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 38 TYR OH : rot 0:sc= 1.4 USER MOD Set 1.2: A 40 CYS SG : rot -129:sc= 0.348! USER MOD Set 1.3: A 43 CYS SG : rot -106:sc= -3.34! USER MOD Set 1.4: A 96 CYS SG : rot -173:sc= -13.1! USER MOD Set 1.5: A 98 GLN : amide:sc= 0 K(o=-23,f=-24) USER MOD Set 1.6: A 99 CYS SG : rot -45:sc= -8.61! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 173:sc= 0 (180deg=-0.0443) USER MOD Single : A 39 HIS : no HE2:sc= 0.217 K(o=0.22,f=-1.8) USER MOD Single : A 42 CYS SG : rot -138:sc= 0.00397 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0692 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= 1.32 (180deg=0.324) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 29:sc= 1.03 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -45:sc= 0.433 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+ -173:sc= 1.21 (180deg=1.17) USER MOD Single : A 102 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.5!) USER MOD Single : A 105 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.15) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0993 USER MOD Single : A 116 GLN : amide:sc= 0.682 K(o=0.68,f=-2.5!) USER MOD Single : A 119 CYS SG : rot 46:sc=-0.000259 USER MOD Single : A 121 ASN : amide:sc= 1.07 K(o=1.1,f=-3.5!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 161:sc= 0.00774 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 46.564 44.172 47.217 1.00 0.00 N ATOM 559 CA THR A 35 45.809 42.957 47.470 1.00 0.00 C ATOM 560 C THR A 35 45.709 42.089 46.236 1.00 0.00 C ATOM 561 O THR A 35 45.760 42.576 45.108 1.00 0.00 O ATOM 562 CB THR A 35 44.429 43.342 47.955 1.00 0.00 C ATOM 563 OG1 THR A 35 43.687 42.217 48.357 1.00 0.00 O ATOM 564 CG2 THR A 35 43.581 44.218 47.028 1.00 0.00 C ATOM 0 HA THR A 35 46.329 42.372 48.229 1.00 0.00 H new ATOM 0 HB THR A 35 44.654 43.984 48.807 1.00 0.00 H new ATOM 0 HG1 THR A 35 42.802 42.502 48.666 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.618 44.418 47.497 1.00 0.00 H new ATOM 0 HG22 THR A 35 44.098 45.160 46.844 1.00 0.00 H new ATOM 0 HG23 THR A 35 43.423 43.700 46.082 1.00 0.00 H new ATOM 572 N GLY A 36 45.505 40.801 46.467 1.00 0.00 N ATOM 573 CA GLY A 36 45.415 39.786 45.405 1.00 0.00 C ATOM 574 C GLY A 36 45.904 38.400 45.805 1.00 0.00 C ATOM 575 O GLY A 36 45.790 38.009 46.967 1.00 0.00 O ATOM 0 H GLY A 36 45.395 40.417 47.406 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.377 39.710 45.081 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.993 40.126 44.546 1.00 0.00 H new ATOM 579 N MET A 37 46.507 37.669 44.864 1.00 0.00 N ATOM 580 CA MET A 37 47.077 36.340 45.093 1.00 0.00 C ATOM 581 C MET A 37 48.275 36.012 44.199 1.00 0.00 C ATOM 582 O MET A 37 48.422 36.545 43.099 1.00 0.00 O ATOM 583 CB MET A 37 45.993 35.258 44.950 1.00 0.00 C ATOM 584 CG MET A 37 45.533 35.093 43.495 1.00 0.00 C ATOM 585 SD MET A 37 44.291 33.804 43.209 1.00 0.00 S ATOM 586 CE MET A 37 42.853 34.556 44.018 1.00 0.00 C ATOM 0 H MET A 37 46.615 37.992 43.902 1.00 0.00 H new ATOM 0 HA MET A 37 47.458 36.352 46.114 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.379 34.307 45.318 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.137 35.518 45.573 1.00 0.00 H new ATOM 0 HG2 MET A 37 45.129 36.045 43.150 1.00 0.00 H new ATOM 0 HG3 MET A 37 46.406 34.875 42.879 1.00 0.00 H new ATOM 0 HE1 MET A 37 41.969 33.948 43.827 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.028 34.613 45.092 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.696 35.559 43.622 1.00 0.00 H new ATOM 596 N TYR A 38 49.050 35.041 44.667 1.00 0.00 N ATOM 597 CA TYR A 38 49.862 34.146 43.848 1.00 0.00 C ATOM 598 C TYR A 38 49.139 32.797 43.690 1.00 0.00 C ATOM 599 O TYR A 38 48.359 32.373 44.549 1.00 0.00 O ATOM 600 CB TYR A 38 51.294 33.995 44.415 1.00 0.00 C ATOM 601 CG TYR A 38 51.745 32.554 44.617 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.395 31.838 43.591 1.00 0.00 C ATOM 603 CD2 TYR A 38 51.374 31.891 45.798 1.00 0.00 C ATOM 604 CE1 TYR A 38 52.637 30.455 43.741 1.00 0.00 C ATOM 605 CE2 TYR A 38 51.645 30.521 45.966 1.00 0.00 C ATOM 606 CZ TYR A 38 52.252 29.793 44.926 1.00 0.00 C ATOM 607 OH TYR A 38 52.412 28.454 45.074 1.00 0.00 O ATOM 0 H TYR A 38 49.134 34.847 45.665 1.00 0.00 H new ATOM 0 HA TYR A 38 49.983 34.581 42.856 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.992 34.490 43.740 1.00 0.00 H new ATOM 0 HB3 TYR A 38 51.350 34.517 45.370 1.00 0.00 H new ATOM 0 HD1 TYR A 38 52.708 32.347 42.691 1.00 0.00 H new ATOM 0 HD2 TYR A 38 50.876 32.438 46.585 1.00 0.00 H new ATOM 0 HE1 TYR A 38 53.118 29.903 42.947 1.00 0.00 H new ATOM 0 HE2 TYR A 38 51.388 30.028 46.892 1.00 0.00 H new ATOM 0 HH TYR A 38 52.812 28.081 44.261 1.00 0.00 H new ATOM 617 N HIS A 39 49.437 32.116 42.593 1.00 0.00 N ATOM 618 CA HIS A 39 49.256 30.683 42.429 1.00 0.00 C ATOM 619 C HIS A 39 50.351 30.122 41.504 1.00 0.00 C ATOM 620 O HIS A 39 50.901 30.836 40.658 1.00 0.00 O ATOM 621 CB HIS A 39 47.861 30.397 41.847 1.00 0.00 C ATOM 622 CG HIS A 39 47.368 31.377 40.815 1.00 0.00 C ATOM 623 ND1 HIS A 39 46.475 32.397 41.049 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.713 31.430 39.494 1.00 0.00 C ATOM 625 CE1 HIS A 39 46.286 33.056 39.897 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.025 32.509 38.919 1.00 0.00 N ATOM 0 H HIS A 39 49.826 32.564 41.763 1.00 0.00 H new ATOM 0 HA HIS A 39 49.336 30.195 43.400 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.871 29.403 41.401 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.144 30.371 42.668 1.00 0.00 H new ATOM 0 HD1 HIS A 39 46.034 32.614 41.943 1.00 0.00 H new ATOM 0 HD2 HIS A 39 48.392 30.762 38.985 1.00 0.00 H new ATOM 0 HE1 HIS A 39 45.632 33.906 39.773 1.00 0.00 H new ATOM 634 N CYS A 40 50.655 28.834 41.622 1.00 0.00 N ATOM 635 CA CYS A 40 51.471 28.138 40.659 1.00 0.00 C ATOM 636 C CYS A 40 50.837 28.123 39.250 1.00 0.00 C ATOM 637 O CYS A 40 49.649 28.358 39.024 1.00 0.00 O ATOM 638 CB CYS A 40 51.681 26.736 41.219 1.00 0.00 C ATOM 639 SG CYS A 40 52.789 26.691 42.655 1.00 0.00 S ATOM 0 H CYS A 40 50.336 28.249 42.395 1.00 0.00 H new ATOM 0 HA CYS A 40 52.425 28.646 40.518 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.715 26.317 41.502 1.00 0.00 H new ATOM 0 HB3 CYS A 40 52.088 26.097 40.435 1.00 0.00 H new ATOM 0 HG CYS A 40 53.709 25.792 42.465 1.00 0.00 H new ATOM 644 N VAL A 41 51.698 27.758 38.308 1.00 0.00 N ATOM 645 CA VAL A 41 51.367 27.390 36.922 1.00 0.00 C ATOM 646 C VAL A 41 52.018 26.044 36.558 1.00 0.00 C ATOM 647 O VAL A 41 52.393 25.787 35.415 1.00 0.00 O ATOM 648 CB VAL A 41 51.667 28.581 35.991 1.00 0.00 C ATOM 649 CG1 VAL A 41 53.161 28.876 35.823 1.00 0.00 C ATOM 650 CG2 VAL A 41 50.987 28.473 34.621 1.00 0.00 C ATOM 0 H VAL A 41 52.700 27.705 38.492 1.00 0.00 H new ATOM 0 HA VAL A 41 50.301 27.203 36.794 1.00 0.00 H new ATOM 0 HB VAL A 41 51.227 29.431 36.512 1.00 0.00 H new ATOM 0 HG11 VAL A 41 53.291 29.727 35.154 1.00 0.00 H new ATOM 0 HG12 VAL A 41 53.598 29.108 36.794 1.00 0.00 H new ATOM 0 HG13 VAL A 41 53.659 28.003 35.401 1.00 0.00 H new ATOM 0 HG21 VAL A 41 51.242 29.345 34.018 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.329 27.570 34.115 1.00 0.00 H new ATOM 0 HG23 VAL A 41 49.906 28.427 34.754 1.00 0.00 H new ATOM 660 N CYS A 42 52.198 25.195 37.575 1.00 0.00 N ATOM 661 CA CYS A 42 52.888 23.904 37.484 1.00 0.00 C ATOM 662 C CYS A 42 52.145 22.764 38.204 1.00 0.00 C ATOM 663 O CYS A 42 51.941 21.708 37.601 1.00 0.00 O ATOM 664 CB CYS A 42 54.310 24.112 38.020 1.00 0.00 C ATOM 665 SG CYS A 42 55.333 22.643 37.712 1.00 0.00 S ATOM 0 H CYS A 42 51.856 25.394 38.515 1.00 0.00 H new ATOM 0 HA CYS A 42 52.919 23.578 36.444 1.00 0.00 H new ATOM 0 HB2 CYS A 42 54.761 24.982 37.542 1.00 0.00 H new ATOM 0 HB3 CYS A 42 54.274 24.319 39.090 1.00 0.00 H new ATOM 0 HG CYS A 42 56.059 22.392 38.761 1.00 0.00 H new ATOM 671 N CYS A 43 51.703 22.975 39.448 1.00 0.00 N ATOM 672 CA CYS A 43 50.899 22.035 40.216 1.00 0.00 C ATOM 673 C CYS A 43 49.386 22.162 39.893 1.00 0.00 C ATOM 674 O CYS A 43 48.882 21.428 39.039 1.00 0.00 O ATOM 675 CB CYS A 43 51.326 22.171 41.695 1.00 0.00 C ATOM 676 SG CYS A 43 51.434 23.884 42.256 1.00 0.00 S ATOM 0 H CYS A 43 51.905 23.834 39.959 1.00 0.00 H new ATOM 0 HA CYS A 43 51.085 20.999 39.934 1.00 0.00 H new ATOM 0 HB2 CYS A 43 50.613 21.635 42.322 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.295 21.690 41.831 1.00 0.00 H new ATOM 0 HG CYS A 43 52.683 24.225 42.370 1.00 0.00 H new ATOM 681 N ASP A 44 48.685 23.096 40.549 1.00 0.00 N ATOM 682 CA ASP A 44 47.255 23.400 40.310 1.00 0.00 C ATOM 683 C ASP A 44 46.830 24.842 40.662 1.00 0.00 C ATOM 684 O ASP A 44 46.077 25.468 39.909 1.00 0.00 O ATOM 685 CB ASP A 44 46.357 22.458 41.143 1.00 0.00 C ATOM 686 CG ASP A 44 45.905 21.183 40.429 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.212 21.280 39.388 1.00 0.00 O ATOM 688 OD2 ASP A 44 46.138 20.086 40.991 1.00 0.00 O ATOM 0 H ASP A 44 49.099 23.678 41.278 1.00 0.00 H new ATOM 0 HA ASP A 44 47.129 23.262 39.236 1.00 0.00 H new ATOM 0 HB2 ASP A 44 46.895 22.176 42.048 1.00 0.00 H new ATOM 0 HB3 ASP A 44 45.472 23.011 41.458 1.00 0.00 H new ATOM 693 N SER A 45 47.198 25.314 41.859 1.00 0.00 N ATOM 694 CA SER A 45 46.309 26.131 42.692 1.00 0.00 C ATOM 695 C SER A 45 46.997 27.239 43.524 1.00 0.00 C ATOM 696 O SER A 45 48.213 27.218 43.708 1.00 0.00 O ATOM 697 CB SER A 45 45.603 25.144 43.636 1.00 0.00 C ATOM 698 OG SER A 45 46.516 24.246 44.242 1.00 0.00 O ATOM 0 H SER A 45 48.113 25.142 42.275 1.00 0.00 H new ATOM 0 HA SER A 45 45.638 26.678 42.030 1.00 0.00 H new ATOM 0 HB2 SER A 45 45.072 25.699 44.410 1.00 0.00 H new ATOM 0 HB3 SER A 45 44.855 24.580 43.078 1.00 0.00 H new ATOM 0 HG SER A 45 46.030 23.636 44.836 1.00 0.00 H new ATOM 704 N PRO A 46 46.231 28.213 44.067 1.00 0.00 N ATOM 705 CA PRO A 46 46.748 29.223 44.999 1.00 0.00 C ATOM 706 C PRO A 46 47.088 28.660 46.378 1.00 0.00 C ATOM 707 O PRO A 46 46.364 27.820 46.915 1.00 0.00 O ATOM 708 CB PRO A 46 45.662 30.298 45.106 1.00 0.00 C ATOM 709 CG PRO A 46 44.379 29.524 44.810 1.00 0.00 C ATOM 710 CD PRO A 46 44.825 28.481 43.786 1.00 0.00 C ATOM 0 HA PRO A 46 47.689 29.621 44.620 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.640 30.751 46.097 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.821 31.104 44.390 1.00 0.00 H new ATOM 0 HG2 PRO A 46 43.974 29.058 45.708 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.601 30.174 44.409 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.230 27.572 43.872 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.695 28.852 42.770 1.00 0.00 H new ATOM 718 N LEU A 47 48.151 29.202 46.979 1.00 0.00 N ATOM 719 CA LEU A 47 48.572 28.884 48.354 1.00 0.00 C ATOM 720 C LEU A 47 49.161 30.081 49.135 1.00 0.00 C ATOM 721 O LEU A 47 49.422 29.969 50.329 1.00 0.00 O ATOM 722 CB LEU A 47 49.508 27.658 48.294 1.00 0.00 C ATOM 723 CG LEU A 47 49.838 26.967 49.632 1.00 0.00 C ATOM 724 CD1 LEU A 47 48.615 26.665 50.504 1.00 0.00 C ATOM 725 CD2 LEU A 47 50.523 25.633 49.342 1.00 0.00 C ATOM 0 H LEU A 47 48.755 29.884 46.521 1.00 0.00 H new ATOM 0 HA LEU A 47 47.688 28.637 48.943 1.00 0.00 H new ATOM 0 HB2 LEU A 47 49.057 26.919 47.632 1.00 0.00 H new ATOM 0 HB3 LEU A 47 50.445 27.969 47.832 1.00 0.00 H new ATOM 0 HG LEU A 47 50.471 27.665 50.180 1.00 0.00 H new ATOM 0 HD11 LEU A 47 48.936 26.179 51.425 1.00 0.00 H new ATOM 0 HD12 LEU A 47 48.101 27.596 50.744 1.00 0.00 H new ATOM 0 HD13 LEU A 47 47.937 26.005 49.963 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.761 25.135 50.282 1.00 0.00 H new ATOM 0 HD22 LEU A 47 49.856 25.001 48.755 1.00 0.00 H new ATOM 0 HD23 LEU A 47 51.441 25.810 48.782 1.00 0.00 H new ATOM 737 N PHE A 48 49.333 31.254 48.507 1.00 0.00 N ATOM 738 CA PHE A 48 49.668 32.504 49.227 1.00 0.00 C ATOM 739 C PHE A 48 48.917 33.700 48.602 1.00 0.00 C ATOM 740 O PHE A 48 48.943 33.889 47.384 1.00 0.00 O ATOM 741 CB PHE A 48 51.208 32.664 49.319 1.00 0.00 C ATOM 742 CG PHE A 48 51.800 34.049 49.082 1.00 0.00 C ATOM 743 CD1 PHE A 48 51.515 35.114 49.957 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.673 34.268 47.996 1.00 0.00 C ATOM 745 CE1 PHE A 48 52.059 36.392 49.722 1.00 0.00 C ATOM 746 CE2 PHE A 48 53.216 35.543 47.761 1.00 0.00 C ATOM 747 CZ PHE A 48 52.905 36.609 48.622 1.00 0.00 C ATOM 0 H PHE A 48 49.246 31.369 47.497 1.00 0.00 H new ATOM 0 HA PHE A 48 49.320 32.462 50.259 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.519 32.333 50.310 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.658 31.981 48.599 1.00 0.00 H new ATOM 0 HD1 PHE A 48 50.876 34.951 50.812 1.00 0.00 H new ATOM 0 HD2 PHE A 48 52.926 33.449 47.339 1.00 0.00 H new ATOM 0 HE1 PHE A 48 51.825 37.208 50.390 1.00 0.00 H new ATOM 0 HE2 PHE A 48 53.872 35.703 46.918 1.00 0.00 H new ATOM 0 HZ PHE A 48 53.315 37.591 48.439 1.00 0.00 H new ATOM 757 N SER A 49 48.218 34.508 49.416 1.00 0.00 N ATOM 758 CA SER A 49 47.516 35.704 48.961 1.00 0.00 C ATOM 759 C SER A 49 48.378 36.955 49.124 1.00 0.00 C ATOM 760 O SER A 49 49.069 37.120 50.126 1.00 0.00 O ATOM 761 CB SER A 49 46.136 35.840 49.612 1.00 0.00 C ATOM 762 OG SER A 49 46.165 35.694 51.017 1.00 0.00 O ATOM 0 H SER A 49 48.128 34.341 50.418 1.00 0.00 H new ATOM 0 HA SER A 49 47.333 35.592 47.892 1.00 0.00 H new ATOM 0 HB2 SER A 49 45.719 36.816 49.363 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.467 35.091 49.189 1.00 0.00 H new ATOM 0 HG SER A 49 45.258 35.792 51.375 1.00 0.00 H new ATOM 768 N SER A 50 48.299 37.889 48.172 1.00 0.00 N ATOM 769 CA SER A 50 49.032 39.171 48.234 1.00 0.00 C ATOM 770 C SER A 50 48.596 40.063 49.399 1.00 0.00 C ATOM 771 O SER A 50 49.267 41.013 49.776 1.00 0.00 O ATOM 772 CB SER A 50 48.933 39.932 46.915 1.00 0.00 C ATOM 773 OG SER A 50 50.224 40.168 46.397 1.00 0.00 O ATOM 0 H SER A 50 47.727 37.784 47.334 1.00 0.00 H new ATOM 0 HA SER A 50 50.074 38.907 48.413 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.344 39.360 46.199 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.415 40.879 47.070 1.00 0.00 H new ATOM 0 HG SER A 50 50.152 40.655 45.550 1.00 0.00 H new ATOM 779 N GLU A 51 47.498 39.714 50.055 1.00 0.00 N ATOM 780 CA GLU A 51 47.108 40.214 51.356 1.00 0.00 C ATOM 781 C GLU A 51 48.159 39.994 52.451 1.00 0.00 C ATOM 782 O GLU A 51 48.413 40.863 53.282 1.00 0.00 O ATOM 783 CB GLU A 51 45.844 39.424 51.701 1.00 0.00 C ATOM 784 CG GLU A 51 44.742 40.284 52.285 1.00 0.00 C ATOM 785 CD GLU A 51 44.215 39.728 53.618 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.046 38.495 53.747 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.977 40.510 54.569 1.00 0.00 O ATOM 0 H GLU A 51 46.829 39.045 49.674 1.00 0.00 H new ATOM 0 HA GLU A 51 46.970 41.294 51.312 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.474 38.933 50.801 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.098 38.638 52.412 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.116 41.296 52.438 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.921 40.352 51.572 1.00 0.00 H new ATOM 794 N LYS A 52 48.817 38.834 52.421 1.00 0.00 N ATOM 795 CA LYS A 52 49.911 38.451 53.321 1.00 0.00 C ATOM 796 C LYS A 52 51.220 39.188 53.006 1.00 0.00 C ATOM 797 O LYS A 52 52.211 38.992 53.708 1.00 0.00 O ATOM 798 CB LYS A 52 50.135 36.929 53.235 1.00 0.00 C ATOM 799 CG LYS A 52 48.872 36.046 53.200 1.00 0.00 C ATOM 800 CD LYS A 52 47.986 36.202 54.436 1.00 0.00 C ATOM 801 CE LYS A 52 46.665 36.932 54.238 1.00 0.00 C ATOM 802 NZ LYS A 52 45.781 36.759 55.415 1.00 0.00 N ATOM 0 H LYS A 52 48.595 38.105 51.743 1.00 0.00 H new ATOM 0 HA LYS A 52 49.619 38.736 54.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.721 36.721 52.340 1.00 0.00 H new ATOM 0 HB3 LYS A 52 50.740 36.625 54.089 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.290 36.293 52.312 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.170 35.002 53.106 1.00 0.00 H new ATOM 0 HD2 LYS A 52 47.771 35.208 54.829 1.00 0.00 H new ATOM 0 HD3 LYS A 52 48.556 36.730 55.200 1.00 0.00 H new ATOM 0 HE2 LYS A 52 46.853 37.993 54.073 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.167 36.554 53.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 45.125 37.564 55.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 45.239 35.877 55.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 46.358 36.715 56.279 1.00 0.00 H new ATOM 816 N LYS A 53 51.251 40.010 51.945 1.00 0.00 N ATOM 817 CA LYS A 53 52.466 40.667 51.442 1.00 0.00 C ATOM 818 C LYS A 53 52.994 41.664 52.473 1.00 0.00 C ATOM 819 O LYS A 53 52.253 42.492 53.006 1.00 0.00 O ATOM 820 CB LYS A 53 52.213 41.280 50.056 1.00 0.00 C ATOM 821 CG LYS A 53 53.452 41.613 49.205 1.00 0.00 C ATOM 822 CD LYS A 53 53.744 43.110 49.020 1.00 0.00 C ATOM 823 CE LYS A 53 54.499 43.678 50.224 1.00 0.00 C ATOM 824 NZ LYS A 53 55.097 45.003 49.955 1.00 0.00 N ATOM 0 H LYS A 53 50.418 40.240 51.404 1.00 0.00 H new ATOM 0 HA LYS A 53 53.255 39.928 51.302 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.587 40.590 49.489 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.637 42.196 50.190 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.323 41.145 49.664 1.00 0.00 H new ATOM 0 HG3 LYS A 53 53.328 41.160 48.221 1.00 0.00 H new ATOM 0 HD2 LYS A 53 54.332 43.260 48.115 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.808 43.652 48.885 1.00 0.00 H new ATOM 0 HE2 LYS A 53 53.816 43.758 51.070 1.00 0.00 H new ATOM 0 HE3 LYS A 53 55.286 42.982 50.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 55.595 45.338 50.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 55.771 44.926 49.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 54.347 45.678 49.705 1.00 0.00 H new ATOM 838 N TYR A 54 54.286 41.556 52.741 1.00 0.00 N ATOM 839 CA TYR A 54 55.022 42.227 53.816 1.00 0.00 C ATOM 840 C TYR A 54 56.276 42.956 53.295 1.00 0.00 C ATOM 841 O TYR A 54 56.654 42.779 52.138 1.00 0.00 O ATOM 842 CB TYR A 54 55.324 41.196 54.903 1.00 0.00 C ATOM 843 CG TYR A 54 55.939 41.766 56.168 1.00 0.00 C ATOM 844 CD1 TYR A 54 55.167 42.589 57.009 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.290 41.510 56.480 1.00 0.00 C ATOM 846 CE1 TYR A 54 55.746 43.177 58.151 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.868 42.090 57.625 1.00 0.00 C ATOM 848 CZ TYR A 54 57.102 42.931 58.460 1.00 0.00 C ATOM 849 OH TYR A 54 57.679 43.507 59.545 1.00 0.00 O ATOM 0 H TYR A 54 54.894 40.959 52.180 1.00 0.00 H new ATOM 0 HA TYR A 54 54.411 43.019 54.249 1.00 0.00 H new ATOM 0 HB2 TYR A 54 54.398 40.683 55.165 1.00 0.00 H new ATOM 0 HB3 TYR A 54 56.000 40.445 54.494 1.00 0.00 H new ATOM 0 HD1 TYR A 54 54.128 42.770 56.778 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.881 40.870 55.841 1.00 0.00 H new ATOM 0 HE1 TYR A 54 55.153 43.815 58.790 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.902 41.891 57.865 1.00 0.00 H new ATOM 0 HH TYR A 54 58.616 43.226 59.605 1.00 0.00 H new ATOM 933 N PRO A 61 59.791 42.586 48.137 1.00 0.00 N ATOM 934 CA PRO A 61 58.776 41.578 48.459 1.00 0.00 C ATOM 935 C PRO A 61 59.078 40.704 49.687 1.00 0.00 C ATOM 936 O PRO A 61 60.199 40.251 49.934 1.00 0.00 O ATOM 937 CB PRO A 61 58.671 40.705 47.205 1.00 0.00 C ATOM 938 CG PRO A 61 60.112 40.689 46.703 1.00 0.00 C ATOM 939 CD PRO A 61 60.577 42.114 47.000 1.00 0.00 C ATOM 0 HA PRO A 61 57.851 42.087 48.729 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.309 39.703 47.435 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.988 41.129 46.469 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.716 39.947 47.225 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.170 40.456 45.640 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.642 42.133 47.232 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.428 42.758 46.133 1.00 0.00 H new ATOM 947 N SER A 62 58.030 40.380 50.442 1.00 0.00 N ATOM 948 CA SER A 62 58.001 39.394 51.518 1.00 0.00 C ATOM 949 C SER A 62 56.553 38.949 51.795 1.00 0.00 C ATOM 950 O SER A 62 55.616 39.547 51.267 1.00 0.00 O ATOM 951 CB SER A 62 58.617 40.037 52.743 1.00 0.00 C ATOM 952 OG SER A 62 60.028 40.008 52.685 1.00 0.00 O ATOM 0 H SER A 62 57.123 40.827 50.310 1.00 0.00 H new ATOM 0 HA SER A 62 58.565 38.503 51.242 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.276 41.069 52.825 1.00 0.00 H new ATOM 0 HB3 SER A 62 58.277 39.517 53.639 1.00 0.00 H new ATOM 0 HG SER A 62 60.317 40.019 51.749 1.00 0.00 H new ATOM 958 N PHE A 63 56.339 37.938 52.638 1.00 0.00 N ATOM 959 CA PHE A 63 55.036 37.405 53.043 1.00 0.00 C ATOM 960 C PHE A 63 55.123 37.087 54.535 1.00 0.00 C ATOM 961 O PHE A 63 56.007 36.365 54.976 1.00 0.00 O ATOM 962 CB PHE A 63 54.644 36.177 52.198 1.00 0.00 C ATOM 963 CG PHE A 63 55.444 34.893 52.400 1.00 0.00 C ATOM 964 CD1 PHE A 63 56.820 34.837 52.103 1.00 0.00 C ATOM 965 CD2 PHE A 63 54.799 33.734 52.877 1.00 0.00 C ATOM 966 CE1 PHE A 63 57.545 33.646 52.286 1.00 0.00 C ATOM 967 CE2 PHE A 63 55.522 32.541 53.059 1.00 0.00 C ATOM 968 CZ PHE A 63 56.896 32.496 52.764 1.00 0.00 C ATOM 0 H PHE A 63 57.112 37.441 53.081 1.00 0.00 H new ATOM 0 HA PHE A 63 54.246 38.136 52.870 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.596 35.954 52.397 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.717 36.456 51.147 1.00 0.00 H new ATOM 0 HD1 PHE A 63 57.323 35.717 51.731 1.00 0.00 H new ATOM 0 HD2 PHE A 63 53.744 33.762 53.104 1.00 0.00 H new ATOM 0 HE1 PHE A 63 58.600 33.616 52.059 1.00 0.00 H new ATOM 0 HE2 PHE A 63 55.021 31.658 53.426 1.00 0.00 H new ATOM 0 HZ PHE A 63 57.451 31.580 52.905 1.00 0.00 H new ATOM 978 N SER A 64 54.259 37.689 55.342 1.00 0.00 N ATOM 979 CA SER A 64 54.289 37.518 56.806 1.00 0.00 C ATOM 980 C SER A 64 53.538 36.282 57.315 1.00 0.00 C ATOM 981 O SER A 64 53.676 35.944 58.487 1.00 0.00 O ATOM 982 CB SER A 64 53.829 38.793 57.514 1.00 0.00 C ATOM 983 OG SER A 64 52.543 39.195 57.078 1.00 0.00 O ATOM 0 H SER A 64 53.518 38.308 55.012 1.00 0.00 H new ATOM 0 HA SER A 64 55.333 37.333 57.061 1.00 0.00 H new ATOM 0 HB2 SER A 64 53.813 38.627 58.591 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.545 39.593 57.325 1.00 0.00 H new ATOM 0 HG SER A 64 52.278 40.012 57.551 1.00 0.00 H new ATOM 989 N GLU A 65 52.756 35.604 56.468 1.00 0.00 N ATOM 990 CA GLU A 65 52.106 34.328 56.790 1.00 0.00 C ATOM 991 C GLU A 65 51.666 33.546 55.538 1.00 0.00 C ATOM 992 O GLU A 65 51.533 34.103 54.448 1.00 0.00 O ATOM 993 CB GLU A 65 50.899 34.549 57.723 1.00 0.00 C ATOM 994 CG GLU A 65 49.799 35.417 57.100 1.00 0.00 C ATOM 995 CD GLU A 65 48.570 35.676 57.989 1.00 0.00 C ATOM 996 OE1 GLU A 65 48.707 35.692 59.234 1.00 0.00 O ATOM 997 OE2 GLU A 65 47.484 35.935 57.415 1.00 0.00 O ATOM 0 H GLU A 65 52.553 35.932 55.524 1.00 0.00 H new ATOM 0 HA GLU A 65 52.855 33.723 57.301 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.478 33.581 57.995 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.243 35.018 58.645 1.00 0.00 H new ATOM 0 HG2 GLU A 65 50.233 36.378 56.823 1.00 0.00 H new ATOM 0 HG3 GLU A 65 49.464 34.941 56.178 1.00 0.00 H new ATOM 1004 N ALA A 66 51.376 32.257 55.729 1.00 0.00 N ATOM 1005 CA ALA A 66 50.786 31.356 54.733 1.00 0.00 C ATOM 1006 C ALA A 66 49.393 30.906 55.214 1.00 0.00 C ATOM 1007 O ALA A 66 49.230 29.906 55.922 1.00 0.00 O ATOM 1008 CB ALA A 66 51.754 30.192 54.486 1.00 0.00 C ATOM 0 H ALA A 66 51.553 31.792 56.619 1.00 0.00 H new ATOM 0 HA ALA A 66 50.637 31.859 53.777 1.00 0.00 H new ATOM 0 HB1 ALA A 66 51.327 29.514 53.747 1.00 0.00 H new ATOM 0 HB2 ALA A 66 52.703 30.580 54.117 1.00 0.00 H new ATOM 0 HB3 ALA A 66 51.921 29.653 55.419 1.00 0.00 H new ATOM 1162 N GLY A 78 51.727 20.019 50.968 1.00 0.00 N ATOM 1163 CA GLY A 78 52.700 19.618 49.953 1.00 0.00 C ATOM 1164 C GLY A 78 53.812 20.655 49.734 1.00 0.00 C ATOM 1165 O GLY A 78 54.479 20.599 48.705 1.00 0.00 O ATOM 0 HA2 GLY A 78 53.150 18.669 50.246 1.00 0.00 H new ATOM 0 HA3 GLY A 78 52.181 19.447 49.010 1.00 0.00 H new ATOM 1169 N ILE A 79 54.027 21.600 50.663 1.00 0.00 N ATOM 1170 CA ILE A 79 55.191 22.504 50.641 1.00 0.00 C ATOM 1171 C ILE A 79 56.173 22.129 51.750 1.00 0.00 C ATOM 1172 O ILE A 79 55.784 21.616 52.801 1.00 0.00 O ATOM 1173 CB ILE A 79 54.799 23.997 50.653 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.394 24.488 52.059 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.768 24.277 49.544 1.00 0.00 C ATOM 1176 CD1 ILE A 79 53.727 25.866 52.105 1.00 0.00 C ATOM 0 H ILE A 79 53.400 21.760 51.451 1.00 0.00 H new ATOM 0 HA ILE A 79 55.702 22.366 49.688 1.00 0.00 H new ATOM 0 HB ILE A 79 55.675 24.601 50.416 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.714 23.759 52.498 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.284 24.512 52.688 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.496 25.332 49.558 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.199 24.026 48.575 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.878 23.671 49.713 1.00 0.00 H new ATOM 0 HD11 ILE A 79 53.482 26.117 53.137 1.00 0.00 H new ATOM 0 HD12 ILE A 79 54.409 26.614 51.701 1.00 0.00 H new ATOM 0 HD13 ILE A 79 52.814 25.849 51.509 1.00 0.00 H new ATOM 1188 N LEU A 80 57.457 22.370 51.511 1.00 0.00 N ATOM 1189 CA LEU A 80 58.576 21.896 52.318 1.00 0.00 C ATOM 1190 C LEU A 80 59.475 23.050 52.762 1.00 0.00 C ATOM 1191 O LEU A 80 59.409 24.173 52.260 1.00 0.00 O ATOM 1192 CB LEU A 80 59.358 20.838 51.537 1.00 0.00 C ATOM 1193 CG LEU A 80 59.123 19.416 52.043 1.00 0.00 C ATOM 1194 CD1 LEU A 80 57.718 18.879 51.772 1.00 0.00 C ATOM 1195 CD2 LEU A 80 60.126 18.507 51.362 1.00 0.00 C ATOM 0 H LEU A 80 57.761 22.927 50.712 1.00 0.00 H new ATOM 0 HA LEU A 80 58.185 21.439 53.227 1.00 0.00 H new ATOM 0 HB2 LEU A 80 59.078 20.893 50.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.422 21.066 51.596 1.00 0.00 H new ATOM 0 HG LEU A 80 59.240 19.439 53.126 1.00 0.00 H new ATOM 0 HD11 LEU A 80 57.635 17.865 52.162 1.00 0.00 H new ATOM 0 HD12 LEU A 80 56.983 19.518 52.262 1.00 0.00 H new ATOM 0 HD13 LEU A 80 57.533 18.871 50.698 1.00 0.00 H new ATOM 0 HD21 LEU A 80 59.981 17.483 51.706 1.00 0.00 H new ATOM 0 HD22 LEU A 80 59.983 18.551 50.282 1.00 0.00 H new ATOM 0 HD23 LEU A 80 61.137 18.832 51.608 1.00 0.00 H new ATOM 1207 N ARG A 81 60.360 22.742 53.705 1.00 0.00 N ATOM 1208 CA ARG A 81 61.312 23.671 54.306 1.00 0.00 C ATOM 1209 C ARG A 81 62.625 22.975 54.654 1.00 0.00 C ATOM 1210 O ARG A 81 62.642 21.777 54.923 1.00 0.00 O ATOM 1211 CB ARG A 81 60.639 24.410 55.479 1.00 0.00 C ATOM 1212 CG ARG A 81 59.844 23.584 56.499 1.00 0.00 C ATOM 1213 CD ARG A 81 60.720 22.749 57.438 1.00 0.00 C ATOM 1214 NE ARG A 81 59.919 21.956 58.380 1.00 0.00 N ATOM 1215 CZ ARG A 81 59.377 22.345 59.512 1.00 0.00 C ATOM 1216 NH1 ARG A 81 59.324 23.592 59.873 1.00 0.00 N ATOM 1217 NH2 ARG A 81 58.880 21.450 60.306 1.00 0.00 N ATOM 0 H ARG A 81 60.437 21.799 54.087 1.00 0.00 H new ATOM 0 HA ARG A 81 61.598 24.437 53.585 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.415 24.950 56.021 1.00 0.00 H new ATOM 0 HB3 ARG A 81 59.966 25.157 55.059 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.227 24.257 57.095 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.165 22.920 55.964 1.00 0.00 H new ATOM 0 HD2 ARG A 81 61.350 22.083 56.849 1.00 0.00 H new ATOM 0 HD3 ARG A 81 61.386 23.409 57.995 1.00 0.00 H new ATOM 0 HE ARG A 81 59.764 20.981 58.123 1.00 0.00 H new ATOM 0 HH11 ARG A 81 59.713 24.315 59.268 1.00 0.00 H new ATOM 0 HH12 ARG A 81 58.893 23.848 60.761 1.00 0.00 H new ATOM 0 HH21 ARG A 81 58.914 20.464 60.048 1.00 0.00 H new ATOM 0 HH22 ARG A 81 58.455 21.732 61.189 1.00 0.00 H new ATOM 1231 N ARG A 82 63.725 23.722 54.623 1.00 0.00 N ATOM 1232 CA ARG A 82 65.087 23.257 54.893 1.00 0.00 C ATOM 1233 C ARG A 82 65.912 24.445 55.387 1.00 0.00 C ATOM 1234 O ARG A 82 66.080 25.447 54.703 1.00 0.00 O ATOM 1235 CB ARG A 82 65.654 22.583 53.630 1.00 0.00 C ATOM 1236 CG ARG A 82 66.683 21.489 53.955 1.00 0.00 C ATOM 1237 CD ARG A 82 67.886 22.075 54.686 1.00 0.00 C ATOM 1238 NE ARG A 82 69.045 21.175 54.730 1.00 0.00 N ATOM 1239 CZ ARG A 82 69.975 21.041 53.807 1.00 0.00 C ATOM 1240 NH1 ARG A 82 69.900 21.560 52.619 1.00 0.00 N ATOM 1241 NH2 ARG A 82 71.046 20.362 54.071 1.00 0.00 N ATOM 0 H ARG A 82 63.692 24.716 54.398 1.00 0.00 H new ATOM 0 HA ARG A 82 65.112 22.501 55.677 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.836 22.148 53.056 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.120 23.339 52.998 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.219 20.718 54.570 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.011 21.007 53.034 1.00 0.00 H new ATOM 0 HD2 ARG A 82 68.178 23.006 54.199 1.00 0.00 H new ATOM 0 HD3 ARG A 82 67.593 22.327 55.705 1.00 0.00 H new ATOM 0 HE ARG A 82 69.140 20.593 55.562 1.00 0.00 H new ATOM 0 HH11 ARG A 82 69.083 22.111 52.354 1.00 0.00 H new ATOM 0 HH12 ARG A 82 70.658 21.417 51.951 1.00 0.00 H new ATOM 0 HH21 ARG A 82 71.165 19.935 54.989 1.00 0.00 H new ATOM 0 HH22 ARG A 82 71.770 20.255 53.360 1.00 0.00 H new ATOM 1255 N LEU A 83 66.394 24.338 56.616 1.00 0.00 N ATOM 1256 CA LEU A 83 67.297 25.295 57.235 1.00 0.00 C ATOM 1257 C LEU A 83 68.736 25.108 56.740 1.00 0.00 C ATOM 1258 O LEU A 83 69.214 23.991 56.566 1.00 0.00 O ATOM 1259 CB LEU A 83 67.264 25.191 58.761 1.00 0.00 C ATOM 1260 CG LEU A 83 66.036 25.754 59.488 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.703 25.097 59.114 1.00 0.00 C ATOM 1262 CD2 LEU A 83 66.229 25.606 60.998 1.00 0.00 C ATOM 0 H LEU A 83 66.159 23.557 57.229 1.00 0.00 H new ATOM 0 HA LEU A 83 66.951 26.287 56.944 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.358 24.138 59.027 1.00 0.00 H new ATOM 0 HB3 LEU A 83 68.146 25.698 59.151 1.00 0.00 H new ATOM 0 HG LEU A 83 65.970 26.796 59.174 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.896 25.563 59.680 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.520 25.227 58.047 1.00 0.00 H new ATOM 0 HD13 LEU A 83 64.743 24.033 59.348 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.358 26.005 61.517 1.00 0.00 H new ATOM 0 HD22 LEU A 83 66.349 24.552 61.248 1.00 0.00 H new ATOM 0 HD23 LEU A 83 67.118 26.155 61.307 1.00 0.00 H new ATOM 1274 N ASP A 84 69.444 26.220 56.610 1.00 0.00 N ATOM 1275 CA ASP A 84 70.783 26.304 56.003 1.00 0.00 C ATOM 1276 C ASP A 84 71.793 26.957 56.973 1.00 0.00 C ATOM 1277 O ASP A 84 72.727 27.658 56.594 1.00 0.00 O ATOM 1278 CB ASP A 84 70.658 26.949 54.612 1.00 0.00 C ATOM 1279 CG ASP A 84 71.803 26.590 53.662 1.00 0.00 C ATOM 1280 OD1 ASP A 84 71.915 25.413 53.257 1.00 0.00 O ATOM 1281 OD2 ASP A 84 72.485 27.524 53.185 1.00 0.00 O ATOM 0 H ASP A 84 69.099 27.124 56.932 1.00 0.00 H new ATOM 0 HA ASP A 84 71.208 25.315 55.832 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.714 26.641 54.162 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.618 28.032 54.726 1.00 0.00 H new ATOM 1286 N THR A 85 71.599 26.683 58.270 1.00 0.00 N ATOM 1287 CA THR A 85 72.410 27.069 59.449 1.00 0.00 C ATOM 1288 C THR A 85 73.761 26.334 59.500 1.00 0.00 C ATOM 1289 O THR A 85 74.199 25.832 60.532 1.00 0.00 O ATOM 1290 CB THR A 85 71.563 26.890 60.726 1.00 0.00 C ATOM 1291 OG1 THR A 85 72.273 27.319 61.855 1.00 0.00 O ATOM 1292 CG2 THR A 85 71.060 25.468 60.986 1.00 0.00 C ATOM 0 H THR A 85 70.791 26.130 58.556 1.00 0.00 H new ATOM 0 HA THR A 85 72.679 28.122 59.368 1.00 0.00 H new ATOM 0 HB THR A 85 70.681 27.505 60.546 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.188 26.969 61.819 1.00 0.00 H new ATOM 0 HG21 THR A 85 70.476 25.451 61.906 1.00 0.00 H new ATOM 0 HG22 THR A 85 70.434 25.145 60.154 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.911 24.793 61.083 1.00 0.00 H new ATOM 1300 N SER A 86 74.405 26.242 58.338 1.00 0.00 N ATOM 1301 CA SER A 86 75.605 25.445 58.054 1.00 0.00 C ATOM 1302 C SER A 86 76.746 26.265 57.446 1.00 0.00 C ATOM 1303 O SER A 86 77.903 25.852 57.444 1.00 0.00 O ATOM 1304 CB SER A 86 75.180 24.278 57.151 1.00 0.00 C ATOM 1305 OG SER A 86 76.224 23.363 56.901 1.00 0.00 O ATOM 0 H SER A 86 74.085 26.753 57.515 1.00 0.00 H new ATOM 0 HA SER A 86 76.017 25.069 58.990 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.347 23.751 57.616 1.00 0.00 H new ATOM 0 HB3 SER A 86 74.817 24.674 56.203 1.00 0.00 H new ATOM 0 HG SER A 86 75.896 22.642 56.324 1.00 0.00 H new ATOM 1311 N LEU A 87 76.416 27.482 57.021 1.00 0.00 N ATOM 1312 CA LEU A 87 77.289 28.445 56.330 1.00 0.00 C ATOM 1313 C LEU A 87 77.888 29.512 57.262 1.00 0.00 C ATOM 1314 O LEU A 87 78.330 30.572 56.814 1.00 0.00 O ATOM 1315 CB LEU A 87 76.545 29.063 55.133 1.00 0.00 C ATOM 1316 CG LEU A 87 76.034 28.073 54.076 1.00 0.00 C ATOM 1317 CD1 LEU A 87 75.428 28.860 52.917 1.00 0.00 C ATOM 1318 CD2 LEU A 87 77.140 27.180 53.511 1.00 0.00 C ATOM 0 H LEU A 87 75.475 27.851 57.155 1.00 0.00 H new ATOM 0 HA LEU A 87 78.151 27.892 55.957 1.00 0.00 H new ATOM 0 HB2 LEU A 87 75.695 29.630 55.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.211 29.774 54.644 1.00 0.00 H new ATOM 0 HG LEU A 87 75.301 27.432 54.566 1.00 0.00 H new ATOM 0 HD11 LEU A 87 75.061 28.167 52.159 1.00 0.00 H new ATOM 0 HD12 LEU A 87 74.601 29.468 53.283 1.00 0.00 H new ATOM 0 HD13 LEU A 87 76.188 29.507 52.480 1.00 0.00 H new ATOM 0 HD21 LEU A 87 76.717 26.502 52.769 1.00 0.00 H new ATOM 0 HD22 LEU A 87 77.904 27.800 53.042 1.00 0.00 H new ATOM 0 HD23 LEU A 87 77.588 26.601 54.318 1.00 0.00 H new ATOM 1330 N GLY A 88 77.850 29.254 58.570 1.00 0.00 N ATOM 1331 CA GLY A 88 78.358 30.171 59.608 1.00 0.00 C ATOM 1332 C GLY A 88 77.393 31.293 60.011 1.00 0.00 C ATOM 1333 O GLY A 88 77.756 32.203 60.757 1.00 0.00 O ATOM 0 H GLY A 88 77.461 28.391 58.950 1.00 0.00 H new ATOM 0 HA2 GLY A 88 78.606 29.589 60.496 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.285 30.620 59.252 1.00 0.00 H new ATOM 1337 N CYS A 89 76.181 31.239 59.466 1.00 0.00 N ATOM 1338 CA CYS A 89 75.022 32.067 59.782 1.00 0.00 C ATOM 1339 C CYS A 89 73.729 31.218 59.741 1.00 0.00 C ATOM 1340 O CYS A 89 73.567 30.442 58.795 1.00 0.00 O ATOM 1341 CB CYS A 89 74.981 33.190 58.744 1.00 0.00 C ATOM 1342 SG CYS A 89 73.752 34.450 59.194 1.00 0.00 S ATOM 0 H CYS A 89 75.968 30.561 58.734 1.00 0.00 H new ATOM 0 HA CYS A 89 75.096 32.483 60.787 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.966 33.650 58.662 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.741 32.776 57.765 1.00 0.00 H new ATOM 0 HG CYS A 89 73.744 35.389 58.295 1.00 0.00 H new ATOM 1348 N PRO A 90 72.797 31.334 60.708 1.00 0.00 N ATOM 1349 CA PRO A 90 71.501 30.661 60.659 1.00 0.00 C ATOM 1350 C PRO A 90 70.563 31.267 59.610 1.00 0.00 C ATOM 1351 O PRO A 90 70.267 32.460 59.625 1.00 0.00 O ATOM 1352 CB PRO A 90 70.920 30.740 62.069 1.00 0.00 C ATOM 1353 CG PRO A 90 71.602 31.970 62.666 1.00 0.00 C ATOM 1354 CD PRO A 90 72.985 31.929 62.016 1.00 0.00 C ATOM 0 HA PRO A 90 71.622 29.623 60.348 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.836 30.851 62.051 1.00 0.00 H new ATOM 0 HB3 PRO A 90 71.139 29.841 62.644 1.00 0.00 H new ATOM 0 HG2 PRO A 90 71.067 32.888 62.424 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.662 31.913 63.753 1.00 0.00 H new ATOM 0 HD2 PRO A 90 73.406 32.931 61.931 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.680 31.341 62.615 1.00 0.00 H new ATOM 1362 N ARG A 91 70.064 30.401 58.723 1.00 0.00 N ATOM 1363 CA ARG A 91 69.190 30.694 57.572 1.00 0.00 C ATOM 1364 C ARG A 91 68.062 29.659 57.497 1.00 0.00 C ATOM 1365 O ARG A 91 68.225 28.524 57.954 1.00 0.00 O ATOM 1366 CB ARG A 91 69.993 30.633 56.263 1.00 0.00 C ATOM 1367 CG ARG A 91 71.217 31.555 56.158 1.00 0.00 C ATOM 1368 CD ARG A 91 70.854 33.021 56.405 1.00 0.00 C ATOM 1369 NE ARG A 91 71.896 33.926 55.886 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.788 35.221 55.670 1.00 0.00 C ATOM 1371 NH1 ARG A 91 70.703 35.893 55.916 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.802 35.866 55.193 1.00 0.00 N ATOM 0 H ARG A 91 70.272 29.405 58.791 1.00 0.00 H new ATOM 0 HA ARG A 91 68.775 31.693 57.703 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.328 29.606 56.117 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.319 30.868 55.440 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.970 31.241 56.881 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.663 31.454 55.169 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.901 33.248 55.926 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.722 33.190 57.474 1.00 0.00 H new ATOM 0 HE ARG A 91 72.799 33.503 55.671 1.00 0.00 H new ATOM 0 HH11 ARG A 91 69.884 35.418 56.294 1.00 0.00 H new ATOM 0 HH12 ARG A 91 70.671 36.896 55.731 1.00 0.00 H new ATOM 0 HH21 ARG A 91 73.671 35.372 54.989 1.00 0.00 H new ATOM 0 HH22 ARG A 91 72.733 36.869 55.021 1.00 0.00 H new ATOM 1386 N MET A 92 66.953 30.017 56.864 1.00 0.00 N ATOM 1387 CA MET A 92 65.754 29.220 56.665 1.00 0.00 C ATOM 1388 C MET A 92 65.322 29.347 55.198 1.00 0.00 C ATOM 1389 O MET A 92 65.230 30.451 54.672 1.00 0.00 O ATOM 1390 CB MET A 92 64.673 29.754 57.601 1.00 0.00 C ATOM 1391 CG MET A 92 64.554 29.028 58.937 1.00 0.00 C ATOM 1392 SD MET A 92 63.409 29.826 60.090 1.00 0.00 S ATOM 1393 CE MET A 92 63.511 28.666 61.481 1.00 0.00 C ATOM 0 H MET A 92 66.863 30.943 56.445 1.00 0.00 H new ATOM 0 HA MET A 92 65.931 28.167 56.886 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.871 30.808 57.795 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.712 29.699 57.089 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.223 28.005 58.758 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.540 28.968 59.399 1.00 0.00 H new ATOM 0 HE1 MET A 92 62.862 29.007 62.287 1.00 0.00 H new ATOM 0 HE2 MET A 92 63.193 27.676 61.153 1.00 0.00 H new ATOM 0 HE3 MET A 92 64.539 28.617 61.839 1.00 0.00 H new ATOM 1403 N GLU A 93 65.044 28.240 54.523 1.00 0.00 N ATOM 1404 CA GLU A 93 64.569 28.245 53.125 1.00 0.00 C ATOM 1405 C GLU A 93 63.347 27.327 52.930 1.00 0.00 C ATOM 1406 O GLU A 93 63.190 26.333 53.643 1.00 0.00 O ATOM 1407 CB GLU A 93 65.765 27.936 52.206 1.00 0.00 C ATOM 1408 CG GLU A 93 65.427 27.901 50.710 1.00 0.00 C ATOM 1409 CD GLU A 93 66.670 27.758 49.819 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.614 27.008 50.166 1.00 0.00 O ATOM 1411 OE2 GLU A 93 66.677 28.325 48.703 1.00 0.00 O ATOM 0 H GLU A 93 65.138 27.305 54.921 1.00 0.00 H new ATOM 0 HA GLU A 93 64.193 29.230 52.850 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.538 28.686 52.373 1.00 0.00 H new ATOM 0 HB3 GLU A 93 66.188 26.973 52.492 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.749 27.070 50.515 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.897 28.815 50.441 1.00 0.00 H new ATOM 1418 N VAL A 94 62.452 27.681 51.995 1.00 0.00 N ATOM 1419 CA VAL A 94 61.180 26.985 51.734 1.00 0.00 C ATOM 1420 C VAL A 94 60.962 26.700 50.244 1.00 0.00 C ATOM 1421 O VAL A 94 61.392 27.457 49.371 1.00 0.00 O ATOM 1422 CB VAL A 94 59.960 27.703 52.354 1.00 0.00 C ATOM 1423 CG1 VAL A 94 60.165 28.011 53.844 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.553 29.017 51.677 1.00 0.00 C ATOM 0 H VAL A 94 62.596 28.483 51.381 1.00 0.00 H new ATOM 0 HA VAL A 94 61.267 26.023 52.239 1.00 0.00 H new ATOM 0 HB VAL A 94 59.159 26.980 52.198 1.00 0.00 H new ATOM 0 HG11 VAL A 94 59.282 28.516 54.236 1.00 0.00 H new ATOM 0 HG12 VAL A 94 60.324 27.081 54.389 1.00 0.00 H new ATOM 0 HG13 VAL A 94 61.035 28.656 53.966 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.688 29.438 52.190 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.382 29.723 51.725 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.299 28.826 50.634 1.00 0.00 H new ATOM 1434 N VAL A 95 60.284 25.591 49.945 1.00 0.00 N ATOM 1435 CA VAL A 95 60.061 25.073 48.584 1.00 0.00 C ATOM 1436 C VAL A 95 58.621 24.604 48.393 1.00 0.00 C ATOM 1437 O VAL A 95 57.990 24.129 49.337 1.00 0.00 O ATOM 1438 CB VAL A 95 61.063 23.951 48.202 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.508 24.238 48.645 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.711 22.575 48.778 1.00 0.00 C ATOM 0 H VAL A 95 59.859 25.005 50.664 1.00 0.00 H new ATOM 0 HA VAL A 95 60.241 25.907 47.905 1.00 0.00 H new ATOM 0 HB VAL A 95 60.986 23.937 47.115 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.152 23.411 48.344 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.856 25.158 48.176 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.541 24.348 49.729 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.460 21.847 48.465 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.692 22.630 49.866 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.731 22.268 48.413 1.00 0.00 H new ATOM 1450 N CYS A 96 58.129 24.658 47.159 1.00 0.00 N ATOM 1451 CA CYS A 96 56.938 23.987 46.742 1.00 0.00 C ATOM 1452 C CYS A 96 57.381 22.604 46.247 1.00 0.00 C ATOM 1453 O CYS A 96 58.187 22.457 45.328 1.00 0.00 O ATOM 1454 CB CYS A 96 56.243 24.861 45.700 1.00 0.00 C ATOM 1455 SG CYS A 96 54.811 23.963 45.124 1.00 0.00 S ATOM 0 H CYS A 96 58.574 25.190 46.411 1.00 0.00 H new ATOM 0 HA CYS A 96 56.201 23.832 47.530 1.00 0.00 H new ATOM 0 HB2 CYS A 96 55.948 25.816 46.134 1.00 0.00 H new ATOM 0 HB3 CYS A 96 56.917 25.082 44.872 1.00 0.00 H new ATOM 0 HG CYS A 96 54.275 24.597 44.123 1.00 0.00 H new ATOM 1460 N LYS A 97 56.886 21.589 46.938 1.00 0.00 N ATOM 1461 CA LYS A 97 56.956 20.167 46.560 1.00 0.00 C ATOM 1462 C LYS A 97 55.683 19.662 45.873 1.00 0.00 C ATOM 1463 O LYS A 97 55.608 18.516 45.432 1.00 0.00 O ATOM 1464 CB LYS A 97 57.409 19.343 47.760 1.00 0.00 C ATOM 1465 CG LYS A 97 57.947 17.968 47.353 1.00 0.00 C ATOM 1466 CD LYS A 97 59.087 18.039 46.330 1.00 0.00 C ATOM 1467 CE LYS A 97 59.897 16.742 46.214 1.00 0.00 C ATOM 1468 NZ LYS A 97 59.281 15.772 45.271 1.00 0.00 N ATOM 0 H LYS A 97 56.399 21.731 47.823 1.00 0.00 H new ATOM 0 HA LYS A 97 57.712 20.043 45.785 1.00 0.00 H new ATOM 0 HB2 LYS A 97 58.183 19.888 48.300 1.00 0.00 H new ATOM 0 HB3 LYS A 97 56.572 19.214 48.446 1.00 0.00 H new ATOM 0 HG2 LYS A 97 58.299 17.446 48.243 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.132 17.376 46.937 1.00 0.00 H new ATOM 0 HD2 LYS A 97 58.671 18.285 45.353 1.00 0.00 H new ATOM 0 HD3 LYS A 97 59.759 18.852 46.604 1.00 0.00 H new ATOM 0 HE2 LYS A 97 60.908 16.977 45.881 1.00 0.00 H new ATOM 0 HE3 LYS A 97 59.985 16.282 47.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 59.796 14.870 45.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 58.287 15.616 45.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 59.329 16.150 44.303 1.00 0.00 H new ATOM 1482 N GLN A 98 54.703 20.538 45.727 1.00 0.00 N ATOM 1483 CA GLN A 98 53.588 20.399 44.812 1.00 0.00 C ATOM 1484 C GLN A 98 54.087 20.380 43.358 1.00 0.00 C ATOM 1485 O GLN A 98 53.684 19.513 42.578 1.00 0.00 O ATOM 1486 CB GLN A 98 52.557 21.499 44.988 1.00 0.00 C ATOM 1487 CG GLN A 98 52.255 21.863 46.434 1.00 0.00 C ATOM 1488 CD GLN A 98 51.101 22.843 46.459 1.00 0.00 C ATOM 1489 OE1 GLN A 98 51.088 23.873 45.797 1.00 0.00 O ATOM 1490 NE2 GLN A 98 50.050 22.525 47.163 1.00 0.00 N ATOM 0 H GLN A 98 54.663 21.402 46.268 1.00 0.00 H new ATOM 0 HA GLN A 98 53.102 19.452 45.045 1.00 0.00 H new ATOM 0 HB2 GLN A 98 52.906 22.391 44.468 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.630 21.190 44.504 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.003 20.969 47.004 1.00 0.00 H new ATOM 0 HG3 GLN A 98 53.134 22.303 46.904 1.00 0.00 H new ATOM 0 HE21 GLN A 98 50.048 21.670 47.719 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.230 23.132 47.158 1.00 0.00 H new ATOM 1499 N CYS A 99 54.998 21.309 43.051 1.00 0.00 N ATOM 1500 CA CYS A 99 55.489 21.662 41.723 1.00 0.00 C ATOM 1501 C CYS A 99 57.036 21.601 41.550 1.00 0.00 C ATOM 1502 O CYS A 99 57.508 21.510 40.414 1.00 0.00 O ATOM 1503 CB CYS A 99 54.904 23.044 41.399 1.00 0.00 C ATOM 1504 SG CYS A 99 54.886 24.199 42.802 1.00 0.00 S ATOM 0 H CYS A 99 55.440 21.871 43.778 1.00 0.00 H new ATOM 0 HA CYS A 99 55.154 20.910 41.009 1.00 0.00 H new ATOM 0 HB2 CYS A 99 55.480 23.487 40.586 1.00 0.00 H new ATOM 0 HB3 CYS A 99 53.884 22.917 41.035 1.00 0.00 H new ATOM 0 HG CYS A 99 54.441 23.589 43.860 1.00 0.00 H new ATOM 1509 N GLU A 100 57.805 21.524 42.642 1.00 0.00 N ATOM 1510 CA GLU A 100 59.274 21.383 42.709 1.00 0.00 C ATOM 1511 C GLU A 100 60.082 22.652 42.375 1.00 0.00 C ATOM 1512 O GLU A 100 60.937 22.647 41.483 1.00 0.00 O ATOM 1513 CB GLU A 100 59.763 20.104 42.001 1.00 0.00 C ATOM 1514 CG GLU A 100 59.252 18.858 42.728 1.00 0.00 C ATOM 1515 CD GLU A 100 59.290 17.567 41.910 1.00 0.00 C ATOM 1516 OE1 GLU A 100 59.260 17.617 40.650 1.00 0.00 O ATOM 1517 OE2 GLU A 100 59.255 16.491 42.552 1.00 0.00 O ATOM 0 H GLU A 100 57.392 21.561 43.574 1.00 0.00 H new ATOM 0 HA GLU A 100 59.498 21.252 43.768 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.415 20.098 40.968 1.00 0.00 H new ATOM 0 HB3 GLU A 100 60.853 20.093 41.970 1.00 0.00 H new ATOM 0 HG2 GLU A 100 59.845 18.715 43.631 1.00 0.00 H new ATOM 0 HG3 GLU A 100 58.225 19.038 43.046 1.00 0.00 H new ATOM 1524 N ALA A 101 59.874 23.725 43.150 1.00 0.00 N ATOM 1525 CA ALA A 101 60.744 24.906 43.137 1.00 0.00 C ATOM 1526 C ALA A 101 60.912 25.594 44.503 1.00 0.00 C ATOM 1527 O ALA A 101 59.953 25.750 45.257 1.00 0.00 O ATOM 1528 CB ALA A 101 60.227 25.896 42.084 1.00 0.00 C ATOM 0 H ALA A 101 59.095 23.797 43.805 1.00 0.00 H new ATOM 0 HA ALA A 101 61.744 24.556 42.880 1.00 0.00 H new ATOM 0 HB1 ALA A 101 60.868 26.777 42.067 1.00 0.00 H new ATOM 0 HB2 ALA A 101 60.237 25.422 41.103 1.00 0.00 H new ATOM 0 HB3 ALA A 101 59.208 26.193 42.333 1.00 0.00 H new ATOM 1534 N HIS A 102 62.125 26.069 44.817 1.00 0.00 N ATOM 1535 CA HIS A 102 62.374 26.883 46.007 1.00 0.00 C ATOM 1536 C HIS A 102 61.720 28.271 45.893 1.00 0.00 C ATOM 1537 O HIS A 102 62.045 29.079 45.014 1.00 0.00 O ATOM 1538 CB HIS A 102 63.861 26.885 46.389 1.00 0.00 C ATOM 1539 CG HIS A 102 64.777 27.786 45.604 1.00 0.00 C ATOM 1540 ND1 HIS A 102 65.735 28.611 46.149 1.00 0.00 N ATOM 1541 CD2 HIS A 102 64.890 27.882 44.244 1.00 0.00 C ATOM 1542 CE1 HIS A 102 66.430 29.171 45.152 1.00 0.00 C ATOM 1543 NE2 HIS A 102 65.909 28.804 43.969 1.00 0.00 N ATOM 0 H HIS A 102 62.957 25.898 44.252 1.00 0.00 H new ATOM 0 HA HIS A 102 61.876 26.420 46.859 1.00 0.00 H new ATOM 0 HB2 HIS A 102 63.938 27.160 47.441 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.233 25.865 46.298 1.00 0.00 H new ATOM 0 HD1 HIS A 102 65.889 28.769 47.145 1.00 0.00 H new ATOM 0 HD2 HIS A 102 64.301 27.345 43.515 1.00 0.00 H new ATOM 0 HE1 HIS A 102 67.283 29.821 45.279 1.00 0.00 H new ATOM 1551 N LEU A 103 60.746 28.524 46.772 1.00 0.00 N ATOM 1552 CA LEU A 103 59.725 29.557 46.576 1.00 0.00 C ATOM 1553 C LEU A 103 60.031 30.865 47.290 1.00 0.00 C ATOM 1554 O LEU A 103 59.790 31.963 46.789 1.00 0.00 O ATOM 1555 CB LEU A 103 58.348 28.986 46.982 1.00 0.00 C ATOM 1556 CG LEU A 103 57.245 29.266 45.959 1.00 0.00 C ATOM 1557 CD1 LEU A 103 57.435 28.417 44.700 1.00 0.00 C ATOM 1558 CD2 LEU A 103 55.874 28.965 46.560 1.00 0.00 C ATOM 0 H LEU A 103 60.643 28.012 47.648 1.00 0.00 H new ATOM 0 HA LEU A 103 59.717 29.819 45.518 1.00 0.00 H new ATOM 0 HB2 LEU A 103 58.437 27.909 47.122 1.00 0.00 H new ATOM 0 HB3 LEU A 103 58.057 29.410 47.943 1.00 0.00 H new ATOM 0 HG LEU A 103 57.305 30.320 45.689 1.00 0.00 H new ATOM 0 HD11 LEU A 103 56.638 28.636 43.990 1.00 0.00 H new ATOM 0 HD12 LEU A 103 58.399 28.649 44.247 1.00 0.00 H new ATOM 0 HD13 LEU A 103 57.404 27.360 44.966 1.00 0.00 H new ATOM 0 HD21 LEU A 103 55.100 29.169 45.820 1.00 0.00 H new ATOM 0 HD22 LEU A 103 55.828 27.916 46.854 1.00 0.00 H new ATOM 0 HD23 LEU A 103 55.714 29.594 47.435 1.00 0.00 H new ATOM 1570 N GLY A 104 60.618 30.701 48.454 1.00 0.00 N ATOM 1571 CA GLY A 104 60.851 31.698 49.462 1.00 0.00 C ATOM 1572 C GLY A 104 62.035 31.370 50.354 1.00 0.00 C ATOM 1573 O GLY A 104 62.442 30.216 50.506 1.00 0.00 O ATOM 0 H GLY A 104 60.973 29.788 48.739 1.00 0.00 H new ATOM 0 HA2 GLY A 104 61.021 32.661 48.981 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.957 31.802 50.077 1.00 0.00 H new ATOM 1577 N HIS A 105 62.605 32.410 50.940 1.00 0.00 N ATOM 1578 CA HIS A 105 63.790 32.316 51.778 1.00 0.00 C ATOM 1579 C HIS A 105 63.774 33.363 52.897 1.00 0.00 C ATOM 1580 O HIS A 105 63.242 34.460 52.745 1.00 0.00 O ATOM 1581 CB HIS A 105 65.062 32.376 50.920 1.00 0.00 C ATOM 1582 CG HIS A 105 64.883 32.509 49.422 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.844 33.677 48.698 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.687 31.482 48.539 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.634 33.363 47.410 1.00 0.00 C ATOM 1586 NE2 HIS A 105 64.514 32.031 47.258 1.00 0.00 N ATOM 0 H HIS A 105 62.250 33.362 50.845 1.00 0.00 H new ATOM 0 HA HIS A 105 63.786 31.347 52.277 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.662 33.219 51.264 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.641 31.473 51.112 1.00 0.00 H new ATOM 0 HD2 HIS A 105 64.669 30.431 48.785 1.00 0.00 H new ATOM 0 HE1 HIS A 105 64.570 34.081 46.606 1.00 0.00 H new ATOM 0 HE2 HIS A 105 64.334 31.525 46.391 1.00 0.00 H new ATOM 1594 N VAL A 106 64.325 32.998 54.050 1.00 0.00 N ATOM 1595 CA VAL A 106 63.990 33.578 55.350 1.00 0.00 C ATOM 1596 C VAL A 106 65.255 33.799 56.178 1.00 0.00 C ATOM 1597 O VAL A 106 66.149 32.949 56.252 1.00 0.00 O ATOM 1598 CB VAL A 106 63.011 32.670 56.117 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.497 33.333 57.399 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.817 32.195 55.275 1.00 0.00 C ATOM 0 H VAL A 106 65.037 32.270 54.110 1.00 0.00 H new ATOM 0 HA VAL A 106 63.508 34.540 55.177 1.00 0.00 H new ATOM 0 HB VAL A 106 63.600 31.790 56.375 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.810 32.657 57.908 1.00 0.00 H new ATOM 0 HG12 VAL A 106 63.338 33.557 58.055 1.00 0.00 H new ATOM 0 HG13 VAL A 106 61.977 34.257 57.147 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.172 31.560 55.883 1.00 0.00 H new ATOM 0 HG22 VAL A 106 61.251 33.059 54.926 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.179 31.628 54.417 1.00 0.00 H new ATOM 1610 N PHE A 107 65.313 34.976 56.787 1.00 0.00 N ATOM 1611 CA PHE A 107 66.465 35.443 57.572 1.00 0.00 C ATOM 1612 C PHE A 107 66.126 36.358 58.772 1.00 0.00 C ATOM 1613 O PHE A 107 65.148 37.109 58.714 1.00 0.00 O ATOM 1614 CB PHE A 107 67.450 36.151 56.626 1.00 0.00 C ATOM 1615 CG PHE A 107 66.873 37.313 55.832 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.915 38.623 56.351 1.00 0.00 C ATOM 1617 CD2 PHE A 107 66.301 37.088 54.565 1.00 0.00 C ATOM 1618 CE1 PHE A 107 66.391 39.696 55.609 1.00 0.00 C ATOM 1619 CE2 PHE A 107 65.779 38.161 53.821 1.00 0.00 C ATOM 1620 CZ PHE A 107 65.825 39.467 54.341 1.00 0.00 C ATOM 0 H PHE A 107 64.549 35.651 56.753 1.00 0.00 H new ATOM 0 HA PHE A 107 66.904 34.554 58.024 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.292 36.517 57.214 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.846 35.416 55.925 1.00 0.00 H new ATOM 0 HD1 PHE A 107 67.351 38.803 57.322 1.00 0.00 H new ATOM 0 HD2 PHE A 107 66.263 36.086 54.163 1.00 0.00 H new ATOM 0 HE1 PHE A 107 66.423 40.697 56.013 1.00 0.00 H new ATOM 0 HE2 PHE A 107 65.342 37.982 52.850 1.00 0.00 H new ATOM 0 HZ PHE A 107 65.427 40.292 53.769 1.00 0.00 H new ATOM 1630 N PRO A 108 66.964 36.364 59.832 1.00 0.00 N ATOM 1631 CA PRO A 108 66.940 37.363 60.903 1.00 0.00 C ATOM 1632 C PRO A 108 67.629 38.673 60.490 1.00 0.00 C ATOM 1633 O PRO A 108 68.486 38.694 59.609 1.00 0.00 O ATOM 1634 CB PRO A 108 67.645 36.692 62.084 1.00 0.00 C ATOM 1635 CG PRO A 108 68.706 35.837 61.389 1.00 0.00 C ATOM 1636 CD PRO A 108 68.013 35.385 60.104 1.00 0.00 C ATOM 0 HA PRO A 108 65.921 37.658 61.154 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.090 37.422 62.760 1.00 0.00 H new ATOM 0 HB3 PRO A 108 66.959 36.086 62.676 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.609 36.410 61.178 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.004 34.988 62.004 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.722 35.336 59.277 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.591 34.387 60.221 1.00 0.00 H new ATOM 1644 N ASP A 109 67.260 39.771 61.151 1.00 0.00 N ATOM 1645 CA ASP A 109 67.538 41.149 60.713 1.00 0.00 C ATOM 1646 C ASP A 109 68.299 42.031 61.724 1.00 0.00 C ATOM 1647 O ASP A 109 68.492 43.232 61.509 1.00 0.00 O ATOM 1648 CB ASP A 109 66.189 41.778 60.335 1.00 0.00 C ATOM 1649 CG ASP A 109 65.318 42.046 61.567 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.229 41.156 62.436 1.00 0.00 O ATOM 1651 OD2 ASP A 109 64.786 43.178 61.657 1.00 0.00 O ATOM 0 H ASP A 109 66.745 39.731 62.031 1.00 0.00 H new ATOM 0 HA ASP A 109 68.224 41.095 59.868 1.00 0.00 H new ATOM 0 HB2 ASP A 109 66.361 42.713 59.802 1.00 0.00 H new ATOM 0 HB3 ASP A 109 65.658 41.115 59.652 1.00 0.00 H new ATOM 1656 N GLY A 110 68.722 41.442 62.839 1.00 0.00 N ATOM 1657 CA GLY A 110 69.447 42.115 63.930 1.00 0.00 C ATOM 1658 C GLY A 110 68.917 41.848 65.344 1.00 0.00 C ATOM 1659 O GLY A 110 69.685 41.327 66.159 1.00 0.00 O ATOM 0 H GLY A 110 68.568 40.450 63.021 1.00 0.00 H new ATOM 0 HA2 GLY A 110 70.492 41.809 63.890 1.00 0.00 H new ATOM 0 HA3 GLY A 110 69.422 43.190 63.749 1.00 0.00 H new ATOM 1663 N PRO A 111 67.650 42.176 65.671 1.00 0.00 N ATOM 1664 CA PRO A 111 67.008 41.797 66.936 1.00 0.00 C ATOM 1665 C PRO A 111 66.884 40.266 67.103 1.00 0.00 C ATOM 1666 O PRO A 111 67.491 39.475 66.379 1.00 0.00 O ATOM 1667 CB PRO A 111 65.643 42.512 66.901 1.00 0.00 C ATOM 1668 CG PRO A 111 65.327 42.560 65.412 1.00 0.00 C ATOM 1669 CD PRO A 111 66.697 42.896 64.838 1.00 0.00 C ATOM 0 HA PRO A 111 67.598 42.097 67.802 1.00 0.00 H new ATOM 0 HB2 PRO A 111 64.884 41.963 67.458 1.00 0.00 H new ATOM 0 HB3 PRO A 111 65.698 43.510 67.336 1.00 0.00 H new ATOM 0 HG2 PRO A 111 64.945 41.609 65.040 1.00 0.00 H new ATOM 0 HG3 PRO A 111 64.582 43.318 65.172 1.00 0.00 H new ATOM 0 HD2 PRO A 111 66.773 42.587 63.796 1.00 0.00 H new ATOM 0 HD3 PRO A 111 66.883 43.970 64.866 1.00 0.00 H new ATOM 1677 N LYS A 112 66.072 39.841 68.080 1.00 0.00 N ATOM 1678 CA LYS A 112 65.649 38.440 68.246 1.00 0.00 C ATOM 1679 C LYS A 112 64.989 37.916 66.955 1.00 0.00 C ATOM 1680 O LYS A 112 64.463 38.720 66.183 1.00 0.00 O ATOM 1681 CB LYS A 112 64.698 38.341 69.456 1.00 0.00 C ATOM 1682 CG LYS A 112 65.416 38.031 70.781 1.00 0.00 C ATOM 1683 CD LYS A 112 66.490 39.034 71.234 1.00 0.00 C ATOM 1684 CE LYS A 112 65.916 40.427 71.531 1.00 0.00 C ATOM 1685 NZ LYS A 112 66.899 41.304 72.214 1.00 0.00 N ATOM 0 H LYS A 112 65.685 40.466 68.787 1.00 0.00 H new ATOM 0 HA LYS A 112 66.519 37.812 68.436 1.00 0.00 H new ATOM 0 HB2 LYS A 112 64.155 39.280 69.558 1.00 0.00 H new ATOM 0 HB3 LYS A 112 63.958 37.564 69.263 1.00 0.00 H new ATOM 0 HG2 LYS A 112 64.664 37.959 71.567 1.00 0.00 H new ATOM 0 HG3 LYS A 112 65.882 37.049 70.694 1.00 0.00 H new ATOM 0 HD2 LYS A 112 66.984 38.652 72.127 1.00 0.00 H new ATOM 0 HD3 LYS A 112 67.252 39.118 70.459 1.00 0.00 H new ATOM 0 HE2 LYS A 112 65.601 40.895 70.598 1.00 0.00 H new ATOM 0 HE3 LYS A 112 65.027 40.327 72.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 66.468 42.233 72.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 67.181 40.872 73.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 67.737 41.422 71.610 1.00 0.00 H new ATOM 1699 N PRO A 113 64.911 36.585 66.734 1.00 0.00 N ATOM 1700 CA PRO A 113 64.231 36.000 65.568 1.00 0.00 C ATOM 1701 C PRO A 113 62.745 36.390 65.439 1.00 0.00 C ATOM 1702 O PRO A 113 62.138 36.161 64.399 1.00 0.00 O ATOM 1703 CB PRO A 113 64.417 34.482 65.702 1.00 0.00 C ATOM 1704 CG PRO A 113 64.626 34.278 67.201 1.00 0.00 C ATOM 1705 CD PRO A 113 65.423 35.522 67.589 1.00 0.00 C ATOM 0 HA PRO A 113 64.670 36.390 64.650 1.00 0.00 H new ATOM 0 HB2 PRO A 113 63.544 33.938 65.341 1.00 0.00 H new ATOM 0 HB3 PRO A 113 65.273 34.130 65.126 1.00 0.00 H new ATOM 0 HG2 PRO A 113 63.680 34.216 67.739 1.00 0.00 H new ATOM 0 HG3 PRO A 113 65.174 33.360 67.414 1.00 0.00 H new ATOM 0 HD2 PRO A 113 65.287 35.764 68.643 1.00 0.00 H new ATOM 0 HD3 PRO A 113 66.491 35.370 67.432 1.00 0.00 H new ATOM 1713 N THR A 114 62.171 37.057 66.442 1.00 0.00 N ATOM 1714 CA THR A 114 60.895 37.786 66.351 1.00 0.00 C ATOM 1715 C THR A 114 60.855 38.813 65.203 1.00 0.00 C ATOM 1716 O THR A 114 59.773 39.136 64.725 1.00 0.00 O ATOM 1717 CB THR A 114 60.617 38.537 67.671 1.00 0.00 C ATOM 1718 OG1 THR A 114 61.372 38.015 68.750 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.143 38.465 68.055 1.00 0.00 C ATOM 0 H THR A 114 62.590 37.109 67.370 1.00 0.00 H new ATOM 0 HA THR A 114 60.135 37.030 66.154 1.00 0.00 H new ATOM 0 HB THR A 114 60.908 39.572 67.489 1.00 0.00 H new ATOM 0 HG1 THR A 114 61.168 38.519 69.566 1.00 0.00 H new ATOM 0 HG21 THR A 114 58.984 39.004 68.989 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.539 38.917 67.268 1.00 0.00 H new ATOM 0 HG23 THR A 114 58.851 37.423 68.183 1.00 0.00 H new ATOM 1727 N GLY A 115 62.012 39.318 64.752 1.00 0.00 N ATOM 1728 CA GLY A 115 62.159 40.247 63.622 1.00 0.00 C ATOM 1729 C GLY A 115 62.401 39.611 62.247 1.00 0.00 C ATOM 1730 O GLY A 115 62.577 40.342 61.268 1.00 0.00 O ATOM 0 H GLY A 115 62.906 39.081 65.181 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.259 40.859 63.562 1.00 0.00 H new ATOM 0 HA3 GLY A 115 62.988 40.921 63.838 1.00 0.00 H new ATOM 1734 N GLN A 116 62.414 38.274 62.152 1.00 0.00 N ATOM 1735 CA GLN A 116 62.692 37.543 60.909 1.00 0.00 C ATOM 1736 C GLN A 116 61.836 38.024 59.726 1.00 0.00 C ATOM 1737 O GLN A 116 60.633 38.264 59.846 1.00 0.00 O ATOM 1738 CB GLN A 116 62.506 36.029 61.089 1.00 0.00 C ATOM 1739 CG GLN A 116 63.737 35.316 61.667 1.00 0.00 C ATOM 1740 CD GLN A 116 63.998 33.994 60.968 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.958 33.820 60.234 1.00 0.00 O ATOM 1742 NE2 GLN A 116 63.143 33.017 61.147 1.00 0.00 N ATOM 0 H GLN A 116 62.229 37.662 62.947 1.00 0.00 H new ATOM 0 HA GLN A 116 63.736 37.754 60.675 1.00 0.00 H new ATOM 0 HB2 GLN A 116 61.654 35.853 61.746 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.261 35.586 60.124 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.611 35.960 61.567 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.590 35.142 62.733 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.337 33.150 61.758 1.00 0.00 H new ATOM 0 HE22 GLN A 116 63.284 32.123 60.676 1.00 0.00 H new ATOM 1751 N ARG A 117 62.461 38.114 58.549 1.00 0.00 N ATOM 1752 CA ARG A 117 61.821 38.503 57.292 1.00 0.00 C ATOM 1753 C ARG A 117 61.745 37.280 56.389 1.00 0.00 C ATOM 1754 O ARG A 117 62.757 36.632 56.121 1.00 0.00 O ATOM 1755 CB ARG A 117 62.583 39.651 56.602 1.00 0.00 C ATOM 1756 CG ARG A 117 63.117 40.766 57.522 1.00 0.00 C ATOM 1757 CD ARG A 117 62.026 41.479 58.335 1.00 0.00 C ATOM 1758 NE ARG A 117 62.609 42.516 59.210 1.00 0.00 N ATOM 1759 CZ ARG A 117 62.836 43.785 58.915 1.00 0.00 C ATOM 1760 NH1 ARG A 117 62.478 44.301 57.772 1.00 0.00 N ATOM 1761 NH2 ARG A 117 63.446 44.568 59.749 1.00 0.00 N ATOM 0 H ARG A 117 63.455 37.912 58.443 1.00 0.00 H new ATOM 0 HA ARG A 117 60.817 38.872 57.499 1.00 0.00 H new ATOM 0 HB2 ARG A 117 63.425 39.224 56.058 1.00 0.00 H new ATOM 0 HB3 ARG A 117 61.923 40.104 55.863 1.00 0.00 H new ATOM 0 HG2 ARG A 117 63.847 40.338 58.209 1.00 0.00 H new ATOM 0 HG3 ARG A 117 63.644 41.503 56.915 1.00 0.00 H new ATOM 0 HD2 ARG A 117 61.303 41.934 57.658 1.00 0.00 H new ATOM 0 HD3 ARG A 117 61.484 40.751 58.939 1.00 0.00 H new ATOM 0 HE ARG A 117 62.867 42.219 60.151 1.00 0.00 H new ATOM 0 HH11 ARG A 117 62.009 43.722 57.076 1.00 0.00 H new ATOM 0 HH12 ARG A 117 62.667 45.284 57.574 1.00 0.00 H new ATOM 0 HH21 ARG A 117 63.760 44.208 60.650 1.00 0.00 H new ATOM 0 HH22 ARG A 117 63.612 45.544 59.504 1.00 0.00 H new ATOM 1775 N PHE A 118 60.546 36.989 55.904 1.00 0.00 N ATOM 1776 CA PHE A 118 60.289 35.897 54.964 1.00 0.00 C ATOM 1777 C PHE A 118 60.137 36.472 53.549 1.00 0.00 C ATOM 1778 O PHE A 118 59.083 36.994 53.184 1.00 0.00 O ATOM 1779 CB PHE A 118 59.091 35.028 55.401 1.00 0.00 C ATOM 1780 CG PHE A 118 58.787 34.954 56.892 1.00 0.00 C ATOM 1781 CD1 PHE A 118 58.076 35.993 57.523 1.00 0.00 C ATOM 1782 CD2 PHE A 118 59.186 33.837 57.647 1.00 0.00 C ATOM 1783 CE1 PHE A 118 57.838 35.952 58.909 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.948 33.792 59.034 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.287 34.858 59.667 1.00 0.00 C ATOM 0 H PHE A 118 59.707 37.512 56.155 1.00 0.00 H new ATOM 0 HA PHE A 118 61.141 35.218 54.960 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.201 35.401 54.894 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.261 34.013 55.041 1.00 0.00 H new ATOM 0 HD1 PHE A 118 57.711 36.826 56.940 1.00 0.00 H new ATOM 0 HD2 PHE A 118 59.678 33.008 57.160 1.00 0.00 H new ATOM 0 HE1 PHE A 118 57.310 36.762 59.390 1.00 0.00 H new ATOM 0 HE2 PHE A 118 59.273 32.939 59.611 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.124 34.836 60.734 1.00 0.00 H new ATOM 1795 N CYS A 119 61.213 36.419 52.765 1.00 0.00 N ATOM 1796 CA CYS A 119 61.228 36.838 51.367 1.00 0.00 C ATOM 1797 C CYS A 119 60.574 35.771 50.475 1.00 0.00 C ATOM 1798 O CYS A 119 60.682 34.573 50.745 1.00 0.00 O ATOM 1799 CB CYS A 119 62.662 37.139 50.956 1.00 0.00 C ATOM 1800 SG CYS A 119 62.732 37.896 49.307 1.00 0.00 S ATOM 0 H CYS A 119 62.116 36.076 53.092 1.00 0.00 H new ATOM 0 HA CYS A 119 60.640 37.747 51.242 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.118 37.808 51.685 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.245 36.218 50.960 1.00 0.00 H new ATOM 0 HG CYS A 119 61.842 38.840 49.225 1.00 0.00 H new ATOM 1806 N ILE A 120 59.935 36.198 49.388 1.00 0.00 N ATOM 1807 CA ILE A 120 59.344 35.316 48.369 1.00 0.00 C ATOM 1808 C ILE A 120 59.862 35.702 46.972 1.00 0.00 C ATOM 1809 O ILE A 120 60.292 36.837 46.769 1.00 0.00 O ATOM 1810 CB ILE A 120 57.796 35.371 48.478 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.044 34.216 47.797 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.230 36.722 48.000 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.169 32.885 48.547 1.00 0.00 C ATOM 0 H ILE A 120 59.808 37.189 49.181 1.00 0.00 H new ATOM 0 HA ILE A 120 59.646 34.282 48.538 1.00 0.00 H new ATOM 0 HB ILE A 120 57.614 35.254 49.546 1.00 0.00 H new ATOM 0 HG12 ILE A 120 55.990 34.479 47.711 1.00 0.00 H new ATOM 0 HG13 ILE A 120 57.425 34.091 46.783 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.144 36.715 48.094 1.00 0.00 H new ATOM 0 HG22 ILE A 120 57.642 37.526 48.610 1.00 0.00 H new ATOM 0 HG23 ILE A 120 57.503 36.882 46.957 1.00 0.00 H new ATOM 0 HD11 ILE A 120 56.615 32.113 48.013 1.00 0.00 H new ATOM 0 HD12 ILE A 120 58.219 32.600 48.610 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.761 32.994 49.552 1.00 0.00 H new ATOM 1825 N ASN A 121 59.826 34.779 46.010 1.00 0.00 N ATOM 1826 CA ASN A 121 60.230 35.017 44.618 1.00 0.00 C ATOM 1827 C ASN A 121 59.155 34.587 43.600 1.00 0.00 C ATOM 1828 O ASN A 121 58.349 33.706 43.889 1.00 0.00 O ATOM 1829 CB ASN A 121 61.585 34.343 44.351 1.00 0.00 C ATOM 1830 CG ASN A 121 61.462 33.020 43.621 1.00 0.00 C ATOM 1831 OD1 ASN A 121 61.723 32.935 42.437 1.00 0.00 O ATOM 1832 ND2 ASN A 121 61.087 31.956 44.282 1.00 0.00 N ATOM 0 H ASN A 121 59.509 33.824 46.177 1.00 0.00 H new ATOM 0 HA ASN A 121 60.341 36.092 44.479 1.00 0.00 H new ATOM 0 HB2 ASN A 121 62.209 35.017 43.765 1.00 0.00 H new ATOM 0 HB3 ASN A 121 62.096 34.180 45.300 1.00 0.00 H new ATOM 0 HD21 ASN A 121 61.014 31.058 43.804 1.00 0.00 H new ATOM 0 HD22 ASN A 121 60.867 32.024 45.276 1.00 0.00 H new ATOM 1839 N SER A 122 59.225 35.132 42.381 1.00 0.00 N ATOM 1840 CA SER A 122 58.208 34.936 41.330 1.00 0.00 C ATOM 1841 C SER A 122 58.747 34.352 40.010 1.00 0.00 C ATOM 1842 O SER A 122 58.081 34.491 38.987 1.00 0.00 O ATOM 1843 CB SER A 122 57.466 36.259 41.078 1.00 0.00 C ATOM 1844 OG SER A 122 56.963 36.784 42.291 1.00 0.00 O ATOM 0 H SER A 122 59.998 35.730 42.088 1.00 0.00 H new ATOM 0 HA SER A 122 57.522 34.179 41.710 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.141 36.979 40.616 1.00 0.00 H new ATOM 0 HB3 SER A 122 56.646 36.096 40.378 1.00 0.00 H new ATOM 0 HG SER A 122 56.495 37.627 42.114 1.00 0.00 H new ATOM 1850 N VAL A 123 59.930 33.709 40.006 1.00 0.00 N ATOM 1851 CA VAL A 123 60.733 33.347 38.802 1.00 0.00 C ATOM 1852 C VAL A 123 59.948 32.749 37.630 1.00 0.00 C ATOM 1853 O VAL A 123 60.225 33.052 36.471 1.00 0.00 O ATOM 1854 CB VAL A 123 61.876 32.380 39.205 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.408 31.036 39.788 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.836 32.082 38.052 1.00 0.00 C ATOM 0 H VAL A 123 60.379 33.411 40.872 1.00 0.00 H new ATOM 0 HA VAL A 123 61.119 34.296 38.430 1.00 0.00 H new ATOM 0 HB VAL A 123 62.389 32.932 39.992 1.00 0.00 H new ATOM 0 HG11 VAL A 123 62.276 30.427 40.040 1.00 0.00 H new ATOM 0 HG12 VAL A 123 60.817 31.215 40.686 1.00 0.00 H new ATOM 0 HG13 VAL A 123 60.799 30.512 39.051 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.615 31.400 38.394 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.286 31.623 37.230 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.292 33.011 37.709 1.00 0.00 H new ATOM 1866 N ALA A 124 58.982 31.896 37.949 1.00 0.00 N ATOM 1867 CA ALA A 124 58.182 31.122 36.996 1.00 0.00 C ATOM 1868 C ALA A 124 56.767 30.798 37.526 1.00 0.00 C ATOM 1869 O ALA A 124 56.200 29.750 37.208 1.00 0.00 O ATOM 1870 CB ALA A 124 58.974 29.863 36.618 1.00 0.00 C ATOM 0 H ALA A 124 58.721 31.714 38.918 1.00 0.00 H new ATOM 0 HA ALA A 124 58.007 31.722 36.103 1.00 0.00 H new ATOM 0 HB1 ALA A 124 58.397 29.270 35.908 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.922 30.152 36.164 1.00 0.00 H new ATOM 0 HB3 ALA A 124 59.166 29.272 37.513 1.00 0.00 H new ATOM 1876 N LEU A 125 56.212 31.675 38.368 1.00 0.00 N ATOM 1877 CA LEU A 125 54.916 31.518 39.029 1.00 0.00 C ATOM 1878 C LEU A 125 53.902 32.506 38.435 1.00 0.00 C ATOM 1879 O LEU A 125 54.264 33.382 37.643 1.00 0.00 O ATOM 1880 CB LEU A 125 55.088 31.728 40.549 1.00 0.00 C ATOM 1881 CG LEU A 125 56.192 30.887 41.216 1.00 0.00 C ATOM 1882 CD1 LEU A 125 56.275 31.234 42.700 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.959 29.383 41.069 1.00 0.00 C ATOM 0 H LEU A 125 56.674 32.550 38.617 1.00 0.00 H new ATOM 0 HA LEU A 125 54.534 30.511 38.863 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.299 32.782 40.730 1.00 0.00 H new ATOM 0 HB3 LEU A 125 54.140 31.504 41.038 1.00 0.00 H new ATOM 0 HG LEU A 125 57.126 31.128 40.708 1.00 0.00 H new ATOM 0 HD11 LEU A 125 57.057 30.638 43.170 1.00 0.00 H new ATOM 0 HD12 LEU A 125 56.508 32.293 42.814 1.00 0.00 H new ATOM 0 HD13 LEU A 125 55.319 31.020 43.178 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.768 28.840 41.558 1.00 0.00 H new ATOM 0 HD22 LEU A 125 55.010 29.115 41.533 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.933 29.120 40.011 1.00 0.00 H new ATOM 1895 N LYS A 126 52.632 32.396 38.834 1.00 0.00 N ATOM 1896 CA LYS A 126 51.575 33.350 38.460 1.00 0.00 C ATOM 1897 C LYS A 126 51.006 34.119 39.653 1.00 0.00 C ATOM 1898 O LYS A 126 51.053 33.684 40.799 1.00 0.00 O ATOM 1899 CB LYS A 126 50.518 32.681 37.570 1.00 0.00 C ATOM 1900 CG LYS A 126 50.506 33.231 36.131 1.00 0.00 C ATOM 1901 CD LYS A 126 51.833 33.119 35.350 1.00 0.00 C ATOM 1902 CE LYS A 126 52.594 34.455 35.321 1.00 0.00 C ATOM 1903 NZ LYS A 126 53.925 34.330 34.696 1.00 0.00 N ATOM 0 H LYS A 126 52.302 31.637 39.431 1.00 0.00 H new ATOM 0 HA LYS A 126 52.034 34.129 37.851 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.703 31.607 37.541 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.533 32.823 38.015 1.00 0.00 H new ATOM 0 HG2 LYS A 126 49.732 32.707 35.570 1.00 0.00 H new ATOM 0 HG3 LYS A 126 50.217 34.281 36.168 1.00 0.00 H new ATOM 0 HD2 LYS A 126 52.460 32.354 35.807 1.00 0.00 H new ATOM 0 HD3 LYS A 126 51.628 32.795 34.330 1.00 0.00 H new ATOM 0 HE2 LYS A 126 52.007 35.193 34.774 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.707 34.828 36.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 54.262 35.270 34.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 54.592 33.918 35.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 53.860 33.714 33.861 1.00 0.00 H new ATOM 1917 N PHE A 127 50.571 35.343 39.379 1.00 0.00 N ATOM 1918 CA PHE A 127 50.223 36.340 40.381 1.00 0.00 C ATOM 1919 C PHE A 127 49.304 37.398 39.769 1.00 0.00 C ATOM 1920 O PHE A 127 49.584 37.890 38.675 1.00 0.00 O ATOM 1921 CB PHE A 127 51.519 36.956 40.937 1.00 0.00 C ATOM 1922 CG PHE A 127 52.593 37.297 39.908 1.00 0.00 C ATOM 1923 CD1 PHE A 127 52.600 38.548 39.264 1.00 0.00 C ATOM 1924 CD2 PHE A 127 53.586 36.348 39.584 1.00 0.00 C ATOM 1925 CE1 PHE A 127 53.585 38.848 38.304 1.00 0.00 C ATOM 1926 CE2 PHE A 127 54.560 36.639 38.612 1.00 0.00 C ATOM 1927 CZ PHE A 127 54.564 37.893 37.976 1.00 0.00 C ATOM 0 H PHE A 127 50.447 35.678 38.424 1.00 0.00 H new ATOM 0 HA PHE A 127 49.679 35.879 41.205 1.00 0.00 H new ATOM 0 HB2 PHE A 127 51.262 37.866 41.479 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.946 36.263 41.662 1.00 0.00 H new ATOM 0 HD1 PHE A 127 51.846 39.282 39.507 1.00 0.00 H new ATOM 0 HD2 PHE A 127 53.598 35.392 40.086 1.00 0.00 H new ATOM 0 HE1 PHE A 127 53.589 39.813 37.819 1.00 0.00 H new ATOM 0 HE2 PHE A 127 55.304 35.900 38.354 1.00 0.00 H new ATOM 0 HZ PHE A 127 55.317 38.122 37.237 1.00 0.00 H new ATOM 1937 N LYS A 128 48.210 37.750 40.452 1.00 0.00 N ATOM 1938 CA LYS A 128 47.237 38.765 40.015 1.00 0.00 C ATOM 1939 C LYS A 128 46.656 39.554 41.196 1.00 0.00 C ATOM 1940 O LYS A 128 46.579 39.006 42.301 1.00 0.00 O ATOM 1941 CB LYS A 128 46.133 38.113 39.165 1.00 0.00 C ATOM 1942 CG LYS A 128 45.260 37.077 39.899 1.00 0.00 C ATOM 1943 CD LYS A 128 44.104 36.615 38.999 1.00 0.00 C ATOM 1944 CE LYS A 128 42.975 37.658 38.959 1.00 0.00 C ATOM 1945 NZ LYS A 128 42.254 37.635 37.667 1.00 0.00 N ATOM 0 H LYS A 128 47.967 37.328 41.348 1.00 0.00 H new ATOM 0 HA LYS A 128 47.764 39.489 39.394 1.00 0.00 H new ATOM 0 HB2 LYS A 128 45.485 38.899 38.776 1.00 0.00 H new ATOM 0 HB3 LYS A 128 46.597 37.629 38.306 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.868 36.220 40.189 1.00 0.00 H new ATOM 0 HG3 LYS A 128 44.863 37.511 40.817 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.475 36.439 37.989 1.00 0.00 H new ATOM 0 HD3 LYS A 128 43.712 35.666 39.365 1.00 0.00 H new ATOM 0 HE2 LYS A 128 42.273 37.466 39.771 1.00 0.00 H new ATOM 0 HE3 LYS A 128 43.391 38.651 39.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 41.500 38.351 37.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 42.919 37.843 36.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 41.836 36.694 37.520 1.00 0.00 H new ATOM 1959 N PRO A 129 46.232 40.814 40.997 1.00 0.00 N ATOM 1960 CA PRO A 129 45.605 41.596 42.053 1.00 0.00 C ATOM 1961 C PRO A 129 44.165 41.149 42.335 1.00 0.00 C ATOM 1962 O PRO A 129 43.569 40.370 41.590 1.00 0.00 O ATOM 1963 CB PRO A 129 45.671 43.048 41.577 1.00 0.00 C ATOM 1964 CG PRO A 129 45.540 42.897 40.064 1.00 0.00 C ATOM 1965 CD PRO A 129 46.320 41.611 39.778 1.00 0.00 C ATOM 0 HA PRO A 129 46.123 41.461 43.003 1.00 0.00 H new ATOM 0 HB2 PRO A 129 44.866 43.651 41.997 1.00 0.00 H new ATOM 0 HB3 PRO A 129 46.609 43.527 41.859 1.00 0.00 H new ATOM 0 HG2 PRO A 129 44.498 42.814 39.755 1.00 0.00 H new ATOM 0 HG3 PRO A 129 45.962 43.751 39.535 1.00 0.00 H new ATOM 0 HD2 PRO A 129 45.894 41.076 38.929 1.00 0.00 H new ATOM 0 HD3 PRO A 129 47.358 41.830 39.528 1.00 0.00 H new ATOM 1973 N SER A 130 43.614 41.662 43.435 1.00 0.00 N ATOM 1974 CA SER A 130 42.231 41.408 43.866 1.00 0.00 C ATOM 1975 C SER A 130 41.258 42.412 43.263 1.00 0.00 C ATOM 1976 O SER A 130 40.148 42.065 42.872 1.00 0.00 O ATOM 1977 CB SER A 130 42.129 41.463 45.384 1.00 0.00 C ATOM 1978 OG SER A 130 41.597 40.257 45.890 1.00 0.00 O ATOM 0 H SER A 130 44.124 42.279 44.067 1.00 0.00 H new ATOM 0 HA SER A 130 41.962 40.412 43.513 1.00 0.00 H new ATOM 0 HB2 SER A 130 43.115 41.641 45.814 1.00 0.00 H new ATOM 0 HB3 SER A 130 41.496 42.299 45.681 1.00 0.00 H new ATOM 0 HG SER A 130 41.540 40.309 46.867 1.00 0.00 H new ATOM 1984 N LYS A 131 41.668 43.682 43.220 1.00 0.00 N ATOM 1985 CA LYS A 131 40.900 44.771 42.630 1.00 0.00 C ATOM 1986 C LYS A 131 40.758 44.605 41.099 1.00 0.00 C ATOM 1987 O LYS A 131 41.680 44.084 40.471 1.00 0.00 O ATOM 1988 CB LYS A 131 41.532 46.130 42.974 1.00 0.00 C ATOM 1989 CG LYS A 131 41.797 46.395 44.467 1.00 0.00 C ATOM 1990 CD LYS A 131 40.629 46.119 45.429 1.00 0.00 C ATOM 1991 CE LYS A 131 39.332 46.883 45.139 1.00 0.00 C ATOM 1992 NZ LYS A 131 39.512 48.350 45.209 1.00 0.00 N ATOM 0 H LYS A 131 42.563 43.984 43.604 1.00 0.00 H new ATOM 0 HA LYS A 131 39.898 44.736 43.058 1.00 0.00 H new ATOM 0 HB2 LYS A 131 42.477 46.215 42.438 1.00 0.00 H new ATOM 0 HB3 LYS A 131 40.880 46.917 42.596 1.00 0.00 H new ATOM 0 HG2 LYS A 131 42.646 45.785 44.777 1.00 0.00 H new ATOM 0 HG3 LYS A 131 42.095 47.437 44.581 1.00 0.00 H new ATOM 0 HD2 LYS A 131 40.412 45.051 45.410 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.952 46.360 46.442 1.00 0.00 H new ATOM 0 HE2 LYS A 131 38.968 46.612 44.148 1.00 0.00 H new ATOM 0 HE3 LYS A 131 38.567 46.579 45.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 38.607 48.821 45.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 39.834 48.615 46.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 40.222 48.646 44.509 1.00 0.00 H new