USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 SER OG : rot -164:sc= 0.723 USER MOD Set 1.2: A 131 LYS NZ :NH3+ 175:sc= 0.809 (180deg=0) USER MOD Set 2.1: A 45 SER OG : rot 88:sc= 0.917 USER MOD Set 2.2: A 98 GLN : amide:sc= 0.897 K(o=1.8,f=1.2) USER MOD Set 3.1: A 40 CYS SG : rot -126:sc= -6.45! USER MOD Set 3.2: A 43 CYS SG : rot -101:sc= -0.0031! USER MOD Set 3.3: A 96 CYS SG : rot -168:sc= -9.66! USER MOD Set 3.4: A 99 CYS SG : rot 13:sc= -18.5! USER MOD Set 3.5: A 102 HIS : no HE2:sc= -0.254 K(o=-35,f=-40) USER MOD Single : A 35 THR OG1 : rot 29:sc= 0.277 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.282 K(o=-0.28,f=-1.2) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.17) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 0.577 (180deg=0.231) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0609 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00121 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -140:sc= 1.15 (180deg=-0.693) USER MOD Single : A 105 HIS : no HE2:sc= 0.339 K(o=0.34,f=-2.4!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.876 K(o=0.88,f=-1.6) USER MOD Single : A 119 CYS SG : rot 143:sc= 0.454 USER MOD Single : A 121 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.24) 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 ----------------------------------------------------------------- ATOM 558 N THR A 35 44.199 44.079 46.785 1.00 0.00 N ATOM 559 CA THR A 35 44.520 42.852 47.518 1.00 0.00 C ATOM 560 C THR A 35 44.600 41.673 46.552 1.00 0.00 C ATOM 561 O THR A 35 43.941 41.644 45.522 1.00 0.00 O ATOM 562 CB THR A 35 43.461 42.575 48.600 1.00 0.00 C ATOM 563 OG1 THR A 35 43.075 43.751 49.284 1.00 0.00 O ATOM 564 CG2 THR A 35 43.954 41.608 49.666 1.00 0.00 C ATOM 0 HA THR A 35 45.487 42.982 48.005 1.00 0.00 H new ATOM 0 HB THR A 35 42.621 42.148 48.053 1.00 0.00 H new ATOM 0 HG1 THR A 35 43.177 44.524 48.690 1.00 0.00 H new ATOM 0 HG21 THR A 35 43.168 41.448 50.404 1.00 0.00 H new ATOM 0 HG22 THR A 35 44.215 40.657 49.202 1.00 0.00 H new ATOM 0 HG23 THR A 35 44.833 42.025 50.157 1.00 0.00 H new ATOM 572 N GLY A 36 45.364 40.635 46.880 1.00 0.00 N ATOM 573 CA GLY A 36 45.530 39.487 45.970 1.00 0.00 C ATOM 574 C GLY A 36 46.319 38.310 46.519 1.00 0.00 C ATOM 575 O GLY A 36 46.526 38.227 47.729 1.00 0.00 O ATOM 0 H GLY A 36 45.877 40.557 47.758 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.541 39.132 45.680 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.022 39.837 45.062 1.00 0.00 H new ATOM 579 N MET A 37 46.740 37.388 45.648 1.00 0.00 N ATOM 580 CA MET A 37 47.527 36.205 46.007 1.00 0.00 C ATOM 581 C MET A 37 48.367 35.645 44.849 1.00 0.00 C ATOM 582 O MET A 37 48.116 35.900 43.670 1.00 0.00 O ATOM 583 CB MET A 37 46.615 35.125 46.611 1.00 0.00 C ATOM 584 CG MET A 37 45.610 34.536 45.627 1.00 0.00 C ATOM 585 SD MET A 37 44.518 33.344 46.432 1.00 0.00 S ATOM 586 CE MET A 37 43.707 32.712 44.952 1.00 0.00 C ATOM 0 H MET A 37 46.538 37.445 44.650 1.00 0.00 H new ATOM 0 HA MET A 37 48.249 36.527 46.757 1.00 0.00 H new ATOM 0 HB2 MET A 37 47.235 34.320 47.005 1.00 0.00 H new ATOM 0 HB3 MET A 37 46.073 35.553 47.455 1.00 0.00 H new ATOM 0 HG2 MET A 37 45.016 35.338 45.189 1.00 0.00 H new ATOM 0 HG3 MET A 37 46.142 34.050 44.809 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.980 31.950 45.233 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.197 33.528 44.440 1.00 0.00 H new ATOM 0 HE3 MET A 37 44.452 32.275 44.287 1.00 0.00 H new ATOM 596 N TYR A 38 49.355 34.850 45.240 1.00 0.00 N ATOM 597 CA TYR A 38 50.381 34.194 44.442 1.00 0.00 C ATOM 598 C TYR A 38 50.157 32.678 44.397 1.00 0.00 C ATOM 599 O TYR A 38 49.771 32.041 45.382 1.00 0.00 O ATOM 600 CB TYR A 38 51.776 34.468 45.027 1.00 0.00 C ATOM 601 CG TYR A 38 52.280 35.893 44.905 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.872 36.872 45.832 1.00 0.00 C ATOM 603 CD2 TYR A 38 53.200 36.223 43.890 1.00 0.00 C ATOM 604 CE1 TYR A 38 52.377 38.182 45.735 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.696 37.537 43.783 1.00 0.00 C ATOM 606 CZ TYR A 38 53.284 38.520 44.709 1.00 0.00 C ATOM 607 OH TYR A 38 53.764 39.788 44.625 1.00 0.00 O ATOM 0 H TYR A 38 49.468 34.626 46.229 1.00 0.00 H new ATOM 0 HA TYR A 38 50.317 34.598 43.432 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.765 34.197 46.083 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.490 33.808 44.535 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.173 36.618 46.615 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.526 35.466 43.192 1.00 0.00 H new ATOM 0 HE1 TYR A 38 52.069 38.931 46.449 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.389 37.792 42.995 1.00 0.00 H new ATOM 0 HH TYR A 38 54.378 39.856 43.864 1.00 0.00 H new ATOM 617 N HIS A 39 50.465 32.121 43.236 1.00 0.00 N ATOM 618 CA HIS A 39 50.533 30.695 42.938 1.00 0.00 C ATOM 619 C HIS A 39 51.784 30.399 42.095 1.00 0.00 C ATOM 620 O HIS A 39 52.397 31.309 41.531 1.00 0.00 O ATOM 621 CB HIS A 39 49.247 30.224 42.219 1.00 0.00 C ATOM 622 CG HIS A 39 48.680 31.111 41.133 1.00 0.00 C ATOM 623 ND1 HIS A 39 48.069 32.329 41.329 1.00 0.00 N ATOM 624 CD2 HIS A 39 48.444 30.752 39.832 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.487 32.701 40.181 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.677 31.767 39.235 1.00 0.00 N ATOM 0 H HIS A 39 50.690 32.691 42.420 1.00 0.00 H new ATOM 0 HA HIS A 39 50.607 30.139 43.873 1.00 0.00 H new ATOM 0 HB2 HIS A 39 49.447 29.246 41.782 1.00 0.00 H new ATOM 0 HB3 HIS A 39 48.474 30.083 42.974 1.00 0.00 H new ATOM 0 HD2 HIS A 39 48.787 29.848 39.350 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.942 33.622 40.037 1.00 0.00 H new ATOM 0 HE2 HIS A 39 47.333 31.790 38.275 1.00 0.00 H new ATOM 634 N CYS A 40 52.157 29.128 41.994 1.00 0.00 N ATOM 635 CA CYS A 40 53.172 28.646 41.097 1.00 0.00 C ATOM 636 C CYS A 40 52.810 28.951 39.620 1.00 0.00 C ATOM 637 O CYS A 40 51.646 29.071 39.229 1.00 0.00 O ATOM 638 CB CYS A 40 53.267 27.133 41.362 1.00 0.00 C ATOM 639 SG CYS A 40 53.555 26.703 43.102 1.00 0.00 S ATOM 0 H CYS A 40 51.740 28.388 42.559 1.00 0.00 H new ATOM 0 HA CYS A 40 54.129 29.138 41.267 1.00 0.00 H new ATOM 0 HB2 CYS A 40 52.344 26.658 41.029 1.00 0.00 H new ATOM 0 HB3 CYS A 40 54.074 26.719 40.758 1.00 0.00 H new ATOM 0 HG CYS A 40 54.594 25.927 43.191 1.00 0.00 H new ATOM 644 N VAL A 41 53.844 28.957 38.784 1.00 0.00 N ATOM 645 CA VAL A 41 53.732 28.714 37.324 1.00 0.00 C ATOM 646 C VAL A 41 53.923 27.227 36.952 1.00 0.00 C ATOM 647 O VAL A 41 54.111 26.889 35.781 1.00 0.00 O ATOM 648 CB VAL A 41 54.610 29.696 36.521 1.00 0.00 C ATOM 649 CG1 VAL A 41 56.079 29.277 36.399 1.00 0.00 C ATOM 650 CG2 VAL A 41 54.062 29.964 35.113 1.00 0.00 C ATOM 0 H VAL A 41 54.801 29.132 39.091 1.00 0.00 H new ATOM 0 HA VAL A 41 52.706 28.931 37.027 1.00 0.00 H new ATOM 0 HB VAL A 41 54.570 30.610 37.114 1.00 0.00 H new ATOM 0 HG11 VAL A 41 56.623 30.023 35.820 1.00 0.00 H new ATOM 0 HG12 VAL A 41 56.519 29.198 37.393 1.00 0.00 H new ATOM 0 HG13 VAL A 41 56.141 28.312 35.897 1.00 0.00 H new ATOM 0 HG21 VAL A 41 54.719 30.661 34.593 1.00 0.00 H new ATOM 0 HG22 VAL A 41 54.014 29.028 34.557 1.00 0.00 H new ATOM 0 HG23 VAL A 41 53.063 30.394 35.187 1.00 0.00 H new ATOM 660 N CYS A 42 53.905 26.336 37.952 1.00 0.00 N ATOM 661 CA CYS A 42 54.417 24.968 37.855 1.00 0.00 C ATOM 662 C CYS A 42 53.377 23.864 38.146 1.00 0.00 C ATOM 663 O CYS A 42 53.352 22.881 37.402 1.00 0.00 O ATOM 664 CB CYS A 42 55.623 24.869 38.797 1.00 0.00 C ATOM 665 SG CYS A 42 57.021 25.856 38.186 1.00 0.00 S ATOM 0 H CYS A 42 53.524 26.555 38.873 1.00 0.00 H new ATOM 0 HA CYS A 42 54.699 24.783 36.819 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.339 25.213 39.792 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.926 23.827 38.895 1.00 0.00 H new ATOM 0 HG CYS A 42 58.021 25.749 39.010 1.00 0.00 H new ATOM 671 N CYS A 43 52.536 23.985 39.179 1.00 0.00 N ATOM 672 CA CYS A 43 51.584 22.959 39.603 1.00 0.00 C ATOM 673 C CYS A 43 50.122 23.261 39.195 1.00 0.00 C ATOM 674 O CYS A 43 49.674 22.856 38.118 1.00 0.00 O ATOM 675 CB CYS A 43 51.803 22.727 41.113 1.00 0.00 C ATOM 676 SG CYS A 43 51.790 24.278 42.043 1.00 0.00 S ATOM 0 H CYS A 43 52.500 24.824 39.758 1.00 0.00 H new ATOM 0 HA CYS A 43 51.774 22.026 39.072 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.024 22.068 41.496 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.755 22.219 41.268 1.00 0.00 H new ATOM 0 HG CYS A 43 53.012 24.637 42.306 1.00 0.00 H new ATOM 681 N ASP A 44 49.388 23.908 40.107 1.00 0.00 N ATOM 682 CA ASP A 44 47.943 24.179 40.052 1.00 0.00 C ATOM 683 C ASP A 44 47.490 25.319 40.987 1.00 0.00 C ATOM 684 O ASP A 44 46.713 26.188 40.586 1.00 0.00 O ATOM 685 CB ASP A 44 47.162 22.910 40.445 1.00 0.00 C ATOM 686 CG ASP A 44 47.082 21.860 39.337 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.539 22.176 38.255 1.00 0.00 O ATOM 688 OD2 ASP A 44 47.479 20.691 39.561 1.00 0.00 O ATOM 0 H ASP A 44 49.811 24.280 40.957 1.00 0.00 H new ATOM 0 HA ASP A 44 47.736 24.485 39.027 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.632 22.463 41.321 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.151 23.194 40.736 1.00 0.00 H new ATOM 693 N SER A 45 47.901 25.283 42.258 1.00 0.00 N ATOM 694 CA SER A 45 47.247 25.969 43.380 1.00 0.00 C ATOM 695 C SER A 45 48.039 27.119 44.037 1.00 0.00 C ATOM 696 O SER A 45 49.266 27.157 43.960 1.00 0.00 O ATOM 697 CB SER A 45 46.845 24.915 44.419 1.00 0.00 C ATOM 698 OG SER A 45 47.794 23.876 44.552 1.00 0.00 O ATOM 0 H SER A 45 48.727 24.758 42.546 1.00 0.00 H new ATOM 0 HA SER A 45 46.381 26.478 42.958 1.00 0.00 H new ATOM 0 HB2 SER A 45 46.709 25.400 45.386 1.00 0.00 H new ATOM 0 HB3 SER A 45 45.883 24.486 44.139 1.00 0.00 H new ATOM 0 HG SER A 45 48.471 24.134 45.212 1.00 0.00 H new ATOM 704 N PRO A 46 47.351 28.068 44.711 1.00 0.00 N ATOM 705 CA PRO A 46 47.983 29.171 45.430 1.00 0.00 C ATOM 706 C PRO A 46 48.476 28.782 46.822 1.00 0.00 C ATOM 707 O PRO A 46 47.916 27.906 47.478 1.00 0.00 O ATOM 708 CB PRO A 46 46.922 30.269 45.485 1.00 0.00 C ATOM 709 CG PRO A 46 45.637 29.456 45.642 1.00 0.00 C ATOM 710 CD PRO A 46 45.902 28.220 44.781 1.00 0.00 C ATOM 0 HA PRO A 46 48.888 29.499 44.918 1.00 0.00 H new ATOM 0 HB2 PRO A 46 47.080 30.949 46.322 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.914 30.875 44.579 1.00 0.00 H new ATOM 0 HG2 PRO A 46 45.453 29.190 46.683 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.765 30.010 45.295 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.440 27.335 45.219 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.476 28.342 43.785 1.00 0.00 H new ATOM 718 N LEU A 47 49.510 29.494 47.277 1.00 0.00 N ATOM 719 CA LEU A 47 50.188 29.243 48.555 1.00 0.00 C ATOM 720 C LEU A 47 50.408 30.511 49.394 1.00 0.00 C ATOM 721 O LEU A 47 50.477 30.419 50.619 1.00 0.00 O ATOM 722 CB LEU A 47 51.532 28.547 48.266 1.00 0.00 C ATOM 723 CG LEU A 47 51.429 27.106 47.749 1.00 0.00 C ATOM 724 CD1 LEU A 47 52.832 26.593 47.434 1.00 0.00 C ATOM 725 CD2 LEU A 47 50.785 26.167 48.769 1.00 0.00 C ATOM 0 H LEU A 47 49.909 30.277 46.759 1.00 0.00 H new ATOM 0 HA LEU A 47 49.539 28.605 49.155 1.00 0.00 H new ATOM 0 HB2 LEU A 47 52.079 29.140 47.533 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.125 28.545 49.181 1.00 0.00 H new ATOM 0 HG LEU A 47 50.799 27.118 46.859 1.00 0.00 H new ATOM 0 HD11 LEU A 47 52.771 25.569 47.066 1.00 0.00 H new ATOM 0 HD12 LEU A 47 53.288 27.226 46.673 1.00 0.00 H new ATOM 0 HD13 LEU A 47 53.440 26.617 48.338 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.735 25.160 48.356 1.00 0.00 H new ATOM 0 HD22 LEU A 47 51.382 26.156 49.681 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.778 26.515 48.999 1.00 0.00 H new ATOM 737 N PHE A 48 50.498 31.690 48.764 1.00 0.00 N ATOM 738 CA PHE A 48 50.816 32.940 49.473 1.00 0.00 C ATOM 739 C PHE A 48 49.846 34.065 49.115 1.00 0.00 C ATOM 740 O PHE A 48 49.733 34.460 47.957 1.00 0.00 O ATOM 741 CB PHE A 48 52.273 33.343 49.203 1.00 0.00 C ATOM 742 CG PHE A 48 53.268 32.355 49.776 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.698 31.255 49.010 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.693 32.488 51.109 1.00 0.00 C ATOM 745 CE1 PHE A 48 54.508 30.263 49.589 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.515 31.504 51.681 1.00 0.00 C ATOM 747 CZ PHE A 48 54.907 30.381 50.930 1.00 0.00 C ATOM 0 H PHE A 48 50.355 31.806 47.761 1.00 0.00 H new ATOM 0 HA PHE A 48 50.699 32.761 50.542 1.00 0.00 H new ATOM 0 HB2 PHE A 48 52.429 33.427 48.128 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.458 34.328 49.630 1.00 0.00 H new ATOM 0 HD1 PHE A 48 53.404 31.173 47.974 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.388 33.345 51.692 1.00 0.00 H new ATOM 0 HE1 PHE A 48 54.823 29.412 49.004 1.00 0.00 H new ATOM 0 HE2 PHE A 48 54.848 31.610 52.703 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.514 29.611 51.384 1.00 0.00 H new ATOM 757 N SER A 49 49.159 34.636 50.104 1.00 0.00 N ATOM 758 CA SER A 49 48.291 35.785 49.906 1.00 0.00 C ATOM 759 C SER A 49 49.117 37.069 49.981 1.00 0.00 C ATOM 760 O SER A 49 49.855 37.315 50.934 1.00 0.00 O ATOM 761 CB SER A 49 47.116 35.763 50.889 1.00 0.00 C ATOM 762 OG SER A 49 47.496 35.357 52.193 1.00 0.00 O ATOM 0 H SER A 49 49.193 34.308 51.069 1.00 0.00 H new ATOM 0 HA SER A 49 47.846 35.743 48.912 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.671 36.757 50.938 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.347 35.088 50.513 1.00 0.00 H new ATOM 0 HG SER A 49 46.711 35.362 52.779 1.00 0.00 H new ATOM 768 N SER A 50 48.929 37.938 48.989 1.00 0.00 N ATOM 769 CA SER A 50 49.527 39.284 48.919 1.00 0.00 C ATOM 770 C SER A 50 49.021 40.202 50.029 1.00 0.00 C ATOM 771 O SER A 50 49.535 41.280 50.291 1.00 0.00 O ATOM 772 CB SER A 50 49.209 39.924 47.574 1.00 0.00 C ATOM 773 OG SER A 50 50.326 40.651 47.111 1.00 0.00 O ATOM 0 H SER A 50 48.340 37.725 48.184 1.00 0.00 H new ATOM 0 HA SER A 50 50.603 39.160 49.042 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.940 39.155 46.850 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.348 40.586 47.671 1.00 0.00 H new ATOM 0 HG SER A 50 50.115 41.059 46.245 1.00 0.00 H new ATOM 779 N GLU A 51 48.006 39.745 50.741 1.00 0.00 N ATOM 780 CA GLU A 51 47.552 40.313 51.983 1.00 0.00 C ATOM 781 C GLU A 51 48.623 40.360 53.080 1.00 0.00 C ATOM 782 O GLU A 51 48.672 41.266 53.908 1.00 0.00 O ATOM 783 CB GLU A 51 46.399 39.411 52.414 1.00 0.00 C ATOM 784 CG GLU A 51 45.253 40.267 52.873 1.00 0.00 C ATOM 785 CD GLU A 51 44.249 39.500 53.733 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.684 38.931 54.766 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.056 39.498 53.339 1.00 0.00 O ATOM 0 H GLU A 51 47.458 38.935 50.452 1.00 0.00 H new ATOM 0 HA GLU A 51 47.270 41.356 51.836 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.087 38.777 51.584 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.720 38.749 53.218 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.641 41.112 53.442 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.741 40.677 52.003 1.00 0.00 H new ATOM 794 N LYS A 52 49.504 39.361 53.068 1.00 0.00 N ATOM 795 CA LYS A 52 50.712 39.273 53.884 1.00 0.00 C ATOM 796 C LYS A 52 51.900 40.035 53.284 1.00 0.00 C ATOM 797 O LYS A 52 52.984 39.968 53.862 1.00 0.00 O ATOM 798 CB LYS A 52 51.064 37.786 54.096 1.00 0.00 C ATOM 799 CG LYS A 52 49.928 36.891 54.620 1.00 0.00 C ATOM 800 CD LYS A 52 49.107 37.445 55.805 1.00 0.00 C ATOM 801 CE LYS A 52 47.689 37.815 55.359 1.00 0.00 C ATOM 802 NZ LYS A 52 46.733 38.112 56.452 1.00 0.00 N ATOM 0 H LYS A 52 49.388 38.551 52.458 1.00 0.00 H new ATOM 0 HA LYS A 52 50.505 39.752 54.841 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.413 37.377 53.148 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.898 37.727 54.795 1.00 0.00 H new ATOM 0 HG2 LYS A 52 49.244 36.689 53.795 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.357 35.935 54.919 1.00 0.00 H new ATOM 0 HD2 LYS A 52 49.060 36.701 56.600 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.604 38.323 56.218 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.748 38.685 54.705 1.00 0.00 H new ATOM 0 HE3 LYS A 52 47.289 36.995 54.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 45.836 38.448 56.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.561 37.249 57.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.131 38.847 57.071 1.00 0.00 H new ATOM 816 N LYS A 53 51.757 40.703 52.127 1.00 0.00 N ATOM 817 CA LYS A 53 52.920 41.258 51.391 1.00 0.00 C ATOM 818 C LYS A 53 53.590 42.361 52.217 1.00 0.00 C ATOM 819 O LYS A 53 52.981 43.383 52.516 1.00 0.00 O ATOM 820 CB LYS A 53 52.578 41.654 49.938 1.00 0.00 C ATOM 821 CG LYS A 53 53.691 41.538 48.874 1.00 0.00 C ATOM 822 CD LYS A 53 54.499 42.813 48.591 1.00 0.00 C ATOM 823 CE LYS A 53 55.401 43.219 49.755 1.00 0.00 C ATOM 824 NZ LYS A 53 56.401 44.255 49.410 1.00 0.00 N ATOM 0 H LYS A 53 50.857 40.874 51.679 1.00 0.00 H new ATOM 0 HA LYS A 53 53.663 40.470 51.268 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.740 41.038 49.613 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.230 42.687 49.946 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.384 40.757 49.187 1.00 0.00 H new ATOM 0 HG3 LYS A 53 53.238 41.206 47.940 1.00 0.00 H new ATOM 0 HD2 LYS A 53 55.110 42.659 47.702 1.00 0.00 H new ATOM 0 HD3 LYS A 53 53.812 43.630 48.369 1.00 0.00 H new ATOM 0 HE2 LYS A 53 54.780 43.586 50.572 1.00 0.00 H new ATOM 0 HE3 LYS A 53 55.921 42.335 50.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 56.660 44.786 50.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 57.249 43.801 49.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 55.998 44.906 48.707 1.00 0.00 H new ATOM 838 N TYR A 54 54.851 42.145 52.592 1.00 0.00 N ATOM 839 CA TYR A 54 55.520 42.927 53.642 1.00 0.00 C ATOM 840 C TYR A 54 55.731 44.412 53.279 1.00 0.00 C ATOM 841 O TYR A 54 56.208 44.752 52.192 1.00 0.00 O ATOM 842 CB TYR A 54 56.833 42.274 54.088 1.00 0.00 C ATOM 843 CG TYR A 54 57.032 42.308 55.596 1.00 0.00 C ATOM 844 CD1 TYR A 54 57.307 43.514 56.270 1.00 0.00 C ATOM 845 CD2 TYR A 54 56.879 41.123 56.337 1.00 0.00 C ATOM 846 CE1 TYR A 54 57.376 43.534 57.677 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.000 41.125 57.739 1.00 0.00 C ATOM 848 CZ TYR A 54 57.231 42.341 58.415 1.00 0.00 C ATOM 849 OH TYR A 54 57.361 42.365 59.766 1.00 0.00 O ATOM 0 H TYR A 54 55.441 41.423 52.178 1.00 0.00 H new ATOM 0 HA TYR A 54 54.830 42.921 54.486 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.851 41.239 53.748 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.668 42.783 53.605 1.00 0.00 H new ATOM 0 HD1 TYR A 54 57.465 44.423 55.708 1.00 0.00 H new ATOM 0 HD2 TYR A 54 56.665 40.198 55.823 1.00 0.00 H new ATOM 0 HE1 TYR A 54 57.541 44.468 58.193 1.00 0.00 H new ATOM 0 HE2 TYR A 54 56.917 40.202 58.293 1.00 0.00 H new ATOM 0 HH TYR A 54 57.231 41.462 60.123 1.00 0.00 H new ATOM 933 N PRO A 61 59.455 41.569 46.765 1.00 0.00 N ATOM 934 CA PRO A 61 58.458 40.530 47.002 1.00 0.00 C ATOM 935 C PRO A 61 58.766 39.728 48.278 1.00 0.00 C ATOM 936 O PRO A 61 59.783 39.047 48.410 1.00 0.00 O ATOM 937 CB PRO A 61 58.443 39.704 45.716 1.00 0.00 C ATOM 938 CG PRO A 61 59.884 39.797 45.220 1.00 0.00 C ATOM 939 CD PRO A 61 60.285 41.216 45.616 1.00 0.00 C ATOM 0 HA PRO A 61 57.463 40.928 47.200 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.149 38.672 45.905 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.740 40.108 44.987 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.523 39.050 45.690 1.00 0.00 H new ATOM 0 HG3 PRO A 61 59.952 39.643 44.143 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.344 41.264 45.871 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.124 41.910 44.791 1.00 0.00 H new ATOM 947 N SER A 62 57.874 39.852 49.259 1.00 0.00 N ATOM 948 CA SER A 62 58.086 39.460 50.650 1.00 0.00 C ATOM 949 C SER A 62 56.752 39.236 51.369 1.00 0.00 C ATOM 950 O SER A 62 55.771 39.876 51.004 1.00 0.00 O ATOM 951 CB SER A 62 58.856 40.582 51.353 1.00 0.00 C ATOM 952 OG SER A 62 58.362 41.872 51.010 1.00 0.00 O ATOM 0 H SER A 62 56.946 40.244 49.099 1.00 0.00 H new ATOM 0 HA SER A 62 58.647 38.526 50.676 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.789 40.445 52.432 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.911 40.517 51.088 1.00 0.00 H new ATOM 0 HG SER A 62 58.880 42.557 51.482 1.00 0.00 H new ATOM 958 N PHE A 63 56.689 38.396 52.408 1.00 0.00 N ATOM 959 CA PHE A 63 55.492 37.997 53.135 1.00 0.00 C ATOM 960 C PHE A 63 55.791 37.982 54.637 1.00 0.00 C ATOM 961 O PHE A 63 56.906 37.745 55.099 1.00 0.00 O ATOM 962 CB PHE A 63 54.948 36.637 52.660 1.00 0.00 C ATOM 963 CG PHE A 63 54.700 36.513 51.166 1.00 0.00 C ATOM 964 CD1 PHE A 63 53.791 37.372 50.519 1.00 0.00 C ATOM 965 CD2 PHE A 63 55.371 35.524 50.421 1.00 0.00 C ATOM 966 CE1 PHE A 63 53.584 37.270 49.132 1.00 0.00 C ATOM 967 CE2 PHE A 63 55.156 35.414 49.036 1.00 0.00 C ATOM 968 CZ PHE A 63 54.273 36.294 48.389 1.00 0.00 C ATOM 0 H PHE A 63 57.528 37.952 52.782 1.00 0.00 H new ATOM 0 HA PHE A 63 54.709 38.727 52.931 1.00 0.00 H new ATOM 0 HB2 PHE A 63 55.652 35.860 52.959 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.013 36.438 53.183 1.00 0.00 H new ATOM 0 HD1 PHE A 63 53.251 38.112 51.090 1.00 0.00 H new ATOM 0 HD2 PHE A 63 56.053 34.848 50.915 1.00 0.00 H new ATOM 0 HE1 PHE A 63 52.897 37.940 48.637 1.00 0.00 H new ATOM 0 HE2 PHE A 63 55.670 34.652 48.469 1.00 0.00 H new ATOM 0 HZ PHE A 63 54.123 36.221 47.322 1.00 0.00 H new ATOM 978 N SER A 64 54.757 38.281 55.395 1.00 0.00 N ATOM 979 CA SER A 64 54.685 38.137 56.857 1.00 0.00 C ATOM 980 C SER A 64 54.302 36.723 57.315 1.00 0.00 C ATOM 981 O SER A 64 54.686 36.316 58.406 1.00 0.00 O ATOM 982 CB SER A 64 53.702 39.161 57.432 1.00 0.00 C ATOM 983 OG SER A 64 52.406 38.948 56.903 1.00 0.00 O ATOM 0 H SER A 64 53.893 38.651 55.000 1.00 0.00 H new ATOM 0 HA SER A 64 55.689 38.321 57.239 1.00 0.00 H new ATOM 0 HB2 SER A 64 53.676 39.080 58.519 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.038 40.171 57.195 1.00 0.00 H new ATOM 0 HG SER A 64 51.787 39.608 57.279 1.00 0.00 H new ATOM 989 N GLU A 65 53.588 35.955 56.485 1.00 0.00 N ATOM 990 CA GLU A 65 53.195 34.563 56.747 1.00 0.00 C ATOM 991 C GLU A 65 52.974 33.771 55.452 1.00 0.00 C ATOM 992 O GLU A 65 52.684 34.332 54.395 1.00 0.00 O ATOM 993 CB GLU A 65 51.896 34.474 57.564 1.00 0.00 C ATOM 994 CG GLU A 65 52.060 34.687 59.072 1.00 0.00 C ATOM 995 CD GLU A 65 50.988 33.905 59.840 1.00 0.00 C ATOM 996 OE1 GLU A 65 51.121 32.664 59.984 1.00 0.00 O ATOM 997 OE2 GLU A 65 49.974 34.487 60.276 1.00 0.00 O ATOM 0 H GLU A 65 53.256 36.295 55.582 1.00 0.00 H new ATOM 0 HA GLU A 65 54.024 34.135 57.311 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.194 35.215 57.182 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.447 33.495 57.398 1.00 0.00 H new ATOM 0 HG2 GLU A 65 53.052 34.362 59.386 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.983 35.749 59.307 1.00 0.00 H new ATOM 1004 N ALA A 66 52.971 32.444 55.586 1.00 0.00 N ATOM 1005 CA ALA A 66 52.455 31.505 54.587 1.00 0.00 C ATOM 1006 C ALA A 66 50.923 31.369 54.718 1.00 0.00 C ATOM 1007 O ALA A 66 50.390 30.271 54.917 1.00 0.00 O ATOM 1008 CB ALA A 66 53.211 30.175 54.727 1.00 0.00 C ATOM 0 H ALA A 66 53.338 31.979 56.416 1.00 0.00 H new ATOM 0 HA ALA A 66 52.630 31.874 53.576 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.838 29.465 53.989 1.00 0.00 H new ATOM 0 HB2 ALA A 66 54.276 30.343 54.563 1.00 0.00 H new ATOM 0 HB3 ALA A 66 53.057 29.773 55.728 1.00 0.00 H new ATOM 1162 N GLY A 78 50.989 21.022 51.032 1.00 0.00 N ATOM 1163 CA GLY A 78 51.822 20.577 49.913 1.00 0.00 C ATOM 1164 C GLY A 78 53.131 21.364 49.794 1.00 0.00 C ATOM 1165 O GLY A 78 53.778 21.308 48.751 1.00 0.00 O ATOM 0 HA2 GLY A 78 52.050 19.518 50.035 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.259 20.676 48.985 1.00 0.00 H new ATOM 1169 N ILE A 79 53.523 22.089 50.847 1.00 0.00 N ATOM 1170 CA ILE A 79 54.810 22.789 50.963 1.00 0.00 C ATOM 1171 C ILE A 79 55.904 21.896 51.566 1.00 0.00 C ATOM 1172 O ILE A 79 55.632 20.852 52.156 1.00 0.00 O ATOM 1173 CB ILE A 79 54.654 24.108 51.758 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.302 23.817 53.233 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.670 25.040 51.033 1.00 0.00 C ATOM 1176 CD1 ILE A 79 53.995 25.056 54.083 1.00 0.00 C ATOM 0 H ILE A 79 52.934 22.210 51.671 1.00 0.00 H new ATOM 0 HA ILE A 79 55.132 23.040 49.953 1.00 0.00 H new ATOM 0 HB ILE A 79 55.602 24.644 51.795 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.438 23.153 53.260 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.132 23.278 53.690 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.564 25.967 51.597 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.048 25.263 50.035 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.699 24.552 50.952 1.00 0.00 H new ATOM 0 HD11 ILE A 79 53.760 24.749 55.102 1.00 0.00 H new ATOM 0 HD12 ILE A 79 54.864 25.714 54.094 1.00 0.00 H new ATOM 0 HD13 ILE A 79 53.143 25.587 53.658 1.00 0.00 H new ATOM 1188 N LEU A 80 57.149 22.354 51.470 1.00 0.00 N ATOM 1189 CA LEU A 80 58.320 21.811 52.149 1.00 0.00 C ATOM 1190 C LEU A 80 59.298 22.933 52.517 1.00 0.00 C ATOM 1191 O LEU A 80 59.113 24.098 52.174 1.00 0.00 O ATOM 1192 CB LEU A 80 59.004 20.742 51.292 1.00 0.00 C ATOM 1193 CG LEU A 80 59.468 19.573 52.165 1.00 0.00 C ATOM 1194 CD1 LEU A 80 58.369 18.531 52.370 1.00 0.00 C ATOM 1195 CD2 LEU A 80 60.686 18.908 51.548 1.00 0.00 C ATOM 0 H LEU A 80 57.380 23.157 50.885 1.00 0.00 H new ATOM 0 HA LEU A 80 57.989 21.334 53.072 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.314 20.382 50.529 1.00 0.00 H new ATOM 0 HB3 LEU A 80 59.857 21.176 50.771 1.00 0.00 H new ATOM 0 HG LEU A 80 59.723 19.986 53.141 1.00 0.00 H new ATOM 0 HD11 LEU A 80 58.747 17.722 52.995 1.00 0.00 H new ATOM 0 HD12 LEU A 80 57.512 18.997 52.857 1.00 0.00 H new ATOM 0 HD13 LEU A 80 58.063 18.130 51.404 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.006 18.078 52.178 1.00 0.00 H new ATOM 0 HD22 LEU A 80 60.433 18.533 50.556 1.00 0.00 H new ATOM 0 HD23 LEU A 80 61.495 19.634 51.466 1.00 0.00 H new ATOM 1207 N ARG A 81 60.348 22.588 53.258 1.00 0.00 N ATOM 1208 CA ARG A 81 61.396 23.503 53.681 1.00 0.00 C ATOM 1209 C ARG A 81 62.693 22.795 54.062 1.00 0.00 C ATOM 1210 O ARG A 81 62.708 21.589 54.290 1.00 0.00 O ATOM 1211 CB ARG A 81 60.874 24.393 54.811 1.00 0.00 C ATOM 1212 CG ARG A 81 60.272 23.741 56.054 1.00 0.00 C ATOM 1213 CD ARG A 81 58.813 23.292 55.890 1.00 0.00 C ATOM 1214 NE ARG A 81 58.154 23.217 57.205 1.00 0.00 N ATOM 1215 CZ ARG A 81 57.066 23.850 57.606 1.00 0.00 C ATOM 1216 NH1 ARG A 81 56.273 24.476 56.785 1.00 0.00 N ATOM 1217 NH2 ARG A 81 56.761 23.877 58.864 1.00 0.00 N ATOM 0 H ARG A 81 60.494 21.634 53.589 1.00 0.00 H new ATOM 0 HA ARG A 81 61.655 24.129 52.827 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.699 25.025 55.139 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.117 25.052 54.387 1.00 0.00 H new ATOM 0 HG2 ARG A 81 60.877 22.876 56.325 1.00 0.00 H new ATOM 0 HG3 ARG A 81 60.332 24.445 56.884 1.00 0.00 H new ATOM 0 HD2 ARG A 81 58.279 23.992 55.247 1.00 0.00 H new ATOM 0 HD3 ARG A 81 58.777 22.319 55.401 1.00 0.00 H new ATOM 0 HE ARG A 81 58.591 22.601 57.890 1.00 0.00 H new ATOM 0 HH11 ARG A 81 56.481 24.491 55.787 1.00 0.00 H new ATOM 0 HH12 ARG A 81 55.443 24.951 57.140 1.00 0.00 H new ATOM 0 HH21 ARG A 81 57.361 23.410 59.544 1.00 0.00 H new ATOM 0 HH22 ARG A 81 55.921 24.365 59.175 1.00 0.00 H new ATOM 1231 N ARG A 82 63.770 23.577 54.123 1.00 0.00 N ATOM 1232 CA ARG A 82 65.123 23.187 54.516 1.00 0.00 C ATOM 1233 C ARG A 82 65.819 24.386 55.161 1.00 0.00 C ATOM 1234 O ARG A 82 66.010 25.425 54.539 1.00 0.00 O ATOM 1235 CB ARG A 82 65.895 22.679 53.290 1.00 0.00 C ATOM 1236 CG ARG A 82 67.127 21.883 53.736 1.00 0.00 C ATOM 1237 CD ARG A 82 66.813 20.403 53.991 1.00 0.00 C ATOM 1238 NE ARG A 82 68.014 19.709 54.486 1.00 0.00 N ATOM 1239 CZ ARG A 82 68.450 18.509 54.154 1.00 0.00 C ATOM 1240 NH1 ARG A 82 67.757 17.691 53.413 1.00 0.00 N ATOM 1241 NH2 ARG A 82 69.615 18.108 54.560 1.00 0.00 N ATOM 0 H ARG A 82 63.716 24.567 53.883 1.00 0.00 H new ATOM 0 HA ARG A 82 65.086 22.376 55.243 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.248 22.050 52.678 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.201 23.521 52.669 1.00 0.00 H new ATOM 0 HG2 ARG A 82 67.901 21.960 52.972 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.532 22.327 54.646 1.00 0.00 H new ATOM 0 HD2 ARG A 82 66.006 20.314 54.719 1.00 0.00 H new ATOM 0 HD3 ARG A 82 66.465 19.933 53.071 1.00 0.00 H new ATOM 0 HE ARG A 82 68.577 20.218 55.168 1.00 0.00 H new ATOM 0 HH11 ARG A 82 66.839 17.970 53.066 1.00 0.00 H new ATOM 0 HH12 ARG A 82 68.132 16.772 53.180 1.00 0.00 H new ATOM 0 HH21 ARG A 82 70.193 18.720 55.135 1.00 0.00 H new ATOM 0 HH22 ARG A 82 69.953 17.180 54.304 1.00 0.00 H new ATOM 1255 N LEU A 83 66.192 24.244 56.424 1.00 0.00 N ATOM 1256 CA LEU A 83 67.116 25.144 57.097 1.00 0.00 C ATOM 1257 C LEU A 83 68.554 24.889 56.629 1.00 0.00 C ATOM 1258 O LEU A 83 68.943 23.746 56.388 1.00 0.00 O ATOM 1259 CB LEU A 83 67.035 24.991 58.619 1.00 0.00 C ATOM 1260 CG LEU A 83 65.825 25.618 59.325 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.473 25.049 58.891 1.00 0.00 C ATOM 1262 CD2 LEU A 83 65.956 25.417 60.835 1.00 0.00 C ATOM 0 H LEU A 83 65.855 23.488 57.020 1.00 0.00 H new ATOM 0 HA LEU A 83 66.828 26.163 56.837 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.048 23.926 58.852 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.938 25.423 59.050 1.00 0.00 H new ATOM 0 HG LEU A 83 65.836 26.671 59.043 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.675 25.549 59.440 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.336 25.212 57.822 1.00 0.00 H new ATOM 0 HD13 LEU A 83 64.444 23.980 59.101 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.097 25.862 61.337 1.00 0.00 H new ATOM 0 HD22 LEU A 83 65.994 24.351 61.058 1.00 0.00 H new ATOM 0 HD23 LEU A 83 66.870 25.895 61.188 1.00 0.00 H new ATOM 1274 N ASP A 84 69.344 25.957 56.596 1.00 0.00 N ATOM 1275 CA ASP A 84 70.743 25.959 56.136 1.00 0.00 C ATOM 1276 C ASP A 84 71.667 26.633 57.166 1.00 0.00 C ATOM 1277 O ASP A 84 72.434 27.558 56.900 1.00 0.00 O ATOM 1278 CB ASP A 84 70.845 26.539 54.714 1.00 0.00 C ATOM 1279 CG ASP A 84 72.146 26.129 54.014 1.00 0.00 C ATOM 1280 OD1 ASP A 84 72.561 24.949 54.145 1.00 0.00 O ATOM 1281 OD2 ASP A 84 72.714 26.944 53.257 1.00 0.00 O ATOM 0 H ASP A 84 69.025 26.878 56.897 1.00 0.00 H new ATOM 0 HA ASP A 84 71.101 24.932 56.063 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.994 26.200 54.123 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.787 27.626 54.762 1.00 0.00 H new ATOM 1286 N THR A 85 71.567 26.174 58.412 1.00 0.00 N ATOM 1287 CA THR A 85 72.285 26.674 59.595 1.00 0.00 C ATOM 1288 C THR A 85 73.722 26.125 59.632 1.00 0.00 C ATOM 1289 O THR A 85 74.194 25.599 60.641 1.00 0.00 O ATOM 1290 CB THR A 85 71.478 26.362 60.870 1.00 0.00 C ATOM 1291 OG1 THR A 85 71.230 24.980 60.977 1.00 0.00 O ATOM 1292 CG2 THR A 85 70.102 27.029 60.854 1.00 0.00 C ATOM 0 H THR A 85 70.947 25.397 58.642 1.00 0.00 H new ATOM 0 HA THR A 85 72.379 27.758 59.538 1.00 0.00 H new ATOM 0 HB THR A 85 72.079 26.735 61.699 1.00 0.00 H new ATOM 0 HG1 THR A 85 70.718 24.802 61.793 1.00 0.00 H new ATOM 0 HG21 THR A 85 69.567 26.782 61.771 1.00 0.00 H new ATOM 0 HG22 THR A 85 70.222 28.110 60.784 1.00 0.00 H new ATOM 0 HG23 THR A 85 69.534 26.671 59.996 1.00 0.00 H new ATOM 1300 N SER A 86 74.414 26.221 58.492 1.00 0.00 N ATOM 1301 CA SER A 86 75.761 25.666 58.265 1.00 0.00 C ATOM 1302 C SER A 86 76.727 26.590 57.520 1.00 0.00 C ATOM 1303 O SER A 86 77.906 26.281 57.366 1.00 0.00 O ATOM 1304 CB SER A 86 75.669 24.301 57.567 1.00 0.00 C ATOM 1305 OG SER A 86 76.622 23.421 58.132 1.00 0.00 O ATOM 0 H SER A 86 74.044 26.702 57.672 1.00 0.00 H new ATOM 0 HA SER A 86 76.193 25.551 59.259 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.666 23.889 57.679 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.850 24.413 56.498 1.00 0.00 H new ATOM 0 HG SER A 86 76.564 22.549 57.689 1.00 0.00 H new ATOM 1311 N LEU A 87 76.256 27.775 57.134 1.00 0.00 N ATOM 1312 CA LEU A 87 77.064 28.833 56.504 1.00 0.00 C ATOM 1313 C LEU A 87 77.690 29.801 57.524 1.00 0.00 C ATOM 1314 O LEU A 87 78.137 30.893 57.181 1.00 0.00 O ATOM 1315 CB LEU A 87 76.228 29.566 55.438 1.00 0.00 C ATOM 1316 CG LEU A 87 75.654 28.692 54.310 1.00 0.00 C ATOM 1317 CD1 LEU A 87 74.874 29.578 53.339 1.00 0.00 C ATOM 1318 CD2 LEU A 87 76.739 27.951 53.523 1.00 0.00 C ATOM 0 H LEU A 87 75.278 28.038 57.251 1.00 0.00 H new ATOM 0 HA LEU A 87 77.911 28.355 56.011 1.00 0.00 H new ATOM 0 HB2 LEU A 87 75.400 30.069 55.937 1.00 0.00 H new ATOM 0 HB3 LEU A 87 76.848 30.342 54.989 1.00 0.00 H new ATOM 0 HG LEU A 87 75.012 27.946 54.777 1.00 0.00 H new ATOM 0 HD11 LEU A 87 74.464 28.965 52.536 1.00 0.00 H new ATOM 0 HD12 LEU A 87 74.060 30.072 53.870 1.00 0.00 H new ATOM 0 HD13 LEU A 87 75.541 30.330 52.917 1.00 0.00 H new ATOM 0 HD21 LEU A 87 76.275 27.351 52.741 1.00 0.00 H new ATOM 0 HD22 LEU A 87 77.418 28.674 53.071 1.00 0.00 H new ATOM 0 HD23 LEU A 87 77.297 27.301 54.197 1.00 0.00 H new ATOM 1330 N GLY A 88 77.619 29.445 58.807 1.00 0.00 N ATOM 1331 CA GLY A 88 77.892 30.333 59.952 1.00 0.00 C ATOM 1332 C GLY A 88 76.798 31.384 60.202 1.00 0.00 C ATOM 1333 O GLY A 88 76.793 32.055 61.229 1.00 0.00 O ATOM 0 H GLY A 88 77.362 28.501 59.094 1.00 0.00 H new ATOM 0 HA2 GLY A 88 78.010 29.726 60.850 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.841 30.843 59.785 1.00 0.00 H new ATOM 1337 N CYS A 89 75.852 31.500 59.269 1.00 0.00 N ATOM 1338 CA CYS A 89 74.756 32.461 59.258 1.00 0.00 C ATOM 1339 C CYS A 89 73.440 31.685 59.059 1.00 0.00 C ATOM 1340 O CYS A 89 73.250 31.104 57.989 1.00 0.00 O ATOM 1341 CB CYS A 89 75.022 33.463 58.128 1.00 0.00 C ATOM 1342 SG CYS A 89 73.755 34.760 58.134 1.00 0.00 S ATOM 0 H CYS A 89 75.832 30.888 58.454 1.00 0.00 H new ATOM 0 HA CYS A 89 74.679 33.016 60.193 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.009 33.908 58.251 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.022 32.948 57.167 1.00 0.00 H new ATOM 0 HG CYS A 89 73.993 35.603 57.174 1.00 0.00 H new ATOM 1348 N PRO A 90 72.561 31.580 60.074 1.00 0.00 N ATOM 1349 CA PRO A 90 71.370 30.746 59.991 1.00 0.00 C ATOM 1350 C PRO A 90 70.306 31.321 59.053 1.00 0.00 C ATOM 1351 O PRO A 90 69.832 32.444 59.226 1.00 0.00 O ATOM 1352 CB PRO A 90 70.854 30.602 61.423 1.00 0.00 C ATOM 1353 CG PRO A 90 71.384 31.853 62.120 1.00 0.00 C ATOM 1354 CD PRO A 90 72.738 32.045 61.439 1.00 0.00 C ATOM 0 HA PRO A 90 71.614 29.776 59.558 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.765 30.556 61.455 1.00 0.00 H new ATOM 0 HB3 PRO A 90 71.226 29.692 61.894 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.728 32.711 61.973 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.485 31.709 63.196 1.00 0.00 H new ATOM 0 HD2 PRO A 90 73.042 33.092 61.460 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.516 31.477 61.948 1.00 0.00 H new ATOM 1362 N ARG A 91 69.879 30.488 58.104 1.00 0.00 N ATOM 1363 CA ARG A 91 68.791 30.744 57.149 1.00 0.00 C ATOM 1364 C ARG A 91 67.733 29.640 57.282 1.00 0.00 C ATOM 1365 O ARG A 91 68.055 28.490 57.591 1.00 0.00 O ATOM 1366 CB ARG A 91 69.311 30.775 55.700 1.00 0.00 C ATOM 1367 CG ARG A 91 70.519 31.686 55.422 1.00 0.00 C ATOM 1368 CD ARG A 91 70.276 33.127 55.883 1.00 0.00 C ATOM 1369 NE ARG A 91 71.242 34.061 55.270 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.093 35.348 55.001 1.00 0.00 C ATOM 1371 NH1 ARG A 91 69.960 35.982 55.060 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.109 36.071 54.649 1.00 0.00 N ATOM 0 H ARG A 91 70.301 29.569 57.970 1.00 0.00 H new ATOM 0 HA ARG A 91 68.358 31.718 57.377 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.577 29.758 55.412 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.493 31.086 55.051 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.397 31.287 55.930 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.738 31.680 54.354 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.261 33.428 55.622 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.355 33.181 56.969 1.00 0.00 H new ATOM 0 HE ARG A 91 72.146 33.660 55.020 1.00 0.00 H new ATOM 0 HH11 ARG A 91 69.111 35.485 55.328 1.00 0.00 H new ATOM 0 HH12 ARG A 91 69.920 36.977 54.838 1.00 0.00 H new ATOM 0 HH21 ARG A 91 73.035 35.649 54.577 1.00 0.00 H new ATOM 0 HH22 ARG A 91 71.983 37.062 54.444 1.00 0.00 H new ATOM 1386 N MET A 92 66.490 29.977 56.971 1.00 0.00 N ATOM 1387 CA MET A 92 65.379 29.079 56.716 1.00 0.00 C ATOM 1388 C MET A 92 65.044 29.243 55.233 1.00 0.00 C ATOM 1389 O MET A 92 64.858 30.366 54.777 1.00 0.00 O ATOM 1390 CB MET A 92 64.194 29.495 57.588 1.00 0.00 C ATOM 1391 CG MET A 92 64.127 28.795 58.944 1.00 0.00 C ATOM 1392 SD MET A 92 62.956 29.514 60.135 1.00 0.00 S ATOM 1393 CE MET A 92 61.375 29.143 59.325 1.00 0.00 C ATOM 0 H MET A 92 66.214 30.955 56.885 1.00 0.00 H new ATOM 0 HA MET A 92 65.617 28.041 56.949 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.240 30.572 57.751 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.271 29.294 57.044 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.859 27.751 58.782 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.122 28.804 59.388 1.00 0.00 H new ATOM 0 HE1 MET A 92 60.556 29.522 59.935 1.00 0.00 H new ATOM 0 HE2 MET A 92 61.348 29.619 58.345 1.00 0.00 H new ATOM 0 HE3 MET A 92 61.271 28.064 59.208 1.00 0.00 H new ATOM 1403 N GLU A 93 64.959 28.172 54.456 1.00 0.00 N ATOM 1404 CA GLU A 93 64.480 28.258 53.067 1.00 0.00 C ATOM 1405 C GLU A 93 63.303 27.310 52.807 1.00 0.00 C ATOM 1406 O GLU A 93 63.184 26.253 53.429 1.00 0.00 O ATOM 1407 CB GLU A 93 65.612 28.106 52.050 1.00 0.00 C ATOM 1408 CG GLU A 93 66.828 29.017 52.286 1.00 0.00 C ATOM 1409 CD GLU A 93 67.671 29.147 51.012 1.00 0.00 C ATOM 1410 OE1 GLU A 93 68.038 28.113 50.408 1.00 0.00 O ATOM 1411 OE2 GLU A 93 67.918 30.292 50.568 1.00 0.00 O ATOM 0 H GLU A 93 65.213 27.231 54.756 1.00 0.00 H new ATOM 0 HA GLU A 93 64.092 29.267 52.925 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.948 27.069 52.056 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.215 28.307 51.055 1.00 0.00 H new ATOM 0 HG2 GLU A 93 66.492 30.003 52.606 1.00 0.00 H new ATOM 0 HG3 GLU A 93 67.440 28.612 53.092 1.00 0.00 H new ATOM 1418 N VAL A 94 62.363 27.738 51.960 1.00 0.00 N ATOM 1419 CA VAL A 94 60.980 27.237 51.953 1.00 0.00 C ATOM 1420 C VAL A 94 60.387 27.182 50.537 1.00 0.00 C ATOM 1421 O VAL A 94 60.600 28.059 49.700 1.00 0.00 O ATOM 1422 CB VAL A 94 60.091 28.061 52.909 1.00 0.00 C ATOM 1423 CG1 VAL A 94 60.610 28.128 54.356 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.934 29.516 52.473 1.00 0.00 C ATOM 0 H VAL A 94 62.540 28.450 51.251 1.00 0.00 H new ATOM 0 HA VAL A 94 61.007 26.210 52.318 1.00 0.00 H new ATOM 0 HB VAL A 94 59.145 27.521 52.867 1.00 0.00 H new ATOM 0 HG11 VAL A 94 59.927 28.725 54.960 1.00 0.00 H new ATOM 0 HG12 VAL A 94 60.672 27.121 54.767 1.00 0.00 H new ATOM 0 HG13 VAL A 94 61.599 28.586 54.367 1.00 0.00 H new ATOM 0 HG21 VAL A 94 59.299 30.043 53.185 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.913 29.993 52.439 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.478 29.552 51.484 1.00 0.00 H new ATOM 1434 N VAL A 95 59.657 26.115 50.234 1.00 0.00 N ATOM 1435 CA VAL A 95 59.255 25.741 48.863 1.00 0.00 C ATOM 1436 C VAL A 95 57.920 25.018 48.865 1.00 0.00 C ATOM 1437 O VAL A 95 57.360 24.678 49.900 1.00 0.00 O ATOM 1438 CB VAL A 95 60.325 24.847 48.196 1.00 0.00 C ATOM 1439 CG1 VAL A 95 61.477 25.723 47.711 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.821 23.674 49.042 1.00 0.00 C ATOM 0 H VAL A 95 59.316 25.465 50.942 1.00 0.00 H new ATOM 0 HA VAL A 95 59.157 26.663 48.290 1.00 0.00 H new ATOM 0 HB VAL A 95 59.836 24.360 47.352 1.00 0.00 H new ATOM 0 HG11 VAL A 95 62.236 25.098 47.239 1.00 0.00 H new ATOM 0 HG12 VAL A 95 61.103 26.448 46.988 1.00 0.00 H new ATOM 0 HG13 VAL A 95 61.916 26.249 48.559 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.568 23.112 48.482 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.266 24.052 49.962 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.983 23.021 49.286 1.00 0.00 H new ATOM 1450 N CYS A 96 57.433 24.769 47.663 1.00 0.00 N ATOM 1451 CA CYS A 96 56.353 23.934 47.337 1.00 0.00 C ATOM 1452 C CYS A 96 56.949 22.560 46.995 1.00 0.00 C ATOM 1453 O CYS A 96 58.089 22.411 46.540 1.00 0.00 O ATOM 1454 CB CYS A 96 55.686 24.682 46.196 1.00 0.00 C ATOM 1455 SG CYS A 96 54.363 23.703 45.475 1.00 0.00 S ATOM 0 H CYS A 96 57.840 25.199 46.833 1.00 0.00 H new ATOM 0 HA CYS A 96 55.608 23.734 48.107 1.00 0.00 H new ATOM 0 HB2 CYS A 96 55.286 25.628 46.561 1.00 0.00 H new ATOM 0 HB3 CYS A 96 56.425 24.921 45.431 1.00 0.00 H new ATOM 0 HG CYS A 96 53.986 24.242 44.354 1.00 0.00 H new ATOM 1460 N LYS A 97 56.128 21.575 47.274 1.00 0.00 N ATOM 1461 CA LYS A 97 56.252 20.162 46.886 1.00 0.00 C ATOM 1462 C LYS A 97 55.204 19.736 45.843 1.00 0.00 C ATOM 1463 O LYS A 97 55.394 18.719 45.175 1.00 0.00 O ATOM 1464 CB LYS A 97 56.269 19.297 48.163 1.00 0.00 C ATOM 1465 CG LYS A 97 56.537 17.831 47.871 1.00 0.00 C ATOM 1466 CD LYS A 97 55.209 17.064 47.813 1.00 0.00 C ATOM 1467 CE LYS A 97 55.373 15.763 47.053 1.00 0.00 C ATOM 1468 NZ LYS A 97 55.725 15.979 45.630 1.00 0.00 N ATOM 0 H LYS A 97 55.283 21.739 47.822 1.00 0.00 H new ATOM 0 HA LYS A 97 57.198 20.007 46.367 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.033 19.674 48.843 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.312 19.393 48.675 1.00 0.00 H new ATOM 0 HG2 LYS A 97 57.068 17.730 46.924 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.179 17.408 48.644 1.00 0.00 H new ATOM 0 HD2 LYS A 97 54.858 16.858 48.824 1.00 0.00 H new ATOM 0 HD3 LYS A 97 54.449 17.679 47.331 1.00 0.00 H new ATOM 0 HE2 LYS A 97 56.149 15.163 47.529 1.00 0.00 H new ATOM 0 HE3 LYS A 97 54.447 15.192 47.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 55.210 15.297 45.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 55.465 16.946 45.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 56.748 15.845 45.501 1.00 0.00 H new ATOM 1482 N GLN A 98 54.121 20.491 45.675 1.00 0.00 N ATOM 1483 CA GLN A 98 53.136 20.304 44.610 1.00 0.00 C ATOM 1484 C GLN A 98 53.751 20.474 43.215 1.00 0.00 C ATOM 1485 O GLN A 98 53.516 19.664 42.310 1.00 0.00 O ATOM 1486 CB GLN A 98 51.958 21.277 44.733 1.00 0.00 C ATOM 1487 CG GLN A 98 51.312 21.333 46.109 1.00 0.00 C ATOM 1488 CD GLN A 98 50.051 22.175 46.018 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.079 23.397 46.022 1.00 0.00 O ATOM 1490 NE2 GLN A 98 48.910 21.558 45.801 1.00 0.00 N ATOM 0 H GLN A 98 53.897 21.272 46.292 1.00 0.00 H new ATOM 0 HA GLN A 98 52.778 19.281 44.728 1.00 0.00 H new ATOM 0 HB2 GLN A 98 52.303 22.277 44.469 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.198 20.999 44.003 1.00 0.00 H new ATOM 0 HG2 GLN A 98 51.072 20.328 46.455 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.003 21.763 46.834 1.00 0.00 H new ATOM 0 HE21 GLN A 98 48.874 20.539 45.795 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.061 22.099 45.638 1.00 0.00 H new ATOM 1499 N CYS A 99 54.553 21.523 43.084 1.00 0.00 N ATOM 1500 CA CYS A 99 55.339 21.888 41.928 1.00 0.00 C ATOM 1501 C CYS A 99 56.793 21.394 42.056 1.00 0.00 C ATOM 1502 O CYS A 99 57.429 21.094 41.047 1.00 0.00 O ATOM 1503 CB CYS A 99 55.208 23.407 41.758 1.00 0.00 C ATOM 1504 SG CYS A 99 54.888 24.368 43.263 1.00 0.00 S ATOM 0 H CYS A 99 54.675 22.188 43.847 1.00 0.00 H new ATOM 0 HA CYS A 99 54.972 21.401 41.025 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.127 23.780 41.305 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.402 23.602 41.051 1.00 0.00 H new ATOM 0 HG CYS A 99 55.100 23.623 44.307 1.00 0.00 H new ATOM 1509 N GLU A 100 57.293 21.293 43.290 1.00 0.00 N ATOM 1510 CA GLU A 100 58.711 21.371 43.613 1.00 0.00 C ATOM 1511 C GLU A 100 59.258 22.778 43.352 1.00 0.00 C ATOM 1512 O GLU A 100 59.227 23.306 42.241 1.00 0.00 O ATOM 1513 CB GLU A 100 59.563 20.275 42.952 1.00 0.00 C ATOM 1514 CG GLU A 100 60.924 20.181 43.640 1.00 0.00 C ATOM 1515 CD GLU A 100 61.946 19.441 42.784 1.00 0.00 C ATOM 1516 OE1 GLU A 100 62.285 19.929 41.679 1.00 0.00 O ATOM 1517 OE2 GLU A 100 62.484 18.404 43.251 1.00 0.00 O ATOM 0 H GLU A 100 56.703 21.151 44.110 1.00 0.00 H new ATOM 0 HA GLU A 100 58.792 21.173 44.682 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.048 19.316 43.015 1.00 0.00 H new ATOM 0 HB3 GLU A 100 59.697 20.497 41.893 1.00 0.00 H new ATOM 0 HG2 GLU A 100 61.291 21.184 43.857 1.00 0.00 H new ATOM 0 HG3 GLU A 100 60.813 19.669 44.596 1.00 0.00 H new ATOM 1524 N ALA A 101 59.844 23.330 44.411 1.00 0.00 N ATOM 1525 CA ALA A 101 60.639 24.550 44.435 1.00 0.00 C ATOM 1526 C ALA A 101 59.825 25.848 44.256 1.00 0.00 C ATOM 1527 O ALA A 101 59.777 26.423 43.171 1.00 0.00 O ATOM 1528 CB ALA A 101 61.853 24.403 43.503 1.00 0.00 C ATOM 0 H ALA A 101 59.770 22.907 45.336 1.00 0.00 H new ATOM 0 HA ALA A 101 61.028 24.676 45.446 1.00 0.00 H new ATOM 0 HB1 ALA A 101 62.443 25.319 43.526 1.00 0.00 H new ATOM 0 HB2 ALA A 101 62.468 23.567 43.836 1.00 0.00 H new ATOM 0 HB3 ALA A 101 61.510 24.218 42.485 1.00 0.00 H new ATOM 1534 N HIS A 102 59.279 26.370 45.369 1.00 0.00 N ATOM 1535 CA HIS A 102 58.697 27.723 45.415 1.00 0.00 C ATOM 1536 C HIS A 102 59.702 28.888 45.436 1.00 0.00 C ATOM 1537 O HIS A 102 59.350 30.047 45.242 1.00 0.00 O ATOM 1538 CB HIS A 102 57.560 27.887 46.434 1.00 0.00 C ATOM 1539 CG HIS A 102 56.402 28.730 45.960 1.00 0.00 C ATOM 1540 ND1 HIS A 102 55.461 28.379 45.014 1.00 0.00 N ATOM 1541 CD2 HIS A 102 55.997 29.924 46.492 1.00 0.00 C ATOM 1542 CE1 HIS A 102 54.532 29.345 44.972 1.00 0.00 C ATOM 1543 NE2 HIS A 102 54.810 30.313 45.863 1.00 0.00 N ATOM 0 H HIS A 102 59.229 25.869 46.256 1.00 0.00 H new ATOM 0 HA HIS A 102 58.230 27.805 44.434 1.00 0.00 H new ATOM 0 HB2 HIS A 102 57.186 26.899 46.702 1.00 0.00 H new ATOM 0 HB3 HIS A 102 57.967 28.331 47.343 1.00 0.00 H new ATOM 0 HD1 HIS A 102 55.470 27.532 44.446 1.00 0.00 H new ATOM 0 HD2 HIS A 102 56.509 30.474 47.268 1.00 0.00 H new ATOM 0 HE1 HIS A 102 53.677 29.346 44.312 1.00 0.00 H new ATOM 1551 N LEU A 103 60.962 28.549 45.715 1.00 0.00 N ATOM 1552 CA LEU A 103 62.102 29.452 45.958 1.00 0.00 C ATOM 1553 C LEU A 103 61.734 30.701 46.772 1.00 0.00 C ATOM 1554 O LEU A 103 61.998 31.859 46.425 1.00 0.00 O ATOM 1555 CB LEU A 103 62.913 29.734 44.693 1.00 0.00 C ATOM 1556 CG LEU A 103 63.665 28.549 44.068 1.00 0.00 C ATOM 1557 CD1 LEU A 103 64.018 27.388 45.006 1.00 0.00 C ATOM 1558 CD2 LEU A 103 62.955 28.015 42.826 1.00 0.00 C ATOM 0 H LEU A 103 61.238 27.569 45.783 1.00 0.00 H new ATOM 0 HA LEU A 103 62.784 28.907 46.611 1.00 0.00 H new ATOM 0 HB2 LEU A 103 62.237 30.141 43.941 1.00 0.00 H new ATOM 0 HB3 LEU A 103 63.640 30.513 44.923 1.00 0.00 H new ATOM 0 HG LEU A 103 64.623 28.993 43.797 1.00 0.00 H new ATOM 0 HD11 LEU A 103 64.546 26.616 44.446 1.00 0.00 H new ATOM 0 HD12 LEU A 103 64.656 27.752 45.812 1.00 0.00 H new ATOM 0 HD13 LEU A 103 63.104 26.970 45.428 1.00 0.00 H new ATOM 0 HD21 LEU A 103 63.520 27.178 42.416 1.00 0.00 H new ATOM 0 HD22 LEU A 103 61.954 27.679 43.095 1.00 0.00 H new ATOM 0 HD23 LEU A 103 62.884 28.806 42.079 1.00 0.00 H new ATOM 1570 N GLY A 104 61.105 30.383 47.891 1.00 0.00 N ATOM 1571 CA GLY A 104 60.916 31.239 49.033 1.00 0.00 C ATOM 1572 C GLY A 104 62.032 30.994 50.038 1.00 0.00 C ATOM 1573 O GLY A 104 62.684 29.949 50.092 1.00 0.00 O ATOM 0 H GLY A 104 60.690 29.461 48.027 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.914 32.284 48.722 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.948 31.042 49.493 1.00 0.00 H new ATOM 1577 N HIS A 105 62.259 31.998 50.854 1.00 0.00 N ATOM 1578 CA HIS A 105 63.272 31.990 51.889 1.00 0.00 C ATOM 1579 C HIS A 105 62.802 32.843 53.064 1.00 0.00 C ATOM 1580 O HIS A 105 61.945 33.706 52.912 1.00 0.00 O ATOM 1581 CB HIS A 105 64.640 32.426 51.336 1.00 0.00 C ATOM 1582 CG HIS A 105 64.766 32.582 49.833 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.201 33.581 49.078 1.00 0.00 N ATOM 1584 CD2 HIS A 105 65.415 31.746 48.965 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.507 33.362 47.792 1.00 0.00 C ATOM 1586 NE2 HIS A 105 65.289 32.280 47.674 1.00 0.00 N ATOM 0 H HIS A 105 61.729 32.869 50.816 1.00 0.00 H new ATOM 0 HA HIS A 105 63.414 30.973 52.254 1.00 0.00 H new ATOM 0 HB2 HIS A 105 64.902 33.378 51.797 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.383 31.699 51.663 1.00 0.00 H new ATOM 0 HD1 HIS A 105 63.644 34.357 49.435 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.933 30.835 49.228 1.00 0.00 H new ATOM 0 HE1 HIS A 105 64.171 33.972 46.966 1.00 0.00 H new ATOM 1594 N VAL A 106 63.330 32.584 54.251 1.00 0.00 N ATOM 1595 CA VAL A 106 62.907 33.241 55.494 1.00 0.00 C ATOM 1596 C VAL A 106 64.131 33.546 56.350 1.00 0.00 C ATOM 1597 O VAL A 106 64.940 32.667 56.645 1.00 0.00 O ATOM 1598 CB VAL A 106 61.886 32.371 56.251 1.00 0.00 C ATOM 1599 CG1 VAL A 106 61.519 32.947 57.623 1.00 0.00 C ATOM 1600 CG2 VAL A 106 60.573 32.176 55.484 1.00 0.00 C ATOM 0 H VAL A 106 64.076 31.902 54.387 1.00 0.00 H new ATOM 0 HA VAL A 106 62.411 34.182 55.255 1.00 0.00 H new ATOM 0 HB VAL A 106 62.395 31.414 56.365 1.00 0.00 H new ATOM 0 HG11 VAL A 106 60.796 32.293 58.111 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.416 33.020 58.238 1.00 0.00 H new ATOM 0 HG13 VAL A 106 61.084 33.938 57.497 1.00 0.00 H new ATOM 0 HG21 VAL A 106 59.897 31.554 56.071 1.00 0.00 H new ATOM 0 HG22 VAL A 106 60.109 33.146 55.304 1.00 0.00 H new ATOM 0 HG23 VAL A 106 60.777 31.689 54.531 1.00 0.00 H new ATOM 1610 N PHE A 107 64.263 34.811 56.741 1.00 0.00 N ATOM 1611 CA PHE A 107 65.402 35.316 57.520 1.00 0.00 C ATOM 1612 C PHE A 107 64.935 36.197 58.699 1.00 0.00 C ATOM 1613 O PHE A 107 63.907 36.874 58.585 1.00 0.00 O ATOM 1614 CB PHE A 107 66.346 36.148 56.625 1.00 0.00 C ATOM 1615 CG PHE A 107 66.666 35.652 55.220 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.994 34.307 54.972 1.00 0.00 C ATOM 1617 CD2 PHE A 107 66.709 36.575 54.154 1.00 0.00 C ATOM 1618 CE1 PHE A 107 67.329 33.878 53.675 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.063 36.153 52.860 1.00 0.00 C ATOM 1620 CZ PHE A 107 67.369 34.803 52.619 1.00 0.00 C ATOM 0 H PHE A 107 63.573 35.530 56.524 1.00 0.00 H new ATOM 0 HA PHE A 107 65.931 34.448 57.913 1.00 0.00 H new ATOM 0 HB2 PHE A 107 65.915 37.145 56.531 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.291 36.258 57.157 1.00 0.00 H new ATOM 0 HD1 PHE A 107 66.989 33.597 55.785 1.00 0.00 H new ATOM 0 HD2 PHE A 107 66.468 37.613 54.333 1.00 0.00 H new ATOM 0 HE1 PHE A 107 67.555 32.838 53.491 1.00 0.00 H new ATOM 0 HE2 PHE A 107 67.100 36.867 52.051 1.00 0.00 H new ATOM 0 HZ PHE A 107 67.634 34.477 51.624 1.00 0.00 H new ATOM 1630 N PRO A 108 65.694 36.288 59.806 1.00 0.00 N ATOM 1631 CA PRO A 108 65.558 37.377 60.771 1.00 0.00 C ATOM 1632 C PRO A 108 66.273 38.636 60.259 1.00 0.00 C ATOM 1633 O PRO A 108 67.382 38.546 59.737 1.00 0.00 O ATOM 1634 CB PRO A 108 66.199 36.839 62.052 1.00 0.00 C ATOM 1635 CG PRO A 108 67.311 35.923 61.533 1.00 0.00 C ATOM 1636 CD PRO A 108 66.776 35.392 60.198 1.00 0.00 C ATOM 0 HA PRO A 108 64.522 37.671 60.937 1.00 0.00 H new ATOM 0 HB2 PRO A 108 66.597 37.643 62.671 1.00 0.00 H new ATOM 0 HB3 PRO A 108 65.480 36.293 62.663 1.00 0.00 H new ATOM 0 HG2 PRO A 108 68.245 36.469 61.398 1.00 0.00 H new ATOM 0 HG3 PRO A 108 67.515 35.111 62.231 1.00 0.00 H new ATOM 0 HD2 PRO A 108 67.562 35.377 59.443 1.00 0.00 H new ATOM 0 HD3 PRO A 108 66.415 34.369 60.303 1.00 0.00 H new ATOM 1644 N ASP A 109 65.695 39.825 60.456 1.00 0.00 N ATOM 1645 CA ASP A 109 66.388 41.091 60.106 1.00 0.00 C ATOM 1646 C ASP A 109 67.323 41.634 61.208 1.00 0.00 C ATOM 1647 O ASP A 109 68.069 42.601 61.020 1.00 0.00 O ATOM 1648 CB ASP A 109 65.368 42.131 59.631 1.00 0.00 C ATOM 1649 CG ASP A 109 64.301 42.444 60.677 1.00 0.00 C ATOM 1650 OD1 ASP A 109 63.278 41.726 60.714 1.00 0.00 O ATOM 1651 OD2 ASP A 109 64.438 43.430 61.434 1.00 0.00 O ATOM 0 H ASP A 109 64.762 39.948 60.850 1.00 0.00 H new ATOM 0 HA ASP A 109 67.066 40.862 59.283 1.00 0.00 H new ATOM 0 HB2 ASP A 109 65.891 43.050 59.368 1.00 0.00 H new ATOM 0 HB3 ASP A 109 64.884 41.769 58.724 1.00 0.00 H new ATOM 1656 N GLY A 110 67.290 40.963 62.354 1.00 0.00 N ATOM 1657 CA GLY A 110 67.773 41.424 63.656 1.00 0.00 C ATOM 1658 C GLY A 110 67.124 40.705 64.856 1.00 0.00 C ATOM 1659 O GLY A 110 67.861 40.293 65.754 1.00 0.00 O ATOM 0 H GLY A 110 66.901 40.022 62.404 1.00 0.00 H new ATOM 0 HA2 GLY A 110 68.853 41.283 63.702 1.00 0.00 H new ATOM 0 HA3 GLY A 110 67.587 42.494 63.743 1.00 0.00 H new ATOM 1663 N PRO A 111 65.785 40.518 64.915 1.00 0.00 N ATOM 1664 CA PRO A 111 65.117 39.896 66.066 1.00 0.00 C ATOM 1665 C PRO A 111 65.243 38.359 66.102 1.00 0.00 C ATOM 1666 O PRO A 111 65.802 37.728 65.206 1.00 0.00 O ATOM 1667 CB PRO A 111 63.658 40.358 65.965 1.00 0.00 C ATOM 1668 CG PRO A 111 63.445 40.435 64.460 1.00 0.00 C ATOM 1669 CD PRO A 111 64.772 41.009 63.980 1.00 0.00 C ATOM 0 HA PRO A 111 65.586 40.203 67.001 1.00 0.00 H new ATOM 0 HB2 PRO A 111 62.974 39.652 66.437 1.00 0.00 H new ATOM 0 HB3 PRO A 111 63.503 41.323 66.447 1.00 0.00 H new ATOM 0 HG2 PRO A 111 63.244 39.456 64.026 1.00 0.00 H new ATOM 0 HG3 PRO A 111 62.604 41.078 64.199 1.00 0.00 H new ATOM 0 HD2 PRO A 111 64.991 40.686 62.962 1.00 0.00 H new ATOM 0 HD3 PRO A 111 64.745 42.099 63.970 1.00 0.00 H new ATOM 1677 N LYS A 112 64.665 37.748 67.147 1.00 0.00 N ATOM 1678 CA LYS A 112 64.485 36.288 67.302 1.00 0.00 C ATOM 1679 C LYS A 112 63.682 35.684 66.137 1.00 0.00 C ATOM 1680 O LYS A 112 62.956 36.426 65.476 1.00 0.00 O ATOM 1681 CB LYS A 112 63.852 35.995 68.683 1.00 0.00 C ATOM 1682 CG LYS A 112 64.892 35.747 69.799 1.00 0.00 C ATOM 1683 CD LYS A 112 65.875 36.897 70.058 1.00 0.00 C ATOM 1684 CE LYS A 112 65.146 38.133 70.586 1.00 0.00 C ATOM 1685 NZ LYS A 112 65.988 39.348 70.510 1.00 0.00 N ATOM 0 H LYS A 112 64.295 38.273 67.940 1.00 0.00 H new ATOM 0 HA LYS A 112 65.459 35.800 67.265 1.00 0.00 H new ATOM 0 HB2 LYS A 112 63.218 36.834 68.968 1.00 0.00 H new ATOM 0 HB3 LYS A 112 63.206 35.121 68.599 1.00 0.00 H new ATOM 0 HG2 LYS A 112 64.360 35.532 70.726 1.00 0.00 H new ATOM 0 HG3 LYS A 112 65.464 34.854 69.546 1.00 0.00 H new ATOM 0 HD2 LYS A 112 66.629 36.580 70.778 1.00 0.00 H new ATOM 0 HD3 LYS A 112 66.400 37.146 69.136 1.00 0.00 H new ATOM 0 HE2 LYS A 112 64.233 38.288 70.012 1.00 0.00 H new ATOM 0 HE3 LYS A 112 64.847 37.963 71.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 65.456 40.163 70.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 66.848 39.211 71.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 66.253 39.526 69.520 1.00 0.00 H new ATOM 1699 N PRO A 113 63.711 34.349 65.913 1.00 0.00 N ATOM 1700 CA PRO A 113 62.982 33.676 64.821 1.00 0.00 C ATOM 1701 C PRO A 113 61.449 33.891 64.792 1.00 0.00 C ATOM 1702 O PRO A 113 60.778 33.452 63.857 1.00 0.00 O ATOM 1703 CB PRO A 113 63.365 32.191 64.906 1.00 0.00 C ATOM 1704 CG PRO A 113 63.845 32.016 66.343 1.00 0.00 C ATOM 1705 CD PRO A 113 64.505 33.360 66.636 1.00 0.00 C ATOM 0 HA PRO A 113 63.282 34.128 63.876 1.00 0.00 H new ATOM 0 HB2 PRO A 113 62.514 31.546 64.688 1.00 0.00 H new ATOM 0 HB3 PRO A 113 64.147 31.939 64.190 1.00 0.00 H new ATOM 0 HG2 PRO A 113 63.019 31.812 67.025 1.00 0.00 H new ATOM 0 HG3 PRO A 113 64.549 31.189 66.438 1.00 0.00 H new ATOM 0 HD2 PRO A 113 64.513 33.569 67.706 1.00 0.00 H new ATOM 0 HD3 PRO A 113 65.543 33.369 66.302 1.00 0.00 H new ATOM 1713 N THR A 114 60.899 34.604 65.781 1.00 0.00 N ATOM 1714 CA THR A 114 59.500 35.088 65.831 1.00 0.00 C ATOM 1715 C THR A 114 59.245 36.379 65.025 1.00 0.00 C ATOM 1716 O THR A 114 58.113 36.680 64.656 1.00 0.00 O ATOM 1717 CB THR A 114 59.124 35.288 67.306 1.00 0.00 C ATOM 1718 OG1 THR A 114 57.734 35.193 67.497 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.606 36.605 67.923 1.00 0.00 C ATOM 0 H THR A 114 61.433 34.875 66.607 1.00 0.00 H new ATOM 0 HA THR A 114 58.872 34.335 65.355 1.00 0.00 H new ATOM 0 HB THR A 114 59.647 34.482 67.821 1.00 0.00 H new ATOM 0 HG1 THR A 114 57.524 35.323 68.445 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.293 36.654 68.966 1.00 0.00 H new ATOM 0 HG22 THR A 114 60.693 36.656 67.868 1.00 0.00 H new ATOM 0 HG23 THR A 114 59.175 37.443 67.375 1.00 0.00 H new ATOM 1727 N GLY A 115 60.306 37.149 64.758 1.00 0.00 N ATOM 1728 CA GLY A 115 60.317 38.440 64.052 1.00 0.00 C ATOM 1729 C GLY A 115 60.701 38.377 62.576 1.00 0.00 C ATOM 1730 O GLY A 115 61.132 39.377 62.011 1.00 0.00 O ATOM 0 H GLY A 115 61.243 36.870 65.048 1.00 0.00 H new ATOM 0 HA2 GLY A 115 59.326 38.887 64.133 1.00 0.00 H new ATOM 0 HA3 GLY A 115 61.011 39.108 64.562 1.00 0.00 H new ATOM 1734 N GLN A 116 60.661 37.185 61.990 1.00 0.00 N ATOM 1735 CA GLN A 116 61.232 36.905 60.677 1.00 0.00 C ATOM 1736 C GLN A 116 60.467 37.536 59.508 1.00 0.00 C ATOM 1737 O GLN A 116 59.288 37.879 59.595 1.00 0.00 O ATOM 1738 CB GLN A 116 61.424 35.405 60.504 1.00 0.00 C ATOM 1739 CG GLN A 116 62.590 34.981 61.387 1.00 0.00 C ATOM 1740 CD GLN A 116 63.043 33.585 61.048 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.046 33.369 60.392 1.00 0.00 O ATOM 1742 NE2 GLN A 116 62.299 32.591 61.446 1.00 0.00 N ATOM 0 H GLN A 116 60.223 36.371 62.422 1.00 0.00 H new ATOM 0 HA GLN A 116 62.207 37.392 60.647 1.00 0.00 H new ATOM 0 HB2 GLN A 116 60.517 34.869 60.785 1.00 0.00 H new ATOM 0 HB3 GLN A 116 61.627 35.164 59.461 1.00 0.00 H new ATOM 0 HG2 GLN A 116 63.419 35.677 61.260 1.00 0.00 H new ATOM 0 HG3 GLN A 116 62.293 35.027 62.435 1.00 0.00 H new ATOM 0 HE21 GLN A 116 61.459 32.771 61.996 1.00 0.00 H new ATOM 0 HE22 GLN A 116 62.557 31.633 61.208 1.00 0.00 H new ATOM 1751 N ARG A 117 61.172 37.663 58.384 1.00 0.00 N ATOM 1752 CA ARG A 117 60.691 38.197 57.114 1.00 0.00 C ATOM 1753 C ARG A 117 60.814 37.087 56.080 1.00 0.00 C ATOM 1754 O ARG A 117 61.873 36.471 55.950 1.00 0.00 O ATOM 1755 CB ARG A 117 61.510 39.441 56.704 1.00 0.00 C ATOM 1756 CG ARG A 117 61.922 40.379 57.858 1.00 0.00 C ATOM 1757 CD ARG A 117 60.733 40.981 58.618 1.00 0.00 C ATOM 1758 NE ARG A 117 60.369 42.311 58.091 1.00 0.00 N ATOM 1759 CZ ARG A 117 60.726 43.471 58.612 1.00 0.00 C ATOM 1760 NH1 ARG A 117 61.482 43.573 59.662 1.00 0.00 N ATOM 1761 NH2 ARG A 117 60.355 44.591 58.067 1.00 0.00 N ATOM 0 H ARG A 117 62.150 37.379 58.335 1.00 0.00 H new ATOM 0 HA ARG A 117 59.652 38.517 57.196 1.00 0.00 H new ATOM 0 HB2 ARG A 117 62.412 39.107 56.192 1.00 0.00 H new ATOM 0 HB3 ARG A 117 60.928 40.015 55.983 1.00 0.00 H new ATOM 0 HG2 ARG A 117 62.547 39.826 58.559 1.00 0.00 H new ATOM 0 HG3 ARG A 117 62.532 41.188 57.457 1.00 0.00 H new ATOM 0 HD2 ARG A 117 59.876 40.312 58.543 1.00 0.00 H new ATOM 0 HD3 ARG A 117 60.981 41.064 59.676 1.00 0.00 H new ATOM 0 HE ARG A 117 59.791 42.336 57.251 1.00 0.00 H new ATOM 0 HH11 ARG A 117 61.829 42.733 60.124 1.00 0.00 H new ATOM 0 HH12 ARG A 117 61.729 44.494 60.025 1.00 0.00 H new ATOM 0 HH21 ARG A 117 59.780 44.582 57.225 1.00 0.00 H new ATOM 0 HH22 ARG A 117 60.639 45.479 58.482 1.00 0.00 H new ATOM 1775 N PHE A 118 59.737 36.826 55.352 1.00 0.00 N ATOM 1776 CA PHE A 118 59.773 35.950 54.185 1.00 0.00 C ATOM 1777 C PHE A 118 60.211 36.773 52.974 1.00 0.00 C ATOM 1778 O PHE A 118 59.640 37.828 52.699 1.00 0.00 O ATOM 1779 CB PHE A 118 58.399 35.304 53.992 1.00 0.00 C ATOM 1780 CG PHE A 118 58.292 34.097 53.079 1.00 0.00 C ATOM 1781 CD1 PHE A 118 58.604 34.187 51.708 1.00 0.00 C ATOM 1782 CD2 PHE A 118 57.754 32.901 53.589 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.410 33.079 50.865 1.00 0.00 C ATOM 1784 CE2 PHE A 118 57.536 31.806 52.739 1.00 0.00 C ATOM 1785 CZ PHE A 118 57.864 31.895 51.376 1.00 0.00 C ATOM 0 H PHE A 118 58.815 37.214 55.552 1.00 0.00 H new ATOM 0 HA PHE A 118 60.491 35.141 54.319 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.029 35.011 54.974 1.00 0.00 H new ATOM 0 HB3 PHE A 118 57.723 36.069 53.611 1.00 0.00 H new ATOM 0 HD1 PHE A 118 58.993 35.110 51.304 1.00 0.00 H new ATOM 0 HD2 PHE A 118 57.508 32.826 54.638 1.00 0.00 H new ATOM 0 HE1 PHE A 118 58.682 33.141 49.822 1.00 0.00 H new ATOM 0 HE2 PHE A 118 57.115 30.893 53.134 1.00 0.00 H new ATOM 0 HZ PHE A 118 57.695 31.051 50.723 1.00 0.00 H new ATOM 1795 N CYS A 119 61.190 36.263 52.242 1.00 0.00 N ATOM 1796 CA CYS A 119 61.721 36.808 50.993 1.00 0.00 C ATOM 1797 C CYS A 119 61.428 35.816 49.856 1.00 0.00 C ATOM 1798 O CYS A 119 61.771 34.644 49.988 1.00 0.00 O ATOM 1799 CB CYS A 119 63.225 37.033 51.158 1.00 0.00 C ATOM 1800 SG CYS A 119 63.617 37.960 52.676 1.00 0.00 S ATOM 0 H CYS A 119 61.667 35.405 52.518 1.00 0.00 H new ATOM 0 HA CYS A 119 61.251 37.761 50.750 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.735 36.070 51.180 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.607 37.576 50.293 1.00 0.00 H new ATOM 0 HG CYS A 119 64.714 37.496 53.197 1.00 0.00 H new ATOM 1806 N ILE A 120 60.848 36.232 48.729 1.00 0.00 N ATOM 1807 CA ILE A 120 60.635 35.356 47.559 1.00 0.00 C ATOM 1808 C ILE A 120 61.299 35.966 46.317 1.00 0.00 C ATOM 1809 O ILE A 120 61.900 37.035 46.395 1.00 0.00 O ATOM 1810 CB ILE A 120 59.132 35.003 47.417 1.00 0.00 C ATOM 1811 CG1 ILE A 120 58.918 33.713 46.610 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.295 36.166 46.872 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.520 33.105 46.747 1.00 0.00 C ATOM 0 H ILE A 120 60.510 37.185 48.594 1.00 0.00 H new ATOM 0 HA ILE A 120 61.130 34.394 47.696 1.00 0.00 H new ATOM 0 HB ILE A 120 58.768 34.815 48.427 1.00 0.00 H new ATOM 0 HG12 ILE A 120 59.108 33.922 45.557 1.00 0.00 H new ATOM 0 HG13 ILE A 120 59.655 32.975 46.927 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.252 35.859 46.795 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.373 37.018 47.547 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.664 36.449 45.886 1.00 0.00 H new ATOM 0 HD11 ILE A 120 57.457 32.198 46.145 1.00 0.00 H new ATOM 0 HD12 ILE A 120 57.330 32.861 47.792 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.776 33.822 46.401 1.00 0.00 H new ATOM 1825 N ASN A 121 61.282 35.273 45.181 1.00 0.00 N ATOM 1826 CA ASN A 121 61.856 35.764 43.936 1.00 0.00 C ATOM 1827 C ASN A 121 60.981 35.403 42.718 1.00 0.00 C ATOM 1828 O ASN A 121 60.442 34.302 42.634 1.00 0.00 O ATOM 1829 CB ASN A 121 63.303 35.255 43.853 1.00 0.00 C ATOM 1830 CG ASN A 121 63.445 33.865 43.271 1.00 0.00 C ATOM 1831 OD1 ASN A 121 63.941 33.690 42.176 1.00 0.00 O ATOM 1832 ND2 ASN A 121 63.076 32.825 43.966 1.00 0.00 N ATOM 0 H ASN A 121 60.865 34.346 45.101 1.00 0.00 H new ATOM 0 HA ASN A 121 61.879 36.854 43.922 1.00 0.00 H new ATOM 0 HB2 ASN A 121 63.886 35.950 43.248 1.00 0.00 H new ATOM 0 HB3 ASN A 121 63.736 35.263 44.853 1.00 0.00 H new ATOM 0 HD21 ASN A 121 63.206 31.887 43.588 1.00 0.00 H new ATOM 0 HD22 ASN A 121 62.657 32.950 44.888 1.00 0.00 H new ATOM 1839 N SER A 122 60.843 36.330 41.767 1.00 0.00 N ATOM 1840 CA SER A 122 59.827 36.310 40.697 1.00 0.00 C ATOM 1841 C SER A 122 60.084 35.327 39.534 1.00 0.00 C ATOM 1842 O SER A 122 59.696 35.600 38.404 1.00 0.00 O ATOM 1843 CB SER A 122 59.652 37.734 40.148 1.00 0.00 C ATOM 1844 OG SER A 122 59.535 38.684 41.193 1.00 0.00 O ATOM 0 H SER A 122 61.453 37.145 41.714 1.00 0.00 H new ATOM 0 HA SER A 122 58.918 35.937 41.170 1.00 0.00 H new ATOM 0 HB2 SER A 122 60.504 37.989 39.517 1.00 0.00 H new ATOM 0 HB3 SER A 122 58.764 37.775 39.517 1.00 0.00 H new ATOM 0 HG SER A 122 59.427 39.580 40.810 1.00 0.00 H new ATOM 1850 N VAL A 123 60.776 34.209 39.772 1.00 0.00 N ATOM 1851 CA VAL A 123 61.322 33.332 38.711 1.00 0.00 C ATOM 1852 C VAL A 123 60.300 32.381 38.082 1.00 0.00 C ATOM 1853 O VAL A 123 60.417 32.018 36.911 1.00 0.00 O ATOM 1854 CB VAL A 123 62.540 32.572 39.272 1.00 0.00 C ATOM 1855 CG1 VAL A 123 62.201 31.511 40.328 1.00 0.00 C ATOM 1856 CG2 VAL A 123 63.403 31.942 38.176 1.00 0.00 C ATOM 0 H VAL A 123 60.980 33.876 40.715 1.00 0.00 H new ATOM 0 HA VAL A 123 61.625 33.976 37.885 1.00 0.00 H new ATOM 0 HB VAL A 123 63.112 33.352 39.774 1.00 0.00 H new ATOM 0 HG11 VAL A 123 63.118 31.028 40.666 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.708 31.986 41.176 1.00 0.00 H new ATOM 0 HG13 VAL A 123 61.536 30.764 39.893 1.00 0.00 H new ATOM 0 HG21 VAL A 123 64.245 31.421 38.631 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.804 31.234 37.603 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.775 32.722 37.512 1.00 0.00 H new ATOM 1866 N ALA A 124 59.314 31.964 38.874 1.00 0.00 N ATOM 1867 CA ALA A 124 58.426 30.836 38.556 1.00 0.00 C ATOM 1868 C ALA A 124 57.009 30.950 39.167 1.00 0.00 C ATOM 1869 O ALA A 124 56.468 29.975 39.686 1.00 0.00 O ATOM 1870 CB ALA A 124 59.139 29.534 38.964 1.00 0.00 C ATOM 0 H ALA A 124 59.102 32.404 39.770 1.00 0.00 H new ATOM 0 HA ALA A 124 58.241 30.842 37.482 1.00 0.00 H new ATOM 0 HB1 ALA A 124 58.498 28.682 38.737 1.00 0.00 H new ATOM 0 HB2 ALA A 124 60.074 29.442 38.411 1.00 0.00 H new ATOM 0 HB3 ALA A 124 59.350 29.555 40.033 1.00 0.00 H new ATOM 1876 N LEU A 125 56.404 32.143 39.142 1.00 0.00 N ATOM 1877 CA LEU A 125 55.154 32.442 39.851 1.00 0.00 C ATOM 1878 C LEU A 125 54.120 33.156 38.967 1.00 0.00 C ATOM 1879 O LEU A 125 54.467 33.913 38.059 1.00 0.00 O ATOM 1880 CB LEU A 125 55.467 33.312 41.082 1.00 0.00 C ATOM 1881 CG LEU A 125 56.472 32.734 42.095 1.00 0.00 C ATOM 1882 CD1 LEU A 125 56.792 33.790 43.153 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.928 31.498 42.805 1.00 0.00 C ATOM 0 H LEU A 125 56.774 32.939 38.622 1.00 0.00 H new ATOM 0 HA LEU A 125 54.714 31.490 40.149 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.848 34.272 40.733 1.00 0.00 H new ATOM 0 HB3 LEU A 125 54.532 33.511 41.605 1.00 0.00 H new ATOM 0 HG LEU A 125 57.364 32.448 41.538 1.00 0.00 H new ATOM 0 HD11 LEU A 125 57.503 33.382 43.871 1.00 0.00 H new ATOM 0 HD12 LEU A 125 57.224 34.667 42.672 1.00 0.00 H new ATOM 0 HD13 LEU A 125 55.876 34.075 43.671 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.672 31.126 43.509 1.00 0.00 H new ATOM 0 HD22 LEU A 125 55.017 31.759 43.344 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.706 30.724 42.070 1.00 0.00 H new ATOM 1895 N LYS A 126 52.841 32.983 39.306 1.00 0.00 N ATOM 1896 CA LYS A 126 51.698 33.790 38.842 1.00 0.00 C ATOM 1897 C LYS A 126 50.980 34.467 40.016 1.00 0.00 C ATOM 1898 O LYS A 126 51.023 33.994 41.148 1.00 0.00 O ATOM 1899 CB LYS A 126 50.730 32.926 38.022 1.00 0.00 C ATOM 1900 CG LYS A 126 50.749 33.278 36.532 1.00 0.00 C ATOM 1901 CD LYS A 126 52.051 32.920 35.800 1.00 0.00 C ATOM 1902 CE LYS A 126 52.830 34.167 35.377 1.00 0.00 C ATOM 1903 NZ LYS A 126 53.926 33.832 34.444 1.00 0.00 N ATOM 0 H LYS A 126 52.554 32.240 39.943 1.00 0.00 H new ATOM 0 HA LYS A 126 52.080 34.581 38.197 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.991 31.875 38.147 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.719 33.052 38.409 1.00 0.00 H new ATOM 0 HG2 LYS A 126 49.921 32.766 36.042 1.00 0.00 H new ATOM 0 HG3 LYS A 126 50.571 34.348 36.424 1.00 0.00 H new ATOM 0 HD2 LYS A 126 52.675 32.305 36.449 1.00 0.00 H new ATOM 0 HD3 LYS A 126 51.819 32.321 34.919 1.00 0.00 H new ATOM 0 HE2 LYS A 126 52.152 34.877 34.903 1.00 0.00 H new ATOM 0 HE3 LYS A 126 53.240 34.658 36.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 54.433 34.700 34.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 54.586 33.174 34.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 53.532 33.386 33.591 1.00 0.00 H new ATOM 1917 N PHE A 127 50.319 35.594 39.758 1.00 0.00 N ATOM 1918 CA PHE A 127 49.685 36.417 40.793 1.00 0.00 C ATOM 1919 C PHE A 127 48.465 37.188 40.268 1.00 0.00 C ATOM 1920 O PHE A 127 48.537 37.815 39.213 1.00 0.00 O ATOM 1921 CB PHE A 127 50.741 37.352 41.402 1.00 0.00 C ATOM 1922 CG PHE A 127 51.726 37.966 40.417 1.00 0.00 C ATOM 1923 CD1 PHE A 127 51.394 39.132 39.701 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.967 37.337 40.182 1.00 0.00 C ATOM 1925 CE1 PHE A 127 52.290 39.658 38.751 1.00 0.00 C ATOM 1926 CE2 PHE A 127 53.859 37.860 39.230 1.00 0.00 C ATOM 1927 CZ PHE A 127 53.521 39.021 38.515 1.00 0.00 C ATOM 0 H PHE A 127 50.206 35.968 38.816 1.00 0.00 H new ATOM 0 HA PHE A 127 49.296 35.760 41.571 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.227 38.159 41.924 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.304 36.795 42.151 1.00 0.00 H new ATOM 0 HD1 PHE A 127 50.450 39.624 39.881 1.00 0.00 H new ATOM 0 HD2 PHE A 127 53.233 36.449 40.736 1.00 0.00 H new ATOM 0 HE1 PHE A 127 52.031 40.552 38.203 1.00 0.00 H new ATOM 0 HE2 PHE A 127 54.804 37.369 39.048 1.00 0.00 H new ATOM 0 HZ PHE A 127 54.206 39.424 37.784 1.00 0.00 H new ATOM 1937 N LYS A 128 47.333 37.113 40.986 1.00 0.00 N ATOM 1938 CA LYS A 128 46.027 37.707 40.622 1.00 0.00 C ATOM 1939 C LYS A 128 45.287 38.265 41.861 1.00 0.00 C ATOM 1940 O LYS A 128 45.632 37.881 42.985 1.00 0.00 O ATOM 1941 CB LYS A 128 45.197 36.650 39.864 1.00 0.00 C ATOM 1942 CG LYS A 128 45.754 36.428 38.445 1.00 0.00 C ATOM 1943 CD LYS A 128 45.000 35.341 37.687 1.00 0.00 C ATOM 1944 CE LYS A 128 45.675 35.123 36.323 1.00 0.00 C ATOM 1945 NZ LYS A 128 45.076 33.985 35.594 1.00 0.00 N ATOM 0 H LYS A 128 47.296 36.616 41.876 1.00 0.00 H new ATOM 0 HA LYS A 128 46.185 38.563 39.967 1.00 0.00 H new ATOM 0 HB2 LYS A 128 45.208 35.709 40.415 1.00 0.00 H new ATOM 0 HB3 LYS A 128 44.157 36.972 39.805 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.698 37.362 37.886 1.00 0.00 H new ATOM 0 HG3 LYS A 128 46.808 36.157 38.510 1.00 0.00 H new ATOM 0 HD2 LYS A 128 45.000 34.414 38.260 1.00 0.00 H new ATOM 0 HD3 LYS A 128 43.958 35.631 37.550 1.00 0.00 H new ATOM 0 HE2 LYS A 128 45.584 36.028 35.723 1.00 0.00 H new ATOM 0 HE3 LYS A 128 46.740 34.942 36.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 45.556 33.868 34.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 45.185 33.117 36.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 44.065 34.169 35.434 1.00 0.00 H new ATOM 1959 N PRO A 129 44.319 39.192 41.702 1.00 0.00 N ATOM 1960 CA PRO A 129 43.682 39.870 42.833 1.00 0.00 C ATOM 1961 C PRO A 129 42.683 38.995 43.613 1.00 0.00 C ATOM 1962 O PRO A 129 42.242 37.940 43.156 1.00 0.00 O ATOM 1963 CB PRO A 129 43.021 41.124 42.249 1.00 0.00 C ATOM 1964 CG PRO A 129 42.657 40.670 40.841 1.00 0.00 C ATOM 1965 CD PRO A 129 43.845 39.785 40.455 1.00 0.00 C ATOM 0 HA PRO A 129 44.431 40.118 43.585 1.00 0.00 H new ATOM 0 HB2 PRO A 129 42.142 41.424 42.820 1.00 0.00 H new ATOM 0 HB3 PRO A 129 43.701 41.976 42.239 1.00 0.00 H new ATOM 0 HG2 PRO A 129 41.718 40.117 40.824 1.00 0.00 H new ATOM 0 HG3 PRO A 129 42.543 41.514 40.160 1.00 0.00 H new ATOM 0 HD2 PRO A 129 43.545 39.015 39.745 1.00 0.00 H new ATOM 0 HD3 PRO A 129 44.630 40.371 39.977 1.00 0.00 H new ATOM 1973 N SER A 130 42.339 39.466 44.811 1.00 0.00 N ATOM 1974 CA SER A 130 41.431 38.862 45.803 1.00 0.00 C ATOM 1975 C SER A 130 40.086 39.576 45.758 1.00 0.00 C ATOM 1976 O SER A 130 39.055 39.034 45.365 1.00 0.00 O ATOM 1977 CB SER A 130 42.050 39.002 47.206 1.00 0.00 C ATOM 1978 OG SER A 130 41.374 38.278 48.219 1.00 0.00 O ATOM 0 H SER A 130 42.716 40.353 45.147 1.00 0.00 H new ATOM 0 HA SER A 130 41.284 37.806 45.576 1.00 0.00 H new ATOM 0 HB2 SER A 130 43.087 38.667 47.167 1.00 0.00 H new ATOM 0 HB3 SER A 130 42.066 40.057 47.479 1.00 0.00 H new ATOM 0 HG SER A 130 41.655 38.606 49.099 1.00 0.00 H new ATOM 1984 N LYS A 131 40.150 40.838 46.168 1.00 0.00 N ATOM 1985 CA LYS A 131 39.145 41.873 46.114 1.00 0.00 C ATOM 1986 C LYS A 131 38.955 42.426 44.683 1.00 0.00 C ATOM 1987 O LYS A 131 39.538 41.884 43.737 1.00 0.00 O ATOM 1988 CB LYS A 131 39.578 42.930 47.146 1.00 0.00 C ATOM 1989 CG LYS A 131 39.118 42.611 48.574 1.00 0.00 C ATOM 1990 CD LYS A 131 39.502 41.265 49.217 1.00 0.00 C ATOM 1991 CE LYS A 131 38.497 40.142 48.893 1.00 0.00 C ATOM 1992 NZ LYS A 131 38.844 38.863 49.553 1.00 0.00 N ATOM 0 H LYS A 131 41.008 41.191 46.593 1.00 0.00 H new ATOM 0 HA LYS A 131 38.155 41.494 46.366 1.00 0.00 H new ATOM 0 HB2 LYS A 131 40.665 43.016 47.133 1.00 0.00 H new ATOM 0 HB3 LYS A 131 39.178 43.900 46.851 1.00 0.00 H new ATOM 0 HG2 LYS A 131 39.497 43.401 49.222 1.00 0.00 H new ATOM 0 HG3 LYS A 131 38.030 42.680 48.589 1.00 0.00 H new ATOM 0 HD2 LYS A 131 40.493 40.971 48.871 1.00 0.00 H new ATOM 0 HD3 LYS A 131 39.566 41.389 50.298 1.00 0.00 H new ATOM 0 HE2 LYS A 131 37.499 40.450 49.206 1.00 0.00 H new ATOM 0 HE3 LYS A 131 38.460 39.992 47.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 38.094 38.165 49.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 39.745 38.509 49.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 38.937 39.015 50.578 1.00 0.00 H new