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 -78:sc= 1.15 USER MOD Set 1.2: A 119 CYS SG : rot 119:sc= 0.393 USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.739 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 178:sc= 1.45 (180deg=0.629) USER MOD Set 3.1: A 38 TYR OH : rot 34:sc= 1.39 USER MOD Set 3.2: A 40 CYS SG : rot 151:sc= 0.363! USER MOD Set 3.3: A 43 CYS SG : rot -100:sc= -1.74! USER MOD Set 3.4: A 96 CYS SG : rot -151:sc= -4.47! USER MOD Set 3.5: A 99 CYS SG : rot -24:sc= -3.74! USER MOD Single : A 35 THR OG1 : rot -159:sc= 0.032 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -0.627 K(o=-0.63,f=-2.4) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 78:sc= 1.12 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= 0.699 (180deg=0.228) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -43:sc= 0.353 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 -164:sc= 0 (180deg=-0.0933) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 102 HIS : no HE2:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Single : A 105 HIS : no HE2:sc= -0.127 K(o=-0.13,f=-4!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 116 GLN : amide:sc= -0.0667 X(o=-0.067,f=-0.41) USER MOD Single : A 121 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.5) 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+ -174:sc= 0 (180deg=-0.0377) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 44.433 44.695 48.847 1.00 0.00 N ATOM 559 CA THR A 35 44.903 43.315 49.083 1.00 0.00 C ATOM 560 C THR A 35 44.870 42.431 47.840 1.00 0.00 C ATOM 561 O THR A 35 44.532 42.889 46.748 1.00 0.00 O ATOM 562 CB THR A 35 44.158 42.687 50.273 1.00 0.00 C ATOM 563 OG1 THR A 35 45.024 41.773 50.902 1.00 0.00 O ATOM 564 CG2 THR A 35 42.823 41.999 50.008 1.00 0.00 C ATOM 0 HA THR A 35 45.960 43.383 49.341 1.00 0.00 H new ATOM 0 HB THR A 35 43.881 43.541 50.891 1.00 0.00 H new ATOM 0 HG1 THR A 35 44.499 41.134 51.428 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.423 41.608 50.944 1.00 0.00 H new ATOM 0 HG22 THR A 35 42.121 42.718 49.586 1.00 0.00 H new ATOM 0 HG23 THR A 35 42.970 41.179 49.305 1.00 0.00 H new ATOM 572 N GLY A 36 45.205 41.149 48.001 1.00 0.00 N ATOM 573 CA GLY A 36 45.169 40.157 46.913 1.00 0.00 C ATOM 574 C GLY A 36 45.751 38.781 47.230 1.00 0.00 C ATOM 575 O GLY A 36 45.723 38.332 48.374 1.00 0.00 O ATOM 0 H GLY A 36 45.511 40.763 48.894 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.132 40.026 46.604 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.707 40.567 46.059 1.00 0.00 H new ATOM 579 N MET A 37 46.337 38.127 46.221 1.00 0.00 N ATOM 580 CA MET A 37 46.845 36.754 46.258 1.00 0.00 C ATOM 581 C MET A 37 48.248 36.584 45.630 1.00 0.00 C ATOM 582 O MET A 37 48.890 37.518 45.135 1.00 0.00 O ATOM 583 CB MET A 37 45.807 35.829 45.584 1.00 0.00 C ATOM 584 CG MET A 37 45.600 36.137 44.093 1.00 0.00 C ATOM 585 SD MET A 37 44.828 34.809 43.126 1.00 0.00 S ATOM 586 CE MET A 37 43.199 34.708 43.920 1.00 0.00 C ATOM 0 H MET A 37 46.476 38.565 45.310 1.00 0.00 H new ATOM 0 HA MET A 37 46.979 36.478 47.304 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.128 34.793 45.693 1.00 0.00 H new ATOM 0 HB3 MET A 37 44.854 35.924 46.104 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.984 37.032 44.006 1.00 0.00 H new ATOM 0 HG3 MET A 37 46.568 36.371 43.650 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.605 33.933 43.435 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.323 34.463 44.975 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.689 35.667 43.828 1.00 0.00 H new ATOM 596 N TYR A 38 48.702 35.341 45.669 1.00 0.00 N ATOM 597 CA TYR A 38 49.737 34.692 44.862 1.00 0.00 C ATOM 598 C TYR A 38 49.214 33.324 44.398 1.00 0.00 C ATOM 599 O TYR A 38 48.527 32.634 45.160 1.00 0.00 O ATOM 600 CB TYR A 38 51.022 34.524 45.688 1.00 0.00 C ATOM 601 CG TYR A 38 52.000 33.488 45.156 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.761 32.111 45.368 1.00 0.00 C ATOM 603 CD2 TYR A 38 53.111 33.891 44.394 1.00 0.00 C ATOM 604 CE1 TYR A 38 52.547 31.143 44.717 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.942 32.922 43.802 1.00 0.00 C ATOM 606 CZ TYR A 38 53.627 31.548 43.908 1.00 0.00 C ATOM 607 OH TYR A 38 54.350 30.635 43.211 1.00 0.00 O ATOM 0 H TYR A 38 48.312 34.683 46.343 1.00 0.00 H new ATOM 0 HA TYR A 38 49.970 35.307 43.993 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.530 35.487 45.741 1.00 0.00 H new ATOM 0 HB3 TYR A 38 50.747 34.252 46.707 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.970 31.800 46.034 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.326 34.941 44.263 1.00 0.00 H new ATOM 0 HE1 TYR A 38 52.323 30.093 44.837 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.826 33.230 43.263 1.00 0.00 H new ATOM 0 HH TYR A 38 53.763 29.906 42.920 1.00 0.00 H new ATOM 617 N HIS A 39 49.586 32.913 43.188 1.00 0.00 N ATOM 618 CA HIS A 39 49.417 31.557 42.698 1.00 0.00 C ATOM 619 C HIS A 39 50.591 31.151 41.785 1.00 0.00 C ATOM 620 O HIS A 39 51.199 31.994 41.122 1.00 0.00 O ATOM 621 CB HIS A 39 48.057 31.470 41.988 1.00 0.00 C ATOM 622 CG HIS A 39 47.829 32.425 40.846 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.672 32.050 39.542 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.555 33.765 40.911 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.297 33.122 38.830 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.233 34.211 39.621 1.00 0.00 N ATOM 0 H HIS A 39 50.024 33.534 42.507 1.00 0.00 H new ATOM 0 HA HIS A 39 49.425 30.848 43.526 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.933 30.454 41.612 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.275 31.633 42.729 1.00 0.00 H new ATOM 0 HD1 HIS A 39 47.816 31.111 39.172 1.00 0.00 H new ATOM 0 HD2 HIS A 39 47.582 34.374 41.803 1.00 0.00 H new ATOM 0 HE1 HIS A 39 47.077 33.114 37.773 1.00 0.00 H new ATOM 634 N CYS A 40 50.916 29.862 41.731 1.00 0.00 N ATOM 635 CA CYS A 40 51.937 29.346 40.845 1.00 0.00 C ATOM 636 C CYS A 40 51.474 29.371 39.368 1.00 0.00 C ATOM 637 O CYS A 40 50.288 29.378 39.034 1.00 0.00 O ATOM 638 CB CYS A 40 52.289 27.938 41.327 1.00 0.00 C ATOM 639 SG CYS A 40 53.012 27.869 42.994 1.00 0.00 S ATOM 0 H CYS A 40 50.471 29.148 42.307 1.00 0.00 H new ATOM 0 HA CYS A 40 52.826 29.975 40.876 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.387 27.326 41.311 1.00 0.00 H new ATOM 0 HB3 CYS A 40 52.990 27.491 40.622 1.00 0.00 H new ATOM 0 HG CYS A 40 52.710 26.734 43.551 1.00 0.00 H new ATOM 644 N VAL A 41 52.469 29.280 38.491 1.00 0.00 N ATOM 645 CA VAL A 41 52.321 28.926 37.060 1.00 0.00 C ATOM 646 C VAL A 41 52.792 27.484 36.777 1.00 0.00 C ATOM 647 O VAL A 41 52.890 27.054 35.629 1.00 0.00 O ATOM 648 CB VAL A 41 52.986 29.996 36.169 1.00 0.00 C ATOM 649 CG1 VAL A 41 54.511 29.860 36.098 1.00 0.00 C ATOM 650 CG2 VAL A 41 52.402 30.038 34.751 1.00 0.00 C ATOM 0 H VAL A 41 53.439 29.454 38.754 1.00 0.00 H new ATOM 0 HA VAL A 41 51.262 28.929 36.800 1.00 0.00 H new ATOM 0 HB VAL A 41 52.756 30.941 36.661 1.00 0.00 H new ATOM 0 HG11 VAL A 41 54.917 30.642 35.456 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.932 29.957 37.099 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.771 28.884 35.689 1.00 0.00 H new ATOM 0 HG21 VAL A 41 52.909 30.809 34.171 1.00 0.00 H new ATOM 0 HG22 VAL A 41 52.544 29.070 34.270 1.00 0.00 H new ATOM 0 HG23 VAL A 41 51.337 30.264 34.803 1.00 0.00 H new ATOM 660 N CYS A 42 53.126 26.740 37.833 1.00 0.00 N ATOM 661 CA CYS A 42 53.863 25.485 37.769 1.00 0.00 C ATOM 662 C CYS A 42 53.027 24.291 38.247 1.00 0.00 C ATOM 663 O CYS A 42 52.829 23.356 37.471 1.00 0.00 O ATOM 664 CB CYS A 42 55.136 25.659 38.602 1.00 0.00 C ATOM 665 SG CYS A 42 56.253 26.893 37.871 1.00 0.00 S ATOM 0 H CYS A 42 52.881 27.007 38.786 1.00 0.00 H new ATOM 0 HA CYS A 42 54.116 25.258 36.733 1.00 0.00 H new ATOM 0 HB2 CYS A 42 54.870 25.963 39.614 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.652 24.702 38.682 1.00 0.00 H new ATOM 0 HG CYS A 42 57.316 27.009 38.611 1.00 0.00 H new ATOM 671 N CYS A 43 52.514 24.330 39.481 1.00 0.00 N ATOM 672 CA CYS A 43 51.732 23.259 40.078 1.00 0.00 C ATOM 673 C CYS A 43 50.258 23.297 39.620 1.00 0.00 C ATOM 674 O CYS A 43 49.878 22.526 38.735 1.00 0.00 O ATOM 675 CB CYS A 43 51.964 23.289 41.603 1.00 0.00 C ATOM 676 SG CYS A 43 52.020 24.969 42.268 1.00 0.00 S ATOM 0 H CYS A 43 52.638 25.130 40.102 1.00 0.00 H new ATOM 0 HA CYS A 43 52.065 22.283 39.726 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.168 22.733 42.098 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.900 22.780 41.834 1.00 0.00 H new ATOM 0 HG CYS A 43 53.258 25.325 42.443 1.00 0.00 H new ATOM 681 N ASP A 44 49.445 24.155 40.244 1.00 0.00 N ATOM 682 CA ASP A 44 48.056 24.461 39.842 1.00 0.00 C ATOM 683 C ASP A 44 47.500 25.736 40.502 1.00 0.00 C ATOM 684 O ASP A 44 47.040 26.661 39.824 1.00 0.00 O ATOM 685 CB ASP A 44 47.112 23.285 40.187 1.00 0.00 C ATOM 686 CG ASP A 44 46.848 22.347 39.008 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.237 22.798 38.011 1.00 0.00 O ATOM 688 OD2 ASP A 44 47.204 21.150 39.094 1.00 0.00 O ATOM 0 H ASP A 44 49.739 24.676 41.070 1.00 0.00 H new ATOM 0 HA ASP A 44 48.093 24.623 38.765 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.544 22.712 41.007 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.162 23.684 40.543 1.00 0.00 H new ATOM 693 N SER A 45 47.454 25.745 41.835 1.00 0.00 N ATOM 694 CA SER A 45 46.531 26.559 42.624 1.00 0.00 C ATOM 695 C SER A 45 47.107 27.888 43.143 1.00 0.00 C ATOM 696 O SER A 45 48.325 28.076 43.196 1.00 0.00 O ATOM 697 CB SER A 45 45.995 25.677 43.763 1.00 0.00 C ATOM 698 OG SER A 45 46.912 25.498 44.827 1.00 0.00 O ATOM 0 H SER A 45 48.073 25.172 42.409 1.00 0.00 H new ATOM 0 HA SER A 45 45.727 26.886 41.965 1.00 0.00 H new ATOM 0 HB2 SER A 45 45.080 26.122 44.155 1.00 0.00 H new ATOM 0 HB3 SER A 45 45.727 24.701 43.359 1.00 0.00 H new ATOM 0 HG SER A 45 46.915 26.297 45.394 1.00 0.00 H new ATOM 704 N PRO A 46 46.252 28.813 43.622 1.00 0.00 N ATOM 705 CA PRO A 46 46.672 29.747 44.661 1.00 0.00 C ATOM 706 C PRO A 46 47.120 29.009 45.926 1.00 0.00 C ATOM 707 O PRO A 46 46.664 27.898 46.205 1.00 0.00 O ATOM 708 CB PRO A 46 45.471 30.661 44.903 1.00 0.00 C ATOM 709 CG PRO A 46 44.282 29.756 44.577 1.00 0.00 C ATOM 710 CD PRO A 46 44.810 28.911 43.416 1.00 0.00 C ATOM 0 HA PRO A 46 47.541 30.330 44.358 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.436 31.019 45.932 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.497 31.541 44.260 1.00 0.00 H new ATOM 0 HG2 PRO A 46 43.997 29.139 45.429 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.402 30.332 44.291 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.348 27.924 43.408 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.582 29.377 42.457 1.00 0.00 H new ATOM 718 N LEU A 47 48.019 29.645 46.681 1.00 0.00 N ATOM 719 CA LEU A 47 48.573 29.087 47.924 1.00 0.00 C ATOM 720 C LEU A 47 48.809 30.143 49.014 1.00 0.00 C ATOM 721 O LEU A 47 48.661 29.842 50.194 1.00 0.00 O ATOM 722 CB LEU A 47 49.881 28.322 47.603 1.00 0.00 C ATOM 723 CG LEU A 47 50.046 26.952 48.295 1.00 0.00 C ATOM 724 CD1 LEU A 47 49.900 26.991 49.818 1.00 0.00 C ATOM 725 CD2 LEU A 47 49.046 25.935 47.747 1.00 0.00 C ATOM 0 H LEU A 47 48.387 30.567 46.449 1.00 0.00 H new ATOM 0 HA LEU A 47 47.830 28.402 48.333 1.00 0.00 H new ATOM 0 HB2 LEU A 47 49.937 28.172 46.525 1.00 0.00 H new ATOM 0 HB3 LEU A 47 50.726 28.952 47.881 1.00 0.00 H new ATOM 0 HG LEU A 47 51.071 26.656 48.070 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.030 25.987 50.222 1.00 0.00 H new ATOM 0 HD12 LEU A 47 50.657 27.653 50.239 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.909 27.361 50.079 1.00 0.00 H new ATOM 0 HD21 LEU A 47 49.185 24.979 48.252 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.031 26.293 47.920 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.207 25.806 46.677 1.00 0.00 H new ATOM 737 N PHE A 48 49.137 31.389 48.643 1.00 0.00 N ATOM 738 CA PHE A 48 49.443 32.445 49.617 1.00 0.00 C ATOM 739 C PHE A 48 48.610 33.700 49.343 1.00 0.00 C ATOM 740 O PHE A 48 48.569 34.194 48.216 1.00 0.00 O ATOM 741 CB PHE A 48 50.949 32.781 49.619 1.00 0.00 C ATOM 742 CG PHE A 48 51.919 31.613 49.516 1.00 0.00 C ATOM 743 CD1 PHE A 48 51.845 30.532 50.416 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.905 31.606 48.510 1.00 0.00 C ATOM 745 CE1 PHE A 48 52.736 29.449 50.297 1.00 0.00 C ATOM 746 CE2 PHE A 48 53.786 30.519 48.382 1.00 0.00 C ATOM 747 CZ PHE A 48 53.701 29.437 49.275 1.00 0.00 C ATOM 0 H PHE A 48 49.197 31.690 47.670 1.00 0.00 H new ATOM 0 HA PHE A 48 49.180 32.070 50.606 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.146 33.459 48.788 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.173 33.327 50.535 1.00 0.00 H new ATOM 0 HD1 PHE A 48 51.102 30.534 51.200 1.00 0.00 H new ATOM 0 HD2 PHE A 48 52.984 32.443 47.832 1.00 0.00 H new ATOM 0 HE1 PHE A 48 52.678 28.625 50.993 1.00 0.00 H new ATOM 0 HE2 PHE A 48 54.528 30.515 47.598 1.00 0.00 H new ATOM 0 HZ PHE A 48 54.375 28.599 49.176 1.00 0.00 H new ATOM 757 N SER A 49 47.992 34.280 50.369 1.00 0.00 N ATOM 758 CA SER A 49 47.349 35.583 50.248 1.00 0.00 C ATOM 759 C SER A 49 48.408 36.682 50.254 1.00 0.00 C ATOM 760 O SER A 49 49.345 36.675 51.051 1.00 0.00 O ATOM 761 CB SER A 49 46.309 35.813 51.340 1.00 0.00 C ATOM 762 OG SER A 49 45.411 34.725 51.387 1.00 0.00 O ATOM 0 H SER A 49 47.924 33.864 51.298 1.00 0.00 H new ATOM 0 HA SER A 49 46.813 35.610 49.299 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.802 35.930 52.305 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.764 36.737 51.146 1.00 0.00 H new ATOM 0 HG SER A 49 44.747 34.879 52.091 1.00 0.00 H new ATOM 768 N SER A 50 48.206 37.697 49.418 1.00 0.00 N ATOM 769 CA SER A 50 48.990 38.940 49.431 1.00 0.00 C ATOM 770 C SER A 50 48.800 39.733 50.709 1.00 0.00 C ATOM 771 O SER A 50 49.525 40.679 50.972 1.00 0.00 O ATOM 772 CB SER A 50 48.586 39.843 48.283 1.00 0.00 C ATOM 773 OG SER A 50 49.655 40.692 47.913 1.00 0.00 O ATOM 0 H SER A 50 47.483 37.684 48.699 1.00 0.00 H new ATOM 0 HA SER A 50 50.032 38.632 49.345 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.283 39.239 47.428 1.00 0.00 H new ATOM 0 HB3 SER A 50 47.723 40.442 48.572 1.00 0.00 H new ATOM 0 HG SER A 50 49.375 41.266 47.170 1.00 0.00 H new ATOM 779 N GLU A 51 47.821 39.332 51.499 1.00 0.00 N ATOM 780 CA GLU A 51 47.563 39.859 52.823 1.00 0.00 C ATOM 781 C GLU A 51 48.731 39.707 53.798 1.00 0.00 C ATOM 782 O GLU A 51 48.963 40.563 54.647 1.00 0.00 O ATOM 783 CB GLU A 51 46.338 39.111 53.345 1.00 0.00 C ATOM 784 CG GLU A 51 45.282 40.065 53.880 1.00 0.00 C ATOM 785 CD GLU A 51 44.933 39.773 55.338 1.00 0.00 C ATOM 786 OE1 GLU A 51 45.860 39.627 56.167 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.734 39.686 55.667 1.00 0.00 O ATOM 0 H GLU A 51 47.161 38.604 51.225 1.00 0.00 H new ATOM 0 HA GLU A 51 47.405 40.935 52.749 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.911 38.508 52.544 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.641 38.423 54.135 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.641 41.090 53.792 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.382 39.989 53.270 1.00 0.00 H new ATOM 794 N LYS A 52 49.477 38.611 53.652 1.00 0.00 N ATOM 795 CA LYS A 52 50.747 38.356 54.336 1.00 0.00 C ATOM 796 C LYS A 52 51.967 38.910 53.594 1.00 0.00 C ATOM 797 O LYS A 52 53.091 38.733 54.058 1.00 0.00 O ATOM 798 CB LYS A 52 50.898 36.839 54.545 1.00 0.00 C ATOM 799 CG LYS A 52 49.661 36.159 55.143 1.00 0.00 C ATOM 800 CD LYS A 52 49.251 36.775 56.489 1.00 0.00 C ATOM 801 CE LYS A 52 47.852 37.368 56.432 1.00 0.00 C ATOM 802 NZ LYS A 52 47.414 37.890 57.746 1.00 0.00 N ATOM 0 H LYS A 52 49.204 37.849 53.032 1.00 0.00 H new ATOM 0 HA LYS A 52 50.715 38.882 55.290 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.127 36.373 53.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.750 36.657 55.200 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.831 36.239 54.441 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.863 35.097 55.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 49.292 36.012 57.266 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.964 37.551 56.767 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.830 38.173 55.697 1.00 0.00 H new ATOM 0 HE3 LYS A 52 47.150 36.607 56.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.734 38.664 57.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.961 37.127 58.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 48.239 38.246 58.271 1.00 0.00 H new ATOM 816 N LYS A 53 51.765 39.513 52.418 1.00 0.00 N ATOM 817 CA LYS A 53 52.835 39.931 51.499 1.00 0.00 C ATOM 818 C LYS A 53 53.171 41.398 51.740 1.00 0.00 C ATOM 819 O LYS A 53 52.285 42.246 51.753 1.00 0.00 O ATOM 820 CB LYS A 53 52.437 39.642 50.046 1.00 0.00 C ATOM 821 CG LYS A 53 53.553 39.763 48.993 1.00 0.00 C ATOM 822 CD LYS A 53 52.979 39.915 47.570 1.00 0.00 C ATOM 823 CE LYS A 53 52.119 38.724 47.103 1.00 0.00 C ATOM 824 NZ LYS A 53 51.140 39.124 46.057 1.00 0.00 N ATOM 0 H LYS A 53 50.832 39.730 52.068 1.00 0.00 H new ATOM 0 HA LYS A 53 53.739 39.353 51.693 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.030 38.632 49.998 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.632 40.323 49.770 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.182 40.623 49.226 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.191 38.880 49.036 1.00 0.00 H new ATOM 0 HD2 LYS A 53 52.376 40.822 47.529 1.00 0.00 H new ATOM 0 HD3 LYS A 53 53.804 40.049 46.870 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.767 37.939 46.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 51.587 38.303 47.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 50.604 38.289 45.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 50.484 39.830 46.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 51.646 39.533 45.246 1.00 0.00 H new ATOM 838 N TYR A 54 54.453 41.704 51.899 1.00 0.00 N ATOM 839 CA TYR A 54 54.896 43.058 52.237 1.00 0.00 C ATOM 840 C TYR A 54 54.634 44.020 51.067 1.00 0.00 C ATOM 841 O TYR A 54 55.177 43.835 49.977 1.00 0.00 O ATOM 842 CB TYR A 54 56.357 43.056 52.676 1.00 0.00 C ATOM 843 CG TYR A 54 56.633 42.419 54.033 1.00 0.00 C ATOM 844 CD1 TYR A 54 56.545 41.023 54.204 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.000 43.227 55.128 1.00 0.00 C ATOM 846 CE1 TYR A 54 56.855 40.435 55.444 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.299 42.644 56.376 1.00 0.00 C ATOM 848 CZ TYR A 54 57.233 41.242 56.533 1.00 0.00 C ATOM 849 OH TYR A 54 57.530 40.655 57.722 1.00 0.00 O ATOM 0 H TYR A 54 55.212 41.030 51.799 1.00 0.00 H new ATOM 0 HA TYR A 54 54.313 43.419 53.084 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.944 42.532 51.922 1.00 0.00 H new ATOM 0 HB3 TYR A 54 56.713 44.086 52.698 1.00 0.00 H new ATOM 0 HD1 TYR A 54 56.237 40.400 53.377 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.052 44.299 55.010 1.00 0.00 H new ATOM 0 HE1 TYR A 54 56.803 39.363 55.560 1.00 0.00 H new ATOM 0 HE2 TYR A 54 57.578 43.269 57.211 1.00 0.00 H new ATOM 0 HH TYR A 54 57.774 41.344 58.375 1.00 0.00 H new ATOM 933 N PRO A 61 59.382 41.215 46.652 1.00 0.00 N ATOM 934 CA PRO A 61 58.466 40.225 47.233 1.00 0.00 C ATOM 935 C PRO A 61 58.961 39.581 48.551 1.00 0.00 C ATOM 936 O PRO A 61 60.012 38.943 48.614 1.00 0.00 O ATOM 937 CB PRO A 61 58.304 39.204 46.110 1.00 0.00 C ATOM 938 CG PRO A 61 59.710 39.133 45.515 1.00 0.00 C ATOM 939 CD PRO A 61 60.299 40.526 45.749 1.00 0.00 C ATOM 0 HA PRO A 61 57.529 40.685 47.546 1.00 0.00 H new ATOM 0 HB2 PRO A 61 57.975 38.236 46.487 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.568 39.526 45.373 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.308 38.363 46.002 1.00 0.00 H new ATOM 0 HG3 PRO A 61 59.679 38.889 44.453 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.296 40.458 46.185 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.399 41.068 44.809 1.00 0.00 H new ATOM 947 N SER A 62 58.128 39.664 49.590 1.00 0.00 N ATOM 948 CA SER A 62 58.330 39.112 50.936 1.00 0.00 C ATOM 949 C SER A 62 56.981 38.671 51.529 1.00 0.00 C ATOM 950 O SER A 62 55.951 39.194 51.105 1.00 0.00 O ATOM 951 CB SER A 62 58.964 40.186 51.804 1.00 0.00 C ATOM 952 OG SER A 62 60.355 40.252 51.605 1.00 0.00 O ATOM 0 H SER A 62 57.235 40.150 49.511 1.00 0.00 H new ATOM 0 HA SER A 62 58.984 38.241 50.892 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.516 41.153 51.575 1.00 0.00 H new ATOM 0 HB3 SER A 62 58.754 39.978 52.853 1.00 0.00 H new ATOM 0 HG SER A 62 60.791 39.525 52.097 1.00 0.00 H new ATOM 958 N PHE A 63 56.955 37.760 52.511 1.00 0.00 N ATOM 959 CA PHE A 63 55.735 37.094 53.018 1.00 0.00 C ATOM 960 C PHE A 63 55.935 36.671 54.479 1.00 0.00 C ATOM 961 O PHE A 63 56.774 35.825 54.756 1.00 0.00 O ATOM 962 CB PHE A 63 55.440 35.817 52.209 1.00 0.00 C ATOM 963 CG PHE A 63 54.749 35.982 50.870 1.00 0.00 C ATOM 964 CD1 PHE A 63 53.342 35.974 50.806 1.00 0.00 C ATOM 965 CD2 PHE A 63 55.503 35.999 49.681 1.00 0.00 C ATOM 966 CE1 PHE A 63 52.690 35.947 49.561 1.00 0.00 C ATOM 967 CE2 PHE A 63 54.852 35.972 48.434 1.00 0.00 C ATOM 968 CZ PHE A 63 53.448 35.927 48.377 1.00 0.00 C ATOM 0 H PHE A 63 57.801 37.454 52.991 1.00 0.00 H new ATOM 0 HA PHE A 63 54.910 37.801 52.927 1.00 0.00 H new ATOM 0 HB2 PHE A 63 56.385 35.301 52.039 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.825 35.162 52.826 1.00 0.00 H new ATOM 0 HD1 PHE A 63 52.762 35.989 51.717 1.00 0.00 H new ATOM 0 HD2 PHE A 63 56.582 36.033 49.726 1.00 0.00 H new ATOM 0 HE1 PHE A 63 51.611 35.942 49.514 1.00 0.00 H new ATOM 0 HE2 PHE A 63 55.430 35.986 47.522 1.00 0.00 H new ATOM 0 HZ PHE A 63 52.950 35.877 47.420 1.00 0.00 H new ATOM 978 N SER A 64 55.171 37.215 55.423 1.00 0.00 N ATOM 979 CA SER A 64 55.335 36.865 56.848 1.00 0.00 C ATOM 980 C SER A 64 54.843 35.453 57.205 1.00 0.00 C ATOM 981 O SER A 64 55.297 34.871 58.196 1.00 0.00 O ATOM 982 CB SER A 64 54.667 37.915 57.737 1.00 0.00 C ATOM 983 OG SER A 64 53.257 37.864 57.609 1.00 0.00 O ATOM 0 H SER A 64 54.435 37.896 55.238 1.00 0.00 H new ATOM 0 HA SER A 64 56.409 36.859 57.036 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.948 37.748 58.777 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.025 38.908 57.465 1.00 0.00 H new ATOM 0 HG SER A 64 52.851 38.543 58.188 1.00 0.00 H new ATOM 989 N GLU A 65 53.922 34.890 56.416 1.00 0.00 N ATOM 990 CA GLU A 65 53.457 33.505 56.517 1.00 0.00 C ATOM 991 C GLU A 65 52.700 33.025 55.270 1.00 0.00 C ATOM 992 O GLU A 65 52.222 33.820 54.457 1.00 0.00 O ATOM 993 CB GLU A 65 52.546 33.325 57.744 1.00 0.00 C ATOM 994 CG GLU A 65 51.248 34.129 57.664 1.00 0.00 C ATOM 995 CD GLU A 65 50.420 34.032 58.942 1.00 0.00 C ATOM 996 OE1 GLU A 65 49.807 32.971 59.186 1.00 0.00 O ATOM 997 OE2 GLU A 65 50.343 35.056 59.663 1.00 0.00 O ATOM 0 H GLU A 65 53.465 35.405 55.664 1.00 0.00 H new ATOM 0 HA GLU A 65 54.358 32.899 56.615 1.00 0.00 H new ATOM 0 HB2 GLU A 65 52.303 32.268 57.854 1.00 0.00 H new ATOM 0 HB3 GLU A 65 53.093 33.621 58.639 1.00 0.00 H new ATOM 0 HG2 GLU A 65 51.484 35.175 57.466 1.00 0.00 H new ATOM 0 HG3 GLU A 65 50.654 33.772 56.823 1.00 0.00 H new ATOM 1004 N ALA A 66 52.502 31.709 55.195 1.00 0.00 N ATOM 1005 CA ALA A 66 51.519 31.071 54.325 1.00 0.00 C ATOM 1006 C ALA A 66 50.145 31.003 55.027 1.00 0.00 C ATOM 1007 O ALA A 66 49.767 29.970 55.577 1.00 0.00 O ATOM 1008 CB ALA A 66 52.065 29.694 53.920 1.00 0.00 C ATOM 0 H ALA A 66 53.035 31.042 55.753 1.00 0.00 H new ATOM 0 HA ALA A 66 51.358 31.652 53.417 1.00 0.00 H new ATOM 0 HB1 ALA A 66 51.348 29.195 53.268 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.010 29.818 53.391 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.225 29.089 54.813 1.00 0.00 H new ATOM 1162 N GLY A 78 51.062 21.438 50.748 1.00 0.00 N ATOM 1163 CA GLY A 78 51.890 20.912 49.670 1.00 0.00 C ATOM 1164 C GLY A 78 53.280 21.553 49.609 1.00 0.00 C ATOM 1165 O GLY A 78 53.969 21.378 48.607 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.999 19.835 49.797 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.381 21.071 48.719 1.00 0.00 H new ATOM 1169 N ILE A 79 53.707 22.281 50.652 1.00 0.00 N ATOM 1170 CA ILE A 79 55.030 22.920 50.731 1.00 0.00 C ATOM 1171 C ILE A 79 55.870 22.332 51.869 1.00 0.00 C ATOM 1172 O ILE A 79 55.339 21.746 52.809 1.00 0.00 O ATOM 1173 CB ILE A 79 54.951 24.463 50.760 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.653 25.105 52.133 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.963 24.990 49.704 1.00 0.00 C ATOM 1176 CD1 ILE A 79 55.867 25.305 53.055 1.00 0.00 C ATOM 0 H ILE A 79 53.133 22.445 51.479 1.00 0.00 H new ATOM 0 HA ILE A 79 55.555 22.684 49.806 1.00 0.00 H new ATOM 0 HB ILE A 79 55.968 24.775 50.521 1.00 0.00 H new ATOM 0 HG12 ILE A 79 54.184 26.075 51.966 1.00 0.00 H new ATOM 0 HG13 ILE A 79 53.924 24.484 52.653 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.929 26.079 49.749 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.290 24.678 48.712 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.970 24.588 49.902 1.00 0.00 H new ATOM 0 HD11 ILE A 79 55.543 25.762 53.990 1.00 0.00 H new ATOM 0 HD12 ILE A 79 56.328 24.340 53.264 1.00 0.00 H new ATOM 0 HD13 ILE A 79 56.592 25.955 52.566 1.00 0.00 H new ATOM 1188 N LEU A 80 57.188 22.511 51.790 1.00 0.00 N ATOM 1189 CA LEU A 80 58.190 21.907 52.665 1.00 0.00 C ATOM 1190 C LEU A 80 59.296 22.904 53.042 1.00 0.00 C ATOM 1191 O LEU A 80 59.275 24.068 52.644 1.00 0.00 O ATOM 1192 CB LEU A 80 58.748 20.626 52.023 1.00 0.00 C ATOM 1193 CG LEU A 80 58.701 19.453 53.008 1.00 0.00 C ATOM 1194 CD1 LEU A 80 57.348 18.742 52.976 1.00 0.00 C ATOM 1195 CD2 LEU A 80 59.798 18.440 52.710 1.00 0.00 C ATOM 0 H LEU A 80 57.606 23.111 51.079 1.00 0.00 H new ATOM 0 HA LEU A 80 57.708 21.628 53.602 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.171 20.380 51.132 1.00 0.00 H new ATOM 0 HB3 LEU A 80 59.776 20.794 51.701 1.00 0.00 H new ATOM 0 HG LEU A 80 58.856 19.875 54.001 1.00 0.00 H new ATOM 0 HD11 LEU A 80 57.354 17.916 53.688 1.00 0.00 H new ATOM 0 HD12 LEU A 80 56.560 19.446 53.244 1.00 0.00 H new ATOM 0 HD13 LEU A 80 57.164 18.356 51.974 1.00 0.00 H new ATOM 0 HD21 LEU A 80 59.739 17.619 53.425 1.00 0.00 H new ATOM 0 HD22 LEU A 80 59.669 18.051 51.700 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.772 18.923 52.791 1.00 0.00 H new ATOM 1207 N ARG A 81 60.229 22.462 53.886 1.00 0.00 N ATOM 1208 CA ARG A 81 61.262 23.290 54.518 1.00 0.00 C ATOM 1209 C ARG A 81 62.533 22.509 54.843 1.00 0.00 C ATOM 1210 O ARG A 81 62.487 21.294 55.035 1.00 0.00 O ATOM 1211 CB ARG A 81 60.706 23.988 55.771 1.00 0.00 C ATOM 1212 CG ARG A 81 59.564 23.286 56.532 1.00 0.00 C ATOM 1213 CD ARG A 81 58.220 23.963 56.225 1.00 0.00 C ATOM 1214 NE ARG A 81 57.094 23.380 56.984 1.00 0.00 N ATOM 1215 CZ ARG A 81 55.904 23.927 57.156 1.00 0.00 C ATOM 1216 NH1 ARG A 81 55.555 25.025 56.556 1.00 0.00 N ATOM 1217 NH2 ARG A 81 55.012 23.397 57.935 1.00 0.00 N ATOM 0 H ARG A 81 60.290 21.481 54.160 1.00 0.00 H new ATOM 0 HA ARG A 81 61.547 24.049 53.790 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.532 24.137 56.467 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.355 24.977 55.477 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.522 22.234 56.248 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.759 23.319 57.604 1.00 0.00 H new ATOM 0 HD2 ARG A 81 58.294 25.026 56.454 1.00 0.00 H new ATOM 0 HD3 ARG A 81 58.013 23.881 55.158 1.00 0.00 H new ATOM 0 HE ARG A 81 57.250 22.469 57.416 1.00 0.00 H new ATOM 0 HH11 ARG A 81 56.209 25.493 55.928 1.00 0.00 H new ATOM 0 HH12 ARG A 81 54.627 25.419 56.713 1.00 0.00 H new ATOM 0 HH21 ARG A 81 55.221 22.533 58.436 1.00 0.00 H new ATOM 0 HH22 ARG A 81 54.102 23.844 58.047 1.00 0.00 H new ATOM 1231 N ARG A 82 63.644 23.239 54.927 1.00 0.00 N ATOM 1232 CA ARG A 82 65.013 22.797 55.195 1.00 0.00 C ATOM 1233 C ARG A 82 65.746 23.964 55.855 1.00 0.00 C ATOM 1234 O ARG A 82 65.863 25.041 55.286 1.00 0.00 O ATOM 1235 CB ARG A 82 65.668 22.345 53.880 1.00 0.00 C ATOM 1236 CG ARG A 82 66.765 21.295 54.092 1.00 0.00 C ATOM 1237 CD ARG A 82 67.920 21.808 54.946 1.00 0.00 C ATOM 1238 NE ARG A 82 69.112 20.939 54.859 1.00 0.00 N ATOM 1239 CZ ARG A 82 70.148 21.106 54.051 1.00 0.00 C ATOM 1240 NH1 ARG A 82 70.283 22.127 53.259 1.00 0.00 N ATOM 1241 NH2 ARG A 82 71.111 20.232 53.994 1.00 0.00 N ATOM 0 H ARG A 82 63.605 24.250 54.797 1.00 0.00 H new ATOM 0 HA ARG A 82 65.046 21.941 55.868 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.903 21.936 53.220 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.094 23.212 53.375 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.332 20.415 54.567 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.149 20.978 53.123 1.00 0.00 H new ATOM 0 HD2 ARG A 82 68.184 22.816 54.627 1.00 0.00 H new ATOM 0 HD3 ARG A 82 67.598 21.876 55.985 1.00 0.00 H new ATOM 0 HE ARG A 82 69.140 20.132 55.482 1.00 0.00 H new ATOM 0 HH11 ARG A 82 69.568 22.854 53.238 1.00 0.00 H new ATOM 0 HH12 ARG A 82 71.104 22.202 52.658 1.00 0.00 H new ATOM 0 HH21 ARG A 82 71.077 19.397 54.579 1.00 0.00 H new ATOM 0 HH22 ARG A 82 71.899 20.382 53.364 1.00 0.00 H new ATOM 1255 N LEU A 83 66.210 23.767 57.080 1.00 0.00 N ATOM 1256 CA LEU A 83 67.007 24.765 57.792 1.00 0.00 C ATOM 1257 C LEU A 83 68.437 24.827 57.251 1.00 0.00 C ATOM 1258 O LEU A 83 69.005 23.824 56.823 1.00 0.00 O ATOM 1259 CB LEU A 83 67.029 24.546 59.308 1.00 0.00 C ATOM 1260 CG LEU A 83 65.807 25.048 60.085 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.496 24.372 59.679 1.00 0.00 C ATOM 1262 CD2 LEU A 83 66.008 24.830 61.586 1.00 0.00 C ATOM 0 H LEU A 83 66.047 22.912 57.612 1.00 0.00 H new ATOM 0 HA LEU A 83 66.515 25.721 57.610 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.140 23.478 59.498 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.916 25.035 59.711 1.00 0.00 H new ATOM 0 HG LEU A 83 65.724 26.107 59.843 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.677 24.780 60.272 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.304 24.555 58.622 1.00 0.00 H new ATOM 0 HD13 LEU A 83 64.571 23.299 59.853 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.133 25.191 62.126 1.00 0.00 H new ATOM 0 HD22 LEU A 83 66.144 23.767 61.784 1.00 0.00 H new ATOM 0 HD23 LEU A 83 66.890 25.377 61.918 1.00 0.00 H new ATOM 1274 N ASP A 84 69.035 26.008 57.332 1.00 0.00 N ATOM 1275 CA ASP A 84 70.361 26.279 56.763 1.00 0.00 C ATOM 1276 C ASP A 84 71.226 27.093 57.731 1.00 0.00 C ATOM 1277 O ASP A 84 71.126 28.313 57.816 1.00 0.00 O ATOM 1278 CB ASP A 84 70.197 26.957 55.395 1.00 0.00 C ATOM 1279 CG ASP A 84 71.475 26.924 54.553 1.00 0.00 C ATOM 1280 OD1 ASP A 84 72.599 26.852 55.108 1.00 0.00 O ATOM 1281 OD2 ASP A 84 71.326 26.948 53.305 1.00 0.00 O ATOM 0 H ASP A 84 68.616 26.814 57.796 1.00 0.00 H new ATOM 0 HA ASP A 84 70.892 25.339 56.610 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.394 26.465 54.846 1.00 0.00 H new ATOM 0 HB3 ASP A 84 69.893 27.993 55.544 1.00 0.00 H new ATOM 1286 N THR A 85 72.074 26.404 58.496 1.00 0.00 N ATOM 1287 CA THR A 85 73.033 27.010 59.440 1.00 0.00 C ATOM 1288 C THR A 85 74.484 26.839 58.981 1.00 0.00 C ATOM 1289 O THR A 85 75.431 26.872 59.768 1.00 0.00 O ATOM 1290 CB THR A 85 72.768 26.508 60.869 1.00 0.00 C ATOM 1291 OG1 THR A 85 73.497 27.264 61.804 1.00 0.00 O ATOM 1292 CG2 THR A 85 73.066 25.026 61.088 1.00 0.00 C ATOM 0 H THR A 85 72.119 25.385 58.481 1.00 0.00 H new ATOM 0 HA THR A 85 72.874 28.088 59.453 1.00 0.00 H new ATOM 0 HB THR A 85 71.696 26.636 61.016 1.00 0.00 H new ATOM 0 HG1 THR A 85 74.407 27.409 61.470 1.00 0.00 H new ATOM 0 HG21 THR A 85 72.850 24.761 62.123 1.00 0.00 H new ATOM 0 HG22 THR A 85 72.444 24.428 60.423 1.00 0.00 H new ATOM 0 HG23 THR A 85 74.117 24.831 60.875 1.00 0.00 H new ATOM 1300 N SER A 86 74.682 26.617 57.683 1.00 0.00 N ATOM 1301 CA SER A 86 75.936 26.059 57.137 1.00 0.00 C ATOM 1302 C SER A 86 77.003 27.110 56.816 1.00 0.00 C ATOM 1303 O SER A 86 78.162 26.799 56.551 1.00 0.00 O ATOM 1304 CB SER A 86 75.649 25.128 55.957 1.00 0.00 C ATOM 1305 OG SER A 86 76.633 24.112 55.905 1.00 0.00 O ATOM 0 H SER A 86 73.980 26.817 56.971 1.00 0.00 H new ATOM 0 HA SER A 86 76.380 25.464 57.935 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.659 24.685 56.063 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.647 25.694 55.026 1.00 0.00 H new ATOM 0 HG SER A 86 76.448 23.515 55.150 1.00 0.00 H new ATOM 1311 N LEU A 87 76.604 28.372 56.957 1.00 0.00 N ATOM 1312 CA LEU A 87 77.464 29.559 57.032 1.00 0.00 C ATOM 1313 C LEU A 87 77.696 30.005 58.492 1.00 0.00 C ATOM 1314 O LEU A 87 78.102 31.136 58.760 1.00 0.00 O ATOM 1315 CB LEU A 87 76.884 30.673 56.138 1.00 0.00 C ATOM 1316 CG LEU A 87 76.586 30.263 54.685 1.00 0.00 C ATOM 1317 CD1 LEU A 87 75.962 31.429 53.921 1.00 0.00 C ATOM 1318 CD2 LEU A 87 77.826 29.809 53.921 1.00 0.00 C ATOM 0 H LEU A 87 75.615 28.611 57.026 1.00 0.00 H new ATOM 0 HA LEU A 87 78.454 29.312 56.649 1.00 0.00 H new ATOM 0 HB2 LEU A 87 75.962 31.037 56.592 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.585 31.508 56.126 1.00 0.00 H new ATOM 0 HG LEU A 87 75.898 29.420 54.750 1.00 0.00 H new ATOM 0 HD11 LEU A 87 75.757 31.124 52.895 1.00 0.00 H new ATOM 0 HD12 LEU A 87 75.031 31.724 54.405 1.00 0.00 H new ATOM 0 HD13 LEU A 87 76.652 32.273 53.917 1.00 0.00 H new ATOM 0 HD21 LEU A 87 77.546 29.534 52.904 1.00 0.00 H new ATOM 0 HD22 LEU A 87 78.552 30.621 53.891 1.00 0.00 H new ATOM 0 HD23 LEU A 87 78.266 28.947 54.422 1.00 0.00 H new ATOM 1330 N GLY A 88 77.360 29.134 59.447 1.00 0.00 N ATOM 1331 CA GLY A 88 77.444 29.366 60.896 1.00 0.00 C ATOM 1332 C GLY A 88 76.299 30.188 61.494 1.00 0.00 C ATOM 1333 O GLY A 88 76.232 30.377 62.705 1.00 0.00 O ATOM 0 H GLY A 88 77.005 28.204 59.223 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.478 28.400 61.401 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.385 29.872 61.112 1.00 0.00 H new ATOM 1337 N CYS A 89 75.399 30.678 60.641 1.00 0.00 N ATOM 1338 CA CYS A 89 74.292 31.565 61.001 1.00 0.00 C ATOM 1339 C CYS A 89 72.957 30.938 60.558 1.00 0.00 C ATOM 1340 O CYS A 89 72.724 30.845 59.346 1.00 0.00 O ATOM 1341 CB CYS A 89 74.557 32.936 60.366 1.00 0.00 C ATOM 1342 SG CYS A 89 73.243 34.098 60.833 1.00 0.00 S ATOM 0 H CYS A 89 75.421 30.460 59.645 1.00 0.00 H new ATOM 0 HA CYS A 89 74.221 31.701 62.080 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.524 33.317 60.693 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.602 32.841 59.281 1.00 0.00 H new ATOM 0 HG CYS A 89 73.476 35.257 60.293 1.00 0.00 H new ATOM 1348 N PRO A 90 72.104 30.470 61.495 1.00 0.00 N ATOM 1349 CA PRO A 90 70.965 29.615 61.178 1.00 0.00 C ATOM 1350 C PRO A 90 69.811 30.370 60.530 1.00 0.00 C ATOM 1351 O PRO A 90 69.281 31.347 61.064 1.00 0.00 O ATOM 1352 CB PRO A 90 70.521 28.981 62.496 1.00 0.00 C ATOM 1353 CG PRO A 90 70.965 30.002 63.542 1.00 0.00 C ATOM 1354 CD PRO A 90 72.256 30.561 62.942 1.00 0.00 C ATOM 0 HA PRO A 90 71.265 28.867 60.444 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.443 28.820 62.522 1.00 0.00 H new ATOM 0 HB3 PRO A 90 70.992 28.011 62.655 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.217 30.781 63.690 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.138 29.538 64.513 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.415 31.594 63.253 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.121 29.990 63.279 1.00 0.00 H new ATOM 1362 N ARG A 91 69.409 29.863 59.370 1.00 0.00 N ATOM 1363 CA ARG A 91 68.304 30.335 58.534 1.00 0.00 C ATOM 1364 C ARG A 91 67.240 29.239 58.409 1.00 0.00 C ATOM 1365 O ARG A 91 67.501 28.064 58.671 1.00 0.00 O ATOM 1366 CB ARG A 91 68.815 30.755 57.137 1.00 0.00 C ATOM 1367 CG ARG A 91 70.053 31.669 57.105 1.00 0.00 C ATOM 1368 CD ARG A 91 69.965 32.811 58.130 1.00 0.00 C ATOM 1369 NE ARG A 91 70.874 33.959 57.916 1.00 0.00 N ATOM 1370 CZ ARG A 91 72.083 33.998 57.384 1.00 0.00 C ATOM 1371 NH1 ARG A 91 72.807 32.952 57.115 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.613 35.144 57.087 1.00 0.00 N ATOM 0 H ARG A 91 69.877 29.056 58.958 1.00 0.00 H new ATOM 0 HA ARG A 91 67.857 31.209 59.007 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.043 29.852 56.571 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.003 31.262 56.615 1.00 0.00 H new ATOM 0 HG2 ARG A 91 70.945 31.075 57.303 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.165 32.089 56.106 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.941 33.183 58.139 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.163 32.398 59.119 1.00 0.00 H new ATOM 0 HE ARG A 91 70.511 34.860 58.227 1.00 0.00 H new ATOM 0 HH11 ARG A 91 72.449 32.018 57.315 1.00 0.00 H new ATOM 0 HH12 ARG A 91 73.733 33.065 56.703 1.00 0.00 H new ATOM 0 HH21 ARG A 91 72.097 36.006 57.264 1.00 0.00 H new ATOM 0 HH22 ARG A 91 73.546 35.183 56.676 1.00 0.00 H new ATOM 1386 N MET A 92 66.064 29.618 57.929 1.00 0.00 N ATOM 1387 CA MET A 92 64.984 28.721 57.529 1.00 0.00 C ATOM 1388 C MET A 92 64.735 28.918 56.034 1.00 0.00 C ATOM 1389 O MET A 92 64.482 30.029 55.572 1.00 0.00 O ATOM 1390 CB MET A 92 63.731 29.004 58.368 1.00 0.00 C ATOM 1391 CG MET A 92 63.179 27.778 59.082 1.00 0.00 C ATOM 1392 SD MET A 92 62.246 26.653 58.006 1.00 0.00 S ATOM 1393 CE MET A 92 61.054 26.028 59.221 1.00 0.00 C ATOM 0 H MET A 92 65.824 30.601 57.801 1.00 0.00 H new ATOM 0 HA MET A 92 65.253 27.680 57.706 1.00 0.00 H new ATOM 0 HB2 MET A 92 63.966 29.769 59.108 1.00 0.00 H new ATOM 0 HB3 MET A 92 62.957 29.415 57.720 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.006 27.230 59.533 1.00 0.00 H new ATOM 0 HG3 MET A 92 62.532 28.105 59.896 1.00 0.00 H new ATOM 0 HE1 MET A 92 60.580 25.126 58.835 1.00 0.00 H new ATOM 0 HE2 MET A 92 61.571 25.796 60.152 1.00 0.00 H new ATOM 0 HE3 MET A 92 60.293 26.786 59.407 1.00 0.00 H new ATOM 1403 N GLU A 93 64.836 27.851 55.258 1.00 0.00 N ATOM 1404 CA GLU A 93 64.663 27.877 53.804 1.00 0.00 C ATOM 1405 C GLU A 93 63.507 26.950 53.401 1.00 0.00 C ATOM 1406 O GLU A 93 63.297 25.890 53.997 1.00 0.00 O ATOM 1407 CB GLU A 93 66.044 27.628 53.177 1.00 0.00 C ATOM 1408 CG GLU A 93 66.107 27.348 51.675 1.00 0.00 C ATOM 1409 CD GLU A 93 67.574 27.416 51.224 1.00 0.00 C ATOM 1410 OE1 GLU A 93 68.125 28.540 51.178 1.00 0.00 O ATOM 1411 OE2 GLU A 93 68.214 26.370 50.965 1.00 0.00 O ATOM 0 H GLU A 93 65.044 26.922 55.623 1.00 0.00 H new ATOM 0 HA GLU A 93 64.339 28.839 53.408 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.666 28.499 53.381 1.00 0.00 H new ATOM 0 HB3 GLU A 93 66.499 26.783 53.694 1.00 0.00 H new ATOM 0 HG2 GLU A 93 65.689 26.365 51.456 1.00 0.00 H new ATOM 0 HG3 GLU A 93 65.509 28.078 51.129 1.00 0.00 H new ATOM 1418 N VAL A 94 62.664 27.398 52.465 1.00 0.00 N ATOM 1419 CA VAL A 94 61.362 26.783 52.182 1.00 0.00 C ATOM 1420 C VAL A 94 61.196 26.486 50.698 1.00 0.00 C ATOM 1421 O VAL A 94 61.678 27.218 49.830 1.00 0.00 O ATOM 1422 CB VAL A 94 60.166 27.578 52.750 1.00 0.00 C ATOM 1423 CG1 VAL A 94 60.350 27.925 54.235 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.831 28.884 52.020 1.00 0.00 C ATOM 0 H VAL A 94 62.868 28.206 51.876 1.00 0.00 H new ATOM 0 HA VAL A 94 61.357 25.832 52.715 1.00 0.00 H new ATOM 0 HB VAL A 94 59.337 26.887 52.599 1.00 0.00 H new ATOM 0 HG11 VAL A 94 59.483 28.484 54.588 1.00 0.00 H new ATOM 0 HG12 VAL A 94 60.450 27.007 54.814 1.00 0.00 H new ATOM 0 HG13 VAL A 94 61.247 28.531 54.359 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.977 29.361 52.501 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.690 29.554 52.060 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.588 28.667 50.980 1.00 0.00 H new ATOM 1434 N VAL A 95 60.500 25.389 50.413 1.00 0.00 N ATOM 1435 CA VAL A 95 60.296 24.924 49.029 1.00 0.00 C ATOM 1436 C VAL A 95 58.825 24.626 48.763 1.00 0.00 C ATOM 1437 O VAL A 95 58.156 23.993 49.583 1.00 0.00 O ATOM 1438 CB VAL A 95 61.206 23.727 48.660 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.659 23.928 49.117 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.750 22.377 49.230 1.00 0.00 C ATOM 0 H VAL A 95 60.063 24.798 51.120 1.00 0.00 H new ATOM 0 HA VAL A 95 60.595 25.741 48.372 1.00 0.00 H new ATOM 0 HB VAL A 95 61.133 23.698 47.573 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.253 23.059 48.833 1.00 0.00 H new ATOM 0 HG12 VAL A 95 63.070 24.819 48.643 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.686 24.048 50.200 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.446 21.598 48.921 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.726 22.431 50.318 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.753 22.142 48.856 1.00 0.00 H new ATOM 1450 N CYS A 96 58.328 25.011 47.589 1.00 0.00 N ATOM 1451 CA CYS A 96 57.103 24.465 47.063 1.00 0.00 C ATOM 1452 C CYS A 96 57.387 23.026 46.606 1.00 0.00 C ATOM 1453 O CYS A 96 57.944 22.750 45.545 1.00 0.00 O ATOM 1454 CB CYS A 96 56.555 25.389 45.980 1.00 0.00 C ATOM 1455 SG CYS A 96 54.929 24.768 45.519 1.00 0.00 S ATOM 0 H CYS A 96 58.769 25.707 46.987 1.00 0.00 H new ATOM 0 HA CYS A 96 56.314 24.409 47.813 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.485 26.413 46.347 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.219 25.405 45.116 1.00 0.00 H new ATOM 0 HG CYS A 96 54.683 25.073 44.279 1.00 0.00 H new ATOM 1460 N LYS A 97 57.028 22.093 47.478 1.00 0.00 N ATOM 1461 CA LYS A 97 56.957 20.655 47.188 1.00 0.00 C ATOM 1462 C LYS A 97 55.919 20.340 46.103 1.00 0.00 C ATOM 1463 O LYS A 97 56.012 19.276 45.491 1.00 0.00 O ATOM 1464 CB LYS A 97 56.816 19.894 48.519 1.00 0.00 C ATOM 1465 CG LYS A 97 56.362 18.425 48.456 1.00 0.00 C ATOM 1466 CD LYS A 97 54.833 18.286 48.541 1.00 0.00 C ATOM 1467 CE LYS A 97 54.401 16.819 48.663 1.00 0.00 C ATOM 1468 NZ LYS A 97 54.060 16.212 47.356 1.00 0.00 N ATOM 0 H LYS A 97 56.769 22.317 48.439 1.00 0.00 H new ATOM 0 HA LYS A 97 57.880 20.296 46.733 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.779 19.926 49.028 1.00 0.00 H new ATOM 0 HB3 LYS A 97 56.107 20.438 49.143 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.715 17.977 47.527 1.00 0.00 H new ATOM 0 HG3 LYS A 97 56.822 17.869 49.273 1.00 0.00 H new ATOM 0 HD2 LYS A 97 54.464 18.846 49.400 1.00 0.00 H new ATOM 0 HD3 LYS A 97 54.378 18.727 47.654 1.00 0.00 H new ATOM 0 HE2 LYS A 97 55.204 16.246 49.127 1.00 0.00 H new ATOM 0 HE3 LYS A 97 53.538 16.753 49.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.775 15.222 47.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 53.276 16.739 46.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 54.889 16.248 46.730 1.00 0.00 H new ATOM 1482 N GLN A 98 54.992 21.247 45.787 1.00 0.00 N ATOM 1483 CA GLN A 98 54.076 21.068 44.674 1.00 0.00 C ATOM 1484 C GLN A 98 54.747 21.193 43.299 1.00 0.00 C ATOM 1485 O GLN A 98 54.504 20.336 42.440 1.00 0.00 O ATOM 1486 CB GLN A 98 52.835 21.965 44.749 1.00 0.00 C ATOM 1487 CG GLN A 98 52.073 21.907 46.072 1.00 0.00 C ATOM 1488 CD GLN A 98 50.627 22.338 45.880 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.270 23.503 45.941 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.721 21.420 45.623 1.00 0.00 N ATOM 0 H GLN A 98 54.861 22.120 46.297 1.00 0.00 H new ATOM 0 HA GLN A 98 53.739 20.037 44.779 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.139 22.996 44.568 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.155 21.687 43.944 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.105 20.893 46.472 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.556 22.554 46.804 1.00 0.00 H new ATOM 0 HE21 GLN A 98 49.992 20.438 45.566 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.748 21.690 45.480 1.00 0.00 H new ATOM 1499 N CYS A 99 55.582 22.221 43.131 1.00 0.00 N ATOM 1500 CA CYS A 99 56.167 22.685 41.875 1.00 0.00 C ATOM 1501 C CYS A 99 57.722 22.742 41.843 1.00 0.00 C ATOM 1502 O CYS A 99 58.297 23.249 40.878 1.00 0.00 O ATOM 1503 CB CYS A 99 55.520 24.040 41.537 1.00 0.00 C ATOM 1504 SG CYS A 99 55.407 25.181 42.940 1.00 0.00 S ATOM 0 H CYS A 99 55.886 22.788 43.923 1.00 0.00 H new ATOM 0 HA CYS A 99 55.946 21.943 41.108 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.094 24.516 40.742 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.518 23.864 41.145 1.00 0.00 H new ATOM 0 HG CYS A 99 55.407 24.505 44.050 1.00 0.00 H new ATOM 1509 N GLU A 100 58.397 22.209 42.861 1.00 0.00 N ATOM 1510 CA GLU A 100 59.860 22.222 43.053 1.00 0.00 C ATOM 1511 C GLU A 100 60.477 23.629 43.256 1.00 0.00 C ATOM 1512 O GLU A 100 61.695 23.796 43.166 1.00 0.00 O ATOM 1513 CB GLU A 100 60.567 21.376 41.974 1.00 0.00 C ATOM 1514 CG GLU A 100 60.231 19.888 42.104 1.00 0.00 C ATOM 1515 CD GLU A 100 60.471 19.105 40.803 1.00 0.00 C ATOM 1516 OE1 GLU A 100 61.399 19.438 40.019 1.00 0.00 O ATOM 1517 OE2 GLU A 100 59.681 18.176 40.506 1.00 0.00 O ATOM 0 H GLU A 100 57.917 21.727 43.621 1.00 0.00 H new ATOM 0 HA GLU A 100 60.046 21.740 44.013 1.00 0.00 H new ATOM 0 HB2 GLU A 100 60.273 21.729 40.986 1.00 0.00 H new ATOM 0 HB3 GLU A 100 61.645 21.513 42.054 1.00 0.00 H new ATOM 0 HG2 GLU A 100 60.834 19.453 42.901 1.00 0.00 H new ATOM 0 HG3 GLU A 100 59.187 19.781 42.399 1.00 0.00 H new ATOM 1524 N ALA A 101 59.671 24.655 43.561 1.00 0.00 N ATOM 1525 CA ALA A 101 60.133 26.043 43.676 1.00 0.00 C ATOM 1526 C ALA A 101 60.913 26.313 44.985 1.00 0.00 C ATOM 1527 O ALA A 101 60.384 26.820 45.977 1.00 0.00 O ATOM 1528 CB ALA A 101 58.947 26.995 43.447 1.00 0.00 C ATOM 0 H ALA A 101 58.672 24.543 43.736 1.00 0.00 H new ATOM 0 HA ALA A 101 60.868 26.236 42.895 1.00 0.00 H new ATOM 0 HB1 ALA A 101 59.287 28.027 43.532 1.00 0.00 H new ATOM 0 HB2 ALA A 101 58.535 26.830 42.452 1.00 0.00 H new ATOM 0 HB3 ALA A 101 58.177 26.804 44.195 1.00 0.00 H new ATOM 1534 N HIS A 102 62.210 25.995 44.984 1.00 0.00 N ATOM 1535 CA HIS A 102 63.139 26.141 46.114 1.00 0.00 C ATOM 1536 C HIS A 102 63.727 27.564 46.259 1.00 0.00 C ATOM 1537 O HIS A 102 64.937 27.791 46.161 1.00 0.00 O ATOM 1538 CB HIS A 102 64.184 25.017 46.024 1.00 0.00 C ATOM 1539 CG HIS A 102 64.988 24.986 44.741 1.00 0.00 C ATOM 1540 ND1 HIS A 102 66.003 25.852 44.409 1.00 0.00 N ATOM 1541 CD2 HIS A 102 64.856 24.108 43.698 1.00 0.00 C ATOM 1542 CE1 HIS A 102 66.476 25.514 43.201 1.00 0.00 C ATOM 1543 NE2 HIS A 102 65.802 24.452 42.718 1.00 0.00 N ATOM 0 H HIS A 102 62.666 25.610 44.157 1.00 0.00 H new ATOM 0 HA HIS A 102 62.593 26.026 47.050 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.873 25.115 46.863 1.00 0.00 H new ATOM 0 HB3 HIS A 102 63.675 24.060 46.139 1.00 0.00 H new ATOM 0 HD1 HIS A 102 66.340 26.623 44.986 1.00 0.00 H new ATOM 0 HD2 HIS A 102 64.149 23.294 43.639 1.00 0.00 H new ATOM 0 HE1 HIS A 102 67.281 26.020 42.689 1.00 0.00 H new ATOM 1551 N LEU A 103 62.844 28.554 46.413 1.00 0.00 N ATOM 1552 CA LEU A 103 63.165 29.983 46.207 1.00 0.00 C ATOM 1553 C LEU A 103 62.593 30.983 47.230 1.00 0.00 C ATOM 1554 O LEU A 103 62.689 32.196 47.033 1.00 0.00 O ATOM 1555 CB LEU A 103 62.873 30.355 44.753 1.00 0.00 C ATOM 1556 CG LEU A 103 61.498 29.971 44.209 1.00 0.00 C ATOM 1557 CD1 LEU A 103 60.322 30.638 44.915 1.00 0.00 C ATOM 1558 CD2 LEU A 103 61.503 30.367 42.748 1.00 0.00 C ATOM 0 H LEU A 103 61.875 28.393 46.687 1.00 0.00 H new ATOM 0 HA LEU A 103 64.231 30.084 46.409 1.00 0.00 H new ATOM 0 HB2 LEU A 103 62.992 31.433 44.647 1.00 0.00 H new ATOM 0 HB3 LEU A 103 63.630 29.888 44.124 1.00 0.00 H new ATOM 0 HG LEU A 103 61.349 28.904 44.373 1.00 0.00 H new ATOM 0 HD11 LEU A 103 59.389 30.305 44.461 1.00 0.00 H new ATOM 0 HD12 LEU A 103 60.329 30.366 45.970 1.00 0.00 H new ATOM 0 HD13 LEU A 103 60.406 31.720 44.819 1.00 0.00 H new ATOM 0 HD21 LEU A 103 60.541 30.117 42.300 1.00 0.00 H new ATOM 0 HD22 LEU A 103 61.675 31.440 42.662 1.00 0.00 H new ATOM 0 HD23 LEU A 103 62.296 29.830 42.228 1.00 0.00 H new ATOM 1570 N GLY A 104 61.994 30.481 48.307 1.00 0.00 N ATOM 1571 CA GLY A 104 61.589 31.229 49.490 1.00 0.00 C ATOM 1572 C GLY A 104 62.516 30.932 50.667 1.00 0.00 C ATOM 1573 O GLY A 104 62.860 29.783 50.929 1.00 0.00 O ATOM 0 H GLY A 104 61.767 29.489 48.380 1.00 0.00 H new ATOM 0 HA2 GLY A 104 61.602 32.297 49.272 1.00 0.00 H new ATOM 0 HA3 GLY A 104 60.564 30.971 49.755 1.00 0.00 H new ATOM 1577 N HIS A 105 62.932 31.964 51.391 1.00 0.00 N ATOM 1578 CA HIS A 105 63.851 31.837 52.524 1.00 0.00 C ATOM 1579 C HIS A 105 63.599 32.933 53.574 1.00 0.00 C ATOM 1580 O HIS A 105 63.076 34.004 53.273 1.00 0.00 O ATOM 1581 CB HIS A 105 65.337 31.835 52.084 1.00 0.00 C ATOM 1582 CG HIS A 105 65.680 31.534 50.635 1.00 0.00 C ATOM 1583 ND1 HIS A 105 66.592 30.611 50.170 1.00 0.00 N ATOM 1584 CD2 HIS A 105 65.222 32.207 49.537 1.00 0.00 C ATOM 1585 CE1 HIS A 105 66.645 30.703 48.832 1.00 0.00 C ATOM 1586 NE2 HIS A 105 65.832 31.679 48.391 1.00 0.00 N ATOM 0 H HIS A 105 62.640 32.924 51.209 1.00 0.00 H new ATOM 0 HA HIS A 105 63.648 30.868 52.980 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.751 32.815 52.323 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.862 31.108 52.703 1.00 0.00 H new ATOM 0 HD1 HIS A 105 67.135 29.967 50.745 1.00 0.00 H new ATOM 0 HD2 HIS A 105 64.506 33.015 49.550 1.00 0.00 H new ATOM 0 HE1 HIS A 105 67.256 30.079 48.197 1.00 0.00 H new ATOM 1594 N VAL A 106 64.005 32.682 54.814 1.00 0.00 N ATOM 1595 CA VAL A 106 63.841 33.578 55.968 1.00 0.00 C ATOM 1596 C VAL A 106 65.041 33.504 56.909 1.00 0.00 C ATOM 1597 O VAL A 106 65.616 32.447 57.175 1.00 0.00 O ATOM 1598 CB VAL A 106 62.492 33.351 56.689 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.224 31.898 57.072 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.306 34.175 57.968 1.00 0.00 C ATOM 0 H VAL A 106 64.479 31.813 55.060 1.00 0.00 H new ATOM 0 HA VAL A 106 63.809 34.600 55.590 1.00 0.00 H new ATOM 0 HB VAL A 106 61.785 33.680 55.928 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.258 31.826 57.573 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.214 31.281 56.174 1.00 0.00 H new ATOM 0 HG13 VAL A 106 63.008 31.548 57.744 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.333 33.952 58.406 1.00 0.00 H new ATOM 0 HG22 VAL A 106 63.091 33.923 58.681 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.361 35.237 57.728 1.00 0.00 H new ATOM 1610 N PHE A 107 65.448 34.681 57.373 1.00 0.00 N ATOM 1611 CA PHE A 107 66.676 34.903 58.134 1.00 0.00 C ATOM 1612 C PHE A 107 66.506 35.926 59.269 1.00 0.00 C ATOM 1613 O PHE A 107 65.740 36.878 59.116 1.00 0.00 O ATOM 1614 CB PHE A 107 67.775 35.374 57.163 1.00 0.00 C ATOM 1615 CG PHE A 107 67.426 36.595 56.328 1.00 0.00 C ATOM 1616 CD1 PHE A 107 67.671 37.893 56.820 1.00 0.00 C ATOM 1617 CD2 PHE A 107 66.841 36.431 55.058 1.00 0.00 C ATOM 1618 CE1 PHE A 107 67.316 39.018 56.053 1.00 0.00 C ATOM 1619 CE2 PHE A 107 66.493 37.555 54.290 1.00 0.00 C ATOM 1620 CZ PHE A 107 66.728 38.849 54.788 1.00 0.00 C ATOM 0 H PHE A 107 64.914 35.538 57.225 1.00 0.00 H new ATOM 0 HA PHE A 107 66.949 33.961 58.609 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.675 35.593 57.738 1.00 0.00 H new ATOM 0 HB3 PHE A 107 68.019 34.552 56.490 1.00 0.00 H new ATOM 0 HD1 PHE A 107 68.132 38.024 57.788 1.00 0.00 H new ATOM 0 HD2 PHE A 107 66.659 35.438 54.673 1.00 0.00 H new ATOM 0 HE1 PHE A 107 67.495 40.011 56.437 1.00 0.00 H new ATOM 0 HE2 PHE A 107 66.045 37.425 53.316 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.457 39.712 54.199 1.00 0.00 H new ATOM 1630 N PRO A 108 67.257 35.798 60.381 1.00 0.00 N ATOM 1631 CA PRO A 108 67.527 36.915 61.279 1.00 0.00 C ATOM 1632 C PRO A 108 68.595 37.836 60.667 1.00 0.00 C ATOM 1633 O PRO A 108 69.523 37.362 60.009 1.00 0.00 O ATOM 1634 CB PRO A 108 68.018 36.264 62.576 1.00 0.00 C ATOM 1635 CG PRO A 108 68.762 35.019 62.085 1.00 0.00 C ATOM 1636 CD PRO A 108 68.063 34.645 60.773 1.00 0.00 C ATOM 0 HA PRO A 108 66.651 37.539 61.455 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.674 36.930 63.137 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.189 36.004 63.234 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.820 35.226 61.926 1.00 0.00 H new ATOM 0 HG3 PRO A 108 68.702 34.209 62.812 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.794 34.404 60.001 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.437 33.763 60.906 1.00 0.00 H new ATOM 1644 N ASP A 109 68.497 39.144 60.917 1.00 0.00 N ATOM 1645 CA ASP A 109 69.539 40.128 60.543 1.00 0.00 C ATOM 1646 C ASP A 109 70.246 40.788 61.739 1.00 0.00 C ATOM 1647 O ASP A 109 70.977 41.771 61.598 1.00 0.00 O ATOM 1648 CB ASP A 109 68.975 41.129 59.538 1.00 0.00 C ATOM 1649 CG ASP A 109 67.956 42.096 60.136 1.00 0.00 C ATOM 1650 OD1 ASP A 109 66.775 41.713 60.230 1.00 0.00 O ATOM 1651 OD2 ASP A 109 68.306 43.262 60.423 1.00 0.00 O ATOM 0 H ASP A 109 67.693 39.561 61.386 1.00 0.00 H new ATOM 0 HA ASP A 109 70.343 39.577 60.056 1.00 0.00 H new ATOM 0 HB2 ASP A 109 69.797 41.702 59.110 1.00 0.00 H new ATOM 0 HB3 ASP A 109 68.506 40.583 58.719 1.00 0.00 H new ATOM 1656 N GLY A 110 70.036 40.229 62.927 1.00 0.00 N ATOM 1657 CA GLY A 110 70.717 40.622 64.166 1.00 0.00 C ATOM 1658 C GLY A 110 70.099 40.058 65.455 1.00 0.00 C ATOM 1659 O GLY A 110 70.760 39.273 66.138 1.00 0.00 O ATOM 0 H GLY A 110 69.370 39.469 63.063 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.757 40.300 64.109 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.723 41.710 64.230 1.00 0.00 H new ATOM 1663 N PRO A 111 68.853 40.434 65.813 1.00 0.00 N ATOM 1664 CA PRO A 111 68.220 40.068 67.088 1.00 0.00 C ATOM 1665 C PRO A 111 67.732 38.605 67.132 1.00 0.00 C ATOM 1666 O PRO A 111 67.998 37.816 66.221 1.00 0.00 O ATOM 1667 CB PRO A 111 67.079 41.084 67.245 1.00 0.00 C ATOM 1668 CG PRO A 111 66.648 41.338 65.803 1.00 0.00 C ATOM 1669 CD PRO A 111 67.978 41.326 65.057 1.00 0.00 C ATOM 0 HA PRO A 111 68.927 40.110 67.917 1.00 0.00 H new ATOM 0 HB2 PRO A 111 66.262 40.685 67.846 1.00 0.00 H new ATOM 0 HB3 PRO A 111 67.417 41.998 67.733 1.00 0.00 H new ATOM 0 HG2 PRO A 111 65.971 40.565 65.439 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.130 42.291 65.696 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.849 40.972 64.034 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.401 42.329 64.996 1.00 0.00 H new ATOM 1677 N LYS A 112 67.010 38.234 68.203 1.00 0.00 N ATOM 1678 CA LYS A 112 66.303 36.942 68.349 1.00 0.00 C ATOM 1679 C LYS A 112 65.422 36.609 67.126 1.00 0.00 C ATOM 1680 O LYS A 112 65.025 37.522 66.399 1.00 0.00 O ATOM 1681 CB LYS A 112 65.441 36.953 69.636 1.00 0.00 C ATOM 1682 CG LYS A 112 66.087 36.165 70.788 1.00 0.00 C ATOM 1683 CD LYS A 112 67.311 36.846 71.397 1.00 0.00 C ATOM 1684 CE LYS A 112 66.870 37.967 72.343 1.00 0.00 C ATOM 1685 NZ LYS A 112 67.998 38.838 72.728 1.00 0.00 N ATOM 0 H LYS A 112 66.896 38.839 69.016 1.00 0.00 H new ATOM 0 HA LYS A 112 67.063 36.164 68.419 1.00 0.00 H new ATOM 0 HB2 LYS A 112 65.279 37.984 69.952 1.00 0.00 H new ATOM 0 HB3 LYS A 112 64.461 36.530 69.416 1.00 0.00 H new ATOM 0 HG2 LYS A 112 65.344 36.010 71.570 1.00 0.00 H new ATOM 0 HG3 LYS A 112 66.376 35.179 70.423 1.00 0.00 H new ATOM 0 HD2 LYS A 112 67.911 36.116 71.940 1.00 0.00 H new ATOM 0 HD3 LYS A 112 67.942 37.253 70.607 1.00 0.00 H new ATOM 0 HE2 LYS A 112 66.097 38.566 71.861 1.00 0.00 H new ATOM 0 HE3 LYS A 112 66.425 37.533 73.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 67.658 39.584 73.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 68.725 38.272 73.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 68.407 39.273 71.877 1.00 0.00 H new ATOM 1699 N PRO A 113 64.993 35.342 66.933 1.00 0.00 N ATOM 1700 CA PRO A 113 64.055 34.966 65.869 1.00 0.00 C ATOM 1701 C PRO A 113 62.681 35.669 65.952 1.00 0.00 C ATOM 1702 O PRO A 113 61.912 35.628 64.999 1.00 0.00 O ATOM 1703 CB PRO A 113 63.950 33.438 65.912 1.00 0.00 C ATOM 1704 CG PRO A 113 64.331 33.086 67.346 1.00 0.00 C ATOM 1705 CD PRO A 113 65.352 34.163 67.708 1.00 0.00 C ATOM 0 HA PRO A 113 64.435 35.308 64.906 1.00 0.00 H new ATOM 0 HB2 PRO A 113 62.942 33.100 65.672 1.00 0.00 H new ATOM 0 HB3 PRO A 113 64.623 32.971 65.193 1.00 0.00 H new ATOM 0 HG2 PRO A 113 63.467 33.110 68.010 1.00 0.00 H new ATOM 0 HG3 PRO A 113 64.758 32.086 67.415 1.00 0.00 H new ATOM 0 HD2 PRO A 113 65.329 34.378 68.776 1.00 0.00 H new ATOM 0 HD3 PRO A 113 66.364 33.835 67.471 1.00 0.00 H new ATOM 1713 N THR A 114 62.423 36.443 67.011 1.00 0.00 N ATOM 1714 CA THR A 114 61.350 37.456 67.124 1.00 0.00 C ATOM 1715 C THR A 114 61.591 38.696 66.228 1.00 0.00 C ATOM 1716 O THR A 114 61.047 39.771 66.478 1.00 0.00 O ATOM 1717 CB THR A 114 61.174 37.898 68.595 1.00 0.00 C ATOM 1718 OG1 THR A 114 61.601 36.908 69.513 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.718 38.197 68.950 1.00 0.00 C ATOM 0 H THR A 114 62.983 36.382 67.862 1.00 0.00 H new ATOM 0 HA THR A 114 60.437 36.977 66.771 1.00 0.00 H new ATOM 0 HB THR A 114 61.786 38.797 68.676 1.00 0.00 H new ATOM 0 HG1 THR A 114 61.472 37.233 70.428 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.653 38.503 69.994 1.00 0.00 H new ATOM 0 HG22 THR A 114 59.346 39.000 68.313 1.00 0.00 H new ATOM 0 HG23 THR A 114 59.115 37.302 68.796 1.00 0.00 H new ATOM 1727 N GLY A 115 62.468 38.574 65.225 1.00 0.00 N ATOM 1728 CA GLY A 115 62.967 39.654 64.369 1.00 0.00 C ATOM 1729 C GLY A 115 63.445 39.253 62.970 1.00 0.00 C ATOM 1730 O GLY A 115 64.238 39.972 62.374 1.00 0.00 O ATOM 0 H GLY A 115 62.870 37.670 64.976 1.00 0.00 H new ATOM 0 HA2 GLY A 115 62.176 40.396 64.259 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.793 40.143 64.884 1.00 0.00 H new ATOM 1734 N GLN A 116 63.043 38.086 62.472 1.00 0.00 N ATOM 1735 CA GLN A 116 63.403 37.593 61.136 1.00 0.00 C ATOM 1736 C GLN A 116 62.650 38.294 59.985 1.00 0.00 C ATOM 1737 O GLN A 116 61.577 38.867 60.185 1.00 0.00 O ATOM 1738 CB GLN A 116 63.200 36.077 61.079 1.00 0.00 C ATOM 1739 CG GLN A 116 64.024 35.401 62.172 1.00 0.00 C ATOM 1740 CD GLN A 116 64.388 33.953 61.915 1.00 0.00 C ATOM 1741 OE1 GLN A 116 63.790 33.217 61.146 1.00 0.00 O ATOM 1742 NE2 GLN A 116 65.414 33.484 62.578 1.00 0.00 N ATOM 0 H GLN A 116 62.447 37.442 62.992 1.00 0.00 H new ATOM 0 HA GLN A 116 64.454 37.837 60.982 1.00 0.00 H new ATOM 0 HB2 GLN A 116 62.144 35.838 61.207 1.00 0.00 H new ATOM 0 HB3 GLN A 116 63.497 35.698 60.101 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.944 35.969 62.313 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.469 35.457 63.108 1.00 0.00 H new ATOM 0 HE21 GLN A 116 65.923 34.088 63.224 1.00 0.00 H new ATOM 0 HE22 GLN A 116 65.705 32.515 62.449 1.00 0.00 H new ATOM 1751 N ARG A 117 63.175 38.192 58.754 1.00 0.00 N ATOM 1752 CA ARG A 117 62.575 38.705 57.511 1.00 0.00 C ATOM 1753 C ARG A 117 62.532 37.586 56.469 1.00 0.00 C ATOM 1754 O ARG A 117 63.533 36.901 56.267 1.00 0.00 O ATOM 1755 CB ARG A 117 63.374 39.905 56.960 1.00 0.00 C ATOM 1756 CG ARG A 117 63.830 40.933 58.011 1.00 0.00 C ATOM 1757 CD ARG A 117 64.461 42.155 57.327 1.00 0.00 C ATOM 1758 NE ARG A 117 65.256 42.952 58.275 1.00 0.00 N ATOM 1759 CZ ARG A 117 65.648 44.204 58.135 1.00 0.00 C ATOM 1760 NH1 ARG A 117 65.281 44.971 57.152 1.00 0.00 N ATOM 1761 NH2 ARG A 117 66.467 44.751 58.979 1.00 0.00 N ATOM 0 H ARG A 117 64.069 37.729 58.590 1.00 0.00 H new ATOM 0 HA ARG A 117 61.563 39.046 57.730 1.00 0.00 H new ATOM 0 HB2 ARG A 117 64.255 39.526 56.441 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.762 40.417 56.217 1.00 0.00 H new ATOM 0 HG2 ARG A 117 62.979 41.246 58.616 1.00 0.00 H new ATOM 0 HG3 ARG A 117 64.551 40.475 58.688 1.00 0.00 H new ATOM 0 HD2 ARG A 117 65.096 41.826 56.505 1.00 0.00 H new ATOM 0 HD3 ARG A 117 63.677 42.777 56.895 1.00 0.00 H new ATOM 0 HE ARG A 117 65.535 42.484 59.137 1.00 0.00 H new ATOM 0 HH11 ARG A 117 64.654 44.612 56.432 1.00 0.00 H new ATOM 0 HH12 ARG A 117 65.620 45.932 57.101 1.00 0.00 H new ATOM 0 HH21 ARG A 117 66.821 44.212 59.769 1.00 0.00 H new ATOM 0 HH22 ARG A 117 66.758 45.721 58.852 1.00 0.00 H new ATOM 1775 N PHE A 118 61.386 37.392 55.814 1.00 0.00 N ATOM 1776 CA PHE A 118 61.207 36.400 54.751 1.00 0.00 C ATOM 1777 C PHE A 118 61.302 37.079 53.383 1.00 0.00 C ATOM 1778 O PHE A 118 60.609 38.065 53.135 1.00 0.00 O ATOM 1779 CB PHE A 118 59.855 35.706 54.942 1.00 0.00 C ATOM 1780 CG PHE A 118 59.540 34.559 53.986 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.206 34.814 52.640 1.00 0.00 C ATOM 1782 CD2 PHE A 118 59.515 33.231 54.455 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.883 33.754 51.774 1.00 0.00 C ATOM 1784 CE2 PHE A 118 59.218 32.169 53.585 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.903 32.430 52.240 1.00 0.00 C ATOM 0 H PHE A 118 60.541 37.929 56.010 1.00 0.00 H new ATOM 0 HA PHE A 118 61.994 35.647 54.800 1.00 0.00 H new ATOM 0 HB2 PHE A 118 59.808 35.323 55.962 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.070 36.456 54.847 1.00 0.00 H new ATOM 0 HD1 PHE A 118 59.198 35.829 52.272 1.00 0.00 H new ATOM 0 HD2 PHE A 118 59.726 33.027 55.494 1.00 0.00 H new ATOM 0 HE1 PHE A 118 58.619 33.959 50.747 1.00 0.00 H new ATOM 0 HE2 PHE A 118 59.232 31.152 53.949 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.677 31.615 51.568 1.00 0.00 H new ATOM 1795 N CYS A 119 62.102 36.523 52.482 1.00 0.00 N ATOM 1796 CA CYS A 119 62.340 37.003 51.121 1.00 0.00 C ATOM 1797 C CYS A 119 62.108 35.863 50.118 1.00 0.00 C ATOM 1798 O CYS A 119 62.505 34.722 50.365 1.00 0.00 O ATOM 1799 CB CYS A 119 63.752 37.571 51.031 1.00 0.00 C ATOM 1800 SG CYS A 119 63.913 38.998 52.151 1.00 0.00 S ATOM 0 H CYS A 119 62.633 35.678 52.690 1.00 0.00 H new ATOM 0 HA CYS A 119 61.640 37.800 50.871 1.00 0.00 H new ATOM 0 HB2 CYS A 119 64.480 36.804 51.296 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.968 37.875 50.007 1.00 0.00 H new ATOM 0 HG CYS A 119 64.825 38.748 53.044 1.00 0.00 H new ATOM 1806 N ILE A 120 61.489 36.163 48.975 1.00 0.00 N ATOM 1807 CA ILE A 120 61.303 35.198 47.880 1.00 0.00 C ATOM 1808 C ILE A 120 61.835 35.799 46.568 1.00 0.00 C ATOM 1809 O ILE A 120 62.162 36.984 46.505 1.00 0.00 O ATOM 1810 CB ILE A 120 59.821 34.741 47.856 1.00 0.00 C ATOM 1811 CG1 ILE A 120 59.562 33.469 47.035 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.863 35.862 47.433 1.00 0.00 C ATOM 1813 CD1 ILE A 120 58.216 32.794 47.328 1.00 0.00 C ATOM 0 H ILE A 120 61.099 37.085 48.778 1.00 0.00 H new ATOM 0 HA ILE A 120 61.887 34.290 48.030 1.00 0.00 H new ATOM 0 HB ILE A 120 59.609 34.483 48.894 1.00 0.00 H new ATOM 0 HG12 ILE A 120 59.607 33.719 45.975 1.00 0.00 H new ATOM 0 HG13 ILE A 120 60.363 32.756 47.229 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.840 35.486 47.434 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.944 36.694 48.133 1.00 0.00 H new ATOM 0 HG23 ILE A 120 59.123 36.204 46.431 1.00 0.00 H new ATOM 0 HD11 ILE A 120 58.112 31.904 46.707 1.00 0.00 H new ATOM 0 HD12 ILE A 120 58.173 32.510 48.379 1.00 0.00 H new ATOM 0 HD13 ILE A 120 57.405 33.488 47.106 1.00 0.00 H new ATOM 1825 N ASN A 121 61.929 35.010 45.501 1.00 0.00 N ATOM 1826 CA ASN A 121 62.108 35.536 44.147 1.00 0.00 C ATOM 1827 C ASN A 121 61.012 35.023 43.187 1.00 0.00 C ATOM 1828 O ASN A 121 60.712 33.833 43.134 1.00 0.00 O ATOM 1829 CB ASN A 121 63.573 35.363 43.712 1.00 0.00 C ATOM 1830 CG ASN A 121 63.820 34.246 42.719 1.00 0.00 C ATOM 1831 OD1 ASN A 121 63.464 34.374 41.560 1.00 0.00 O ATOM 1832 ND2 ASN A 121 64.445 33.159 43.105 1.00 0.00 N ATOM 0 H ASN A 121 61.884 33.992 45.548 1.00 0.00 H new ATOM 0 HA ASN A 121 61.946 36.614 44.119 1.00 0.00 H new ATOM 0 HB2 ASN A 121 63.919 36.300 43.275 1.00 0.00 H new ATOM 0 HB3 ASN A 121 64.180 35.181 44.599 1.00 0.00 H new ATOM 0 HD21 ASN A 121 64.636 32.415 42.434 1.00 0.00 H new ATOM 0 HD22 ASN A 121 64.740 33.058 44.076 1.00 0.00 H new ATOM 1839 N SER A 122 60.369 35.935 42.455 1.00 0.00 N ATOM 1840 CA SER A 122 59.132 35.681 41.693 1.00 0.00 C ATOM 1841 C SER A 122 59.362 35.070 40.301 1.00 0.00 C ATOM 1842 O SER A 122 58.688 35.469 39.355 1.00 0.00 O ATOM 1843 CB SER A 122 58.316 36.978 41.572 1.00 0.00 C ATOM 1844 OG SER A 122 58.092 37.574 42.835 1.00 0.00 O ATOM 0 H SER A 122 60.698 36.897 42.370 1.00 0.00 H new ATOM 0 HA SER A 122 58.578 34.932 42.259 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.843 37.681 40.926 1.00 0.00 H new ATOM 0 HB3 SER A 122 57.359 36.763 41.096 1.00 0.00 H new ATOM 0 HG SER A 122 57.572 38.397 42.721 1.00 0.00 H new ATOM 1850 N VAL A 123 60.314 34.139 40.158 1.00 0.00 N ATOM 1851 CA VAL A 123 61.097 33.854 38.929 1.00 0.00 C ATOM 1852 C VAL A 123 60.312 33.790 37.607 1.00 0.00 C ATOM 1853 O VAL A 123 60.799 34.254 36.579 1.00 0.00 O ATOM 1854 CB VAL A 123 61.928 32.571 39.141 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.106 31.276 39.138 1.00 0.00 C ATOM 1856 CG2 VAL A 123 63.061 32.470 38.120 1.00 0.00 C ATOM 0 H VAL A 123 60.579 33.528 40.931 1.00 0.00 H new ATOM 0 HA VAL A 123 61.736 34.726 38.793 1.00 0.00 H new ATOM 0 HB VAL A 123 62.342 32.669 40.144 1.00 0.00 H new ATOM 0 HG11 VAL A 123 61.768 30.424 39.293 1.00 0.00 H new ATOM 0 HG12 VAL A 123 60.367 31.312 39.939 1.00 0.00 H new ATOM 0 HG13 VAL A 123 60.597 31.170 38.180 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.628 31.556 38.295 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.643 32.450 37.113 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.721 33.332 38.222 1.00 0.00 H new ATOM 1866 N ALA A 124 59.091 33.256 37.649 1.00 0.00 N ATOM 1867 CA ALA A 124 58.087 33.312 36.577 1.00 0.00 C ATOM 1868 C ALA A 124 56.640 33.315 37.133 1.00 0.00 C ATOM 1869 O ALA A 124 55.703 32.878 36.472 1.00 0.00 O ATOM 1870 CB ALA A 124 58.339 32.139 35.614 1.00 0.00 C ATOM 0 H ALA A 124 58.756 32.748 38.468 1.00 0.00 H new ATOM 0 HA ALA A 124 58.189 34.251 36.034 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.603 32.163 34.810 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.340 32.224 35.192 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.253 31.198 36.157 1.00 0.00 H new ATOM 1876 N LEU A 125 56.454 33.724 38.392 1.00 0.00 N ATOM 1877 CA LEU A 125 55.329 33.339 39.235 1.00 0.00 C ATOM 1878 C LEU A 125 54.237 34.418 39.251 1.00 0.00 C ATOM 1879 O LEU A 125 54.471 35.594 38.947 1.00 0.00 O ATOM 1880 CB LEU A 125 55.849 32.984 40.640 1.00 0.00 C ATOM 1881 CG LEU A 125 57.027 31.985 40.689 1.00 0.00 C ATOM 1882 CD1 LEU A 125 57.545 31.825 42.116 1.00 0.00 C ATOM 1883 CD2 LEU A 125 56.642 30.609 40.143 1.00 0.00 C ATOM 0 H LEU A 125 57.106 34.352 38.863 1.00 0.00 H new ATOM 0 HA LEU A 125 54.849 32.452 38.820 1.00 0.00 H new ATOM 0 HB2 LEU A 125 56.157 33.904 41.136 1.00 0.00 H new ATOM 0 HB3 LEU A 125 55.023 32.571 41.219 1.00 0.00 H new ATOM 0 HG LEU A 125 57.810 32.401 40.055 1.00 0.00 H new ATOM 0 HD11 LEU A 125 58.374 31.117 42.125 1.00 0.00 H new ATOM 0 HD12 LEU A 125 57.888 32.790 42.489 1.00 0.00 H new ATOM 0 HD13 LEU A 125 56.744 31.453 42.754 1.00 0.00 H new ATOM 0 HD21 LEU A 125 57.502 29.942 40.198 1.00 0.00 H new ATOM 0 HD22 LEU A 125 55.825 30.198 40.736 1.00 0.00 H new ATOM 0 HD23 LEU A 125 56.324 30.705 39.105 1.00 0.00 H new ATOM 1895 N LYS A 126 53.020 33.997 39.589 1.00 0.00 N ATOM 1896 CA LYS A 126 51.775 34.736 39.310 1.00 0.00 C ATOM 1897 C LYS A 126 51.139 35.372 40.558 1.00 0.00 C ATOM 1898 O LYS A 126 51.174 34.841 41.666 1.00 0.00 O ATOM 1899 CB LYS A 126 50.820 33.814 38.540 1.00 0.00 C ATOM 1900 CG LYS A 126 50.036 34.551 37.447 1.00 0.00 C ATOM 1901 CD LYS A 126 50.893 35.074 36.276 1.00 0.00 C ATOM 1902 CE LYS A 126 50.907 36.605 36.266 1.00 0.00 C ATOM 1903 NZ LYS A 126 51.576 37.146 35.062 1.00 0.00 N ATOM 0 H LYS A 126 52.861 33.115 40.075 1.00 0.00 H new ATOM 0 HA LYS A 126 52.014 35.597 38.686 1.00 0.00 H new ATOM 0 HB2 LYS A 126 51.391 33.003 38.087 1.00 0.00 H new ATOM 0 HB3 LYS A 126 50.119 33.359 39.239 1.00 0.00 H new ATOM 0 HG2 LYS A 126 49.275 33.879 37.050 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.513 35.393 37.900 1.00 0.00 H new ATOM 0 HD2 LYS A 126 51.911 34.695 36.365 1.00 0.00 H new ATOM 0 HD3 LYS A 126 50.496 34.702 35.332 1.00 0.00 H new ATOM 0 HE2 LYS A 126 49.883 36.977 36.310 1.00 0.00 H new ATOM 0 HE3 LYS A 126 51.417 36.969 37.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 51.563 38.185 35.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 52.561 36.813 35.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 51.075 36.821 34.211 1.00 0.00 H new ATOM 1917 N PHE A 127 50.573 36.566 40.403 1.00 0.00 N ATOM 1918 CA PHE A 127 49.937 37.319 41.479 1.00 0.00 C ATOM 1919 C PHE A 127 48.856 38.257 40.935 1.00 0.00 C ATOM 1920 O PHE A 127 49.008 38.827 39.853 1.00 0.00 O ATOM 1921 CB PHE A 127 51.012 38.080 42.266 1.00 0.00 C ATOM 1922 CG PHE A 127 51.966 38.938 41.448 1.00 0.00 C ATOM 1923 CD1 PHE A 127 53.124 38.367 40.881 1.00 0.00 C ATOM 1924 CD2 PHE A 127 51.702 40.307 41.255 1.00 0.00 C ATOM 1925 CE1 PHE A 127 54.001 39.156 40.116 1.00 0.00 C ATOM 1926 CE2 PHE A 127 52.582 41.098 40.494 1.00 0.00 C ATOM 1927 CZ PHE A 127 53.733 40.523 39.926 1.00 0.00 C ATOM 0 H PHE A 127 50.543 37.048 39.504 1.00 0.00 H new ATOM 0 HA PHE A 127 49.435 36.628 42.156 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.514 38.721 42.994 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.601 37.356 42.829 1.00 0.00 H new ATOM 0 HD1 PHE A 127 53.338 37.320 41.035 1.00 0.00 H new ATOM 0 HD2 PHE A 127 50.821 40.752 41.693 1.00 0.00 H new ATOM 0 HE1 PHE A 127 54.881 38.712 39.674 1.00 0.00 H new ATOM 0 HE2 PHE A 127 52.374 42.147 40.346 1.00 0.00 H new ATOM 0 HZ PHE A 127 54.410 41.131 39.344 1.00 0.00 H new ATOM 1937 N LYS A 128 47.770 38.420 41.700 1.00 0.00 N ATOM 1938 CA LYS A 128 46.592 39.238 41.365 1.00 0.00 C ATOM 1939 C LYS A 128 46.079 39.996 42.599 1.00 0.00 C ATOM 1940 O LYS A 128 46.286 39.507 43.718 1.00 0.00 O ATOM 1941 CB LYS A 128 45.478 38.337 40.801 1.00 0.00 C ATOM 1942 CG LYS A 128 45.869 37.670 39.475 1.00 0.00 C ATOM 1943 CD LYS A 128 44.719 36.810 38.940 1.00 0.00 C ATOM 1944 CE LYS A 128 45.110 36.071 37.655 1.00 0.00 C ATOM 1945 NZ LYS A 128 45.409 37.000 36.542 1.00 0.00 N ATOM 0 H LYS A 128 47.682 37.967 42.610 1.00 0.00 H new ATOM 0 HA LYS A 128 46.884 39.971 40.613 1.00 0.00 H new ATOM 0 HB2 LYS A 128 45.235 37.566 41.532 1.00 0.00 H new ATOM 0 HB3 LYS A 128 44.576 38.931 40.652 1.00 0.00 H new ATOM 0 HG2 LYS A 128 46.130 38.433 38.742 1.00 0.00 H new ATOM 0 HG3 LYS A 128 46.755 37.051 39.621 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.423 36.086 39.699 1.00 0.00 H new ATOM 0 HD3 LYS A 128 43.852 37.442 38.746 1.00 0.00 H new ATOM 0 HE2 LYS A 128 45.982 35.447 37.849 1.00 0.00 H new ATOM 0 HE3 LYS A 128 44.300 35.404 37.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 45.569 36.457 35.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 44.606 37.647 36.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 46.262 37.550 36.768 1.00 0.00 H new ATOM 1959 N PRO A 129 45.408 41.152 42.440 1.00 0.00 N ATOM 1960 CA PRO A 129 44.713 41.823 43.536 1.00 0.00 C ATOM 1961 C PRO A 129 43.418 41.095 43.939 1.00 0.00 C ATOM 1962 O PRO A 129 42.963 40.170 43.273 1.00 0.00 O ATOM 1963 CB PRO A 129 44.424 43.234 43.017 1.00 0.00 C ATOM 1964 CG PRO A 129 44.208 43.000 41.524 1.00 0.00 C ATOM 1965 CD PRO A 129 45.211 41.891 41.198 1.00 0.00 C ATOM 0 HA PRO A 129 45.320 41.835 44.441 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.544 43.668 43.491 1.00 0.00 H new ATOM 0 HB3 PRO A 129 45.255 43.914 43.205 1.00 0.00 H new ATOM 0 HG2 PRO A 129 43.184 42.694 41.308 1.00 0.00 H new ATOM 0 HG3 PRO A 129 44.401 43.902 40.943 1.00 0.00 H new ATOM 0 HD2 PRO A 129 44.830 41.239 40.412 1.00 0.00 H new ATOM 0 HD3 PRO A 129 46.152 42.308 40.838 1.00 0.00 H new ATOM 1973 N SER A 130 42.821 41.547 45.041 1.00 0.00 N ATOM 1974 CA SER A 130 41.479 41.150 45.508 1.00 0.00 C ATOM 1975 C SER A 130 40.413 42.066 44.919 1.00 0.00 C ATOM 1976 O SER A 130 39.289 41.673 44.621 1.00 0.00 O ATOM 1977 CB SER A 130 41.443 41.266 47.030 1.00 0.00 C ATOM 1978 OG SER A 130 40.718 40.210 47.622 1.00 0.00 O ATOM 0 H SER A 130 43.268 42.224 45.660 1.00 0.00 H new ATOM 0 HA SER A 130 41.277 40.127 45.190 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.462 41.269 47.418 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.992 42.218 47.311 1.00 0.00 H new ATOM 0 HG SER A 130 40.719 40.318 48.596 1.00 0.00 H new ATOM 1984 N LYS A 131 40.803 43.335 44.846 1.00 0.00 N ATOM 1985 CA LYS A 131 40.008 44.503 44.513 1.00 0.00 C ATOM 1986 C LYS A 131 39.989 44.792 42.993 1.00 0.00 C ATOM 1987 O LYS A 131 41.012 44.569 42.341 1.00 0.00 O ATOM 1988 CB LYS A 131 40.543 45.681 45.348 1.00 0.00 C ATOM 1989 CG LYS A 131 40.595 45.371 46.866 1.00 0.00 C ATOM 1990 CD LYS A 131 39.268 44.947 47.507 1.00 0.00 C ATOM 1991 CE LYS A 131 38.204 46.007 47.233 1.00 0.00 C ATOM 1992 NZ LYS A 131 36.920 45.673 47.884 1.00 0.00 N ATOM 0 H LYS A 131 41.772 43.590 45.036 1.00 0.00 H new ATOM 0 HA LYS A 131 38.961 44.329 44.763 1.00 0.00 H new ATOM 0 HB2 LYS A 131 41.543 45.941 45.001 1.00 0.00 H new ATOM 0 HB3 LYS A 131 39.911 46.554 45.182 1.00 0.00 H new ATOM 0 HG2 LYS A 131 41.326 44.579 47.031 1.00 0.00 H new ATOM 0 HG3 LYS A 131 40.961 46.256 47.386 1.00 0.00 H new ATOM 0 HD2 LYS A 131 38.949 43.985 47.105 1.00 0.00 H new ATOM 0 HD3 LYS A 131 39.397 44.816 48.581 1.00 0.00 H new ATOM 0 HE2 LYS A 131 38.553 46.975 47.592 1.00 0.00 H new ATOM 0 HE3 LYS A 131 38.053 46.102 46.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 36.222 46.415 47.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 36.574 44.761 47.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 37.059 45.607 48.913 1.00 0.00 H new