USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=28 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 40 CYS SG : rot -141:sc= -3.38! USER MOD Set 1.2: A 43 CYS SG : rot -140:sc= -4.47! USER MOD Set 1.3: A 45 SER OG : rot -84:sc= 1.38 USER MOD Set 1.4: A 96 CYS SG : rot -160:sc= -7.11! USER MOD Set 1.5: A 98 GLN : amide:sc= 0.817 K(o=-22,f=-27) USER MOD Set 1.6: A 99 CYS SG : rot 3:sc= -9.17! USER MOD Set 2.1: A 50 SER OG : rot 60:sc= 0.769 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -175:sc= 0.886 (180deg=0) USER MOD Set 3.1: A 35 THR OG1 : rot 19:sc= 1.23 USER MOD Set 3.2: A 131 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0) USER MOD Single : A 37 MET CE :methyl -123:sc= 0 (180deg=-0.0722) USER MOD Single : A 38 TYR OH : rot 103:sc= -0.0126 USER MOD Single : A 39 HIS : no HE2:sc= 0.334 K(o=0.33,f=-1.4) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0733 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 1.01 (180deg=1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00534 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0139 USER MOD Single : A 92 MET CE :methyl 168:sc= 0 (180deg=-0.0887) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 105 HIS : no HE2:sc= 0.487 K(o=0.49,f=-2.2!) USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00779) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 116 GLN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : A 119 CYS SG : rot 55:sc=-0.00176 USER MOD Single : A 121 ASN : amide:sc= 0.199 K(o=0.2,f=-3.8!) USER MOD Single : A 122 SER OG : rot -164:sc= 1.55 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 43.985 44.189 46.625 1.00 0.00 N ATOM 559 CA THR A 35 44.131 42.871 47.251 1.00 0.00 C ATOM 560 C THR A 35 44.353 41.813 46.179 1.00 0.00 C ATOM 561 O THR A 35 43.858 41.966 45.062 1.00 0.00 O ATOM 562 CB THR A 35 42.839 42.493 47.986 1.00 0.00 C ATOM 563 OG1 THR A 35 42.235 43.594 48.618 1.00 0.00 O ATOM 564 CG2 THR A 35 43.029 41.416 49.050 1.00 0.00 C ATOM 0 HA THR A 35 44.974 42.916 47.941 1.00 0.00 H new ATOM 0 HB THR A 35 42.200 42.108 47.192 1.00 0.00 H new ATOM 0 HG1 THR A 35 42.577 44.424 48.225 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.072 41.202 49.526 1.00 0.00 H new ATOM 0 HG22 THR A 35 43.414 40.509 48.585 1.00 0.00 H new ATOM 0 HG23 THR A 35 43.737 41.767 49.801 1.00 0.00 H new ATOM 572 N GLY A 36 45.002 40.699 46.519 1.00 0.00 N ATOM 573 CA GLY A 36 45.120 39.565 45.585 1.00 0.00 C ATOM 574 C GLY A 36 45.843 38.340 46.140 1.00 0.00 C ATOM 575 O GLY A 36 45.948 38.190 47.358 1.00 0.00 O ATOM 0 H GLY A 36 45.452 40.552 47.423 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.119 39.266 45.273 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.645 39.903 44.692 1.00 0.00 H new ATOM 579 N MET A 37 46.364 37.483 45.258 1.00 0.00 N ATOM 580 CA MET A 37 47.090 36.252 45.594 1.00 0.00 C ATOM 581 C MET A 37 48.057 35.814 44.484 1.00 0.00 C ATOM 582 O MET A 37 47.979 36.282 43.345 1.00 0.00 O ATOM 583 CB MET A 37 46.084 35.129 45.912 1.00 0.00 C ATOM 584 CG MET A 37 45.263 34.679 44.696 1.00 0.00 C ATOM 585 SD MET A 37 44.033 33.400 45.065 1.00 0.00 S ATOM 586 CE MET A 37 42.796 34.407 45.925 1.00 0.00 C ATOM 0 H MET A 37 46.290 37.632 44.252 1.00 0.00 H new ATOM 0 HA MET A 37 47.701 36.459 46.473 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.624 34.271 46.313 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.404 35.471 46.693 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.755 35.546 44.274 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.943 34.304 43.931 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.619 33.996 46.919 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.159 35.431 46.015 1.00 0.00 H new ATOM 0 HE3 MET A 37 41.865 34.401 45.359 1.00 0.00 H new ATOM 596 N TYR A 38 48.927 34.866 44.820 1.00 0.00 N ATOM 597 CA TYR A 38 49.598 33.988 43.870 1.00 0.00 C ATOM 598 C TYR A 38 49.303 32.505 44.140 1.00 0.00 C ATOM 599 O TYR A 38 49.071 32.074 45.275 1.00 0.00 O ATOM 600 CB TYR A 38 51.099 34.317 43.732 1.00 0.00 C ATOM 601 CG TYR A 38 52.091 33.703 44.713 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.342 32.314 44.713 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.850 34.535 45.559 1.00 0.00 C ATOM 604 CE1 TYR A 38 53.254 31.750 45.624 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.785 33.980 46.456 1.00 0.00 C ATOM 606 CZ TYR A 38 53.962 32.578 46.513 1.00 0.00 C ATOM 607 OH TYR A 38 54.847 32.033 47.384 1.00 0.00 O ATOM 0 H TYR A 38 49.191 34.683 45.788 1.00 0.00 H new ATOM 0 HA TYR A 38 49.171 34.187 42.887 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.407 34.025 42.728 1.00 0.00 H new ATOM 0 HB3 TYR A 38 51.204 35.400 43.795 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.829 31.678 44.007 1.00 0.00 H new ATOM 0 HD2 TYR A 38 52.715 35.606 45.520 1.00 0.00 H new ATOM 0 HE1 TYR A 38 53.410 30.681 45.640 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.366 34.625 47.099 1.00 0.00 H new ATOM 0 HH TYR A 38 55.759 32.180 47.058 1.00 0.00 H new ATOM 617 N HIS A 39 49.345 31.734 43.061 1.00 0.00 N ATOM 618 CA HIS A 39 49.282 30.278 43.019 1.00 0.00 C ATOM 619 C HIS A 39 50.297 29.742 42.000 1.00 0.00 C ATOM 620 O HIS A 39 50.823 30.489 41.168 1.00 0.00 O ATOM 621 CB HIS A 39 47.848 29.835 42.693 1.00 0.00 C ATOM 622 CG HIS A 39 47.312 30.279 41.358 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.561 29.696 40.136 1.00 0.00 N ATOM 624 CD2 HIS A 39 46.382 31.263 41.153 1.00 0.00 C ATOM 625 CE1 HIS A 39 46.778 30.298 39.224 1.00 0.00 C ATOM 626 NE2 HIS A 39 46.047 31.273 39.795 1.00 0.00 N ATOM 0 H HIS A 39 49.430 32.137 42.128 1.00 0.00 H new ATOM 0 HA HIS A 39 49.545 29.863 43.992 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.805 28.747 42.737 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.186 30.211 43.473 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.222 28.941 39.955 1.00 0.00 H new ATOM 0 HD2 HIS A 39 45.977 31.919 41.910 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.741 30.035 38.177 1.00 0.00 H new ATOM 634 N CYS A 40 50.592 28.451 42.060 1.00 0.00 N ATOM 635 CA CYS A 40 51.542 27.827 41.173 1.00 0.00 C ATOM 636 C CYS A 40 51.159 27.878 39.677 1.00 0.00 C ATOM 637 O CYS A 40 50.036 28.185 39.259 1.00 0.00 O ATOM 638 CB CYS A 40 51.700 26.397 41.676 1.00 0.00 C ATOM 639 SG CYS A 40 52.681 26.316 43.198 1.00 0.00 S ATOM 0 H CYS A 40 50.172 27.810 42.733 1.00 0.00 H new ATOM 0 HA CYS A 40 52.481 28.379 41.200 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.715 25.965 41.856 1.00 0.00 H new ATOM 0 HB3 CYS A 40 52.177 25.792 40.905 1.00 0.00 H new ATOM 0 HG CYS A 40 53.455 25.272 43.160 1.00 0.00 H new ATOM 644 N VAL A 41 52.162 27.489 38.893 1.00 0.00 N ATOM 645 CA VAL A 41 52.097 27.203 37.449 1.00 0.00 C ATOM 646 C VAL A 41 52.396 25.722 37.131 1.00 0.00 C ATOM 647 O VAL A 41 52.349 25.323 35.972 1.00 0.00 O ATOM 648 CB VAL A 41 53.013 28.194 36.698 1.00 0.00 C ATOM 649 CG1 VAL A 41 54.500 27.856 36.862 1.00 0.00 C ATOM 650 CG2 VAL A 41 52.680 28.335 35.208 1.00 0.00 C ATOM 0 H VAL A 41 53.102 27.355 39.265 1.00 0.00 H new ATOM 0 HA VAL A 41 51.077 27.355 37.096 1.00 0.00 H new ATOM 0 HB VAL A 41 52.814 29.156 37.171 1.00 0.00 H new ATOM 0 HG11 VAL A 41 55.101 28.583 36.315 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.766 27.887 37.919 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.692 26.857 36.469 1.00 0.00 H new ATOM 0 HG21 VAL A 41 53.365 29.047 34.748 1.00 0.00 H new ATOM 0 HG22 VAL A 41 52.782 27.366 34.719 1.00 0.00 H new ATOM 0 HG23 VAL A 41 51.656 28.692 35.096 1.00 0.00 H new ATOM 660 N CYS A 42 52.716 24.910 38.149 1.00 0.00 N ATOM 661 CA CYS A 42 53.246 23.550 38.005 1.00 0.00 C ATOM 662 C CYS A 42 52.440 22.453 38.734 1.00 0.00 C ATOM 663 O CYS A 42 52.612 21.277 38.407 1.00 0.00 O ATOM 664 CB CYS A 42 54.691 23.564 38.519 1.00 0.00 C ATOM 665 SG CYS A 42 55.817 24.342 37.324 1.00 0.00 S ATOM 0 H CYS A 42 52.609 25.192 39.124 1.00 0.00 H new ATOM 0 HA CYS A 42 53.177 23.287 36.950 1.00 0.00 H new ATOM 0 HB2 CYS A 42 54.736 24.102 39.466 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.018 22.543 38.717 1.00 0.00 H new ATOM 0 HG CYS A 42 57.027 24.335 37.799 1.00 0.00 H new ATOM 671 N CYS A 43 51.591 22.787 39.707 1.00 0.00 N ATOM 672 CA CYS A 43 50.821 21.848 40.503 1.00 0.00 C ATOM 673 C CYS A 43 49.304 22.168 40.473 1.00 0.00 C ATOM 674 O CYS A 43 48.604 21.824 39.516 1.00 0.00 O ATOM 675 CB CYS A 43 51.474 21.830 41.900 1.00 0.00 C ATOM 676 SG CYS A 43 51.643 23.484 42.589 1.00 0.00 S ATOM 0 H CYS A 43 51.419 23.758 39.967 1.00 0.00 H new ATOM 0 HA CYS A 43 50.850 20.837 40.097 1.00 0.00 H new ATOM 0 HB2 CYS A 43 50.874 21.217 42.572 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.457 21.363 41.835 1.00 0.00 H new ATOM 0 HG CYS A 43 52.792 23.589 43.189 1.00 0.00 H new ATOM 681 N ASP A 44 48.824 22.796 41.541 1.00 0.00 N ATOM 682 CA ASP A 44 47.415 23.045 41.871 1.00 0.00 C ATOM 683 C ASP A 44 47.213 24.190 42.879 1.00 0.00 C ATOM 684 O ASP A 44 46.199 24.891 42.826 1.00 0.00 O ATOM 685 CB ASP A 44 46.843 21.776 42.522 1.00 0.00 C ATOM 686 CG ASP A 44 46.267 20.789 41.512 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.139 21.027 41.016 1.00 0.00 O ATOM 688 OD2 ASP A 44 46.897 19.731 41.275 1.00 0.00 O ATOM 0 H ASP A 44 49.449 23.173 42.253 1.00 0.00 H new ATOM 0 HA ASP A 44 46.918 23.319 40.940 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.629 21.283 43.094 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.063 22.058 43.229 1.00 0.00 H new ATOM 693 N SER A 45 48.128 24.324 43.840 1.00 0.00 N ATOM 694 CA SER A 45 47.898 24.992 45.125 1.00 0.00 C ATOM 695 C SER A 45 47.883 26.531 45.069 1.00 0.00 C ATOM 696 O SER A 45 48.885 27.159 44.711 1.00 0.00 O ATOM 697 CB SER A 45 48.922 24.511 46.170 1.00 0.00 C ATOM 698 OG SER A 45 50.136 24.036 45.612 1.00 0.00 O ATOM 0 H SER A 45 49.077 23.961 43.745 1.00 0.00 H new ATOM 0 HA SER A 45 46.888 24.704 45.416 1.00 0.00 H new ATOM 0 HB2 SER A 45 49.144 25.333 46.851 1.00 0.00 H new ATOM 0 HB3 SER A 45 48.472 23.716 46.765 1.00 0.00 H new ATOM 0 HG SER A 45 50.031 23.097 45.351 1.00 0.00 H new ATOM 704 N PRO A 46 46.801 27.188 45.538 1.00 0.00 N ATOM 705 CA PRO A 46 46.871 28.568 45.986 1.00 0.00 C ATOM 706 C PRO A 46 47.428 28.638 47.404 1.00 0.00 C ATOM 707 O PRO A 46 46.940 27.994 48.337 1.00 0.00 O ATOM 708 CB PRO A 46 45.461 29.123 45.893 1.00 0.00 C ATOM 709 CG PRO A 46 44.582 27.887 46.089 1.00 0.00 C ATOM 710 CD PRO A 46 45.438 26.693 45.649 1.00 0.00 C ATOM 0 HA PRO A 46 47.545 29.162 45.369 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.274 29.875 46.659 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.278 29.598 44.929 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.275 27.786 47.130 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.671 27.956 45.494 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.377 25.882 46.375 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.090 26.295 44.696 1.00 0.00 H new ATOM 718 N LEU A 47 48.461 29.462 47.531 1.00 0.00 N ATOM 719 CA LEU A 47 49.432 29.374 48.630 1.00 0.00 C ATOM 720 C LEU A 47 49.610 30.700 49.377 1.00 0.00 C ATOM 721 O LEU A 47 49.612 30.732 50.603 1.00 0.00 O ATOM 722 CB LEU A 47 50.752 28.823 48.040 1.00 0.00 C ATOM 723 CG LEU A 47 51.905 28.481 49.010 1.00 0.00 C ATOM 724 CD1 LEU A 47 52.689 29.700 49.504 1.00 0.00 C ATOM 725 CD2 LEU A 47 51.429 27.675 50.218 1.00 0.00 C ATOM 0 H LEU A 47 48.655 30.217 46.873 1.00 0.00 H new ATOM 0 HA LEU A 47 49.063 28.693 49.397 1.00 0.00 H new ATOM 0 HB2 LEU A 47 50.513 27.920 47.478 1.00 0.00 H new ATOM 0 HB3 LEU A 47 51.127 29.555 47.324 1.00 0.00 H new ATOM 0 HG LEU A 47 52.581 27.874 48.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 53.480 29.375 50.180 1.00 0.00 H new ATOM 0 HD12 LEU A 47 53.130 30.219 48.653 1.00 0.00 H new ATOM 0 HD13 LEU A 47 52.016 30.376 50.032 1.00 0.00 H new ATOM 0 HD21 LEU A 47 52.277 27.460 50.869 1.00 0.00 H new ATOM 0 HD22 LEU A 47 50.685 28.250 50.769 1.00 0.00 H new ATOM 0 HD23 LEU A 47 50.986 26.739 49.879 1.00 0.00 H new ATOM 737 N PHE A 48 49.739 31.811 48.660 1.00 0.00 N ATOM 738 CA PHE A 48 50.088 33.101 49.254 1.00 0.00 C ATOM 739 C PHE A 48 49.057 34.151 48.853 1.00 0.00 C ATOM 740 O PHE A 48 48.898 34.449 47.666 1.00 0.00 O ATOM 741 CB PHE A 48 51.472 33.479 48.744 1.00 0.00 C ATOM 742 CG PHE A 48 51.984 34.819 49.223 1.00 0.00 C ATOM 743 CD1 PHE A 48 52.638 34.908 50.461 1.00 0.00 C ATOM 744 CD2 PHE A 48 51.829 35.972 48.429 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.144 36.140 50.898 1.00 0.00 C ATOM 746 CE2 PHE A 48 52.356 37.202 48.858 1.00 0.00 C ATOM 747 CZ PHE A 48 53.011 37.288 50.099 1.00 0.00 C ATOM 0 H PHE A 48 49.605 31.845 47.649 1.00 0.00 H new ATOM 0 HA PHE A 48 50.094 33.042 50.342 1.00 0.00 H new ATOM 0 HB2 PHE A 48 52.179 32.707 49.048 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.453 33.482 47.654 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.751 34.028 51.077 1.00 0.00 H new ATOM 0 HD2 PHE A 48 51.303 35.911 47.487 1.00 0.00 H new ATOM 0 HE1 PHE A 48 53.639 36.207 51.855 1.00 0.00 H new ATOM 0 HE2 PHE A 48 52.258 38.079 48.236 1.00 0.00 H new ATOM 0 HZ PHE A 48 53.410 38.233 50.437 1.00 0.00 H new ATOM 757 N SER A 49 48.390 34.773 49.824 1.00 0.00 N ATOM 758 CA SER A 49 47.627 35.976 49.544 1.00 0.00 C ATOM 759 C SER A 49 48.572 37.171 49.544 1.00 0.00 C ATOM 760 O SER A 49 49.337 37.400 50.477 1.00 0.00 O ATOM 761 CB SER A 49 46.409 36.141 50.454 1.00 0.00 C ATOM 762 OG SER A 49 46.712 36.006 51.827 1.00 0.00 O ATOM 0 H SER A 49 48.365 34.465 50.796 1.00 0.00 H new ATOM 0 HA SER A 49 47.186 35.896 48.550 1.00 0.00 H new ATOM 0 HB2 SER A 49 45.967 37.122 50.282 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.658 35.400 50.181 1.00 0.00 H new ATOM 0 HG SER A 49 45.895 36.123 52.355 1.00 0.00 H new ATOM 768 N SER A 50 48.457 37.979 48.493 1.00 0.00 N ATOM 769 CA SER A 50 49.168 39.257 48.293 1.00 0.00 C ATOM 770 C SER A 50 48.890 40.256 49.412 1.00 0.00 C ATOM 771 O SER A 50 49.576 41.253 49.586 1.00 0.00 O ATOM 772 CB SER A 50 48.713 39.862 46.970 1.00 0.00 C ATOM 773 OG SER A 50 49.699 40.670 46.361 1.00 0.00 O ATOM 0 H SER A 50 47.837 37.757 47.714 1.00 0.00 H new ATOM 0 HA SER A 50 50.238 39.050 48.292 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.437 39.059 46.286 1.00 0.00 H new ATOM 0 HB3 SER A 50 47.817 40.459 47.140 1.00 0.00 H new ATOM 0 HG SER A 50 50.498 40.132 46.183 1.00 0.00 H new ATOM 779 N GLU A 51 47.871 39.957 50.200 1.00 0.00 N ATOM 780 CA GLU A 51 47.532 40.576 51.446 1.00 0.00 C ATOM 781 C GLU A 51 48.636 40.515 52.509 1.00 0.00 C ATOM 782 O GLU A 51 48.932 41.509 53.166 1.00 0.00 O ATOM 783 CB GLU A 51 46.301 39.811 51.939 1.00 0.00 C ATOM 784 CG GLU A 51 45.308 40.787 52.511 1.00 0.00 C ATOM 785 CD GLU A 51 44.251 40.158 53.435 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.537 39.142 54.116 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.120 40.686 53.489 1.00 0.00 O ATOM 0 H GLU A 51 47.215 39.215 49.955 1.00 0.00 H new ATOM 0 HA GLU A 51 47.365 41.641 51.287 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.850 39.255 51.117 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.590 39.082 52.696 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.850 41.552 53.068 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.799 41.291 51.689 1.00 0.00 H new ATOM 794 N LYS A 52 49.283 39.352 52.654 1.00 0.00 N ATOM 795 CA LYS A 52 50.411 39.116 53.572 1.00 0.00 C ATOM 796 C LYS A 52 51.716 39.774 53.108 1.00 0.00 C ATOM 797 O LYS A 52 52.734 39.662 53.790 1.00 0.00 O ATOM 798 CB LYS A 52 50.636 37.601 53.755 1.00 0.00 C ATOM 799 CG LYS A 52 49.392 36.762 54.093 1.00 0.00 C ATOM 800 CD LYS A 52 48.601 37.268 55.312 1.00 0.00 C ATOM 801 CE LYS A 52 47.287 37.916 54.875 1.00 0.00 C ATOM 802 NZ LYS A 52 46.400 38.305 55.992 1.00 0.00 N ATOM 0 H LYS A 52 49.030 38.521 52.120 1.00 0.00 H new ATOM 0 HA LYS A 52 50.139 39.578 54.521 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.075 37.207 52.838 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.371 37.458 54.547 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.731 36.747 53.226 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.701 35.733 54.276 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.395 36.438 55.988 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.201 37.990 55.867 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.512 38.801 54.280 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.752 37.223 54.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 45.511 38.689 55.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.194 37.471 56.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 46.870 39.029 56.572 1.00 0.00 H new ATOM 816 N LYS A 53 51.693 40.427 51.941 1.00 0.00 N ATOM 817 CA LYS A 53 52.829 41.078 51.280 1.00 0.00 C ATOM 818 C LYS A 53 53.124 42.428 51.929 1.00 0.00 C ATOM 819 O LYS A 53 52.221 43.221 52.193 1.00 0.00 O ATOM 820 CB LYS A 53 52.541 41.207 49.781 1.00 0.00 C ATOM 821 CG LYS A 53 53.778 41.370 48.882 1.00 0.00 C ATOM 822 CD LYS A 53 53.367 41.436 47.401 1.00 0.00 C ATOM 823 CE LYS A 53 52.632 42.744 47.087 1.00 0.00 C ATOM 824 NZ LYS A 53 51.796 42.645 45.866 1.00 0.00 N ATOM 0 H LYS A 53 50.832 40.521 51.402 1.00 0.00 H new ATOM 0 HA LYS A 53 53.724 40.468 51.400 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.991 40.323 49.457 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.886 42.064 49.627 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.316 42.277 49.156 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.461 40.535 49.039 1.00 0.00 H new ATOM 0 HD2 LYS A 53 54.253 41.353 46.771 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.725 40.588 47.161 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.002 43.016 47.934 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.360 43.545 46.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 51.387 43.576 45.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 52.383 42.330 45.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 51.030 41.959 46.024 1.00 0.00 H new ATOM 838 N TYR A 54 54.402 42.713 52.130 1.00 0.00 N ATOM 839 CA TYR A 54 54.894 43.959 52.732 1.00 0.00 C ATOM 840 C TYR A 54 55.020 45.083 51.685 1.00 0.00 C ATOM 841 O TYR A 54 56.092 45.620 51.403 1.00 0.00 O ATOM 842 CB TYR A 54 56.134 43.673 53.594 1.00 0.00 C ATOM 843 CG TYR A 54 55.866 43.570 55.088 1.00 0.00 C ATOM 844 CD1 TYR A 54 54.708 42.929 55.578 1.00 0.00 C ATOM 845 CD2 TYR A 54 56.784 44.133 55.998 1.00 0.00 C ATOM 846 CE1 TYR A 54 54.450 42.894 56.960 1.00 0.00 C ATOM 847 CE2 TYR A 54 56.541 44.072 57.384 1.00 0.00 C ATOM 848 CZ TYR A 54 55.367 43.459 57.871 1.00 0.00 C ATOM 849 OH TYR A 54 55.128 43.399 59.209 1.00 0.00 O ATOM 0 H TYR A 54 55.152 42.071 51.874 1.00 0.00 H new ATOM 0 HA TYR A 54 54.162 44.363 53.431 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.586 42.741 53.256 1.00 0.00 H new ATOM 0 HB3 TYR A 54 56.866 44.463 53.425 1.00 0.00 H new ATOM 0 HD1 TYR A 54 54.018 42.464 54.890 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.678 44.614 55.630 1.00 0.00 H new ATOM 0 HE1 TYR A 54 53.545 42.432 57.326 1.00 0.00 H new ATOM 0 HE2 TYR A 54 57.255 44.495 58.075 1.00 0.00 H new ATOM 0 HH TYR A 54 55.861 43.835 59.692 1.00 0.00 H new ATOM 933 N PRO A 61 59.715 42.450 47.216 1.00 0.00 N ATOM 934 CA PRO A 61 59.063 41.161 47.441 1.00 0.00 C ATOM 935 C PRO A 61 59.406 40.519 48.790 1.00 0.00 C ATOM 936 O PRO A 61 60.387 39.804 48.995 1.00 0.00 O ATOM 937 CB PRO A 61 59.408 40.292 46.246 1.00 0.00 C ATOM 938 CG PRO A 61 60.730 40.874 45.749 1.00 0.00 C ATOM 939 CD PRO A 61 60.549 42.367 46.023 1.00 0.00 C ATOM 0 HA PRO A 61 57.984 41.293 47.515 1.00 0.00 H new ATOM 0 HB2 PRO A 61 59.512 39.244 46.529 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.635 40.340 45.479 1.00 0.00 H new ATOM 0 HG2 PRO A 61 61.584 40.462 46.287 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.892 40.671 44.690 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.510 42.855 46.182 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.074 42.866 45.178 1.00 0.00 H new ATOM 947 N SER A 62 58.485 40.765 49.707 1.00 0.00 N ATOM 948 CA SER A 62 58.536 40.506 51.131 1.00 0.00 C ATOM 949 C SER A 62 57.129 40.282 51.683 1.00 0.00 C ATOM 950 O SER A 62 56.124 40.610 51.047 1.00 0.00 O ATOM 951 CB SER A 62 59.203 41.690 51.821 1.00 0.00 C ATOM 952 OG SER A 62 58.543 42.912 51.549 1.00 0.00 O ATOM 0 H SER A 62 57.597 41.193 49.444 1.00 0.00 H new ATOM 0 HA SER A 62 59.115 39.602 51.320 1.00 0.00 H new ATOM 0 HB2 SER A 62 59.217 41.519 52.897 1.00 0.00 H new ATOM 0 HB3 SER A 62 60.241 41.760 51.495 1.00 0.00 H new ATOM 0 HG SER A 62 59.003 43.643 52.012 1.00 0.00 H new ATOM 958 N PHE A 63 57.043 39.679 52.861 1.00 0.00 N ATOM 959 CA PHE A 63 55.856 39.166 53.496 1.00 0.00 C ATOM 960 C PHE A 63 56.153 39.109 54.992 1.00 0.00 C ATOM 961 O PHE A 63 57.296 39.214 55.433 1.00 0.00 O ATOM 962 CB PHE A 63 55.543 37.769 52.943 1.00 0.00 C ATOM 963 CG PHE A 63 56.570 36.669 53.185 1.00 0.00 C ATOM 964 CD1 PHE A 63 57.693 36.538 52.346 1.00 0.00 C ATOM 965 CD2 PHE A 63 56.369 35.728 54.212 1.00 0.00 C ATOM 966 CE1 PHE A 63 58.582 35.457 52.511 1.00 0.00 C ATOM 967 CE2 PHE A 63 57.246 34.641 54.370 1.00 0.00 C ATOM 968 CZ PHE A 63 58.344 34.494 53.507 1.00 0.00 C ATOM 0 H PHE A 63 57.872 39.529 53.435 1.00 0.00 H new ATOM 0 HA PHE A 63 54.988 39.797 53.305 1.00 0.00 H new ATOM 0 HB2 PHE A 63 54.595 37.443 53.370 1.00 0.00 H new ATOM 0 HB3 PHE A 63 55.394 37.859 51.867 1.00 0.00 H new ATOM 0 HD1 PHE A 63 57.874 37.269 51.572 1.00 0.00 H new ATOM 0 HD2 PHE A 63 55.532 35.842 54.885 1.00 0.00 H new ATOM 0 HE1 PHE A 63 59.448 35.368 51.871 1.00 0.00 H new ATOM 0 HE2 PHE A 63 57.075 33.919 55.155 1.00 0.00 H new ATOM 0 HZ PHE A 63 59.003 33.644 53.608 1.00 0.00 H new ATOM 978 N SER A 64 55.101 38.893 55.749 1.00 0.00 N ATOM 979 CA SER A 64 55.168 38.472 57.155 1.00 0.00 C ATOM 980 C SER A 64 54.337 37.226 57.487 1.00 0.00 C ATOM 981 O SER A 64 54.488 36.664 58.575 1.00 0.00 O ATOM 982 CB SER A 64 54.806 39.635 58.063 1.00 0.00 C ATOM 983 OG SER A 64 53.432 39.954 57.942 1.00 0.00 O ATOM 0 H SER A 64 54.146 39.004 55.408 1.00 0.00 H new ATOM 0 HA SER A 64 56.201 38.172 57.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 55.036 39.381 59.098 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.411 40.505 57.807 1.00 0.00 H new ATOM 0 HG SER A 64 53.217 40.704 58.535 1.00 0.00 H new ATOM 989 N GLU A 65 53.533 36.735 56.534 1.00 0.00 N ATOM 990 CA GLU A 65 53.014 35.357 56.536 1.00 0.00 C ATOM 991 C GLU A 65 53.125 34.706 55.160 1.00 0.00 C ATOM 992 O GLU A 65 52.977 35.344 54.122 1.00 0.00 O ATOM 993 CB GLU A 65 51.558 35.223 56.988 1.00 0.00 C ATOM 994 CG GLU A 65 51.220 35.681 58.408 1.00 0.00 C ATOM 995 CD GLU A 65 49.986 34.921 58.914 1.00 0.00 C ATOM 996 OE1 GLU A 65 48.832 35.357 58.699 1.00 0.00 O ATOM 997 OE2 GLU A 65 50.168 33.850 59.539 1.00 0.00 O ATOM 0 H GLU A 65 53.221 37.285 55.734 1.00 0.00 H new ATOM 0 HA GLU A 65 53.646 34.851 57.266 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.936 35.788 56.294 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.270 34.176 56.894 1.00 0.00 H new ATOM 0 HG2 GLU A 65 52.067 35.501 59.070 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.029 36.754 58.419 1.00 0.00 H new ATOM 1004 N ALA A 66 53.330 33.397 55.194 1.00 0.00 N ATOM 1005 CA ALA A 66 53.185 32.467 54.088 1.00 0.00 C ATOM 1006 C ALA A 66 52.668 31.159 54.706 1.00 0.00 C ATOM 1007 O ALA A 66 53.372 30.501 55.469 1.00 0.00 O ATOM 1008 CB ALA A 66 54.537 32.299 53.379 1.00 0.00 C ATOM 0 H ALA A 66 53.621 32.928 56.052 1.00 0.00 H new ATOM 0 HA ALA A 66 52.487 32.815 53.326 1.00 0.00 H new ATOM 0 HB1 ALA A 66 54.428 31.601 52.549 1.00 0.00 H new ATOM 0 HB2 ALA A 66 54.871 33.265 53.000 1.00 0.00 H new ATOM 0 HB3 ALA A 66 55.272 31.912 54.085 1.00 0.00 H new ATOM 1162 N GLY A 78 50.433 21.676 50.314 1.00 0.00 N ATOM 1163 CA GLY A 78 51.355 20.560 50.113 1.00 0.00 C ATOM 1164 C GLY A 78 52.825 20.945 50.227 1.00 0.00 C ATOM 1165 O GLY A 78 53.689 20.212 49.747 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.135 19.783 50.846 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.178 20.128 49.128 1.00 0.00 H new ATOM 1169 N ILE A 79 53.097 22.096 50.844 1.00 0.00 N ATOM 1170 CA ILE A 79 54.428 22.708 50.891 1.00 0.00 C ATOM 1171 C ILE A 79 55.387 21.989 51.847 1.00 0.00 C ATOM 1172 O ILE A 79 55.043 21.026 52.540 1.00 0.00 O ATOM 1173 CB ILE A 79 54.333 24.229 51.167 1.00 0.00 C ATOM 1174 CG1 ILE A 79 53.632 24.623 52.481 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.667 24.933 49.975 1.00 0.00 C ATOM 1176 CD1 ILE A 79 54.393 24.261 53.761 1.00 0.00 C ATOM 0 H ILE A 79 52.387 22.640 51.334 1.00 0.00 H new ATOM 0 HA ILE A 79 54.870 22.585 49.902 1.00 0.00 H new ATOM 0 HB ILE A 79 55.363 24.563 51.293 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.458 25.699 52.473 1.00 0.00 H new ATOM 0 HG13 ILE A 79 52.654 24.142 52.511 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.602 26.003 50.174 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.260 24.766 49.076 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.665 24.530 49.828 1.00 0.00 H new ATOM 0 HD11 ILE A 79 53.817 24.580 54.629 1.00 0.00 H new ATOM 0 HD12 ILE A 79 54.544 23.182 53.802 1.00 0.00 H new ATOM 0 HD13 ILE A 79 55.360 24.763 53.763 1.00 0.00 H new ATOM 1188 N LEU A 80 56.618 22.485 51.897 1.00 0.00 N ATOM 1189 CA LEU A 80 57.670 22.058 52.809 1.00 0.00 C ATOM 1190 C LEU A 80 58.527 23.255 53.222 1.00 0.00 C ATOM 1191 O LEU A 80 58.381 24.377 52.741 1.00 0.00 O ATOM 1192 CB LEU A 80 58.510 20.950 52.167 1.00 0.00 C ATOM 1193 CG LEU A 80 58.590 19.685 53.026 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.014 18.516 52.154 1.00 0.00 C ATOM 1195 CD2 LEU A 80 59.541 19.800 54.219 1.00 0.00 C ATOM 0 H LEU A 80 56.923 23.231 51.272 1.00 0.00 H new ATOM 0 HA LEU A 80 57.219 21.647 53.713 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.085 20.696 51.196 1.00 0.00 H new ATOM 0 HB3 LEU A 80 59.518 21.324 51.987 1.00 0.00 H new ATOM 0 HG LEU A 80 57.595 19.531 53.443 1.00 0.00 H new ATOM 0 HD11 LEU A 80 59.073 17.612 52.760 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.283 18.372 51.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 59.991 18.724 51.717 1.00 0.00 H new ATOM 0 HD21 LEU A 80 59.541 18.863 54.776 1.00 0.00 H new ATOM 0 HD22 LEU A 80 60.549 20.009 53.862 1.00 0.00 H new ATOM 0 HD23 LEU A 80 59.211 20.610 54.870 1.00 0.00 H new ATOM 1207 N ARG A 81 59.409 23.015 54.179 1.00 0.00 N ATOM 1208 CA ARG A 81 60.370 23.965 54.703 1.00 0.00 C ATOM 1209 C ARG A 81 61.509 23.264 55.428 1.00 0.00 C ATOM 1210 O ARG A 81 61.361 22.130 55.878 1.00 0.00 O ATOM 1211 CB ARG A 81 59.666 25.004 55.581 1.00 0.00 C ATOM 1212 CG ARG A 81 58.699 24.558 56.677 1.00 0.00 C ATOM 1213 CD ARG A 81 57.322 24.139 56.132 1.00 0.00 C ATOM 1214 NE ARG A 81 56.249 24.180 57.144 1.00 0.00 N ATOM 1215 CZ ARG A 81 56.192 23.502 58.274 1.00 0.00 C ATOM 1216 NH1 ARG A 81 57.119 22.666 58.627 1.00 0.00 N ATOM 1217 NH2 ARG A 81 55.175 23.638 59.068 1.00 0.00 N ATOM 0 H ARG A 81 59.475 22.104 54.633 1.00 0.00 H new ATOM 0 HA ARG A 81 60.824 24.497 53.867 1.00 0.00 H new ATOM 0 HB2 ARG A 81 60.442 25.602 56.059 1.00 0.00 H new ATOM 0 HB3 ARG A 81 59.115 25.669 54.916 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.137 23.722 57.222 1.00 0.00 H new ATOM 0 HG3 ARG A 81 58.569 25.371 57.391 1.00 0.00 H new ATOM 0 HD2 ARG A 81 57.054 24.794 55.303 1.00 0.00 H new ATOM 0 HD3 ARG A 81 57.392 23.128 55.729 1.00 0.00 H new ATOM 0 HE ARG A 81 55.464 24.802 56.948 1.00 0.00 H new ATOM 0 HH11 ARG A 81 57.927 22.515 58.023 1.00 0.00 H new ATOM 0 HH12 ARG A 81 57.040 22.160 59.509 1.00 0.00 H new ATOM 0 HH21 ARG A 81 54.415 24.271 58.819 1.00 0.00 H new ATOM 0 HH22 ARG A 81 55.135 23.112 59.941 1.00 0.00 H new ATOM 1231 N ARG A 82 62.631 23.967 55.532 1.00 0.00 N ATOM 1232 CA ARG A 82 63.884 23.535 56.139 1.00 0.00 C ATOM 1233 C ARG A 82 64.580 24.767 56.705 1.00 0.00 C ATOM 1234 O ARG A 82 64.819 25.753 56.018 1.00 0.00 O ATOM 1235 CB ARG A 82 64.761 22.809 55.107 1.00 0.00 C ATOM 1236 CG ARG A 82 65.784 21.893 55.799 1.00 0.00 C ATOM 1237 CD ARG A 82 65.185 20.529 56.167 1.00 0.00 C ATOM 1238 NE ARG A 82 66.173 19.644 56.818 1.00 0.00 N ATOM 1239 CZ ARG A 82 66.024 18.352 57.051 1.00 0.00 C ATOM 1240 NH1 ARG A 82 64.956 17.718 56.671 1.00 0.00 N ATOM 1241 NH2 ARG A 82 66.954 17.697 57.683 1.00 0.00 N ATOM 0 H ARG A 82 62.693 24.918 55.170 1.00 0.00 H new ATOM 0 HA ARG A 82 63.695 22.825 56.944 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.132 22.219 54.441 1.00 0.00 H new ATOM 0 HB3 ARG A 82 65.282 23.540 54.489 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.641 21.746 55.141 1.00 0.00 H new ATOM 0 HG3 ARG A 82 66.154 22.381 56.701 1.00 0.00 H new ATOM 0 HD2 ARG A 82 64.335 20.675 56.834 1.00 0.00 H new ATOM 0 HD3 ARG A 82 64.804 20.046 55.267 1.00 0.00 H new ATOM 0 HE ARG A 82 67.051 20.070 57.115 1.00 0.00 H new ATOM 0 HH11 ARG A 82 64.213 18.218 56.183 1.00 0.00 H new ATOM 0 HH12 ARG A 82 64.861 16.720 56.861 1.00 0.00 H new ATOM 0 HH21 ARG A 82 67.795 18.181 57.997 1.00 0.00 H new ATOM 0 HH22 ARG A 82 66.842 16.700 57.864 1.00 0.00 H new ATOM 1255 N LEU A 83 64.874 24.713 57.992 1.00 0.00 N ATOM 1256 CA LEU A 83 65.852 25.575 58.624 1.00 0.00 C ATOM 1257 C LEU A 83 67.262 25.128 58.236 1.00 0.00 C ATOM 1258 O LEU A 83 67.525 23.931 58.127 1.00 0.00 O ATOM 1259 CB LEU A 83 65.722 25.549 60.145 1.00 0.00 C ATOM 1260 CG LEU A 83 64.535 26.290 60.766 1.00 0.00 C ATOM 1261 CD1 LEU A 83 63.163 25.713 60.402 1.00 0.00 C ATOM 1262 CD2 LEU A 83 64.658 26.269 62.290 1.00 0.00 C ATOM 0 H LEU A 83 64.432 24.058 58.636 1.00 0.00 H new ATOM 0 HA LEU A 83 65.670 26.593 58.279 1.00 0.00 H new ATOM 0 HB2 LEU A 83 65.670 24.507 60.460 1.00 0.00 H new ATOM 0 HB3 LEU A 83 66.637 25.965 60.568 1.00 0.00 H new ATOM 0 HG LEU A 83 64.581 27.300 60.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 62.382 26.300 60.885 1.00 0.00 H new ATOM 0 HD12 LEU A 83 63.028 25.750 59.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 63.102 24.679 60.740 1.00 0.00 H new ATOM 0 HD21 LEU A 83 63.812 26.797 62.731 1.00 0.00 H new ATOM 0 HD22 LEU A 83 64.664 25.237 62.640 1.00 0.00 H new ATOM 0 HD23 LEU A 83 65.586 26.758 62.587 1.00 0.00 H new ATOM 1274 N ASP A 84 68.176 26.082 58.133 1.00 0.00 N ATOM 1275 CA ASP A 84 69.578 25.828 57.728 1.00 0.00 C ATOM 1276 C ASP A 84 70.605 26.223 58.806 1.00 0.00 C ATOM 1277 O ASP A 84 71.787 26.435 58.539 1.00 0.00 O ATOM 1278 CB ASP A 84 69.858 26.404 56.323 1.00 0.00 C ATOM 1279 CG ASP A 84 70.621 25.462 55.381 1.00 0.00 C ATOM 1280 OD1 ASP A 84 70.765 24.246 55.660 1.00 0.00 O ATOM 1281 OD2 ASP A 84 71.014 25.927 54.288 1.00 0.00 O ATOM 0 H ASP A 84 67.979 27.064 58.326 1.00 0.00 H new ATOM 0 HA ASP A 84 69.711 24.749 57.643 1.00 0.00 H new ATOM 0 HB2 ASP A 84 68.908 26.669 55.858 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.428 27.327 56.431 1.00 0.00 H new ATOM 1286 N THR A 85 70.143 26.263 60.062 1.00 0.00 N ATOM 1287 CA THR A 85 70.855 26.610 61.311 1.00 0.00 C ATOM 1288 C THR A 85 71.866 25.529 61.745 1.00 0.00 C ATOM 1289 O THR A 85 71.964 25.134 62.904 1.00 0.00 O ATOM 1290 CB THR A 85 69.841 26.937 62.410 1.00 0.00 C ATOM 1291 OG1 THR A 85 68.841 27.800 61.903 1.00 0.00 O ATOM 1292 CG2 THR A 85 70.427 27.639 63.632 1.00 0.00 C ATOM 0 H THR A 85 69.168 26.032 60.254 1.00 0.00 H new ATOM 0 HA THR A 85 71.456 27.499 61.120 1.00 0.00 H new ATOM 0 HB THR A 85 69.456 25.966 62.723 1.00 0.00 H new ATOM 0 HG1 THR A 85 68.195 28.004 62.611 1.00 0.00 H new ATOM 0 HG21 THR A 85 69.635 27.830 64.356 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.188 27.005 64.086 1.00 0.00 H new ATOM 0 HG23 THR A 85 70.876 28.584 63.328 1.00 0.00 H new ATOM 1300 N SER A 86 72.593 24.996 60.770 1.00 0.00 N ATOM 1301 CA SER A 86 73.614 23.951 60.898 1.00 0.00 C ATOM 1302 C SER A 86 74.894 24.250 60.111 1.00 0.00 C ATOM 1303 O SER A 86 75.862 23.493 60.167 1.00 0.00 O ATOM 1304 CB SER A 86 73.014 22.614 60.462 1.00 0.00 C ATOM 1305 OG SER A 86 72.841 21.763 61.575 1.00 0.00 O ATOM 0 H SER A 86 72.481 25.299 59.803 1.00 0.00 H new ATOM 0 HA SER A 86 73.913 23.912 61.945 1.00 0.00 H new ATOM 0 HB2 SER A 86 72.055 22.782 59.972 1.00 0.00 H new ATOM 0 HB3 SER A 86 73.666 22.137 59.730 1.00 0.00 H new ATOM 0 HG SER A 86 72.455 20.912 61.279 1.00 0.00 H new ATOM 1311 N LEU A 87 74.905 25.381 59.407 1.00 0.00 N ATOM 1312 CA LEU A 87 76.013 25.896 58.587 1.00 0.00 C ATOM 1313 C LEU A 87 76.783 27.029 59.293 1.00 0.00 C ATOM 1314 O LEU A 87 77.433 27.868 58.669 1.00 0.00 O ATOM 1315 CB LEU A 87 75.470 26.306 57.207 1.00 0.00 C ATOM 1316 CG LEU A 87 74.765 25.192 56.411 1.00 0.00 C ATOM 1317 CD1 LEU A 87 74.307 25.733 55.059 1.00 0.00 C ATOM 1318 CD2 LEU A 87 75.667 23.982 56.154 1.00 0.00 C ATOM 0 H LEU A 87 74.096 26.002 59.389 1.00 0.00 H new ATOM 0 HA LEU A 87 76.749 25.105 58.443 1.00 0.00 H new ATOM 0 HB2 LEU A 87 74.769 27.130 57.342 1.00 0.00 H new ATOM 0 HB3 LEU A 87 76.298 26.687 56.609 1.00 0.00 H new ATOM 0 HG LEU A 87 73.920 24.867 57.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 73.809 24.941 54.500 1.00 0.00 H new ATOM 0 HD12 LEU A 87 73.613 26.559 55.214 1.00 0.00 H new ATOM 0 HD13 LEU A 87 75.171 26.086 54.496 1.00 0.00 H new ATOM 0 HD21 LEU A 87 75.115 23.230 55.589 1.00 0.00 H new ATOM 0 HD22 LEU A 87 76.542 24.295 55.584 1.00 0.00 H new ATOM 0 HD23 LEU A 87 75.987 23.558 57.106 1.00 0.00 H new ATOM 1330 N GLY A 88 76.654 27.102 60.618 1.00 0.00 N ATOM 1331 CA GLY A 88 77.266 28.129 61.469 1.00 0.00 C ATOM 1332 C GLY A 88 76.488 29.444 61.546 1.00 0.00 C ATOM 1333 O GLY A 88 76.800 30.288 62.383 1.00 0.00 O ATOM 0 H GLY A 88 76.103 26.427 61.148 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.376 27.728 62.477 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.269 28.338 61.098 1.00 0.00 H new ATOM 1337 N CYS A 89 75.461 29.605 60.714 1.00 0.00 N ATOM 1338 CA CYS A 89 74.589 30.778 60.668 1.00 0.00 C ATOM 1339 C CYS A 89 73.109 30.351 60.541 1.00 0.00 C ATOM 1340 O CYS A 89 72.816 29.461 59.741 1.00 0.00 O ATOM 1341 CB CYS A 89 75.057 31.659 59.502 1.00 0.00 C ATOM 1342 SG CYS A 89 74.300 33.304 59.594 1.00 0.00 S ATOM 0 H CYS A 89 75.203 28.896 60.028 1.00 0.00 H new ATOM 0 HA CYS A 89 74.653 31.353 61.592 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.143 31.752 59.523 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.796 31.186 58.555 1.00 0.00 H new ATOM 0 HG CYS A 89 74.715 34.029 58.598 1.00 0.00 H new ATOM 1348 N PRO A 90 72.164 30.927 61.310 1.00 0.00 N ATOM 1349 CA PRO A 90 70.753 30.553 61.256 1.00 0.00 C ATOM 1350 C PRO A 90 70.051 31.013 59.974 1.00 0.00 C ATOM 1351 O PRO A 90 70.245 32.143 59.520 1.00 0.00 O ATOM 1352 CB PRO A 90 70.106 31.178 62.500 1.00 0.00 C ATOM 1353 CG PRO A 90 71.002 32.380 62.792 1.00 0.00 C ATOM 1354 CD PRO A 90 72.384 31.855 62.407 1.00 0.00 C ATOM 0 HA PRO A 90 70.656 29.467 61.244 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.076 31.480 62.310 1.00 0.00 H new ATOM 0 HB3 PRO A 90 70.084 30.479 63.336 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.719 33.252 62.202 1.00 0.00 H new ATOM 0 HG3 PRO A 90 70.957 32.676 63.840 1.00 0.00 H new ATOM 0 HD2 PRO A 90 73.041 32.670 62.104 1.00 0.00 H new ATOM 0 HD3 PRO A 90 72.862 31.357 63.251 1.00 0.00 H new ATOM 1362 N ARG A 91 69.169 30.152 59.445 1.00 0.00 N ATOM 1363 CA ARG A 91 68.212 30.429 58.349 1.00 0.00 C ATOM 1364 C ARG A 91 66.915 29.650 58.536 1.00 0.00 C ATOM 1365 O ARG A 91 66.910 28.573 59.132 1.00 0.00 O ATOM 1366 CB ARG A 91 68.800 30.048 56.981 1.00 0.00 C ATOM 1367 CG ARG A 91 69.971 30.925 56.522 1.00 0.00 C ATOM 1368 CD ARG A 91 69.500 32.383 56.457 1.00 0.00 C ATOM 1369 NE ARG A 91 70.473 33.269 55.801 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.433 33.938 56.413 1.00 0.00 C ATOM 1371 NH1 ARG A 91 71.693 33.814 57.683 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.149 34.792 55.757 1.00 0.00 N ATOM 0 H ARG A 91 69.095 29.193 59.783 1.00 0.00 H new ATOM 0 HA ARG A 91 68.011 31.500 58.380 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.133 29.011 57.020 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.009 30.101 56.233 1.00 0.00 H new ATOM 0 HG2 ARG A 91 70.808 30.829 57.214 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.326 30.599 55.544 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.553 32.430 55.919 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.311 32.744 57.468 1.00 0.00 H new ATOM 0 HE ARG A 91 70.400 33.376 54.789 1.00 0.00 H new ATOM 0 HH11 ARG A 91 71.142 33.175 58.256 1.00 0.00 H new ATOM 0 HH12 ARG A 91 72.447 34.356 58.104 1.00 0.00 H new ATOM 0 HH21 ARG A 91 71.973 34.950 54.765 1.00 0.00 H new ATOM 0 HH22 ARG A 91 72.890 35.308 56.232 1.00 0.00 H new ATOM 1386 N MET A 92 65.846 30.165 57.940 1.00 0.00 N ATOM 1387 CA MET A 92 64.539 29.515 57.823 1.00 0.00 C ATOM 1388 C MET A 92 64.046 29.647 56.379 1.00 0.00 C ATOM 1389 O MET A 92 63.889 30.764 55.888 1.00 0.00 O ATOM 1390 CB MET A 92 63.534 30.161 58.791 1.00 0.00 C ATOM 1391 CG MET A 92 62.817 29.163 59.694 1.00 0.00 C ATOM 1392 SD MET A 92 61.157 29.670 60.230 1.00 0.00 S ATOM 1393 CE MET A 92 60.216 29.500 58.687 1.00 0.00 C ATOM 0 H MET A 92 65.864 31.087 57.505 1.00 0.00 H new ATOM 0 HA MET A 92 64.631 28.460 58.082 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.058 30.887 59.412 1.00 0.00 H new ATOM 0 HB3 MET A 92 62.792 30.712 58.214 1.00 0.00 H new ATOM 0 HG2 MET A 92 62.738 28.211 59.168 1.00 0.00 H new ATOM 0 HG3 MET A 92 63.431 28.989 60.578 1.00 0.00 H new ATOM 0 HE1 MET A 92 59.150 29.568 58.902 1.00 0.00 H new ATOM 0 HE2 MET A 92 60.499 30.296 57.998 1.00 0.00 H new ATOM 0 HE3 MET A 92 60.433 28.533 58.233 1.00 0.00 H new ATOM 1403 N GLU A 93 63.812 28.536 55.679 1.00 0.00 N ATOM 1404 CA GLU A 93 63.508 28.589 54.235 1.00 0.00 C ATOM 1405 C GLU A 93 62.369 27.631 53.845 1.00 0.00 C ATOM 1406 O GLU A 93 62.166 26.600 54.490 1.00 0.00 O ATOM 1407 CB GLU A 93 64.794 28.375 53.415 1.00 0.00 C ATOM 1408 CG GLU A 93 65.967 29.268 53.863 1.00 0.00 C ATOM 1409 CD GLU A 93 67.157 29.212 52.905 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.918 28.224 52.952 1.00 0.00 O ATOM 1411 OE2 GLU A 93 67.404 30.201 52.173 1.00 0.00 O ATOM 0 H GLU A 93 63.825 27.596 56.076 1.00 0.00 H new ATOM 0 HA GLU A 93 63.133 29.584 53.995 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.094 27.330 53.492 1.00 0.00 H new ATOM 0 HB3 GLU A 93 64.581 28.569 52.364 1.00 0.00 H new ATOM 0 HG2 GLU A 93 65.622 30.299 53.945 1.00 0.00 H new ATOM 0 HG3 GLU A 93 66.292 28.960 54.857 1.00 0.00 H new ATOM 1418 N VAL A 94 61.576 27.995 52.829 1.00 0.00 N ATOM 1419 CA VAL A 94 60.296 27.358 52.478 1.00 0.00 C ATOM 1420 C VAL A 94 60.182 27.070 50.976 1.00 0.00 C ATOM 1421 O VAL A 94 60.630 27.847 50.125 1.00 0.00 O ATOM 1422 CB VAL A 94 59.069 28.144 53.004 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.235 28.627 54.455 1.00 0.00 C ATOM 1424 CG2 VAL A 94 58.670 29.374 52.178 1.00 0.00 C ATOM 0 H VAL A 94 61.814 28.767 52.206 1.00 0.00 H new ATOM 0 HA VAL A 94 60.292 26.396 52.991 1.00 0.00 H new ATOM 0 HB VAL A 94 58.281 27.395 52.923 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.341 29.170 54.762 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.381 27.768 55.110 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.101 29.286 54.522 1.00 0.00 H new ATOM 0 HG21 VAL A 94 57.801 29.851 52.632 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.500 30.080 52.153 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.425 29.066 51.162 1.00 0.00 H new ATOM 1434 N VAL A 95 59.567 25.934 50.649 1.00 0.00 N ATOM 1435 CA VAL A 95 59.482 25.387 49.285 1.00 0.00 C ATOM 1436 C VAL A 95 58.096 24.800 49.034 1.00 0.00 C ATOM 1437 O VAL A 95 57.428 24.383 49.977 1.00 0.00 O ATOM 1438 CB VAL A 95 60.580 24.326 49.008 1.00 0.00 C ATOM 1439 CG1 VAL A 95 61.976 24.783 49.462 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.318 22.963 49.660 1.00 0.00 C ATOM 0 H VAL A 95 59.099 25.349 51.341 1.00 0.00 H new ATOM 0 HA VAL A 95 59.651 26.212 48.594 1.00 0.00 H new ATOM 0 HB VAL A 95 60.544 24.215 47.924 1.00 0.00 H new ATOM 0 HG11 VAL A 95 62.704 24.001 49.243 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.251 25.694 48.931 1.00 0.00 H new ATOM 0 HG13 VAL A 95 61.964 24.978 50.534 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.132 22.281 49.417 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.256 23.083 50.742 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.379 22.555 49.286 1.00 0.00 H new ATOM 1450 N CYS A 96 57.684 24.684 47.777 1.00 0.00 N ATOM 1451 CA CYS A 96 56.587 23.862 47.384 1.00 0.00 C ATOM 1452 C CYS A 96 57.153 22.496 46.990 1.00 0.00 C ATOM 1453 O CYS A 96 58.107 22.361 46.223 1.00 0.00 O ATOM 1454 CB CYS A 96 55.814 24.591 46.298 1.00 0.00 C ATOM 1455 SG CYS A 96 54.443 23.526 45.801 1.00 0.00 S ATOM 0 H CYS A 96 58.124 25.176 47.000 1.00 0.00 H new ATOM 0 HA CYS A 96 55.867 23.675 48.180 1.00 0.00 H new ATOM 0 HB2 CYS A 96 55.443 25.547 46.667 1.00 0.00 H new ATOM 0 HB3 CYS A 96 56.460 24.807 45.447 1.00 0.00 H new ATOM 0 HG CYS A 96 54.010 23.893 44.631 1.00 0.00 H new ATOM 1460 N LYS A 97 56.551 21.488 47.597 1.00 0.00 N ATOM 1461 CA LYS A 97 56.724 20.059 47.302 1.00 0.00 C ATOM 1462 C LYS A 97 55.689 19.547 46.291 1.00 0.00 C ATOM 1463 O LYS A 97 55.937 18.536 45.633 1.00 0.00 O ATOM 1464 CB LYS A 97 56.794 19.281 48.632 1.00 0.00 C ATOM 1465 CG LYS A 97 56.907 17.758 48.467 1.00 0.00 C ATOM 1466 CD LYS A 97 55.567 17.005 48.449 1.00 0.00 C ATOM 1467 CE LYS A 97 54.958 16.816 49.846 1.00 0.00 C ATOM 1468 NZ LYS A 97 54.004 15.681 49.864 1.00 0.00 N ATOM 0 H LYS A 97 55.887 21.645 48.355 1.00 0.00 H new ATOM 0 HA LYS A 97 57.671 19.888 46.789 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.651 19.638 49.204 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.903 19.506 49.219 1.00 0.00 H new ATOM 0 HG2 LYS A 97 57.438 17.547 47.539 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.517 17.364 49.280 1.00 0.00 H new ATOM 0 HD2 LYS A 97 54.860 17.550 47.823 1.00 0.00 H new ATOM 0 HD3 LYS A 97 55.713 16.028 47.989 1.00 0.00 H new ATOM 0 HE2 LYS A 97 55.752 16.639 50.571 1.00 0.00 H new ATOM 0 HE3 LYS A 97 54.447 17.730 50.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.608 15.576 50.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 53.235 15.863 49.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 54.500 14.807 49.597 1.00 0.00 H new ATOM 1482 N GLN A 98 54.564 20.238 46.107 1.00 0.00 N ATOM 1483 CA GLN A 98 53.614 19.947 45.039 1.00 0.00 C ATOM 1484 C GLN A 98 54.213 20.163 43.640 1.00 0.00 C ATOM 1485 O GLN A 98 54.008 19.331 42.750 1.00 0.00 O ATOM 1486 CB GLN A 98 52.289 20.689 45.194 1.00 0.00 C ATOM 1487 CG GLN A 98 51.597 20.347 46.511 1.00 0.00 C ATOM 1488 CD GLN A 98 50.107 20.653 46.467 1.00 0.00 C ATOM 1489 OE1 GLN A 98 49.621 21.431 45.660 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.312 20.024 47.298 1.00 0.00 N ATOM 0 H GLN A 98 54.287 21.020 46.700 1.00 0.00 H new ATOM 0 HA GLN A 98 53.392 18.884 45.137 1.00 0.00 H new ATOM 0 HB2 GLN A 98 52.466 21.763 45.145 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.632 20.436 44.362 1.00 0.00 H new ATOM 0 HG2 GLN A 98 51.744 19.290 46.734 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.059 20.911 47.321 1.00 0.00 H new ATOM 0 HE21 GLN A 98 49.700 19.371 47.979 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.306 20.188 47.264 1.00 0.00 H new ATOM 1499 N CYS A 99 55.010 21.216 43.495 1.00 0.00 N ATOM 1500 CA CYS A 99 55.624 21.678 42.260 1.00 0.00 C ATOM 1501 C CYS A 99 57.179 21.688 42.267 1.00 0.00 C ATOM 1502 O CYS A 99 57.787 21.989 41.239 1.00 0.00 O ATOM 1503 CB CYS A 99 54.985 23.042 41.949 1.00 0.00 C ATOM 1504 SG CYS A 99 54.692 24.097 43.392 1.00 0.00 S ATOM 0 H CYS A 99 55.259 21.806 44.289 1.00 0.00 H new ATOM 0 HA CYS A 99 55.424 20.968 41.457 1.00 0.00 H new ATOM 0 HB2 CYS A 99 55.629 23.577 41.251 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.035 22.874 41.442 1.00 0.00 H new ATOM 0 HG CYS A 99 55.141 23.506 44.460 1.00 0.00 H new ATOM 1509 N GLU A 100 57.828 21.336 43.385 1.00 0.00 N ATOM 1510 CA GLU A 100 59.292 21.391 43.580 1.00 0.00 C ATOM 1511 C GLU A 100 59.873 22.777 43.233 1.00 0.00 C ATOM 1512 O GLU A 100 60.652 22.935 42.290 1.00 0.00 O ATOM 1513 CB GLU A 100 60.001 20.211 42.888 1.00 0.00 C ATOM 1514 CG GLU A 100 61.389 20.008 43.501 1.00 0.00 C ATOM 1515 CD GLU A 100 62.241 18.975 42.753 1.00 0.00 C ATOM 1516 OE1 GLU A 100 62.471 19.125 41.528 1.00 0.00 O ATOM 1517 OE2 GLU A 100 62.710 18.011 43.397 1.00 0.00 O ATOM 0 H GLU A 100 57.336 20.993 44.210 1.00 0.00 H new ATOM 0 HA GLU A 100 59.495 21.265 44.644 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.408 19.303 42.999 1.00 0.00 H new ATOM 0 HB3 GLU A 100 60.090 20.405 41.819 1.00 0.00 H new ATOM 0 HG2 GLU A 100 61.916 20.962 43.513 1.00 0.00 H new ATOM 0 HG3 GLU A 100 61.277 19.693 44.538 1.00 0.00 H new ATOM 1524 N ALA A 101 59.466 23.800 43.987 1.00 0.00 N ATOM 1525 CA ALA A 101 59.860 25.187 43.773 1.00 0.00 C ATOM 1526 C ALA A 101 60.369 25.846 45.061 1.00 0.00 C ATOM 1527 O ALA A 101 59.735 25.776 46.109 1.00 0.00 O ATOM 1528 CB ALA A 101 58.683 25.941 43.144 1.00 0.00 C ATOM 0 H ALA A 101 58.838 23.680 44.782 1.00 0.00 H new ATOM 0 HA ALA A 101 60.704 25.223 43.084 1.00 0.00 H new ATOM 0 HB1 ALA A 101 58.964 26.981 42.978 1.00 0.00 H new ATOM 0 HB2 ALA A 101 58.422 25.479 42.192 1.00 0.00 H new ATOM 0 HB3 ALA A 101 57.824 25.900 43.814 1.00 0.00 H new ATOM 1534 N HIS A 102 61.520 26.514 44.994 1.00 0.00 N ATOM 1535 CA HIS A 102 62.122 27.215 46.129 1.00 0.00 C ATOM 1536 C HIS A 102 61.631 28.672 46.154 1.00 0.00 C ATOM 1537 O HIS A 102 62.052 29.482 45.320 1.00 0.00 O ATOM 1538 CB HIS A 102 63.650 27.091 46.024 1.00 0.00 C ATOM 1539 CG HIS A 102 64.179 25.677 45.887 1.00 0.00 C ATOM 1540 ND1 HIS A 102 65.332 25.314 45.230 1.00 0.00 N ATOM 1541 CD2 HIS A 102 63.603 24.518 46.334 1.00 0.00 C ATOM 1542 CE1 HIS A 102 65.453 23.978 45.287 1.00 0.00 C ATOM 1543 NE2 HIS A 102 64.420 23.446 45.957 1.00 0.00 N ATOM 0 H HIS A 102 62.069 26.585 44.137 1.00 0.00 H new ATOM 0 HA HIS A 102 61.820 26.771 47.077 1.00 0.00 H new ATOM 0 HB2 HIS A 102 63.987 27.672 45.165 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.096 27.544 46.910 1.00 0.00 H new ATOM 0 HD2 HIS A 102 62.676 24.444 46.884 1.00 0.00 H new ATOM 0 HE1 HIS A 102 66.266 23.413 44.855 1.00 0.00 H new ATOM 0 HE2 HIS A 102 64.262 22.458 46.153 1.00 0.00 H new ATOM 1551 N LEU A 103 60.690 29.004 47.051 1.00 0.00 N ATOM 1552 CA LEU A 103 59.861 30.215 46.901 1.00 0.00 C ATOM 1553 C LEU A 103 60.223 31.403 47.780 1.00 0.00 C ATOM 1554 O LEU A 103 60.204 32.558 47.344 1.00 0.00 O ATOM 1555 CB LEU A 103 58.365 29.858 47.021 1.00 0.00 C ATOM 1556 CG LEU A 103 57.835 28.868 45.970 1.00 0.00 C ATOM 1557 CD1 LEU A 103 56.330 28.685 46.141 1.00 0.00 C ATOM 1558 CD2 LEU A 103 58.119 29.334 44.540 1.00 0.00 C ATOM 0 H LEU A 103 60.483 28.455 47.885 1.00 0.00 H new ATOM 0 HA LEU A 103 60.086 30.575 45.897 1.00 0.00 H new ATOM 0 HB2 LEU A 103 58.187 29.439 48.012 1.00 0.00 H new ATOM 0 HB3 LEU A 103 57.783 30.777 46.955 1.00 0.00 H new ATOM 0 HG LEU A 103 58.355 27.923 46.128 1.00 0.00 H new ATOM 0 HD11 LEU A 103 55.962 27.983 45.393 1.00 0.00 H new ATOM 0 HD12 LEU A 103 56.122 28.296 47.138 1.00 0.00 H new ATOM 0 HD13 LEU A 103 55.830 29.645 46.014 1.00 0.00 H new ATOM 0 HD21 LEU A 103 57.726 28.602 43.834 1.00 0.00 H new ATOM 0 HD22 LEU A 103 57.639 30.297 44.369 1.00 0.00 H new ATOM 0 HD23 LEU A 103 59.195 29.435 44.397 1.00 0.00 H new ATOM 1570 N GLY A 104 60.552 31.091 49.012 1.00 0.00 N ATOM 1571 CA GLY A 104 60.565 31.994 50.139 1.00 0.00 C ATOM 1572 C GLY A 104 61.591 31.632 51.203 1.00 0.00 C ATOM 1573 O GLY A 104 61.908 30.470 51.440 1.00 0.00 O ATOM 0 H GLY A 104 60.834 30.145 49.269 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.767 33.004 49.782 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.574 32.008 50.593 1.00 0.00 H new ATOM 1577 N HIS A 105 62.097 32.663 51.861 1.00 0.00 N ATOM 1578 CA HIS A 105 63.160 32.568 52.845 1.00 0.00 C ATOM 1579 C HIS A 105 63.088 33.701 53.872 1.00 0.00 C ATOM 1580 O HIS A 105 62.506 34.756 53.619 1.00 0.00 O ATOM 1581 CB HIS A 105 64.529 32.545 52.142 1.00 0.00 C ATOM 1582 CG HIS A 105 64.582 32.722 50.641 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.132 33.788 49.897 1.00 0.00 N ATOM 1584 CD2 HIS A 105 65.149 31.834 49.772 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.426 33.553 48.610 1.00 0.00 C ATOM 1586 NE2 HIS A 105 65.053 32.369 48.476 1.00 0.00 N ATOM 0 H HIS A 105 61.768 33.618 51.719 1.00 0.00 H new ATOM 0 HA HIS A 105 63.030 31.635 53.393 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.142 33.328 52.588 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.005 31.594 52.379 1.00 0.00 H new ATOM 0 HD1 HIS A 105 63.657 34.614 50.261 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.594 30.886 50.035 1.00 0.00 H new ATOM 0 HE1 HIS A 105 64.192 34.221 47.794 1.00 0.00 H new ATOM 1594 N VAL A 106 63.714 33.491 55.026 1.00 0.00 N ATOM 1595 CA VAL A 106 63.839 34.501 56.087 1.00 0.00 C ATOM 1596 C VAL A 106 65.158 34.353 56.844 1.00 0.00 C ATOM 1597 O VAL A 106 65.652 33.254 57.112 1.00 0.00 O ATOM 1598 CB VAL A 106 62.606 34.536 57.018 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.282 33.200 57.680 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.723 35.577 58.138 1.00 0.00 C ATOM 0 H VAL A 106 64.158 32.603 55.260 1.00 0.00 H new ATOM 0 HA VAL A 106 63.864 35.478 55.604 1.00 0.00 H new ATOM 0 HB VAL A 106 61.800 34.803 56.334 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.404 33.313 58.316 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.081 32.453 56.912 1.00 0.00 H new ATOM 0 HG13 VAL A 106 63.130 32.879 58.285 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.825 35.550 58.755 1.00 0.00 H new ATOM 0 HG22 VAL A 106 63.594 35.352 58.754 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.834 36.570 57.702 1.00 0.00 H new ATOM 1610 N PHE A 107 65.741 35.509 57.145 1.00 0.00 N ATOM 1611 CA PHE A 107 66.990 35.655 57.902 1.00 0.00 C ATOM 1612 C PHE A 107 67.023 36.947 58.748 1.00 0.00 C ATOM 1613 O PHE A 107 66.315 37.904 58.418 1.00 0.00 O ATOM 1614 CB PHE A 107 68.190 35.577 56.941 1.00 0.00 C ATOM 1615 CG PHE A 107 68.464 36.797 56.075 1.00 0.00 C ATOM 1616 CD1 PHE A 107 67.646 37.081 54.964 1.00 0.00 C ATOM 1617 CD2 PHE A 107 69.574 37.619 56.348 1.00 0.00 C ATOM 1618 CE1 PHE A 107 67.930 38.188 54.142 1.00 0.00 C ATOM 1619 CE2 PHE A 107 69.860 38.721 55.524 1.00 0.00 C ATOM 1620 CZ PHE A 107 69.036 39.008 54.421 1.00 0.00 C ATOM 0 H PHE A 107 65.346 36.405 56.860 1.00 0.00 H new ATOM 0 HA PHE A 107 67.050 34.831 58.613 1.00 0.00 H new ATOM 0 HB2 PHE A 107 69.083 35.373 57.531 1.00 0.00 H new ATOM 0 HB3 PHE A 107 68.041 34.721 56.283 1.00 0.00 H new ATOM 0 HD1 PHE A 107 66.799 36.448 54.742 1.00 0.00 H new ATOM 0 HD2 PHE A 107 70.209 37.402 57.194 1.00 0.00 H new ATOM 0 HE1 PHE A 107 67.296 38.407 53.295 1.00 0.00 H new ATOM 0 HE2 PHE A 107 70.713 39.348 55.738 1.00 0.00 H new ATOM 0 HZ PHE A 107 69.253 39.857 53.790 1.00 0.00 H new ATOM 1630 N PRO A 108 67.806 37.001 59.845 1.00 0.00 N ATOM 1631 CA PRO A 108 68.042 38.223 60.614 1.00 0.00 C ATOM 1632 C PRO A 108 69.068 39.127 59.924 1.00 0.00 C ATOM 1633 O PRO A 108 70.133 38.661 59.516 1.00 0.00 O ATOM 1634 CB PRO A 108 68.520 37.754 61.988 1.00 0.00 C ATOM 1635 CG PRO A 108 69.254 36.450 61.675 1.00 0.00 C ATOM 1636 CD PRO A 108 68.484 35.874 60.480 1.00 0.00 C ATOM 0 HA PRO A 108 67.140 38.829 60.699 1.00 0.00 H new ATOM 0 HB2 PRO A 108 69.179 38.485 62.456 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.686 37.593 62.671 1.00 0.00 H new ATOM 0 HG2 PRO A 108 70.300 36.629 61.428 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.240 35.769 62.526 1.00 0.00 H new ATOM 0 HD2 PRO A 108 69.162 35.384 59.781 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.765 35.122 60.807 1.00 0.00 H new ATOM 1644 N ASP A 109 68.808 40.435 59.857 1.00 0.00 N ATOM 1645 CA ASP A 109 69.673 41.374 59.114 1.00 0.00 C ATOM 1646 C ASP A 109 71.009 41.714 59.798 1.00 0.00 C ATOM 1647 O ASP A 109 71.864 42.410 59.241 1.00 0.00 O ATOM 1648 CB ASP A 109 68.879 42.624 58.687 1.00 0.00 C ATOM 1649 CG ASP A 109 68.540 43.634 59.796 1.00 0.00 C ATOM 1650 OD1 ASP A 109 69.391 43.926 60.671 1.00 0.00 O ATOM 1651 OD2 ASP A 109 67.445 44.236 59.721 1.00 0.00 O ATOM 0 H ASP A 109 68.005 40.875 60.307 1.00 0.00 H new ATOM 0 HA ASP A 109 69.985 40.843 58.215 1.00 0.00 H new ATOM 0 HB2 ASP A 109 69.448 43.143 57.916 1.00 0.00 H new ATOM 0 HB3 ASP A 109 67.946 42.295 58.228 1.00 0.00 H new ATOM 1656 N GLY A 110 71.193 41.207 61.011 1.00 0.00 N ATOM 1657 CA GLY A 110 72.326 41.481 61.894 1.00 0.00 C ATOM 1658 C GLY A 110 72.104 41.057 63.354 1.00 0.00 C ATOM 1659 O GLY A 110 72.846 40.202 63.836 1.00 0.00 O ATOM 0 H GLY A 110 70.524 40.561 61.429 1.00 0.00 H new ATOM 0 HA2 GLY A 110 73.206 40.966 61.508 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.544 42.549 61.867 1.00 0.00 H new ATOM 1663 N PRO A 111 71.123 41.632 64.080 1.00 0.00 N ATOM 1664 CA PRO A 111 70.924 41.405 65.517 1.00 0.00 C ATOM 1665 C PRO A 111 70.231 40.055 65.818 1.00 0.00 C ATOM 1666 O PRO A 111 70.315 39.097 65.046 1.00 0.00 O ATOM 1667 CB PRO A 111 70.145 42.654 65.972 1.00 0.00 C ATOM 1668 CG PRO A 111 69.268 42.973 64.766 1.00 0.00 C ATOM 1669 CD PRO A 111 70.190 42.646 63.594 1.00 0.00 C ATOM 0 HA PRO A 111 71.855 41.300 66.073 1.00 0.00 H new ATOM 0 HB2 PRO A 111 69.549 42.455 66.863 1.00 0.00 H new ATOM 0 HB3 PRO A 111 70.814 43.480 66.214 1.00 0.00 H new ATOM 0 HG2 PRO A 111 68.362 42.367 64.751 1.00 0.00 H new ATOM 0 HG3 PRO A 111 68.954 44.017 64.757 1.00 0.00 H new ATOM 0 HD2 PRO A 111 69.620 42.274 62.742 1.00 0.00 H new ATOM 0 HD3 PRO A 111 70.722 43.536 63.258 1.00 0.00 H new ATOM 1677 N LYS A 112 69.571 39.946 66.980 1.00 0.00 N ATOM 1678 CA LYS A 112 68.682 38.823 67.351 1.00 0.00 C ATOM 1679 C LYS A 112 67.630 38.529 66.264 1.00 0.00 C ATOM 1680 O LYS A 112 67.304 39.428 65.487 1.00 0.00 O ATOM 1681 CB LYS A 112 68.003 39.134 68.704 1.00 0.00 C ATOM 1682 CG LYS A 112 68.650 38.438 69.915 1.00 0.00 C ATOM 1683 CD LYS A 112 70.109 38.788 70.219 1.00 0.00 C ATOM 1684 CE LYS A 112 70.154 40.180 70.839 1.00 0.00 C ATOM 1685 NZ LYS A 112 69.819 40.190 72.283 1.00 0.00 N ATOM 0 H LYS A 112 69.639 40.654 67.712 1.00 0.00 H new ATOM 0 HA LYS A 112 69.291 37.924 67.445 1.00 0.00 H new ATOM 0 HB2 LYS A 112 68.022 40.212 68.867 1.00 0.00 H new ATOM 0 HB3 LYS A 112 66.955 38.838 68.647 1.00 0.00 H new ATOM 0 HG2 LYS A 112 68.055 38.671 70.798 1.00 0.00 H new ATOM 0 HG3 LYS A 112 68.585 37.361 69.762 1.00 0.00 H new ATOM 0 HD2 LYS A 112 70.540 38.055 70.901 1.00 0.00 H new ATOM 0 HD3 LYS A 112 70.703 38.761 69.306 1.00 0.00 H new ATOM 0 HE2 LYS A 112 71.151 40.599 70.701 1.00 0.00 H new ATOM 0 HE3 LYS A 112 69.459 40.830 70.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 69.950 41.149 72.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 68.829 39.898 72.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 70.443 39.529 72.789 1.00 0.00 H new ATOM 1699 N PRO A 113 67.014 37.326 66.246 1.00 0.00 N ATOM 1700 CA PRO A 113 65.930 36.980 65.316 1.00 0.00 C ATOM 1701 C PRO A 113 64.692 37.894 65.392 1.00 0.00 C ATOM 1702 O PRO A 113 63.817 37.800 64.535 1.00 0.00 O ATOM 1703 CB PRO A 113 65.591 35.510 65.598 1.00 0.00 C ATOM 1704 CG PRO A 113 66.069 35.289 67.029 1.00 0.00 C ATOM 1705 CD PRO A 113 67.297 36.190 67.115 1.00 0.00 C ATOM 0 HA PRO A 113 66.269 37.133 64.291 1.00 0.00 H new ATOM 0 HB2 PRO A 113 64.522 35.321 65.501 1.00 0.00 H new ATOM 0 HB3 PRO A 113 66.097 34.843 64.901 1.00 0.00 H new ATOM 0 HG2 PRO A 113 65.309 35.570 67.758 1.00 0.00 H new ATOM 0 HG3 PRO A 113 66.319 34.245 67.216 1.00 0.00 H new ATOM 0 HD2 PRO A 113 67.473 36.516 68.140 1.00 0.00 H new ATOM 0 HD3 PRO A 113 68.194 35.662 66.790 1.00 0.00 H new ATOM 1713 N THR A 114 64.633 38.826 66.347 1.00 0.00 N ATOM 1714 CA THR A 114 63.691 39.964 66.334 1.00 0.00 C ATOM 1715 C THR A 114 63.858 40.851 65.087 1.00 0.00 C ATOM 1716 O THR A 114 62.893 41.430 64.608 1.00 0.00 O ATOM 1717 CB THR A 114 63.888 40.852 67.581 1.00 0.00 C ATOM 1718 OG1 THR A 114 64.394 40.114 68.676 1.00 0.00 O ATOM 1719 CG2 THR A 114 62.583 41.493 68.043 1.00 0.00 C ATOM 0 H THR A 114 65.243 38.817 67.164 1.00 0.00 H new ATOM 0 HA THR A 114 62.692 39.528 66.326 1.00 0.00 H new ATOM 0 HB THR A 114 64.598 41.621 67.275 1.00 0.00 H new ATOM 0 HG1 THR A 114 64.508 40.709 69.447 1.00 0.00 H new ATOM 0 HG21 THR A 114 62.771 42.108 68.923 1.00 0.00 H new ATOM 0 HG22 THR A 114 62.181 42.116 67.244 1.00 0.00 H new ATOM 0 HG23 THR A 114 61.863 40.714 68.293 1.00 0.00 H new ATOM 1727 N GLY A 115 65.076 40.935 64.538 1.00 0.00 N ATOM 1728 CA GLY A 115 65.441 41.674 63.322 1.00 0.00 C ATOM 1729 C GLY A 115 65.388 40.859 62.031 1.00 0.00 C ATOM 1730 O GLY A 115 66.206 41.054 61.131 1.00 0.00 O ATOM 0 H GLY A 115 65.879 40.463 64.954 1.00 0.00 H new ATOM 0 HA2 GLY A 115 64.774 42.530 63.221 1.00 0.00 H new ATOM 0 HA3 GLY A 115 66.450 42.069 63.444 1.00 0.00 H new ATOM 1734 N GLN A 116 64.490 39.884 61.981 1.00 0.00 N ATOM 1735 CA GLN A 116 64.211 39.079 60.790 1.00 0.00 C ATOM 1736 C GLN A 116 63.453 39.855 59.710 1.00 0.00 C ATOM 1737 O GLN A 116 62.547 40.632 60.006 1.00 0.00 O ATOM 1738 CB GLN A 116 63.490 37.788 61.158 1.00 0.00 C ATOM 1739 CG GLN A 116 64.529 36.727 61.520 1.00 0.00 C ATOM 1740 CD GLN A 116 63.876 35.439 61.956 1.00 0.00 C ATOM 1741 OE1 GLN A 116 63.992 34.402 61.328 1.00 0.00 O ATOM 1742 NE2 GLN A 116 63.161 35.468 63.048 1.00 0.00 N ATOM 0 H GLN A 116 63.919 39.621 62.785 1.00 0.00 H new ATOM 0 HA GLN A 116 65.177 38.819 60.356 1.00 0.00 H new ATOM 0 HB2 GLN A 116 62.817 37.958 61.998 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.878 37.447 60.323 1.00 0.00 H new ATOM 0 HG2 GLN A 116 65.172 36.537 60.660 1.00 0.00 H new ATOM 0 HG3 GLN A 116 65.169 37.101 62.320 1.00 0.00 H new ATOM 0 HE21 GLN A 116 63.065 36.338 63.572 1.00 0.00 H new ATOM 0 HE22 GLN A 116 62.698 34.621 63.377 1.00 0.00 H new ATOM 1751 N ARG A 117 63.785 39.586 58.442 1.00 0.00 N ATOM 1752 CA ARG A 117 63.035 40.060 57.269 1.00 0.00 C ATOM 1753 C ARG A 117 62.775 38.892 56.320 1.00 0.00 C ATOM 1754 O ARG A 117 63.704 38.177 55.939 1.00 0.00 O ATOM 1755 CB ARG A 117 63.774 41.199 56.544 1.00 0.00 C ATOM 1756 CG ARG A 117 64.398 42.273 57.460 1.00 0.00 C ATOM 1757 CD ARG A 117 64.926 43.453 56.631 1.00 0.00 C ATOM 1758 NE ARG A 117 65.758 44.370 57.433 1.00 0.00 N ATOM 1759 CZ ARG A 117 66.185 45.567 57.073 1.00 0.00 C ATOM 1760 NH1 ARG A 117 65.810 46.145 55.970 1.00 0.00 N ATOM 1761 NH2 ARG A 117 67.024 46.193 57.842 1.00 0.00 N ATOM 0 H ARG A 117 64.598 39.022 58.196 1.00 0.00 H new ATOM 0 HA ARG A 117 62.082 40.463 57.612 1.00 0.00 H new ATOM 0 HB2 ARG A 117 64.564 40.764 55.932 1.00 0.00 H new ATOM 0 HB3 ARG A 117 63.076 41.687 55.864 1.00 0.00 H new ATOM 0 HG2 ARG A 117 63.653 42.627 58.173 1.00 0.00 H new ATOM 0 HG3 ARG A 117 65.211 41.836 58.039 1.00 0.00 H new ATOM 0 HD2 ARG A 117 65.511 43.073 55.793 1.00 0.00 H new ATOM 0 HD3 ARG A 117 64.085 44.003 56.209 1.00 0.00 H new ATOM 0 HE ARG A 117 66.032 44.046 58.361 1.00 0.00 H new ATOM 0 HH11 ARG A 117 65.160 45.672 55.342 1.00 0.00 H new ATOM 0 HH12 ARG A 117 66.166 47.071 55.733 1.00 0.00 H new ATOM 0 HH21 ARG A 117 67.343 45.759 58.708 1.00 0.00 H new ATOM 0 HH22 ARG A 117 67.364 47.118 57.579 1.00 0.00 H new ATOM 1775 N PHE A 118 61.516 38.684 55.944 1.00 0.00 N ATOM 1776 CA PHE A 118 61.119 37.590 55.062 1.00 0.00 C ATOM 1777 C PHE A 118 61.100 38.072 53.604 1.00 0.00 C ATOM 1778 O PHE A 118 60.486 39.091 53.284 1.00 0.00 O ATOM 1779 CB PHE A 118 59.787 36.935 55.465 1.00 0.00 C ATOM 1780 CG PHE A 118 59.393 36.825 56.937 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.099 37.975 57.699 1.00 0.00 C ATOM 1782 CD2 PHE A 118 59.202 35.554 57.519 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.691 37.859 59.040 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.791 35.435 58.859 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.546 36.589 59.624 1.00 0.00 C ATOM 0 H PHE A 118 60.739 39.272 56.244 1.00 0.00 H new ATOM 0 HA PHE A 118 61.867 36.804 55.165 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.992 37.483 54.959 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.788 35.925 55.055 1.00 0.00 H new ATOM 0 HD1 PHE A 118 59.188 38.953 57.249 1.00 0.00 H new ATOM 0 HD2 PHE A 118 59.373 34.665 56.931 1.00 0.00 H new ATOM 0 HE1 PHE A 118 58.489 38.747 59.621 1.00 0.00 H new ATOM 0 HE2 PHE A 118 58.664 34.457 59.300 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.247 36.500 60.658 1.00 0.00 H new ATOM 1795 N CYS A 119 61.787 37.343 52.729 1.00 0.00 N ATOM 1796 CA CYS A 119 62.059 37.703 51.335 1.00 0.00 C ATOM 1797 C CYS A 119 61.599 36.571 50.397 1.00 0.00 C ATOM 1798 O CYS A 119 61.886 35.398 50.661 1.00 0.00 O ATOM 1799 CB CYS A 119 63.548 38.013 51.160 1.00 0.00 C ATOM 1800 SG CYS A 119 64.211 39.102 52.465 1.00 0.00 S ATOM 0 H CYS A 119 62.190 36.441 52.982 1.00 0.00 H new ATOM 0 HA CYS A 119 61.497 38.599 51.072 1.00 0.00 H new ATOM 0 HB2 CYS A 119 64.109 37.079 51.155 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.703 38.483 50.189 1.00 0.00 H new ATOM 0 HG CYS A 119 63.964 38.583 53.631 1.00 0.00 H new ATOM 1806 N ILE A 120 60.900 36.886 49.305 1.00 0.00 N ATOM 1807 CA ILE A 120 60.238 35.906 48.424 1.00 0.00 C ATOM 1808 C ILE A 120 60.577 36.186 46.952 1.00 0.00 C ATOM 1809 O ILE A 120 61.079 37.259 46.631 1.00 0.00 O ATOM 1810 CB ILE A 120 58.722 35.905 48.741 1.00 0.00 C ATOM 1811 CG1 ILE A 120 58.045 34.550 48.489 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.961 37.065 48.079 1.00 0.00 C ATOM 1813 CD1 ILE A 120 56.679 34.419 49.175 1.00 0.00 C ATOM 0 H ILE A 120 60.772 37.850 48.997 1.00 0.00 H new ATOM 0 HA ILE A 120 60.607 34.897 48.610 1.00 0.00 H new ATOM 0 HB ILE A 120 58.664 36.076 49.816 1.00 0.00 H new ATOM 0 HG12 ILE A 120 57.920 34.408 47.416 1.00 0.00 H new ATOM 0 HG13 ILE A 120 58.699 33.753 48.842 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.905 37.005 48.342 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.368 38.014 48.428 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.069 37.000 46.996 1.00 0.00 H new ATOM 0 HD11 ILE A 120 56.255 33.439 48.957 1.00 0.00 H new ATOM 0 HD12 ILE A 120 56.801 34.530 50.252 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.009 35.195 48.804 1.00 0.00 H new ATOM 1825 N ASN A 121 60.335 35.228 46.053 1.00 0.00 N ATOM 1826 CA ASN A 121 60.601 35.408 44.619 1.00 0.00 C ATOM 1827 C ASN A 121 59.436 35.087 43.672 1.00 0.00 C ATOM 1828 O ASN A 121 59.069 35.929 42.863 1.00 0.00 O ATOM 1829 CB ASN A 121 61.913 34.703 44.231 1.00 0.00 C ATOM 1830 CG ASN A 121 61.777 33.222 43.934 1.00 0.00 C ATOM 1831 OD1 ASN A 121 61.623 32.820 42.790 1.00 0.00 O ATOM 1832 ND2 ASN A 121 61.790 32.379 44.933 1.00 0.00 N ATOM 0 H ASN A 121 59.953 34.313 46.293 1.00 0.00 H new ATOM 0 HA ASN A 121 60.720 36.482 44.474 1.00 0.00 H new ATOM 0 HB2 ASN A 121 62.329 35.198 43.354 1.00 0.00 H new ATOM 0 HB3 ASN A 121 62.631 34.832 45.041 1.00 0.00 H new ATOM 0 HD21 ASN A 121 61.671 31.381 44.760 1.00 0.00 H new ATOM 0 HD22 ASN A 121 61.919 32.719 45.886 1.00 0.00 H new ATOM 1839 N SER A 122 58.880 33.879 43.750 1.00 0.00 N ATOM 1840 CA SER A 122 57.805 33.372 42.872 1.00 0.00 C ATOM 1841 C SER A 122 58.006 33.633 41.361 1.00 0.00 C ATOM 1842 O SER A 122 57.035 33.848 40.640 1.00 0.00 O ATOM 1843 CB SER A 122 56.446 33.883 43.366 1.00 0.00 C ATOM 1844 OG SER A 122 56.274 33.515 44.721 1.00 0.00 O ATOM 0 H SER A 122 59.170 33.195 44.449 1.00 0.00 H new ATOM 0 HA SER A 122 57.842 32.285 42.950 1.00 0.00 H new ATOM 0 HB2 SER A 122 56.392 34.967 43.262 1.00 0.00 H new ATOM 0 HB3 SER A 122 55.644 33.464 42.758 1.00 0.00 H new ATOM 0 HG SER A 122 55.331 33.613 44.969 1.00 0.00 H new ATOM 1850 N VAL A 123 59.260 33.599 40.879 1.00 0.00 N ATOM 1851 CA VAL A 123 59.769 34.249 39.639 1.00 0.00 C ATOM 1852 C VAL A 123 58.994 34.009 38.333 1.00 0.00 C ATOM 1853 O VAL A 123 59.062 34.812 37.404 1.00 0.00 O ATOM 1854 CB VAL A 123 61.247 33.851 39.462 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.452 32.402 39.002 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.043 34.793 38.552 1.00 0.00 C ATOM 0 H VAL A 123 59.997 33.089 41.367 1.00 0.00 H new ATOM 0 HA VAL A 123 59.627 35.317 39.805 1.00 0.00 H new ATOM 0 HB VAL A 123 61.644 33.944 40.473 1.00 0.00 H new ATOM 0 HG11 VAL A 123 62.518 32.200 38.901 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.022 31.722 39.738 1.00 0.00 H new ATOM 0 HG13 VAL A 123 60.962 32.253 38.040 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.073 34.444 38.479 1.00 0.00 H new ATOM 0 HG22 VAL A 123 61.593 34.806 37.559 1.00 0.00 H new ATOM 0 HG23 VAL A 123 62.030 35.800 38.970 1.00 0.00 H new ATOM 1866 N ALA A 124 58.272 32.897 38.269 1.00 0.00 N ATOM 1867 CA ALA A 124 57.479 32.454 37.116 1.00 0.00 C ATOM 1868 C ALA A 124 56.107 31.837 37.482 1.00 0.00 C ATOM 1869 O ALA A 124 55.509 31.137 36.665 1.00 0.00 O ATOM 1870 CB ALA A 124 58.349 31.503 36.278 1.00 0.00 C ATOM 0 H ALA A 124 58.217 32.246 39.052 1.00 0.00 H new ATOM 0 HA ALA A 124 57.209 33.333 36.530 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.782 31.158 35.413 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.242 32.029 35.941 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.641 30.646 36.885 1.00 0.00 H new ATOM 1876 N LEU A 125 55.598 32.059 38.702 1.00 0.00 N ATOM 1877 CA LEU A 125 54.293 31.551 39.131 1.00 0.00 C ATOM 1878 C LEU A 125 53.151 32.432 38.598 1.00 0.00 C ATOM 1879 O LEU A 125 53.366 33.432 37.910 1.00 0.00 O ATOM 1880 CB LEU A 125 54.255 31.420 40.667 1.00 0.00 C ATOM 1881 CG LEU A 125 55.330 30.526 41.313 1.00 0.00 C ATOM 1882 CD1 LEU A 125 54.937 30.280 42.769 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.508 29.169 40.628 1.00 0.00 C ATOM 0 H LEU A 125 56.083 32.598 39.419 1.00 0.00 H new ATOM 0 HA LEU A 125 54.146 30.558 38.707 1.00 0.00 H new ATOM 0 HB2 LEU A 125 54.341 32.419 41.096 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.276 31.034 40.951 1.00 0.00 H new ATOM 0 HG LEU A 125 56.278 31.054 41.216 1.00 0.00 H new ATOM 0 HD11 LEU A 125 55.686 29.648 43.246 1.00 0.00 H new ATOM 0 HD12 LEU A 125 54.877 31.232 43.296 1.00 0.00 H new ATOM 0 HD13 LEU A 125 53.967 29.784 42.805 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.282 28.600 41.143 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.569 28.617 40.664 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.800 29.321 39.589 1.00 0.00 H new ATOM 1895 N LYS A 126 51.910 32.065 38.915 1.00 0.00 N ATOM 1896 CA LYS A 126 50.707 32.792 38.480 1.00 0.00 C ATOM 1897 C LYS A 126 50.148 33.662 39.599 1.00 0.00 C ATOM 1898 O LYS A 126 50.027 33.247 40.744 1.00 0.00 O ATOM 1899 CB LYS A 126 49.673 31.836 37.910 1.00 0.00 C ATOM 1900 CG LYS A 126 50.141 31.241 36.577 1.00 0.00 C ATOM 1901 CD LYS A 126 50.302 32.192 35.376 1.00 0.00 C ATOM 1902 CE LYS A 126 51.736 32.707 35.172 1.00 0.00 C ATOM 1903 NZ LYS A 126 51.840 33.463 33.902 1.00 0.00 N ATOM 0 H LYS A 126 51.704 31.246 39.487 1.00 0.00 H new ATOM 0 HA LYS A 126 50.990 33.471 37.675 1.00 0.00 H new ATOM 0 HB2 LYS A 126 49.484 31.033 38.623 1.00 0.00 H new ATOM 0 HB3 LYS A 126 48.729 32.362 37.765 1.00 0.00 H new ATOM 0 HG2 LYS A 126 51.101 30.754 36.748 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.434 30.462 36.293 1.00 0.00 H new ATOM 0 HD2 LYS A 126 49.981 31.676 34.472 1.00 0.00 H new ATOM 0 HD3 LYS A 126 49.637 33.045 35.510 1.00 0.00 H new ATOM 0 HE2 LYS A 126 52.021 33.347 36.007 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.432 31.868 35.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 52.815 33.804 33.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 51.588 32.842 33.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 51.190 34.275 33.927 1.00 0.00 H new ATOM 1917 N PHE A 127 49.809 34.897 39.261 1.00 0.00 N ATOM 1918 CA PHE A 127 49.417 35.924 40.226 1.00 0.00 C ATOM 1919 C PHE A 127 48.241 36.756 39.711 1.00 0.00 C ATOM 1920 O PHE A 127 48.177 37.089 38.527 1.00 0.00 O ATOM 1921 CB PHE A 127 50.640 36.776 40.591 1.00 0.00 C ATOM 1922 CG PHE A 127 51.339 37.449 39.419 1.00 0.00 C ATOM 1923 CD1 PHE A 127 50.878 38.685 38.922 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.451 36.828 38.813 1.00 0.00 C ATOM 1925 CE1 PHE A 127 51.517 39.292 37.825 1.00 0.00 C ATOM 1926 CE2 PHE A 127 53.091 37.436 37.718 1.00 0.00 C ATOM 1927 CZ PHE A 127 52.625 38.667 37.224 1.00 0.00 C ATOM 0 H PHE A 127 49.797 35.223 38.295 1.00 0.00 H new ATOM 0 HA PHE A 127 49.061 35.446 41.139 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.328 37.546 41.297 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.361 36.143 41.108 1.00 0.00 H new ATOM 0 HD1 PHE A 127 50.031 39.168 39.385 1.00 0.00 H new ATOM 0 HD2 PHE A 127 52.812 35.883 39.191 1.00 0.00 H new ATOM 0 HE1 PHE A 127 51.157 40.237 37.445 1.00 0.00 H new ATOM 0 HE2 PHE A 127 53.941 36.957 37.256 1.00 0.00 H new ATOM 0 HZ PHE A 127 53.117 39.133 36.383 1.00 0.00 H new ATOM 1937 N LYS A 128 47.280 37.042 40.597 1.00 0.00 N ATOM 1938 CA LYS A 128 45.981 37.644 40.259 1.00 0.00 C ATOM 1939 C LYS A 128 45.520 38.605 41.365 1.00 0.00 C ATOM 1940 O LYS A 128 45.723 38.304 42.547 1.00 0.00 O ATOM 1941 CB LYS A 128 44.933 36.525 40.067 1.00 0.00 C ATOM 1942 CG LYS A 128 45.206 35.631 38.840 1.00 0.00 C ATOM 1943 CD LYS A 128 44.355 34.358 38.812 1.00 0.00 C ATOM 1944 CE LYS A 128 42.858 34.646 38.706 1.00 0.00 C ATOM 1945 NZ LYS A 128 42.092 33.386 38.636 1.00 0.00 N ATOM 0 H LYS A 128 47.385 36.857 41.595 1.00 0.00 H new ATOM 0 HA LYS A 128 46.088 38.212 39.335 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.909 35.903 40.962 1.00 0.00 H new ATOM 0 HB3 LYS A 128 43.946 36.976 39.966 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.017 36.205 37.933 1.00 0.00 H new ATOM 0 HG3 LYS A 128 46.260 35.354 38.829 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.662 33.740 37.968 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.546 33.780 39.716 1.00 0.00 H new ATOM 0 HE2 LYS A 128 42.532 35.229 39.567 1.00 0.00 H new ATOM 0 HE3 LYS A 128 42.660 35.249 37.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 41.077 33.600 38.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 42.391 32.844 37.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 42.268 32.825 39.494 1.00 0.00 H new ATOM 1959 N PRO A 129 44.866 39.734 41.038 1.00 0.00 N ATOM 1960 CA PRO A 129 44.133 40.504 42.034 1.00 0.00 C ATOM 1961 C PRO A 129 42.840 39.790 42.435 1.00 0.00 C ATOM 1962 O PRO A 129 42.412 38.830 41.799 1.00 0.00 O ATOM 1963 CB PRO A 129 43.836 41.850 41.374 1.00 0.00 C ATOM 1964 CG PRO A 129 43.660 41.457 39.907 1.00 0.00 C ATOM 1965 CD PRO A 129 44.652 40.304 39.713 1.00 0.00 C ATOM 0 HA PRO A 129 44.709 40.627 42.951 1.00 0.00 H new ATOM 0 HB2 PRO A 129 42.938 42.314 41.782 1.00 0.00 H new ATOM 0 HB3 PRO A 129 44.652 42.560 41.511 1.00 0.00 H new ATOM 0 HG2 PRO A 129 42.637 41.144 39.697 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.881 42.291 39.241 1.00 0.00 H new ATOM 0 HD2 PRO A 129 44.254 39.557 39.026 1.00 0.00 H new ATOM 0 HD3 PRO A 129 45.589 40.662 39.286 1.00 0.00 H new ATOM 1973 N SER A 130 42.218 40.282 43.501 1.00 0.00 N ATOM 1974 CA SER A 130 40.943 39.779 44.031 1.00 0.00 C ATOM 1975 C SER A 130 39.757 40.666 43.655 1.00 0.00 C ATOM 1976 O SER A 130 38.714 40.174 43.225 1.00 0.00 O ATOM 1977 CB SER A 130 41.037 39.644 45.538 1.00 0.00 C ATOM 1978 OG SER A 130 40.789 38.311 45.935 1.00 0.00 O ATOM 0 H SER A 130 42.592 41.063 44.039 1.00 0.00 H new ATOM 0 HA SER A 130 40.764 38.804 43.578 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.027 39.951 45.875 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.318 40.311 46.014 1.00 0.00 H new ATOM 0 HG SER A 130 40.856 38.242 46.910 1.00 0.00 H new ATOM 1984 N LYS A 131 39.929 41.992 43.789 1.00 0.00 N ATOM 1985 CA LYS A 131 39.028 43.002 43.244 1.00 0.00 C ATOM 1986 C LYS A 131 38.641 42.718 41.773 1.00 0.00 C ATOM 1987 O LYS A 131 39.471 42.193 41.027 1.00 0.00 O ATOM 1988 CB LYS A 131 39.729 44.366 43.300 1.00 0.00 C ATOM 1989 CG LYS A 131 39.478 45.172 44.573 1.00 0.00 C ATOM 1990 CD LYS A 131 40.054 44.668 45.901 1.00 0.00 C ATOM 1991 CE LYS A 131 39.118 43.709 46.641 1.00 0.00 C ATOM 1992 NZ LYS A 131 39.413 43.702 48.094 1.00 0.00 N ATOM 0 H LYS A 131 40.720 42.393 44.293 1.00 0.00 H new ATOM 0 HA LYS A 131 38.117 42.988 43.842 1.00 0.00 H new ATOM 0 HB2 LYS A 131 40.802 44.210 43.193 1.00 0.00 H new ATOM 0 HB3 LYS A 131 39.406 44.958 42.444 1.00 0.00 H new ATOM 0 HG2 LYS A 131 39.866 46.177 44.407 1.00 0.00 H new ATOM 0 HG3 LYS A 131 38.399 45.263 44.697 1.00 0.00 H new ATOM 0 HD2 LYS A 131 41.002 44.165 45.710 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.270 45.522 46.543 1.00 0.00 H new ATOM 0 HE2 LYS A 131 38.082 44.006 46.477 1.00 0.00 H new ATOM 0 HE3 LYS A 131 39.229 42.702 46.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 38.971 42.869 48.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 40.442 43.665 48.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 39.033 44.566 48.530 1.00 0.00 H new