A 99 56.025 21.715 41.788 1.00 0.00 C ATOM 1501 C CYS A 99 57.575 21.858 41.765 1.00 0.00 C ATOM 1502 O CYS A 99 58.152 22.087 40.699 1.00 0.00 O ATOM 1503 CB CYS A 99 55.301 22.966 41.277 1.00 0.00 C ATOM 1504 SG CYS A 99 55.454 24.332 42.463 1.00 0.00 S ATOM 0 H CYS A 99 55.742 22.047 43.824 1.00 0.00 H new ATOM 0 HA CYS A 99 55.869 20.867 41.121 1.00 0.00 H new ATOM 0 HB2 CYS A 99 55.718 23.265 40.315 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.248 22.739 41.111 1.00 0.00 H new ATOM 0 HG CYS A 99 55.356 23.869 43.674 1.00 0.00 H new ATOM 1509 N GLU A 100 58.243 21.662 42.909 1.00 0.00 N ATOM 1510 CA GLU A 100 59.695 21.779 43.152 1.00 0.00 C ATOM 1511 C GLU A 100 60.240 23.225 43.179 1.00 0.00 C ATOM 1512 O GLU A 100 61.439 23.460 42.995 1.00 0.00 O ATOM 1513 CB GLU A 100 60.506 20.806 42.276 1.00 0.00 C ATOM 1514 CG GLU A 100 60.151 19.352 42.589 1.00 0.00 C ATOM 1515 CD GLU A 100 60.359 18.455 41.367 1.00 0.00 C ATOM 1516 OE1 GLU A 100 59.507 18.473 40.452 1.00 0.00 O ATOM 1517 OE2 GLU A 100 61.359 17.698 41.319 1.00 0.00 O ATOM 0 H GLU A 100 57.746 21.396 43.759 1.00 0.00 H new ATOM 0 HA GLU A 100 59.845 21.456 44.182 1.00 0.00 H new ATOM 0 HB2 GLU A 100 60.311 21.012 41.223 1.00 0.00 H new ATOM 0 HB3 GLU A 100 61.572 20.966 42.441 1.00 0.00 H new ATOM 0 HG2 GLU A 100 60.766 18.994 43.415 1.00 0.00 H new ATOM 0 HG3 GLU A 100 59.113 19.291 42.916 1.00 0.00 H new ATOM 1524 N ALA A 101 59.375 24.212 43.436 1.00 0.00 N ATOM 1525 CA ALA A 101 59.727 25.634 43.460 1.00 0.00 C ATOM 1526 C ALA A 101 60.269 26.112 44.832 1.00 0.00 C ATOM 1527 O ALA A 101 59.518 26.503 45.727 1.00 0.00 O ATOM 1528 CB ALA A 101 58.517 26.430 42.947 1.00 0.00 C ATOM 0 H ALA A 101 58.390 24.040 43.637 1.00 0.00 H new ATOM 0 HA ALA A 101 60.571 25.814 42.795 1.00 0.00 H new ATOM 0 HB1 ALA A 101 58.752 27.494 42.954 1.00 0.00 H new ATOM 0 HB2 ALA A 101 58.281 26.118 41.930 1.00 0.00 H new ATOM 0 HB3 ALA A 101 57.659 26.244 43.592 1.00 0.00 H new ATOM 1534 N HIS A 102 61.596 26.123 45.004 1.00 0.00 N ATOM 1535 CA HIS A 102 62.287 26.503 46.249 1.00 0.00 C ATOM 1536 C HIS A 102 62.559 28.014 46.402 1.00 0.00 C ATOM 1537 O HIS A 102 63.692 28.463 46.564 1.00 0.00 O ATOM 1538 CB HIS A 102 63.522 25.613 46.418 1.00 0.00 C ATOM 1539 CG HIS A 102 64.592 25.735 45.362 1.00 0.00 C ATOM 1540 ND1 HIS A 102 65.526 26.744 45.277 1.00 0.00 N ATOM 1541 CD2 HIS A 102 64.912 24.807 44.410 1.00 0.00 C ATOM 1542 CE1 HIS A 102 66.378 26.448 44.286 1.00 0.00 C ATOM 1543 NE2 HIS A 102 66.042 25.271 43.726 1.00 0.00 N ATOM 0 H HIS A 102 62.242 25.860 44.259 1.00 0.00 H new ATOM 0 HA HIS A 102 61.612 26.318 47.084 1.00 0.00 H new ATOM 0 HB2 HIS A 102 63.972 25.835 47.386 1.00 0.00 H new ATOM 0 HB3 HIS A 102 63.192 24.575 46.450 1.00 0.00 H new ATOM 0 HD1 HIS A 102 65.563 27.575 45.868 1.00 0.00 H new ATOM 0 HD2 HIS A 102 64.387 23.882 44.220 1.00 0.00 H new ATOM 0 HE1 HIS A 102 67.212 27.063 43.981 1.00 0.00 H new ATOM 1551 N LEU A 103 61.506 28.824 46.275 1.00 0.00 N ATOM 1552 CA LEU A 103 61.644 30.269 45.985 1.00 0.00 C ATOM 1553 C LEU A 103 61.615 31.209 47.194 1.00 0.00 C ATOM 1554 O LEU A 103 61.782 32.424 47.045 1.00 0.00 O ATOM 1555 CB LEU A 103 60.568 30.718 44.983 1.00 0.00 C ATOM 1556 CG LEU A 103 60.275 29.772 43.817 1.00 0.00 C ATOM 1557 CD1 LEU A 103 59.248 30.447 42.919 1.00 0.00 C ATOM 1558 CD2 LEU A 103 61.509 29.391 43.001 1.00 0.00 C ATOM 0 H LEU A 103 60.540 28.510 46.367 1.00 0.00 H new ATOM 0 HA LEU A 103 62.649 30.356 45.572 1.00 0.00 H new ATOM 0 HB2 LEU A 103 59.640 30.880 45.531 1.00 0.00 H new ATOM 0 HB3 LEU A 103 60.868 31.682 44.572 1.00 0.00 H new ATOM 0 HG LEU A 103 59.901 28.837 44.234 1.00 0.00 H new ATOM 0 HD11 LEU A 103 59.018 29.796 42.076 1.00 0.00 H new ATOM 0 HD12 LEU A 103 58.338 30.640 43.488 1.00 0.00 H new ATOM 0 HD13 LEU A 103 59.652 31.390 42.549 1.00 0.00 H new ATOM 0 HD21 LEU A 103 61.218 28.719 42.194 1.00 0.00 H new ATOM 0 HD22 LEU A 103 61.959 30.290 42.580 1.00 0.00 H new ATOM 0 HD23 LEU A 103 62.232 28.892 43.646 1.00 0.00 H new ATOM 1570 N GLY A 104 61.321 30.649 48.359 1.00 0.00 N ATOM 1571 CA GLY A 104 60.983 31.339 49.593 1.00 0.00 C ATOM 1572 C GLY A 104 61.944 31.030 50.730 1.00 0.00 C ATOM 1573 O GLY A 104 62.229 29.881 51.054 1.00 0.00 O ATOM 0 H GLY A 104 61.312 29.635 48.473 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.977 32.414 49.412 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.973 31.061 49.893 1.00 0.00 H new ATOM 1577 N HIS A 105 62.427 32.079 51.376 1.00 0.00 N ATOM 1578 CA HIS A 105 63.425 31.981 52.431 1.00 0.00 C ATOM 1579 C HIS A 105 63.256 33.111 53.444 1.00 0.00 C ATOM 1580 O HIS A 105 62.734 34.176 53.117 1.00 0.00 O ATOM 1581 CB HIS A 105 64.847 31.956 51.843 1.00 0.00 C ATOM 1582 CG HIS A 105 64.969 31.934 50.335 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.593 32.930 49.457 1.00 0.00 N ATOM 1584 CD2 HIS A 105 65.438 30.889 49.587 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.822 32.489 48.209 1.00 0.00 C ATOM 1586 NE2 HIS A 105 65.373 31.263 48.239 1.00 0.00 N ATOM 0 H HIS A 105 62.133 33.036 51.180 1.00 0.00 H new ATOM 0 HA HIS A 105 63.273 31.039 52.959 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.381 32.831 52.213 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.361 31.079 52.237 1.00 0.00 H new ATOM 0 HD1 HIS A 105 64.209 33.840 49.711 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.795 29.944 49.968 1.00 0.00 H new ATOM 0 HE1 HIS A 105 64.596 33.041 47.309 1.00 0.00 H new ATOM 1594 N VAL A 106 63.682 32.873 54.680 1.00 0.00 N ATOM 1595 CA VAL A 106 63.524 33.818 55.796 1.00 0.00 C ATOM 1596 C VAL A 106 64.783 33.892 56.654 1.00 0.00 C ATOM 1597 O VAL A 106 65.363 32.878 57.044 1.00 0.00 O ATOM 1598 CB VAL A 106 62.216 33.583 56.584 1.00 0.00 C ATOM 1599 CG1 VAL A 106 61.961 32.149 57.042 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.065 34.486 57.807 1.00 0.00 C ATOM 0 H VAL A 106 64.154 32.009 54.945 1.00 0.00 H new ATOM 0 HA VAL A 106 63.409 34.817 55.376 1.00 0.00 H new ATOM 0 HB VAL A 106 61.472 33.834 55.828 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.016 32.103 57.584 1.00 0.00 H new ATOM 0 HG12 VAL A 106 61.913 31.493 56.173 1.00 0.00 H new ATOM 0 HG13 VAL A 106 62.771 31.827 57.696 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.124 34.264 58.309 1.00 0.00 H new ATOM 0 HG22 VAL A 106 62.893 34.310 58.494 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.070 35.529 57.492 1.00 0.00 H new ATOM 1610 N PHE A 107 65.236 35.127 56.874 1.00 0.00 N ATOM 1611 CA PHE A 107 66.530 35.441 57.480 1.00 0.00 C ATOM 1612 C PHE A 107 66.404 36.420 58.671 1.00 0.00 C ATOM 1613 O PHE A 107 65.662 37.409 58.573 1.00 0.00 O ATOM 1614 CB PHE A 107 67.472 36.048 56.422 1.00 0.00 C ATOM 1615 CG PHE A 107 67.603 35.365 55.063 1.00 0.00 C ATOM 1616 CD1 PHE A 107 67.576 33.962 54.920 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.806 36.160 53.916 1.00 0.00 C ATOM 1618 CE1 PHE A 107 67.742 33.365 53.657 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.974 35.566 52.652 1.00 0.00 C ATOM 1620 CZ PHE A 107 67.943 34.168 52.522 1.00 0.00 C ATOM 0 H PHE A 107 64.698 35.958 56.629 1.00 0.00 H new ATOM 0 HA PHE A 107 66.939 34.505 57.861 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.148 37.074 56.244 1.00 0.00 H new ATOM 0 HB3 PHE A 107 68.468 36.100 56.861 1.00 0.00 H new ATOM 0 HD1 PHE A 107 67.426 33.339 55.790 1.00 0.00 H new ATOM 0 HD2 PHE A 107 67.833 37.236 54.009 1.00 0.00 H new ATOM 0 HE1 PHE A 107 67.715 32.290 53.560 1.00 0.00 H new ATOM 0 HE2 PHE A 107 68.127 36.186 51.781 1.00 0.00 H new ATOM 0 HZ PHE A 107 68.073 33.711 51.552 1.00 0.00 H new ATOM 1630 N PRO A 108 67.185 36.233 59.758 1.00 0.00 N ATOM 1631 CA PRO A 108 67.264 37.179 60.871 1.00 0.00 C ATOM 1632 C PRO A 108 68.049 38.438 60.484 1.00 0.00 C ATOM 1633 O PRO A 108 68.809 38.427 59.510 1.00 0.00 O ATOM 1634 CB PRO A 108 67.963 36.414 62.000 1.00 0.00 C ATOM 1635 CG PRO A 108 68.897 35.468 61.245 1.00 0.00 C ATOM 1636 CD PRO A 108 68.098 35.119 59.990 1.00 0.00 C ATOM 0 HA PRO A 108 66.276 37.530 61.170 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.514 37.083 62.661 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.251 35.869 62.620 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.844 35.948 60.999 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.133 34.581 61.832 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.760 34.975 59.136 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.548 34.188 60.127 1.00 0.00 H new ATOM 1644 N ASP A 109 67.892 39.509 61.264 1.00 0.00 N ATOM 1645 CA ASP A 109 68.569 40.799 61.065 1.00 0.00 C ATOM 1646 C ASP A 109 69.522 41.221 62.201 1.00 0.00 C ATOM 1647 O ASP A 109 70.143 42.283 62.121 1.00 0.00 O ATOM 1648 CB ASP A 109 67.504 41.873 60.786 1.00 0.00 C ATOM 1649 CG ASP A 109 66.728 42.248 62.051 1.00 0.00 C ATOM 1650 OD1 ASP A 109 66.193 41.317 62.691 1.00 0.00 O ATOM 1651 OD2 ASP A 109 66.771 43.448 62.420 1.00 0.00 O ATOM 0 H ASP A 109 67.274 39.506 62.075 1.00 0.00 H new ATOM 0 HA ASP A 109 69.232 40.682 60.208 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.983 42.762 60.377 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.810 41.508 60.029 1.00 0.00 H new ATOM 1656 N GLY A 110 69.625 40.397 63.245 1.00 0.00 N ATOM 1657 CA GLY A 110 70.376 40.665 64.485 1.00 0.00 C ATOM 1658 C GLY A 110 69.624 40.312 65.788 1.00 0.00 C ATOM 1659 O GLY A 110 70.104 39.454 66.540 1.00 0.00 O ATOM 0 H GLY A 110 69.170 39.484 63.256 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.309 40.102 64.457 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.642 41.722 64.511 1.00 0.00 H new ATOM 1663 N PRO A 111 68.477 40.960 66.086 1.00 0.00 N ATOM 1664 CA PRO A 111 67.603 40.675 67.235 1.00 0.00 C ATOM 1665 C PRO A 111 66.851 39.324 67.138 1.00 0.00 C ATOM 1666 O PRO A 111 67.242 38.412 66.408 1.00 0.00 O ATOM 1667 CB PRO A 111 66.674 41.903 67.319 1.00 0.00 C ATOM 1668 CG PRO A 111 66.566 42.371 65.876 1.00 0.00 C ATOM 1669 CD PRO A 111 67.988 42.140 65.384 1.00 0.00 C ATOM 0 HA PRO A 111 68.177 40.538 68.152 1.00 0.00 H new ATOM 0 HB2 PRO A 111 65.699 41.640 67.729 1.00 0.00 H new ATOM 0 HB3 PRO A 111 67.092 42.678 67.961 1.00 0.00 H new ATOM 0 HG2 PRO A 111 65.835 41.793 65.310 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.270 43.418 65.804 1.00 0.00 H new ATOM 0 HD2 PRO A 111 68.006 41.986 64.305 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.617 43.005 65.593 1.00 0.00 H new ATOM 1677 N LYS A 112 65.791 39.163 67.949 1.00 0.00 N ATOM 1678 CA LYS A 112 64.933 37.963 68.035 1.00 0.00 C ATOM 1679 C LYS A 112 64.310 37.570 66.685 1.00 0.00 C ATOM 1680 O LYS A 112 64.204 38.406 65.788 1.00 0.00 O ATOM 1681 CB LYS A 112 63.827 38.196 69.089 1.00 0.00 C ATOM 1682 CG LYS A 112 64.158 37.580 70.455 1.00 0.00 C ATOM 1683 CD LYS A 112 65.354 38.218 71.162 1.00 0.00 C ATOM 1684 CE LYS A 112 65.014 39.651 71.577 1.00 0.00 C ATOM 1685 NZ LYS A 112 66.008 40.177 72.526 1.00 0.00 N ATOM 0 H LYS A 112 65.494 39.897 68.592 1.00 0.00 H new ATOM 0 HA LYS A 112 65.569 37.130 68.334 1.00 0.00 H new ATOM 0 HB2 LYS A 112 63.668 39.268 69.209 1.00 0.00 H new ATOM 0 HB3 LYS A 112 62.891 37.774 68.724 1.00 0.00 H new ATOM 0 HG2 LYS A 112 63.283 37.664 71.100 1.00 0.00 H new ATOM 0 HG3 LYS A 112 64.355 36.516 70.322 1.00 0.00 H new ATOM 0 HD2 LYS A 112 65.624 37.631 72.040 1.00 0.00 H new ATOM 0 HD3 LYS A 112 66.220 38.218 70.500 1.00 0.00 H new ATOM 0 HE2 LYS A 112 64.976 40.289 70.694 1.00 0.00 H new ATOM 0 HE3 LYS A 112 64.024 39.676 72.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 65.754 41.150 72.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 66.026 39.580 73.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 66.948 40.174 72.081 1.00 0.00 H new ATOM 1699 N PRO A 113 63.798 36.327 66.537 1.00 0.00 N ATOM 1700 CA PRO A 113 63.085 35.911 65.327 1.00 0.00 C ATOM 1701 C PRO A 113 61.835 36.753 65.002 1.00 0.00 C ATOM 1702 O PRO A 113 61.334 36.691 63.884 1.00 0.00 O ATOM 1703 CB PRO A 113 62.749 34.427 65.523 1.00 0.00 C ATOM 1704 CG PRO A 113 62.715 34.266 67.041 1.00 0.00 C ATOM 1705 CD PRO A 113 63.808 35.230 67.500 1.00 0.00 C ATOM 0 HA PRO A 113 63.721 36.072 64.457 1.00 0.00 H new ATOM 0 HB2 PRO A 113 61.791 34.169 65.071 1.00 0.00 H new ATOM 0 HB3 PRO A 113 63.500 33.782 65.068 1.00 0.00 H new ATOM 0 HG2 PRO A 113 61.742 34.529 67.455 1.00 0.00 H new ATOM 0 HG3 PRO A 113 62.924 33.240 67.345 1.00 0.00 H new ATOM 0 HD2 PRO A 113 63.611 35.593 68.509 1.00 0.00 H new ATOM 0 HD3 PRO A 113 64.780 34.738 67.522 1.00 0.00 H new ATOM 1713 N THR A 114 61.377 37.598 65.928 1.00 0.00 N ATOM 1714 CA THR A 114 60.384 38.660 65.687 1.00 0.00 C ATOM 1715 C THR A 114 60.812 39.683 64.620 1.00 0.00 C ATOM 1716 O THR A 114 59.943 40.303 64.007 1.00 0.00 O ATOM 1717 CB THR A 114 60.113 39.409 67.004 1.00 0.00 C ATOM 1718 OG1 THR A 114 61.334 39.661 67.669 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.254 38.582 67.961 1.00 0.00 C ATOM 0 H THR A 114 61.693 37.565 66.897 1.00 0.00 H new ATOM 0 HA THR A 114 59.489 38.163 65.311 1.00 0.00 H new ATOM 0 HB THR A 114 59.594 40.331 66.742 1.00 0.00 H new ATOM 0 HG1 THR A 114 61.158 40.139 68.506 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.086 39.146 68.878 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.296 38.360 67.491 1.00 0.00 H new ATOM 0 HG23 THR A 114 59.767 37.650 68.197 1.00 0.00 H new ATOM 1727 N GLY A 115 62.120 39.844 64.376 1.00 0.00 N ATOM 1728 CA GLY A 115 62.704 40.722 63.353 1.00 0.00 C ATOM 1729 C GLY A 115 63.032 40.069 62.006 1.00 0.00 C ATOM 1730 O GLY A 115 63.455 40.757 61.077 1.00 0.00 O ATOM 0 H GLY A 115 62.831 39.344 64.910 1.00 0.00 H new ATOM 0 HA2 GLY A 115 62.013 41.546 63.175 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.620 41.155 63.756 1.00 0.00 H new ATOM 1734 N GLN A 116 62.842 38.753 61.867 1.00 0.00 N ATOM 1735 CA GLN A 116 63.146 38.043 60.626 1.00 0.00 C ATOM 1736 C GLN A 116 62.348 38.585 59.430 1.00 0.00 C ATOM 1737 O GLN A 116 61.178 38.948 59.550 1.00 0.00 O ATOM 1738 CB GLN A 116 62.881 36.541 60.765 1.00 0.00 C ATOM 1739 CG GLN A 116 63.715 35.828 61.842 1.00 0.00 C ATOM 1740 CD GLN A 116 64.597 34.672 61.382 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.781 34.362 60.219 1.00 0.00 O ATOM 1742 NE2 GLN A 116 65.205 33.976 62.315 1.00 0.00 N ATOM 0 H GLN A 116 62.475 38.155 62.608 1.00 0.00 H new ATOM 0 HA GLN A 116 64.206 38.211 60.436 1.00 0.00 H new ATOM 0 HB2 GLN A 116 61.825 36.394 60.989 1.00 0.00 H new ATOM 0 HB3 GLN A 116 63.073 36.064 59.804 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.352 36.570 62.323 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.033 35.451 62.604 1.00 0.00 H new ATOM 0 HE21 GLN A 116 65.070 34.213 63.298 1.00 0.00 H new ATOM 0 HE22 GLN A 116 65.813 33.199 62.057 1.00 0.00 H new ATOM 1751 N ARG A 117 62.971 38.578 58.247 1.00 0.00 N ATOM 1752 CA ARG A 117 62.356 39.010 56.987 1.00 0.00 C ATOM 1753 C ARG A 117 62.293 37.832 56.028 1.00 0.00 C ATOM 1754 O ARG A 117 63.295 37.150 55.816 1.00 0.00 O ATOM 1755 CB ARG A 117 63.095 40.203 56.359 1.00 0.00 C ATOM 1756 CG ARG A 117 63.245 41.432 57.282 1.00 0.00 C ATOM 1757 CD ARG A 117 64.501 41.441 58.170 1.00 0.00 C ATOM 1758 NE ARG A 117 65.720 41.823 57.426 1.00 0.00 N ATOM 1759 CZ ARG A 117 66.832 41.121 57.285 1.00 0.00 C ATOM 1760 NH1 ARG A 117 66.960 39.883 57.667 1.00 0.00 N ATOM 1761 NH2 ARG A 117 67.882 41.663 56.752 1.00 0.00 N ATOM 0 H ARG A 117 63.936 38.266 58.136 1.00 0.00 H new ATOM 0 HA ARG A 117 61.344 39.356 57.200 1.00 0.00 H new ATOM 0 HB2 ARG A 117 64.088 39.875 56.050 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.564 40.507 55.457 1.00 0.00 H new ATOM 0 HG2 ARG A 117 63.251 42.330 56.665 1.00 0.00 H new ATOM 0 HG3 ARG A 117 62.366 41.492 57.924 1.00 0.00 H new ATOM 0 HD2 ARG A 117 64.352 42.135 58.997 1.00 0.00 H new ATOM 0 HD3 ARG A 117 64.641 40.452 58.606 1.00 0.00 H new ATOM 0 HE ARG A 117 65.701 42.734 56.968 1.00 0.00 H new ATOM 0 HH11 ARG A 117 66.175 39.400 58.103 1.00 0.00 H new ATOM 0 HH12 ARG A 117 67.846 39.396 57.530 1.00 0.00 H new ATOM 0 HH21 ARG A 117 67.852 42.634 56.440 1.00 0.00 H new ATOM 0 HH22 ARG A 117 68.738 41.119 56.645 1.00 0.00 H new ATOM 1775 N PHE A 118 61.106 37.599 55.480 1.00 0.00 N ATOM 1776 CA PHE A 118 60.828 36.541 54.502 1.00 0.00 C ATOM 1777 C PHE A 118 60.824 37.126 53.087 1.00 0.00 C ATOM 1778 O PHE A 118 59.939 37.903 52.721 1.00 0.00 O ATOM 1779 CB PHE A 118 59.537 35.800 54.871 1.00 0.00 C ATOM 1780 CG PHE A 118 58.982 34.855 53.815 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.545 33.584 53.592 1.00 0.00 C ATOM 1782 CD2 PHE A 118 57.851 35.241 53.075 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.964 32.700 52.666 1.00 0.00 C ATOM 1784 CE2 PHE A 118 57.260 34.356 52.155 1.00 0.00 C ATOM 1785 CZ PHE A 118 57.812 33.080 51.958 1.00 0.00 C ATOM 0 H PHE A 118 60.282 38.155 55.708 1.00 0.00 H new ATOM 0 HA PHE A 118 61.620 35.792 54.523 1.00 0.00 H new ATOM 0 HB2 PHE A 118 59.718 35.229 55.782 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.772 36.540 55.105 1.00 0.00 H new ATOM 0 HD1 PHE A 118 60.429 33.286 54.136 1.00 0.00 H new ATOM 0 HD2 PHE A 118 57.432 36.227 53.214 1.00 0.00 H new ATOM 0 HE1 PHE A 118 59.404 31.728 52.499 1.00 0.00 H new ATOM 0 HE2 PHE A 118 56.383 34.657 51.601 1.00 0.00 H new ATOM 0 HZ PHE A 118 57.352 32.392 51.264 1.00 0.00 H new ATOM 1795 N CYS A 119 61.847 36.747 52.324 1.00 0.00 N ATOM 1796 CA CYS A 119 62.222 37.283 51.021 1.00 0.00 C ATOM 1797 C CYS A 119 62.015 36.190 49.961 1.00 0.00 C ATOM 1798 O CYS A 119 62.704 35.162 49.971 1.00 0.00 O ATOM 1799 CB CYS A 119 63.673 37.755 51.083 1.00 0.00 C ATOM 1800 SG CYS A 119 63.924 38.948 52.440 1.00 0.00 S ATOM 0 H CYS A 119 62.479 36.005 52.623 1.00 0.00 H new ATOM 0 HA CYS A 119 61.602 38.138 50.750 1.00 0.00 H new ATOM 0 HB2 CYS A 119 64.331 36.897 51.223 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.949 38.216 50.135 1.00 0.00 H new ATOM 0 HG CYS A 119 65.168 39.324 52.462 1.00 0.00 H new ATOM 1806 N ILE A 120 61.045 36.393 49.068 1.00 0.00 N ATOM 1807 CA ILE A 120 60.536 35.345 48.169 1.00 0.00 C ATOM 1808 C ILE A 120 60.340 35.844 46.741 1.00 0.00 C ATOM 1809 O ILE A 120 59.523 36.718 46.476 1.00 0.00 O ATOM 1810 CB ILE A 120 59.248 34.724 48.741 1.00 0.00 C ATOM 1811 CG1 ILE A 120 58.607 33.749 47.741 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.238 35.769 49.253 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.604 32.766 48.347 1.00 0.00 C ATOM 0 H ILE A 120 60.584 37.295 48.944 1.00 0.00 H new ATOM 0 HA ILE A 120 61.295 34.565 48.112 1.00 0.00 H new ATOM 0 HB ILE A 120 59.549 34.154 49.620 1.00 0.00 H new ATOM 0 HG12 ILE A 120 58.103 34.327 46.966 1.00 0.00 H new ATOM 0 HG13 ILE A 120 59.399 33.181 47.252 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.355 35.262 49.642 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.696 36.359 50.047 1.00 0.00 H new ATOM 0 HG23 ILE A 120 57.947 36.426 48.433 1.00 0.00 H new ATOM 0 HD11 ILE A 120 57.207 32.121 47.563 1.00 0.00 H new ATOM 0 HD12 ILE A 120 58.102 32.156 49.101 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.787 33.319 48.810 1.00 0.00 H new ATOM 1825 N ASN A 121 61.056 35.260 45.781 1.00 0.00 N ATOM 1826 CA ASN A 121 61.126 35.862 44.441 1.00 0.00 C ATOM 1827 C ASN A 121 59.927 35.589 43.513 1.00 0.00 C ATOM 1828 O ASN A 121 59.878 36.241 42.473 1.00 0.00 O ATOM 1829 CB ASN A 121 62.476 35.588 43.757 1.00 0.00 C ATOM 1830 CG ASN A 121 62.625 34.140 43.309 1.00 0.00 C ATOM 1831 OD1 ASN A 121 61.822 33.612 42.556 1.00 0.00 O ATOM 1832 ND2 ASN A 121 63.633 33.446 43.776 1.00 0.00 N ATOM 0 H ASN A 121 61.584 34.395 45.895 1.00 0.00 H new ATOM 0 HA ASN A 121 61.053 36.933 44.631 1.00 0.00 H new ATOM 0 HB2 ASN A 121 62.580 36.244 42.893 1.00 0.00 H new ATOM 0 HB3 ASN A 121 63.284 35.836 44.445 1.00 0.00 H new ATOM 0 HD21 ASN A 121 63.745 32.468 43.510 1.00 0.00 H new ATOM 0 HD22 ASN A 121 64.306 33.884 44.405 1.00 0.00 H new ATOM 1839 N SER A 122 58.990 34.696 43.864 1.00 0.00 N ATOM 1840 CA SER A 122 57.854 34.190 43.058 1.00 0.00 C ATOM 1841 C SER A 122 57.479 35.017 41.815 1.00 0.00 C ATOM 1842 O SER A 122 56.638 35.912 41.860 1.00 0.00 O ATOM 1843 CB SER A 122 56.626 34.026 43.960 1.00 0.00 C ATOM 1844 OG SER A 122 56.909 33.034 44.929 1.00 0.00 O ATOM 0 H SER A 122 59.002 34.271 44.791 1.00 0.00 H new ATOM 0 HA SER A 122 58.198 33.237 42.657 1.00 0.00 H new ATOM 0 HB2 SER A 122 56.384 34.971 44.446 1.00 0.00 H new ATOM 0 HB3 SER A 122 55.757 33.740 43.368 1.00 0.00 H new ATOM 0 HG SER A 122 56.132 32.919 45.516 1.00 0.00 H new ATOM 1850 N VAL A 123 58.143 34.693 40.701 1.00 0.00 N ATOM 1851 CA VAL A 123 58.099 35.402 39.398 1.00 0.00 C ATOM 1852 C VAL A 123 57.904 34.440 38.225 1.00 0.00 C ATOM 1853 O VAL A 123 57.185 34.732 37.280 1.00 0.00 O ATOM 1854 CB VAL A 123 59.380 36.244 39.234 1.00 0.00 C ATOM 1855 CG1 VAL A 123 60.675 35.422 39.352 1.00 0.00 C ATOM 1856 CG2 VAL A 123 59.414 37.068 37.941 1.00 0.00 C ATOM 0 H VAL A 123 58.764 33.884 40.673 1.00 0.00 H new ATOM 0 HA VAL A 123 57.233 36.064 39.392 1.00 0.00 H new ATOM 0 HB VAL A 123 59.338 36.936 40.075 1.00 0.00 H new ATOM 0 HG11 VAL A 123 61.536 36.079 39.226 1.00 0.00 H new ATOM 0 HG12 VAL A 123 60.719 34.951 40.334 1.00 0.00 H new ATOM 0 HG13 VAL A 123 60.690 34.653 38.580 1.00 0.00 H new ATOM 0 HG21 VAL A 123 60.344 37.634 37.895 1.00 0.00 H new ATOM 0 HG22 VAL A 123 59.353 36.400 37.082 1.00 0.00 H new ATOM 0 HG23 VAL A 123 58.569 37.757 37.926 1.00 0.00 H new ATOM 1866 N ALA A 124 58.460 33.235 38.348 1.00 0.00 N ATOM 1867 CA ALA A 124 58.169 32.068 37.506 1.00 0.00 C ATOM 1868 C ALA A 124 56.777 31.426 37.757 1.00 0.00 C ATOM 1869 O ALA A 124 56.441 30.415 37.141 1.00 0.00 O ATOM 1870 CB ALA A 124 59.318 31.073 37.725 1.00 0.00 C ATOM 0 H ALA A 124 59.155 33.034 39.067 1.00 0.00 H new ATOM 0 HA ALA A 124 58.109 32.384 36.465 1.00 0.00 H new ATOM 0 HB1 ALA A 124 59.149 30.183 37.119 1.00 0.00 H new ATOM 0 HB2 ALA A 124 60.261 31.536 37.435 1.00 0.00 H new ATOM 0 HB3 ALA A 124 59.361 30.792 38.777 1.00 0.00 H new ATOM 1876 N LEU A 125 55.992 32.024 38.656 1.00 0.00 N ATOM 1877 CA LEU A 125 54.651 31.628 39.124 1.00 0.00 C ATOM 1878 C LEU A 125 53.615 32.739 38.816 1.00 0.00 C ATOM 1879 O LEU A 125 53.933 33.714 38.133 1.00 0.00 O ATOM 1880 CB LEU A 125 54.732 31.293 40.630 1.00 0.00 C ATOM 1881 CG LEU A 125 55.695 30.151 41.016 1.00 0.00 C ATOM 1882 CD1 LEU A 125 55.623 29.926 42.527 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.362 28.827 40.325 1.00 0.00 C ATOM 0 H LEU A 125 56.303 32.877 39.121 1.00 0.00 H new ATOM 0 HA LEU A 125 54.311 30.739 38.593 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.033 32.193 41.167 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.733 31.033 40.979 1.00 0.00 H new ATOM 0 HG LEU A 125 56.691 30.456 40.695 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.301 29.120 42.808 1.00 0.00 H new ATOM 0 HD12 LEU A 125 55.912 30.840 43.045 1.00 0.00 H new ATOM 0 HD13 LEU A 125 54.604 29.657 42.807 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.075 28.064 40.638 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.354 28.516 40.600 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.419 28.956 39.244 1.00 0.00 H new ATOM 1895 N LYS A 126 52.363 32.607 39.274 1.00 0.00 N ATOM 1896 CA LYS A 126 51.269 33.566 39.001 1.00 0.00 C ATOM 1897 C LYS A 126 50.871 34.441 40.204 1.00 0.00 C ATOM 1898 O LYS A 126 51.197 34.150 41.354 1.00 0.00 O ATOM 1899 CB LYS A 126 50.067 32.814 38.442 1.00 0.00 C ATOM 1900 CG LYS A 126 50.323 32.315 37.021 1.00 0.00 C ATOM 1901 CD LYS A 126 50.472 33.398 35.939 1.00 0.00 C ATOM 1902 CE LYS A 126 51.934 33.527 35.494 1.00 0.00 C ATOM 1903 NZ LYS A 126 52.047 34.307 34.242 1.00 0.00 N ATOM 0 H LYS A 126 52.071 31.821 39.854 1.00 0.00 H new ATOM 0 HA LYS A 126 51.649 34.272 38.263 1.00 0.00 H new ATOM 0 HB2 LYS A 126 49.835 31.968 39.088 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.195 33.468 38.446 1.00 0.00 H new ATOM 0 HG2 LYS A 126 51.230 31.710 37.028 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.503 31.656 36.736 1.00 0.00 H new ATOM 0 HD2 LYS A 126 49.847 33.150 35.081 1.00 0.00 H new ATOM 0 HD3 LYS A 126 50.119 34.354 36.325 1.00 0.00 H new ATOM 0 HE2 LYS A 126 52.514 34.010 36.280 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.361 32.535 35.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 53.047 34.377 33.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 51.512 33.832 33.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 51.661 35.261 34.391 1.00 0.00 H new ATOM 1917 N PHE A 127 50.147 35.531 39.944 1.00 0.00 N ATOM 1918 CA PHE A 127 49.480 36.347 40.950 1.00 0.00 C ATOM 1919 C PHE A 127 48.176 36.968 40.429 1.00 0.00 C ATOM 1920 O PHE A 127 48.008 37.163 39.224 1.00 0.00 O ATOM 1921 CB PHE A 127 50.451 37.410 41.463 1.00 0.00 C ATOM 1922 CG PHE A 127 51.037 38.368 40.440 1.00 0.00 C ATOM 1923 CD1 PHE A 127 50.314 39.509 40.038 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.322 38.138 39.912 1.00 0.00 C ATOM 1925 CE1 PHE A 127 50.867 40.404 39.106 1.00 0.00 C ATOM 1926 CE2 PHE A 127 52.876 39.036 38.982 1.00 0.00 C ATOM 1927 CZ PHE A 127 52.146 40.167 38.575 1.00 0.00 C ATOM 0 H PHE A 127 50.007 35.878 38.995 1.00 0.00 H new ATOM 0 HA PHE A 127 49.189 35.702 41.779 1.00 0.00 H new ATOM 0 HB2 PHE A 127 49.936 38.000 42.222 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.277 36.901 41.961 1.00 0.00 H new ATOM 0 HD1 PHE A 127 49.332 39.696 40.447 1.00 0.00 H new ATOM 0 HD2 PHE A 127 52.884 37.269 40.222 1.00 0.00 H new ATOM 0 HE1 PHE A 127 50.308 41.275 38.798 1.00 0.00 H new ATOM 0 HE2 PHE A 127 53.862 38.857 38.580 1.00 0.00 H new ATOM 0 HZ PHE A 127 52.568 40.853 37.855 1.00 0.00 H new ATOM 1937 N LYS A 128 47.263 37.296 41.350 1.00 0.00 N ATOM 1938 CA LYS A 128 45.965 37.940 41.086 1.00 0.00 C ATOM 1939 C LYS A 128 45.521 38.834 42.260 1.00 0.00 C ATOM 1940 O LYS A 128 45.882 38.532 43.402 1.00 0.00 O ATOM 1941 CB LYS A 128 44.919 36.856 40.766 1.00 0.00 C ATOM 1942 CG LYS A 128 44.659 35.891 41.937 1.00 0.00 C ATOM 1943 CD LYS A 128 43.847 34.664 41.511 1.00 0.00 C ATOM 1944 CE LYS A 128 42.402 35.019 41.149 1.00 0.00 C ATOM 1945 NZ LYS A 128 41.640 33.790 40.844 1.00 0.00 N ATOM 0 H LYS A 128 47.412 37.114 42.342 1.00 0.00 H new ATOM 0 HA LYS A 128 46.066 38.599 40.224 1.00 0.00 H new ATOM 0 HB2 LYS A 128 43.982 37.337 40.487 1.00 0.00 H new ATOM 0 HB3 LYS A 128 45.253 36.284 39.901 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.612 35.566 42.355 1.00 0.00 H new ATOM 0 HG3 LYS A 128 44.127 36.419 42.728 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.328 34.192 40.654 1.00 0.00 H new ATOM 0 HD3 LYS A 128 43.847 33.933 42.319 1.00 0.00 H new ATOM 0 HE2 LYS A 128 41.932 35.552 41.975 1.00 0.00 H new ATOM 0 HE3 LYS A 128 42.388 35.688 40.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 40.661 34.040 40.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 42.082 33.298 40.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 41.640 33.166 41.676 1.00 0.00 H new ATOM 1959 N PRO A 129 44.758 39.916 42.020 1.00 0.00 N ATOM 1960 CA PRO A 129 44.233 40.777 43.082 1.00 0.00 C ATOM 1961 C PRO A 129 43.000 40.189 43.782 1.00 0.00 C ATOM 1962 O PRO A 129 42.486 39.147 43.372 1.00 0.00 O ATOM 1963 CB PRO A 129 43.908 42.101 42.383 1.00 0.00 C ATOM 1964 CG PRO A 129 43.485 41.650 40.987 1.00 0.00 C ATOM 1965 CD PRO A 129 44.388 40.448 40.714 1.00 0.00 C ATOM 0 HA PRO A 129 44.960 40.895 43.885 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.111 42.642 42.892 1.00 0.00 H new ATOM 0 HB3 PRO A 129 44.773 42.764 42.350 1.00 0.00 H new ATOM 0 HG2 PRO A 129 42.431 41.376 40.956 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.631 42.438 40.249 1.00 0.00 H new ATOM 0 HD2 PRO A 129 43.868 39.697 40.120 1.00 0.00 H new ATOM 0 HD3 PRO A 129 45.272 40.745 40.149 1.00 0.00 H new ATOM 1973 N SER A 130 42.541 40.851 44.851 1.00 0.00 N ATOM 1974 CA SER A 130 41.402 40.407 45.673 1.00 0.00 C ATOM 1975 C SER A 130 40.088 41.157 45.427 1.00 0.00 C ATOM 1976 O SER A 130 39.008 40.577 45.530 1.00 0.00 O ATOM 1977 CB SER A 130 41.755 40.568 47.138 1.00 0.00 C ATOM 1978 OG SER A 130 41.827 39.320 47.798 1.00 0.00 O ATOM 0 H SER A 130 42.955 41.724 45.177 1.00 0.00 H new ATOM 0 HA SER A 130 41.230 39.370 45.386 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.712 41.083 47.228 1.00 0.00 H new ATOM 0 HB3 SER A 130 41.009 41.195 47.626 1.00 0.00 H new ATOM 0 HG SER A 130 42.058 39.461 48.740 1.00 0.00 H new ATOM 1984 N LYS A 131 40.159 42.480 45.240 1.00 0.00 N ATOM 1985 CA LYS A 131 39.000 43.365 45.143 1.00 0.00 C ATOM 1986 C LYS A 131 38.126 43.141 43.887 1.00 0.00 C ATOM 1987 O LYS A 131 38.637 42.749 42.837 1.00 0.00 O ATOM 1988 CB LYS A 131 39.481 44.820 45.200 1.00 0.00 C ATOM 1989 CG LYS A 131 39.710 45.401 46.602 1.00 0.00 C ATOM 1990 CD LYS A 131 40.646 44.706 47.611 1.00 0.00 C ATOM 1991 CE LYS A 131 40.015 43.525 48.358 1.00 0.00 C ATOM 1992 NZ LYS A 131 39.090 43.948 49.431 1.00 0.00 N ATOM 0 H LYS A 131 41.047 42.974 45.150 1.00 0.00 H new ATOM 0 HA LYS A 131 38.354 43.128 45.988 1.00 0.00 H new ATOM 0 HB2 LYS A 131 40.414 44.895 44.641 1.00 0.00 H new ATOM 0 HB3 LYS A 131 38.750 45.443 44.685 1.00 0.00 H new ATOM 0 HG2 LYS A 131 40.083 46.416 46.469 1.00 0.00 H new ATOM 0 HG3 LYS A 131 38.732 45.481 47.077 1.00 0.00 H new ATOM 0 HD2 LYS A 131 41.531 44.353 47.082 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.983 45.442 48.341 1.00 0.00 H new ATOM 0 HE2 LYS A 131 39.476 42.899 47.647 1.00 0.00 H new ATOM 0 HE3 LYS A 131 40.806 42.910 48.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 38.695 43.108 49.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 39.606 44.523 50.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 38.318 44.511 49.021 1.00 0.00 H new