USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 HIS : no HE2:sc= 0.0108 K(o=0.011,f=-1.4) USER MOD Set 1.2: A 119 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 38 TYR OH : rot -16:sc= 0.309 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0.299 USER MOD Set 3.1: A 45 SER OG : rot 110:sc= 1.07 USER MOD Set 3.2: A 98 GLN : amide:sc= 0.884 K(o=2,f=0.23) USER MOD Set 4.1: A 40 CYS SG : rot -144:sc= -0.16 USER MOD Set 4.2: A 43 CYS SG : rot -106:sc= -1.66 USER MOD Set 4.3: A 96 CYS SG : rot -150:sc= -10.4! USER MOD Set 4.4: A 99 CYS SG : rot -38:sc= -10.4! USER MOD Single : A 35 THR OG1 : rot 14:sc= 0.264 USER MOD Single : A 37 MET CE :methyl -158:sc= 0 (180deg=-0.095) USER MOD Single : A 39 HIS : no HE2:sc= 0.937 K(o=0.94,f=-3.2!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.775) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.14) 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 USER MOD Single : A 86 SER OG : rot -45:sc= 0.0298 USER MOD Single : A 89 CYS SG : rot 180:sc= -0.115 USER MOD Single : A 92 MET CE :methyl -137:sc= 0 (180deg=-0.0132) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= -0.0476 K(o=-0.048,f=-1.5) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 116 GLN : amide:sc= 0.298 K(o=0.3,f=-3.4!) USER MOD Single : A 121 ASN : amide:sc= -0.256 K(o=-0.26,f=-0.93) USER MOD Single : A 122 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 45.145 44.432 47.388 1.00 0.00 N ATOM 559 CA THR A 35 44.843 43.096 47.876 1.00 0.00 C ATOM 560 C THR A 35 44.916 42.151 46.688 1.00 0.00 C ATOM 561 O THR A 35 44.443 42.484 45.603 1.00 0.00 O ATOM 562 CB THR A 35 43.417 43.007 48.449 1.00 0.00 C ATOM 563 OG1 THR A 35 42.859 44.238 48.840 1.00 0.00 O ATOM 564 CG2 THR A 35 43.308 42.025 49.610 1.00 0.00 C ATOM 0 HA THR A 35 45.552 42.843 48.664 1.00 0.00 H new ATOM 0 HB THR A 35 42.836 42.641 47.603 1.00 0.00 H new ATOM 0 HG1 THR A 35 43.400 44.972 48.480 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.281 42.004 49.974 1.00 0.00 H new ATOM 0 HG22 THR A 35 43.594 41.029 49.272 1.00 0.00 H new ATOM 0 HG23 THR A 35 43.972 42.339 50.416 1.00 0.00 H new ATOM 572 N GLY A 36 45.414 40.940 46.889 1.00 0.00 N ATOM 573 CA GLY A 36 45.480 39.944 45.811 1.00 0.00 C ATOM 574 C GLY A 36 46.197 38.668 46.221 1.00 0.00 C ATOM 575 O GLY A 36 46.251 38.369 47.412 1.00 0.00 O ATOM 0 H GLY A 36 45.780 40.616 47.784 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.468 39.698 45.490 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.990 40.380 44.952 1.00 0.00 H new ATOM 579 N MET A 37 46.757 37.919 45.268 1.00 0.00 N ATOM 580 CA MET A 37 47.418 36.635 45.512 1.00 0.00 C ATOM 581 C MET A 37 48.384 36.196 44.402 1.00 0.00 C ATOM 582 O MET A 37 48.365 36.712 43.286 1.00 0.00 O ATOM 583 CB MET A 37 46.345 35.565 45.750 1.00 0.00 C ATOM 584 CG MET A 37 45.620 35.223 44.449 1.00 0.00 C ATOM 585 SD MET A 37 43.881 34.750 44.618 1.00 0.00 S ATOM 586 CE MET A 37 43.160 36.412 44.746 1.00 0.00 C ATOM 0 H MET A 37 46.764 38.194 44.286 1.00 0.00 H new ATOM 0 HA MET A 37 48.045 36.763 46.394 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.806 34.667 46.161 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.627 35.922 46.488 1.00 0.00 H new ATOM 0 HG2 MET A 37 45.680 36.085 43.784 1.00 0.00 H new ATOM 0 HG3 MET A 37 46.153 34.407 43.961 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.187 36.350 45.234 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.820 37.051 45.332 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.039 36.834 43.748 1.00 0.00 H new ATOM 596 N TYR A 38 49.177 35.186 44.743 1.00 0.00 N ATOM 597 CA TYR A 38 50.208 34.527 43.940 1.00 0.00 C ATOM 598 C TYR A 38 49.973 33.007 43.944 1.00 0.00 C ATOM 599 O TYR A 38 49.691 32.408 44.989 1.00 0.00 O ATOM 600 CB TYR A 38 51.617 34.855 44.479 1.00 0.00 C ATOM 601 CG TYR A 38 51.908 36.335 44.662 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.380 37.000 45.781 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.667 37.058 43.717 1.00 0.00 C ATOM 604 CE1 TYR A 38 51.527 38.390 45.903 1.00 0.00 C ATOM 605 CE2 TYR A 38 52.804 38.458 43.836 1.00 0.00 C ATOM 606 CZ TYR A 38 52.202 39.132 44.919 1.00 0.00 C ATOM 607 OH TYR A 38 52.245 40.486 45.036 1.00 0.00 O ATOM 0 H TYR A 38 49.111 34.768 45.671 1.00 0.00 H new ATOM 0 HA TYR A 38 50.145 34.897 42.917 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.748 34.353 45.438 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.357 34.437 43.796 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.861 36.442 46.547 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.145 36.538 42.900 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.116 38.896 46.764 1.00 0.00 H new ATOM 0 HE2 TYR A 38 53.368 39.011 43.100 1.00 0.00 H new ATOM 0 HH TYR A 38 51.568 40.780 45.680 1.00 0.00 H new ATOM 617 N HIS A 39 50.088 32.386 42.774 1.00 0.00 N ATOM 618 CA HIS A 39 49.924 30.953 42.565 1.00 0.00 C ATOM 619 C HIS A 39 50.887 30.447 41.477 1.00 0.00 C ATOM 620 O HIS A 39 51.292 31.195 40.584 1.00 0.00 O ATOM 621 CB HIS A 39 48.462 30.665 42.182 1.00 0.00 C ATOM 622 CG HIS A 39 48.018 31.218 40.843 1.00 0.00 C ATOM 623 ND1 HIS A 39 48.277 30.660 39.613 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.254 32.333 40.619 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.701 31.424 38.675 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.048 32.457 39.236 1.00 0.00 N ATOM 0 H HIS A 39 50.306 32.887 41.913 1.00 0.00 H new ATOM 0 HA HIS A 39 50.164 30.423 43.487 1.00 0.00 H new ATOM 0 HB2 HIS A 39 48.312 29.585 42.178 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.814 31.074 42.957 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.815 29.810 39.444 1.00 0.00 H new ATOM 0 HD2 HIS A 39 46.875 33.002 41.377 1.00 0.00 H new ATOM 0 HE1 HIS A 39 47.754 31.236 37.613 1.00 0.00 H new ATOM 634 N CYS A 40 51.222 29.164 41.506 1.00 0.00 N ATOM 635 CA CYS A 40 52.041 28.535 40.504 1.00 0.00 C ATOM 636 C CYS A 40 51.330 28.436 39.133 1.00 0.00 C ATOM 637 O CYS A 40 50.109 28.549 38.991 1.00 0.00 O ATOM 638 CB CYS A 40 52.400 27.155 41.066 1.00 0.00 C ATOM 639 SG CYS A 40 52.958 27.175 42.794 1.00 0.00 S ATOM 0 H CYS A 40 50.921 28.528 42.245 1.00 0.00 H new ATOM 0 HA CYS A 40 52.934 29.128 40.305 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.529 26.505 40.985 1.00 0.00 H new ATOM 0 HB3 CYS A 40 53.184 26.717 40.448 1.00 0.00 H new ATOM 0 HG CYS A 40 53.887 26.281 42.960 1.00 0.00 H new ATOM 644 N VAL A 41 52.145 28.113 38.136 1.00 0.00 N ATOM 645 CA VAL A 41 51.731 27.402 36.904 1.00 0.00 C ATOM 646 C VAL A 41 52.169 25.921 36.918 1.00 0.00 C ATOM 647 O VAL A 41 51.775 25.130 36.062 1.00 0.00 O ATOM 648 CB VAL A 41 52.225 28.185 35.669 1.00 0.00 C ATOM 649 CG1 VAL A 41 53.749 28.129 35.498 1.00 0.00 C ATOM 650 CG2 VAL A 41 51.551 27.744 34.366 1.00 0.00 C ATOM 0 H VAL A 41 53.140 28.338 38.150 1.00 0.00 H new ATOM 0 HA VAL A 41 50.643 27.367 36.854 1.00 0.00 H new ATOM 0 HB VAL A 41 51.936 29.217 35.870 1.00 0.00 H new ATOM 0 HG11 VAL A 41 54.037 28.697 34.614 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.230 28.558 36.377 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.064 27.092 35.382 1.00 0.00 H new ATOM 0 HG21 VAL A 41 51.942 28.333 33.537 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.756 26.688 34.190 1.00 0.00 H new ATOM 0 HG23 VAL A 41 50.475 27.897 34.443 1.00 0.00 H new ATOM 660 N CYS A 42 52.982 25.547 37.911 1.00 0.00 N ATOM 661 CA CYS A 42 53.774 24.317 37.962 1.00 0.00 C ATOM 662 C CYS A 42 53.128 23.166 38.761 1.00 0.00 C ATOM 663 O CYS A 42 53.530 22.013 38.578 1.00 0.00 O ATOM 664 CB CYS A 42 55.133 24.704 38.555 1.00 0.00 C ATOM 665 SG CYS A 42 56.085 25.731 37.406 1.00 0.00 S ATOM 0 H CYS A 42 53.111 26.124 38.742 1.00 0.00 H new ATOM 0 HA CYS A 42 53.859 23.915 36.953 1.00 0.00 H new ATOM 0 HB2 CYS A 42 54.984 25.244 39.490 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.698 23.803 38.794 1.00 0.00 H new ATOM 0 HG CYS A 42 57.227 26.040 37.944 1.00 0.00 H new ATOM 671 N CYS A 43 52.156 23.458 39.623 1.00 0.00 N ATOM 672 CA CYS A 43 51.290 22.529 40.316 1.00 0.00 C ATOM 673 C CYS A 43 49.826 22.804 39.906 1.00 0.00 C ATOM 674 O CYS A 43 49.438 22.473 38.785 1.00 0.00 O ATOM 675 CB CYS A 43 51.619 22.636 41.816 1.00 0.00 C ATOM 676 SG CYS A 43 51.537 24.341 42.418 1.00 0.00 S ATOM 0 H CYS A 43 51.944 24.425 39.868 1.00 0.00 H new ATOM 0 HA CYS A 43 51.449 21.485 40.046 1.00 0.00 H new ATOM 0 HB2 CYS A 43 50.922 22.019 42.383 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.617 22.237 41.996 1.00 0.00 H new ATOM 0 HG CYS A 43 52.741 24.794 42.605 1.00 0.00 H new ATOM 681 N ASP A 44 49.059 23.426 40.801 1.00 0.00 N ATOM 682 CA ASP A 44 47.654 23.821 40.634 1.00 0.00 C ATOM 683 C ASP A 44 47.177 24.859 41.664 1.00 0.00 C ATOM 684 O ASP A 44 46.354 25.724 41.353 1.00 0.00 O ATOM 685 CB ASP A 44 46.748 22.586 40.769 1.00 0.00 C ATOM 686 CG ASP A 44 46.568 21.836 39.454 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.128 22.470 38.459 1.00 0.00 O ATOM 688 OD2 ASP A 44 46.815 20.609 39.428 1.00 0.00 O ATOM 0 H ASP A 44 49.421 23.685 41.719 1.00 0.00 H new ATOM 0 HA ASP A 44 47.589 24.272 39.644 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.172 21.910 41.512 1.00 0.00 H new ATOM 0 HB3 ASP A 44 45.772 22.897 41.141 1.00 0.00 H new ATOM 693 N SER A 45 47.612 24.731 42.913 1.00 0.00 N ATOM 694 CA SER A 45 47.036 25.415 44.069 1.00 0.00 C ATOM 695 C SER A 45 47.688 26.765 44.425 1.00 0.00 C ATOM 696 O SER A 45 48.912 26.891 44.421 1.00 0.00 O ATOM 697 CB SER A 45 47.034 24.456 45.267 1.00 0.00 C ATOM 698 OG SER A 45 47.977 23.397 45.168 1.00 0.00 O ATOM 0 H SER A 45 48.399 24.130 43.158 1.00 0.00 H new ATOM 0 HA SER A 45 46.017 25.686 43.793 1.00 0.00 H new ATOM 0 HB2 SER A 45 47.238 25.025 46.174 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.036 24.030 45.375 1.00 0.00 H new ATOM 0 HG SER A 45 48.699 23.540 45.815 1.00 0.00 H new ATOM 704 N PRO A 46 46.896 27.784 44.822 1.00 0.00 N ATOM 705 CA PRO A 46 47.435 29.027 45.368 1.00 0.00 C ATOM 706 C PRO A 46 48.062 28.798 46.739 1.00 0.00 C ATOM 707 O PRO A 46 47.568 27.987 47.524 1.00 0.00 O ATOM 708 CB PRO A 46 46.254 29.994 45.445 1.00 0.00 C ATOM 709 CG PRO A 46 45.051 29.069 45.636 1.00 0.00 C ATOM 710 CD PRO A 46 45.437 27.819 44.847 1.00 0.00 C ATOM 0 HA PRO A 46 48.231 29.428 44.741 1.00 0.00 H new ATOM 0 HB2 PRO A 46 46.360 30.692 46.275 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.163 30.590 44.537 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.881 28.843 46.689 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.134 29.518 45.254 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.035 26.922 45.318 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.032 27.857 43.836 1.00 0.00 H new ATOM 718 N LEU A 47 49.122 29.549 47.048 1.00 0.00 N ATOM 719 CA LEU A 47 49.904 29.356 48.282 1.00 0.00 C ATOM 720 C LEU A 47 50.134 30.641 49.092 1.00 0.00 C ATOM 721 O LEU A 47 50.252 30.578 50.313 1.00 0.00 O ATOM 722 CB LEU A 47 51.224 28.641 47.934 1.00 0.00 C ATOM 723 CG LEU A 47 51.540 27.374 48.762 1.00 0.00 C ATOM 724 CD1 LEU A 47 51.585 27.640 50.270 1.00 0.00 C ATOM 725 CD2 LEU A 47 50.548 26.241 48.487 1.00 0.00 C ATOM 0 H LEU A 47 49.465 30.306 46.456 1.00 0.00 H new ATOM 0 HA LEU A 47 49.312 28.729 48.949 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.200 28.367 46.879 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.043 29.349 48.060 1.00 0.00 H new ATOM 0 HG LEU A 47 52.534 27.068 48.437 1.00 0.00 H new ATOM 0 HD11 LEU A 47 51.811 26.713 50.796 1.00 0.00 H new ATOM 0 HD12 LEU A 47 52.358 28.378 50.486 1.00 0.00 H new ATOM 0 HD13 LEU A 47 50.618 28.019 50.602 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.811 25.373 49.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 49.541 26.569 48.743 1.00 0.00 H new ATOM 0 HD23 LEU A 47 50.585 25.973 47.431 1.00 0.00 H new ATOM 737 N PHE A 48 50.160 31.814 48.448 1.00 0.00 N ATOM 738 CA PHE A 48 50.341 33.098 49.153 1.00 0.00 C ATOM 739 C PHE A 48 49.357 34.169 48.673 1.00 0.00 C ATOM 740 O PHE A 48 49.301 34.484 47.483 1.00 0.00 O ATOM 741 CB PHE A 48 51.788 33.595 48.996 1.00 0.00 C ATOM 742 CG PHE A 48 52.809 32.713 49.697 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.067 32.885 51.071 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.478 31.698 48.985 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.984 32.047 51.729 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.384 30.848 49.646 1.00 0.00 C ATOM 747 CZ PHE A 48 54.629 31.016 51.020 1.00 0.00 C ATOM 0 H PHE A 48 50.058 31.905 47.437 1.00 0.00 H new ATOM 0 HA PHE A 48 50.133 32.918 50.208 1.00 0.00 H new ATOM 0 HB2 PHE A 48 52.033 33.649 47.935 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.861 34.608 49.392 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.559 33.663 51.621 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.295 31.572 47.928 1.00 0.00 H new ATOM 0 HE1 PHE A 48 54.194 32.194 52.778 1.00 0.00 H new ATOM 0 HE2 PHE A 48 54.891 30.067 49.098 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.312 30.354 51.532 1.00 0.00 H new ATOM 757 N SER A 49 48.614 34.806 49.583 1.00 0.00 N ATOM 758 CA SER A 49 47.903 36.041 49.267 1.00 0.00 C ATOM 759 C SER A 49 48.837 37.243 49.423 1.00 0.00 C ATOM 760 O SER A 49 49.633 37.336 50.356 1.00 0.00 O ATOM 761 CB SER A 49 46.587 36.168 50.037 1.00 0.00 C ATOM 762 OG SER A 49 46.751 36.019 51.435 1.00 0.00 O ATOM 0 H SER A 49 48.491 34.484 50.543 1.00 0.00 H new ATOM 0 HA SER A 49 47.601 36.012 48.220 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.143 37.142 49.830 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.886 35.415 49.676 1.00 0.00 H new ATOM 0 HG SER A 49 45.882 36.111 51.878 1.00 0.00 H new ATOM 768 N SER A 50 48.708 38.207 48.515 1.00 0.00 N ATOM 769 CA SER A 50 49.374 39.522 48.603 1.00 0.00 C ATOM 770 C SER A 50 49.030 40.289 49.865 1.00 0.00 C ATOM 771 O SER A 50 49.757 41.181 50.279 1.00 0.00 O ATOM 772 CB SER A 50 49.027 40.390 47.397 1.00 0.00 C ATOM 773 OG SER A 50 50.103 41.265 47.095 1.00 0.00 O ATOM 0 H SER A 50 48.130 38.104 47.681 1.00 0.00 H new ATOM 0 HA SER A 50 50.442 39.305 48.624 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.810 39.758 46.536 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.126 40.968 47.603 1.00 0.00 H new ATOM 0 HG SER A 50 49.869 41.815 46.319 1.00 0.00 H new ATOM 779 N GLU A 51 47.943 39.889 50.502 1.00 0.00 N ATOM 780 CA GLU A 51 47.550 40.281 51.832 1.00 0.00 C ATOM 781 C GLU A 51 48.644 40.101 52.891 1.00 0.00 C ATOM 782 O GLU A 51 48.874 40.976 53.720 1.00 0.00 O ATOM 783 CB GLU A 51 46.359 39.383 52.176 1.00 0.00 C ATOM 784 CG GLU A 51 45.255 40.156 52.850 1.00 0.00 C ATOM 785 CD GLU A 51 44.421 39.256 53.775 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.991 38.665 54.726 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.205 39.100 53.535 1.00 0.00 O ATOM 0 H GLU A 51 47.277 39.245 50.075 1.00 0.00 H new ATOM 0 HA GLU A 51 47.323 41.347 51.840 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.977 38.921 51.266 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.689 38.575 52.829 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.683 40.975 53.427 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.608 40.602 52.095 1.00 0.00 H new ATOM 794 N LYS A 52 49.365 38.978 52.821 1.00 0.00 N ATOM 795 CA LYS A 52 50.510 38.645 53.673 1.00 0.00 C ATOM 796 C LYS A 52 51.749 39.484 53.357 1.00 0.00 C ATOM 797 O LYS A 52 52.760 39.358 54.048 1.00 0.00 O ATOM 798 CB LYS A 52 50.845 37.151 53.484 1.00 0.00 C ATOM 799 CG LYS A 52 49.650 36.187 53.535 1.00 0.00 C ATOM 800 CD LYS A 52 48.851 36.280 54.835 1.00 0.00 C ATOM 801 CE LYS A 52 47.563 37.091 54.779 1.00 0.00 C ATOM 802 NZ LYS A 52 46.731 36.878 55.987 1.00 0.00 N ATOM 0 H LYS A 52 49.158 38.246 52.141 1.00 0.00 H new ATOM 0 HA LYS A 52 50.231 38.863 54.704 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.346 37.029 52.523 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.558 36.857 54.255 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.988 36.396 52.695 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.011 35.166 53.411 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.605 35.269 55.158 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.494 36.712 55.602 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.803 38.150 54.684 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.995 36.812 53.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.081 37.681 56.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.182 36.001 55.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.345 36.803 56.823 1.00 0.00 H new ATOM 816 N LYS A 53 51.719 40.262 52.264 1.00 0.00 N ATOM 817 CA LYS A 53 52.930 40.879 51.703 1.00 0.00 C ATOM 818 C LYS A 53 53.323 42.150 52.450 1.00 0.00 C ATOM 819 O LYS A 53 52.530 43.078 52.590 1.00 0.00 O ATOM 820 CB LYS A 53 52.858 41.095 50.182 1.00 0.00 C ATOM 821 CG LYS A 53 54.252 40.953 49.534 1.00 0.00 C ATOM 822 CD LYS A 53 54.276 41.386 48.063 1.00 0.00 C ATOM 823 CE LYS A 53 54.229 42.912 47.911 1.00 0.00 C ATOM 824 NZ LYS A 53 55.543 43.568 48.137 1.00 0.00 N ATOM 0 H LYS A 53 50.865 40.479 51.750 1.00 0.00 H new ATOM 0 HA LYS A 53 53.731 40.155 51.857 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.173 40.371 49.741 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.455 42.085 49.971 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.970 41.551 50.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.576 39.915 49.607 1.00 0.00 H new ATOM 0 HD2 LYS A 53 55.178 41.002 47.587 1.00 0.00 H new ATOM 0 HD3 LYS A 53 53.427 40.944 47.541 1.00 0.00 H new ATOM 0 HE2 LYS A 53 53.875 43.159 46.910 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.503 43.318 48.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 55.466 44.582 47.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 55.826 43.446 49.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 56.258 43.135 47.518 1.00 0.00 H new ATOM 838 N TYR A 54 54.589 42.214 52.838 1.00 0.00 N ATOM 839 CA TYR A 54 55.263 43.469 53.193 1.00 0.00 C ATOM 840 C TYR A 54 55.420 44.308 51.914 1.00 0.00 C ATOM 841 O TYR A 54 55.713 43.748 50.860 1.00 0.00 O ATOM 842 CB TYR A 54 56.618 43.181 53.840 1.00 0.00 C ATOM 843 CG TYR A 54 56.606 42.867 55.332 1.00 0.00 C ATOM 844 CD1 TYR A 54 55.712 41.922 55.884 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.527 43.524 56.175 1.00 0.00 C ATOM 846 CE1 TYR A 54 55.737 41.645 57.265 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.558 43.241 57.554 1.00 0.00 C ATOM 848 CZ TYR A 54 56.666 42.298 58.102 1.00 0.00 C ATOM 849 OH TYR A 54 56.715 42.027 59.431 1.00 0.00 O ATOM 0 H TYR A 54 55.188 41.392 52.918 1.00 0.00 H new ATOM 0 HA TYR A 54 54.671 44.025 53.920 1.00 0.00 H new ATOM 0 HB2 TYR A 54 57.074 42.340 53.318 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.264 44.044 53.678 1.00 0.00 H new ATOM 0 HD1 TYR A 54 55.007 41.411 55.245 1.00 0.00 H new ATOM 0 HD2 TYR A 54 58.212 44.248 55.760 1.00 0.00 H new ATOM 0 HE1 TYR A 54 55.043 40.931 57.684 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.267 43.748 58.193 1.00 0.00 H new ATOM 0 HH TYR A 54 57.416 42.569 59.850 1.00 0.00 H new ATOM 933 N PRO A 61 59.659 42.098 48.173 1.00 0.00 N ATOM 934 CA PRO A 61 58.914 40.839 48.250 1.00 0.00 C ATOM 935 C PRO A 61 59.245 39.982 49.482 1.00 0.00 C ATOM 936 O PRO A 61 60.265 39.301 49.556 1.00 0.00 O ATOM 937 CB PRO A 61 59.230 40.112 46.951 1.00 0.00 C ATOM 938 CG PRO A 61 60.671 40.536 46.662 1.00 0.00 C ATOM 939 CD PRO A 61 60.735 41.970 47.195 1.00 0.00 C ATOM 0 HA PRO A 61 57.849 41.040 48.369 1.00 0.00 H new ATOM 0 HB2 PRO A 61 59.142 39.031 47.061 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.554 40.407 46.149 1.00 0.00 H new ATOM 0 HG2 PRO A 61 61.389 39.888 47.165 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.896 40.493 45.596 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.703 42.170 47.655 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.612 42.690 46.386 1.00 0.00 H new ATOM 947 N SER A 62 58.297 39.947 50.414 1.00 0.00 N ATOM 948 CA SER A 62 58.235 38.995 51.532 1.00 0.00 C ATOM 949 C SER A 62 56.796 38.805 52.025 1.00 0.00 C ATOM 950 O SER A 62 55.987 39.726 51.917 1.00 0.00 O ATOM 951 CB SER A 62 59.177 39.439 52.646 1.00 0.00 C ATOM 952 OG SER A 62 58.901 38.902 53.931 1.00 0.00 O ATOM 0 H SER A 62 57.517 40.605 50.416 1.00 0.00 H new ATOM 0 HA SER A 62 58.569 38.018 51.183 1.00 0.00 H new ATOM 0 HB2 SER A 62 60.195 39.165 52.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.146 40.527 52.712 1.00 0.00 H new ATOM 0 HG SER A 62 59.557 39.242 54.575 1.00 0.00 H new ATOM 958 N PHE A 63 56.502 37.646 52.615 1.00 0.00 N ATOM 959 CA PHE A 63 55.202 37.231 53.159 1.00 0.00 C ATOM 960 C PHE A 63 55.445 36.696 54.573 1.00 0.00 C ATOM 961 O PHE A 63 56.179 35.731 54.758 1.00 0.00 O ATOM 962 CB PHE A 63 54.543 36.120 52.315 1.00 0.00 C ATOM 963 CG PHE A 63 54.333 36.382 50.836 1.00 0.00 C ATOM 964 CD1 PHE A 63 53.438 37.375 50.400 1.00 0.00 C ATOM 965 CD2 PHE A 63 54.971 35.563 49.885 1.00 0.00 C ATOM 966 CE1 PHE A 63 53.208 37.566 49.026 1.00 0.00 C ATOM 967 CE2 PHE A 63 54.744 35.759 48.510 1.00 0.00 C ATOM 968 CZ PHE A 63 53.875 36.772 48.081 1.00 0.00 C ATOM 0 H PHE A 63 57.210 36.922 52.735 1.00 0.00 H new ATOM 0 HA PHE A 63 54.530 38.089 53.152 1.00 0.00 H new ATOM 0 HB2 PHE A 63 55.152 35.221 52.412 1.00 0.00 H new ATOM 0 HB3 PHE A 63 53.572 35.897 52.756 1.00 0.00 H new ATOM 0 HD1 PHE A 63 52.926 37.993 51.123 1.00 0.00 H new ATOM 0 HD2 PHE A 63 55.639 34.780 50.213 1.00 0.00 H new ATOM 0 HE1 PHE A 63 52.515 38.327 48.697 1.00 0.00 H new ATOM 0 HE2 PHE A 63 55.239 35.129 47.786 1.00 0.00 H new ATOM 0 HZ PHE A 63 53.719 36.941 47.026 1.00 0.00 H new ATOM 978 N SER A 64 54.847 37.306 55.587 1.00 0.00 N ATOM 979 CA SER A 64 55.039 36.867 56.985 1.00 0.00 C ATOM 980 C SER A 64 54.386 35.520 57.335 1.00 0.00 C ATOM 981 O SER A 64 54.736 34.923 58.356 1.00 0.00 O ATOM 982 CB SER A 64 54.595 37.948 57.968 1.00 0.00 C ATOM 983 OG SER A 64 53.276 38.383 57.697 1.00 0.00 O ATOM 0 H SER A 64 54.224 38.106 55.480 1.00 0.00 H new ATOM 0 HA SER A 64 56.113 36.704 57.080 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.650 37.561 58.986 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.278 38.796 57.912 1.00 0.00 H new ATOM 0 HG SER A 64 53.020 39.073 58.344 1.00 0.00 H new ATOM 989 N GLU A 65 53.481 35.004 56.497 1.00 0.00 N ATOM 990 CA GLU A 65 52.883 33.674 56.655 1.00 0.00 C ATOM 991 C GLU A 65 52.415 33.054 55.328 1.00 0.00 C ATOM 992 O GLU A 65 52.161 33.747 54.342 1.00 0.00 O ATOM 993 CB GLU A 65 51.702 33.718 57.651 1.00 0.00 C ATOM 994 CG GLU A 65 50.556 34.632 57.178 1.00 0.00 C ATOM 995 CD GLU A 65 49.328 34.729 58.102 1.00 0.00 C ATOM 996 OE1 GLU A 65 49.199 33.957 59.082 1.00 0.00 O ATOM 997 OE2 GLU A 65 48.457 35.595 57.828 1.00 0.00 O ATOM 0 H GLU A 65 53.138 35.506 55.678 1.00 0.00 H new ATOM 0 HA GLU A 65 53.675 33.036 57.046 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.318 32.708 57.797 1.00 0.00 H new ATOM 0 HB3 GLU A 65 52.062 34.066 58.619 1.00 0.00 H new ATOM 0 HG2 GLU A 65 50.957 35.636 57.037 1.00 0.00 H new ATOM 0 HG3 GLU A 65 50.221 34.282 56.202 1.00 0.00 H new ATOM 1004 N ALA A 66 52.236 31.731 55.352 1.00 0.00 N ATOM 1005 CA ALA A 66 51.640 30.918 54.284 1.00 0.00 C ATOM 1006 C ALA A 66 50.186 30.553 54.647 1.00 0.00 C ATOM 1007 O ALA A 66 49.874 29.406 54.989 1.00 0.00 O ATOM 1008 CB ALA A 66 52.536 29.697 54.033 1.00 0.00 C ATOM 0 H ALA A 66 52.516 31.168 56.155 1.00 0.00 H new ATOM 0 HA ALA A 66 51.585 31.477 53.350 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.104 29.085 53.241 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.529 30.030 53.732 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.612 29.108 54.947 1.00 0.00 H new ATOM 1162 N GLY A 78 51.424 20.342 50.944 1.00 0.00 N ATOM 1163 CA GLY A 78 52.316 19.909 49.877 1.00 0.00 C ATOM 1164 C GLY A 78 53.564 20.783 49.742 1.00 0.00 C ATOM 1165 O GLY A 78 54.282 20.637 48.758 1.00 0.00 O ATOM 0 HA2 GLY A 78 52.620 18.879 50.062 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.772 19.916 48.933 1.00 0.00 H new ATOM 1169 N ILE A 79 53.842 21.650 50.723 1.00 0.00 N ATOM 1170 CA ILE A 79 55.102 22.398 50.826 1.00 0.00 C ATOM 1171 C ILE A 79 56.064 21.682 51.779 1.00 0.00 C ATOM 1172 O ILE A 79 55.660 20.863 52.604 1.00 0.00 O ATOM 1173 CB ILE A 79 54.891 23.887 51.185 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.543 24.088 52.678 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.867 24.523 50.227 1.00 0.00 C ATOM 1176 CD1 ILE A 79 54.203 25.532 53.068 1.00 0.00 C ATOM 0 H ILE A 79 53.189 21.855 51.479 1.00 0.00 H new ATOM 0 HA ILE A 79 55.563 22.415 49.838 1.00 0.00 H new ATOM 0 HB ILE A 79 55.835 24.413 51.046 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.696 23.449 52.929 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.386 23.752 53.282 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.726 25.572 50.489 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.233 24.451 49.203 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.916 23.997 50.310 1.00 0.00 H new ATOM 0 HD11 ILE A 79 53.973 25.577 54.132 1.00 0.00 H new ATOM 0 HD12 ILE A 79 55.055 26.177 52.854 1.00 0.00 H new ATOM 0 HD13 ILE A 79 53.339 25.870 52.495 1.00 0.00 H new ATOM 1188 N LEU A 80 57.348 21.993 51.658 1.00 0.00 N ATOM 1189 CA LEU A 80 58.436 21.405 52.435 1.00 0.00 C ATOM 1190 C LEU A 80 59.520 22.448 52.742 1.00 0.00 C ATOM 1191 O LEU A 80 59.548 23.524 52.152 1.00 0.00 O ATOM 1192 CB LEU A 80 58.929 20.174 51.676 1.00 0.00 C ATOM 1193 CG LEU A 80 59.953 19.303 52.413 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.584 17.824 52.301 1.00 0.00 C ATOM 1195 CD2 LEU A 80 61.363 19.514 51.856 1.00 0.00 C ATOM 0 H LEU A 80 57.675 22.690 50.989 1.00 0.00 H new ATOM 0 HA LEU A 80 58.099 21.077 53.418 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.067 19.556 51.425 1.00 0.00 H new ATOM 0 HB3 LEU A 80 59.370 20.503 50.735 1.00 0.00 H new ATOM 0 HG LEU A 80 59.939 19.602 53.461 1.00 0.00 H new ATOM 0 HD11 LEU A 80 60.323 17.223 52.831 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.600 17.660 52.741 1.00 0.00 H new ATOM 0 HD13 LEU A 80 59.565 17.532 51.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.067 18.883 52.399 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.380 19.250 50.799 1.00 0.00 H new ATOM 0 HD23 LEU A 80 61.648 20.560 51.974 1.00 0.00 H new ATOM 1207 N ARG A 81 60.405 22.151 53.695 1.00 0.00 N ATOM 1208 CA ARG A 81 61.503 23.026 54.106 1.00 0.00 C ATOM 1209 C ARG A 81 62.784 22.287 54.480 1.00 0.00 C ATOM 1210 O ARG A 81 62.747 21.115 54.846 1.00 0.00 O ATOM 1211 CB ARG A 81 61.022 23.981 55.208 1.00 0.00 C ATOM 1212 CG ARG A 81 60.355 23.388 56.451 1.00 0.00 C ATOM 1213 CD ARG A 81 61.231 22.425 57.275 1.00 0.00 C ATOM 1214 NE ARG A 81 60.876 22.460 58.705 1.00 0.00 N ATOM 1215 CZ ARG A 81 59.682 22.288 59.236 1.00 0.00 C ATOM 1216 NH1 ARG A 81 58.683 21.775 58.583 1.00 0.00 N ATOM 1217 NH2 ARG A 81 59.442 22.655 60.455 1.00 0.00 N ATOM 0 H ARG A 81 60.377 21.274 54.215 1.00 0.00 H new ATOM 0 HA ARG A 81 61.789 23.615 53.234 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.882 24.564 55.540 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.318 24.680 54.756 1.00 0.00 H new ATOM 0 HG2 ARG A 81 60.037 24.206 57.097 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.454 22.858 56.141 1.00 0.00 H new ATOM 0 HD2 ARG A 81 61.114 21.410 56.895 1.00 0.00 H new ATOM 0 HD3 ARG A 81 62.281 22.692 57.153 1.00 0.00 H new ATOM 0 HE ARG A 81 61.640 22.637 59.357 1.00 0.00 H new ATOM 0 HH11 ARG A 81 58.803 21.484 57.613 1.00 0.00 H new ATOM 0 HH12 ARG A 81 57.778 21.663 59.040 1.00 0.00 H new ATOM 0 HH21 ARG A 81 60.181 23.082 61.014 1.00 0.00 H new ATOM 0 HH22 ARG A 81 58.514 22.517 60.856 1.00 0.00 H new ATOM 1231 N ARG A 82 63.894 23.022 54.428 1.00 0.00 N ATOM 1232 CA ARG A 82 65.263 22.618 54.755 1.00 0.00 C ATOM 1233 C ARG A 82 65.953 23.821 55.394 1.00 0.00 C ATOM 1234 O ARG A 82 66.165 24.855 54.770 1.00 0.00 O ATOM 1235 CB ARG A 82 65.946 22.095 53.480 1.00 0.00 C ATOM 1236 CG ARG A 82 67.037 21.064 53.792 1.00 0.00 C ATOM 1237 CD ARG A 82 68.169 21.658 54.621 1.00 0.00 C ATOM 1238 NE ARG A 82 69.445 20.929 54.446 1.00 0.00 N ATOM 1239 CZ ARG A 82 70.657 21.450 54.549 1.00 0.00 C ATOM 1240 NH1 ARG A 82 70.856 22.627 55.055 1.00 0.00 N ATOM 1241 NH2 ARG A 82 71.690 20.785 54.134 1.00 0.00 N ATOM 0 H ARG A 82 63.857 23.997 54.131 1.00 0.00 H new ATOM 0 HA ARG A 82 65.307 21.799 55.473 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.198 21.645 52.827 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.383 22.931 52.934 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.598 20.224 54.329 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.440 20.670 52.859 1.00 0.00 H new ATOM 0 HD2 ARG A 82 68.310 22.702 54.342 1.00 0.00 H new ATOM 0 HD3 ARG A 82 67.889 21.645 55.674 1.00 0.00 H new ATOM 0 HE ARG A 82 69.385 19.935 54.226 1.00 0.00 H new ATOM 0 HH11 ARG A 82 70.066 23.179 55.388 1.00 0.00 H new ATOM 0 HH12 ARG A 82 71.803 23.001 55.120 1.00 0.00 H new ATOM 0 HH21 ARG A 82 71.570 19.858 53.727 1.00 0.00 H new ATOM 0 HH22 ARG A 82 72.623 21.189 54.215 1.00 0.00 H new ATOM 1255 N LEU A 83 66.253 23.695 56.679 1.00 0.00 N ATOM 1256 CA LEU A 83 66.990 24.691 57.447 1.00 0.00 C ATOM 1257 C LEU A 83 68.487 24.587 57.176 1.00 0.00 C ATOM 1258 O LEU A 83 68.988 23.516 56.848 1.00 0.00 O ATOM 1259 CB LEU A 83 66.719 24.569 58.952 1.00 0.00 C ATOM 1260 CG LEU A 83 65.434 25.233 59.463 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.157 24.889 58.692 1.00 0.00 C ATOM 1262 CD2 LEU A 83 65.233 24.902 60.942 1.00 0.00 C ATOM 0 H LEU A 83 65.985 22.879 57.230 1.00 0.00 H new ATOM 0 HA LEU A 83 66.637 25.670 57.121 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.684 23.510 59.209 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.564 25.000 59.489 1.00 0.00 H new ATOM 0 HG LEU A 83 65.590 26.300 59.304 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.311 25.412 59.138 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.266 25.196 57.652 1.00 0.00 H new ATOM 0 HD13 LEU A 83 63.983 23.814 58.737 1.00 0.00 H new ATOM 0 HD21 LEU A 83 64.319 25.376 61.300 1.00 0.00 H new ATOM 0 HD22 LEU A 83 65.154 23.822 61.066 1.00 0.00 H new ATOM 0 HD23 LEU A 83 66.082 25.272 61.516 1.00 0.00 H new ATOM 1274 N ASP A 84 69.213 25.681 57.366 1.00 0.00 N ATOM 1275 CA ASP A 84 70.670 25.721 57.187 1.00 0.00 C ATOM 1276 C ASP A 84 71.380 26.579 58.244 1.00 0.00 C ATOM 1277 O ASP A 84 72.428 27.164 58.003 1.00 0.00 O ATOM 1278 CB ASP A 84 71.034 26.057 55.728 1.00 0.00 C ATOM 1279 CG ASP A 84 72.403 25.508 55.305 1.00 0.00 C ATOM 1280 OD1 ASP A 84 72.798 24.413 55.782 1.00 0.00 O ATOM 1281 OD2 ASP A 84 73.013 26.076 54.378 1.00 0.00 O ATOM 0 H ASP A 84 68.811 26.574 57.650 1.00 0.00 H new ATOM 0 HA ASP A 84 71.062 24.720 57.369 1.00 0.00 H new ATOM 0 HB2 ASP A 84 70.268 25.653 55.067 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.028 27.139 55.599 1.00 0.00 H new ATOM 1286 N THR A 85 70.858 26.567 59.476 1.00 0.00 N ATOM 1287 CA THR A 85 71.600 26.906 60.713 1.00 0.00 C ATOM 1288 C THR A 85 72.601 25.773 61.046 1.00 0.00 C ATOM 1289 O THR A 85 72.565 25.102 62.079 1.00 0.00 O ATOM 1290 CB THR A 85 70.634 27.294 61.845 1.00 0.00 C ATOM 1291 OG1 THR A 85 71.404 27.718 62.937 1.00 0.00 O ATOM 1292 CG2 THR A 85 69.622 26.234 62.285 1.00 0.00 C ATOM 0 H THR A 85 69.885 26.316 59.653 1.00 0.00 H new ATOM 0 HA THR A 85 72.208 27.799 60.566 1.00 0.00 H new ATOM 0 HB THR A 85 70.001 28.083 61.439 1.00 0.00 H new ATOM 0 HG1 THR A 85 70.812 27.974 63.675 1.00 0.00 H new ATOM 0 HG21 THR A 85 69.002 26.634 63.088 1.00 0.00 H new ATOM 0 HG22 THR A 85 68.990 25.962 61.440 1.00 0.00 H new ATOM 0 HG23 THR A 85 70.152 25.351 62.641 1.00 0.00 H new ATOM 1300 N SER A 86 73.437 25.496 60.043 1.00 0.00 N ATOM 1301 CA SER A 86 74.337 24.343 59.907 1.00 0.00 C ATOM 1302 C SER A 86 75.684 24.724 59.265 1.00 0.00 C ATOM 1303 O SER A 86 76.492 23.861 58.933 1.00 0.00 O ATOM 1304 CB SER A 86 73.606 23.258 59.100 1.00 0.00 C ATOM 1305 OG SER A 86 74.156 21.972 59.307 1.00 0.00 O ATOM 0 H SER A 86 73.510 26.120 59.240 1.00 0.00 H new ATOM 0 HA SER A 86 74.586 23.962 60.898 1.00 0.00 H new ATOM 0 HB2 SER A 86 72.552 23.249 59.379 1.00 0.00 H new ATOM 0 HB3 SER A 86 73.653 23.504 58.039 1.00 0.00 H new ATOM 0 HG SER A 86 75.134 22.023 59.259 1.00 0.00 H new ATOM 1311 N LEU A 87 75.923 26.028 59.085 1.00 0.00 N ATOM 1312 CA LEU A 87 77.149 26.629 58.533 1.00 0.00 C ATOM 1313 C LEU A 87 77.727 27.732 59.440 1.00 0.00 C ATOM 1314 O LEU A 87 78.440 28.624 58.984 1.00 0.00 O ATOM 1315 CB LEU A 87 76.871 27.162 57.117 1.00 0.00 C ATOM 1316 CG LEU A 87 76.545 26.127 56.031 1.00 0.00 C ATOM 1317 CD1 LEU A 87 76.347 26.873 54.711 1.00 0.00 C ATOM 1318 CD2 LEU A 87 77.668 25.106 55.829 1.00 0.00 C ATOM 0 H LEU A 87 75.230 26.734 59.333 1.00 0.00 H new ATOM 0 HA LEU A 87 77.909 25.849 58.482 1.00 0.00 H new ATOM 0 HB2 LEU A 87 76.038 27.863 57.177 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.743 27.730 56.792 1.00 0.00 H new ATOM 0 HG LEU A 87 75.653 25.586 56.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 76.114 26.159 53.921 1.00 0.00 H new ATOM 0 HD12 LEU A 87 75.526 27.582 54.813 1.00 0.00 H new ATOM 0 HD13 LEU A 87 77.260 27.410 54.456 1.00 0.00 H new ATOM 0 HD21 LEU A 87 77.382 24.400 55.050 1.00 0.00 H new ATOM 0 HD22 LEU A 87 78.581 25.623 55.533 1.00 0.00 H new ATOM 0 HD23 LEU A 87 77.842 24.567 56.761 1.00 0.00 H new ATOM 1330 N GLY A 88 77.358 27.736 60.721 1.00 0.00 N ATOM 1331 CA GLY A 88 77.787 28.750 61.698 1.00 0.00 C ATOM 1332 C GLY A 88 77.082 30.108 61.596 1.00 0.00 C ATOM 1333 O GLY A 88 77.416 31.038 62.333 1.00 0.00 O ATOM 0 H GLY A 88 76.744 27.026 61.120 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.628 28.353 62.701 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.859 28.908 61.584 1.00 0.00 H new ATOM 1337 N CYS A 89 76.130 30.220 60.673 1.00 0.00 N ATOM 1338 CA CYS A 89 75.162 31.304 60.526 1.00 0.00 C ATOM 1339 C CYS A 89 73.750 30.724 60.259 1.00 0.00 C ATOM 1340 O CYS A 89 73.647 29.756 59.502 1.00 0.00 O ATOM 1341 CB CYS A 89 75.636 32.192 59.372 1.00 0.00 C ATOM 1342 SG CYS A 89 74.672 33.725 59.350 1.00 0.00 S ATOM 0 H CYS A 89 76.006 29.504 59.957 1.00 0.00 H new ATOM 0 HA CYS A 89 75.095 31.897 61.438 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.696 32.419 59.486 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.523 31.666 58.424 1.00 0.00 H new ATOM 0 HG CYS A 89 75.077 34.478 58.371 1.00 0.00 H new ATOM 1348 N PRO A 90 72.665 31.259 60.852 1.00 0.00 N ATOM 1349 CA PRO A 90 71.307 30.756 60.654 1.00 0.00 C ATOM 1350 C PRO A 90 70.670 31.142 59.310 1.00 0.00 C ATOM 1351 O PRO A 90 70.685 32.309 58.910 1.00 0.00 O ATOM 1352 CB PRO A 90 70.491 31.275 61.841 1.00 0.00 C ATOM 1353 CG PRO A 90 71.231 32.548 62.248 1.00 0.00 C ATOM 1354 CD PRO A 90 72.684 32.171 61.983 1.00 0.00 C ATOM 0 HA PRO A 90 71.328 29.667 60.612 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.459 31.483 61.559 1.00 0.00 H new ATOM 0 HB3 PRO A 90 70.460 30.551 62.655 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.919 33.408 61.656 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.060 32.802 63.294 1.00 0.00 H new ATOM 0 HD2 PRO A 90 73.281 33.055 61.760 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.129 31.697 62.858 1.00 0.00 H new ATOM 1362 N ARG A 91 70.022 30.157 58.670 1.00 0.00 N ATOM 1363 CA ARG A 91 69.110 30.262 57.508 1.00 0.00 C ATOM 1364 C ARG A 91 67.983 29.231 57.612 1.00 0.00 C ATOM 1365 O ARG A 91 68.119 28.192 58.264 1.00 0.00 O ATOM 1366 CB ARG A 91 69.862 30.015 56.192 1.00 0.00 C ATOM 1367 CG ARG A 91 70.914 31.071 55.834 1.00 0.00 C ATOM 1368 CD ARG A 91 70.242 32.445 55.762 1.00 0.00 C ATOM 1369 NE ARG A 91 71.135 33.476 55.211 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.828 34.347 55.918 1.00 0.00 C ATOM 1371 NH1 ARG A 91 71.847 34.378 57.221 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.545 35.235 55.310 1.00 0.00 N ATOM 0 H ARG A 91 70.127 29.188 58.971 1.00 0.00 H new ATOM 0 HA ARG A 91 68.698 31.271 57.513 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.351 29.042 56.248 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.135 29.960 55.382 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.707 31.079 56.581 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.379 30.829 54.878 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.346 32.377 55.145 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.920 32.742 56.760 1.00 0.00 H new ATOM 0 HE ARG A 91 71.226 33.521 54.196 1.00 0.00 H new ATOM 0 HH11 ARG A 91 71.303 33.700 57.755 1.00 0.00 H new ATOM 0 HH12 ARG A 91 72.406 35.080 57.706 1.00 0.00 H new ATOM 0 HH21 ARG A 91 72.572 35.258 54.291 1.00 0.00 H new ATOM 0 HH22 ARG A 91 73.084 35.912 55.850 1.00 0.00 H new ATOM 1386 N MET A 92 66.893 29.503 56.910 1.00 0.00 N ATOM 1387 CA MET A 92 65.676 28.719 56.794 1.00 0.00 C ATOM 1388 C MET A 92 65.185 28.823 55.342 1.00 0.00 C ATOM 1389 O MET A 92 64.993 29.928 54.845 1.00 0.00 O ATOM 1390 CB MET A 92 64.643 29.330 57.738 1.00 0.00 C ATOM 1391 CG MET A 92 64.556 28.702 59.126 1.00 0.00 C ATOM 1392 SD MET A 92 63.656 29.689 60.356 1.00 0.00 S ATOM 1393 CE MET A 92 61.943 29.408 59.832 1.00 0.00 C ATOM 0 H MET A 92 66.835 30.358 56.357 1.00 0.00 H new ATOM 0 HA MET A 92 65.840 27.672 57.051 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.867 30.390 57.853 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.663 29.261 57.267 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.073 27.729 59.039 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.567 28.525 59.493 1.00 0.00 H new ATOM 0 HE1 MET A 92 61.393 30.349 59.865 1.00 0.00 H new ATOM 0 HE2 MET A 92 61.933 29.018 58.814 1.00 0.00 H new ATOM 0 HE3 MET A 92 61.471 28.688 60.501 1.00 0.00 H new ATOM 1403 N GLU A 93 64.957 27.714 54.647 1.00 0.00 N ATOM 1404 CA GLU A 93 64.470 27.747 53.254 1.00 0.00 C ATOM 1405 C GLU A 93 63.306 26.774 53.030 1.00 0.00 C ATOM 1406 O GLU A 93 63.229 25.722 53.670 1.00 0.00 O ATOM 1407 CB GLU A 93 65.656 27.538 52.302 1.00 0.00 C ATOM 1408 CG GLU A 93 65.265 27.476 50.818 1.00 0.00 C ATOM 1409 CD GLU A 93 66.495 27.377 49.913 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.370 28.275 49.950 1.00 0.00 O ATOM 1411 OE2 GLU A 93 66.591 26.375 49.166 1.00 0.00 O ATOM 0 H GLU A 93 65.099 26.774 55.018 1.00 0.00 H new ATOM 0 HA GLU A 93 64.046 28.727 53.035 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.370 28.349 52.445 1.00 0.00 H new ATOM 0 HB3 GLU A 93 66.166 26.613 52.571 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.618 26.616 50.648 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.690 28.364 50.555 1.00 0.00 H new ATOM 1418 N VAL A 94 62.373 27.150 52.147 1.00 0.00 N ATOM 1419 CA VAL A 94 61.159 26.397 51.829 1.00 0.00 C ATOM 1420 C VAL A 94 61.027 26.184 50.322 1.00 0.00 C ATOM 1421 O VAL A 94 61.502 26.972 49.500 1.00 0.00 O ATOM 1422 CB VAL A 94 59.876 27.018 52.436 1.00 0.00 C ATOM 1423 CG1 VAL A 94 60.101 27.641 53.823 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.176 28.050 51.545 1.00 0.00 C ATOM 0 H VAL A 94 62.448 28.018 51.617 1.00 0.00 H new ATOM 0 HA VAL A 94 61.266 25.422 52.303 1.00 0.00 H new ATOM 0 HB VAL A 94 59.217 26.155 52.526 1.00 0.00 H new ATOM 0 HG11 VAL A 94 59.164 28.058 54.191 1.00 0.00 H new ATOM 0 HG12 VAL A 94 60.453 26.875 54.513 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.846 28.433 53.750 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.289 28.428 52.054 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.857 28.876 51.341 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.883 27.581 50.606 1.00 0.00 H new ATOM 1434 N VAL A 95 60.337 25.111 49.963 1.00 0.00 N ATOM 1435 CA VAL A 95 60.014 24.737 48.588 1.00 0.00 C ATOM 1436 C VAL A 95 58.532 24.391 48.499 1.00 0.00 C ATOM 1437 O VAL A 95 57.992 23.719 49.387 1.00 0.00 O ATOM 1438 CB VAL A 95 60.915 23.589 48.072 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.401 23.844 48.378 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.590 22.208 48.655 1.00 0.00 C ATOM 0 H VAL A 95 59.971 24.449 50.647 1.00 0.00 H new ATOM 0 HA VAL A 95 60.215 25.585 47.934 1.00 0.00 H new ATOM 0 HB VAL A 95 60.713 23.581 47.001 1.00 0.00 H new ATOM 0 HG11 VAL A 95 62.998 23.015 47.999 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.718 24.769 47.897 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.541 23.929 49.456 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.271 21.467 48.237 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.704 22.235 49.739 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.564 21.940 48.404 1.00 0.00 H new ATOM 1450 N CYS A 96 57.878 24.794 47.413 1.00 0.00 N ATOM 1451 CA CYS A 96 56.630 24.190 47.036 1.00 0.00 C ATOM 1452 C CYS A 96 56.973 22.830 46.404 1.00 0.00 C ATOM 1453 O CYS A 96 57.399 22.690 45.259 1.00 0.00 O ATOM 1454 CB CYS A 96 55.873 25.168 46.158 1.00 0.00 C ATOM 1455 SG CYS A 96 54.366 24.339 45.606 1.00 0.00 S ATOM 0 H CYS A 96 58.200 25.534 46.789 1.00 0.00 H new ATOM 0 HA CYS A 96 55.954 23.983 47.866 1.00 0.00 H new ATOM 0 HB2 CYS A 96 55.632 26.075 46.712 1.00 0.00 H new ATOM 0 HB3 CYS A 96 56.481 25.468 45.305 1.00 0.00 H new ATOM 0 HG CYS A 96 54.025 24.792 44.436 1.00 0.00 H new ATOM 1460 N LYS A 97 56.866 21.810 47.243 1.00 0.00 N ATOM 1461 CA LYS A 97 57.064 20.400 46.899 1.00 0.00 C ATOM 1462 C LYS A 97 55.971 19.893 45.938 1.00 0.00 C ATOM 1463 O LYS A 97 56.168 18.854 45.304 1.00 0.00 O ATOM 1464 CB LYS A 97 57.262 19.654 48.234 1.00 0.00 C ATOM 1465 CG LYS A 97 57.057 18.140 48.225 1.00 0.00 C ATOM 1466 CD LYS A 97 55.574 17.776 48.393 1.00 0.00 C ATOM 1467 CE LYS A 97 55.403 16.266 48.409 1.00 0.00 C ATOM 1468 NZ LYS A 97 54.000 15.889 48.136 1.00 0.00 N ATOM 0 H LYS A 97 56.629 21.943 48.226 1.00 0.00 H new ATOM 0 HA LYS A 97 57.958 20.213 46.304 1.00 0.00 H new ATOM 0 HB2 LYS A 97 58.273 19.856 48.587 1.00 0.00 H new ATOM 0 HB3 LYS A 97 56.577 20.083 48.966 1.00 0.00 H new ATOM 0 HG2 LYS A 97 57.431 17.726 47.289 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.638 17.688 49.029 1.00 0.00 H new ATOM 0 HD2 LYS A 97 55.190 18.203 49.320 1.00 0.00 H new ATOM 0 HD3 LYS A 97 54.992 18.207 47.578 1.00 0.00 H new ATOM 0 HE2 LYS A 97 56.056 15.814 47.663 1.00 0.00 H new ATOM 0 HE3 LYS A 97 55.707 15.872 49.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.909 14.853 48.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 53.382 16.302 48.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 53.720 16.246 47.200 1.00 0.00 H new ATOM 1482 N GLN A 98 54.863 20.626 45.775 1.00 0.00 N ATOM 1483 CA GLN A 98 53.834 20.372 44.771 1.00 0.00 C ATOM 1484 C GLN A 98 54.344 20.591 43.343 1.00 0.00 C ATOM 1485 O GLN A 98 54.188 19.724 42.476 1.00 0.00 O ATOM 1486 CB GLN A 98 52.570 21.220 45.001 1.00 0.00 C ATOM 1487 CG GLN A 98 52.038 21.202 46.433 1.00 0.00 C ATOM 1488 CD GLN A 98 50.590 21.673 46.502 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.277 22.856 46.481 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.649 20.755 46.530 1.00 0.00 N ATOM 0 H GLN A 98 54.656 21.436 46.359 1.00 0.00 H new ATOM 0 HA GLN A 98 53.572 19.320 44.886 1.00 0.00 H new ATOM 0 HB2 GLN A 98 52.786 22.251 44.721 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.785 20.866 44.332 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.112 20.192 46.836 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.659 21.842 47.060 1.00 0.00 H new ATOM 0 HE21 GLN A 98 49.901 19.767 46.548 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.667 21.031 46.534 1.00 0.00 H new ATOM 1499 N CYS A 99 54.962 21.747 43.120 1.00 0.00 N ATOM 1500 CA CYS A 99 55.424 22.260 41.840 1.00 0.00 C ATOM 1501 C CYS A 99 56.939 22.087 41.596 1.00 0.00 C ATOM 1502 O CYS A 99 57.398 22.274 40.467 1.00 0.00 O ATOM 1503 CB CYS A 99 54.975 23.722 41.749 1.00 0.00 C ATOM 1504 SG CYS A 99 54.822 24.599 43.319 1.00 0.00 S ATOM 0 H CYS A 99 55.166 22.392 43.883 1.00 0.00 H new ATOM 0 HA CYS A 99 54.977 21.669 41.040 1.00 0.00 H new ATOM 0 HB2 CYS A 99 55.684 24.261 41.121 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.011 23.755 41.241 1.00 0.00 H new ATOM 0 HG CYS A 99 54.338 23.796 44.219 1.00 0.00 H new ATOM 1509 N GLU A 100 57.683 21.731 42.643 1.00 0.00 N ATOM 1510 CA GLU A 100 59.139 21.865 42.762 1.00 0.00 C ATOM 1511 C GLU A 100 59.631 23.328 42.843 1.00 0.00 C ATOM 1512 O GLU A 100 60.815 23.597 42.646 1.00 0.00 O ATOM 1513 CB GLU A 100 59.855 20.998 41.711 1.00 0.00 C ATOM 1514 CG GLU A 100 61.190 20.470 42.216 1.00 0.00 C ATOM 1515 CD GLU A 100 61.930 19.721 41.110 1.00 0.00 C ATOM 1516 OE1 GLU A 100 62.570 20.358 40.238 1.00 0.00 O ATOM 1517 OE2 GLU A 100 61.937 18.470 41.138 1.00 0.00 O ATOM 0 H GLU A 100 57.266 21.319 43.477 1.00 0.00 H new ATOM 0 HA GLU A 100 59.425 21.466 43.735 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.215 20.160 41.437 1.00 0.00 H new ATOM 0 HB3 GLU A 100 60.017 21.585 40.807 1.00 0.00 H new ATOM 0 HG2 GLU A 100 61.802 21.298 42.573 1.00 0.00 H new ATOM 0 HG3 GLU A 100 61.026 19.806 43.065 1.00 0.00 H new ATOM 1524 N ALA A 101 58.757 24.292 43.163 1.00 0.00 N ATOM 1525 CA ALA A 101 59.109 25.711 43.197 1.00 0.00 C ATOM 1526 C ALA A 101 59.938 26.079 44.452 1.00 0.00 C ATOM 1527 O ALA A 101 59.432 26.515 45.488 1.00 0.00 O ATOM 1528 CB ALA A 101 57.847 26.553 42.951 1.00 0.00 C ATOM 0 H ALA A 101 57.784 24.105 43.406 1.00 0.00 H new ATOM 0 HA ALA A 101 59.793 25.951 42.383 1.00 0.00 H new ATOM 0 HB1 ALA A 101 58.105 27.612 42.976 1.00 0.00 H new ATOM 0 HB2 ALA A 101 57.428 26.304 41.976 1.00 0.00 H new ATOM 0 HB3 ALA A 101 57.111 26.341 43.727 1.00 0.00 H new ATOM 1534 N HIS A 102 61.258 25.905 44.355 1.00 0.00 N ATOM 1535 CA HIS A 102 62.234 26.119 45.430 1.00 0.00 C ATOM 1536 C HIS A 102 62.785 27.557 45.479 1.00 0.00 C ATOM 1537 O HIS A 102 63.950 27.812 45.168 1.00 0.00 O ATOM 1538 CB HIS A 102 63.312 25.030 45.327 1.00 0.00 C ATOM 1539 CG HIS A 102 64.003 24.916 43.990 1.00 0.00 C ATOM 1540 ND1 HIS A 102 64.894 25.814 43.457 1.00 0.00 N ATOM 1541 CD2 HIS A 102 63.869 23.903 43.084 1.00 0.00 C ATOM 1542 CE1 HIS A 102 65.284 25.360 42.255 1.00 0.00 C ATOM 1543 NE2 HIS A 102 64.687 24.188 41.982 1.00 0.00 N ATOM 0 H HIS A 102 61.697 25.597 43.487 1.00 0.00 H new ATOM 0 HA HIS A 102 61.738 26.020 46.395 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.067 25.219 46.090 1.00 0.00 H new ATOM 0 HB3 HIS A 102 62.855 24.069 45.562 1.00 0.00 H new ATOM 0 HD1 HIS A 102 65.207 26.679 43.899 1.00 0.00 H new ATOM 0 HD2 HIS A 102 63.241 23.032 43.197 1.00 0.00 H new ATOM 0 HE1 HIS A 102 65.979 25.865 41.601 1.00 0.00 H new ATOM 1551 N LEU A 103 61.926 28.525 45.825 1.00 0.00 N ATOM 1552 CA LEU A 103 62.259 29.958 45.707 1.00 0.00 C ATOM 1553 C LEU A 103 61.910 30.894 46.881 1.00 0.00 C ATOM 1554 O LEU A 103 62.132 32.104 46.774 1.00 0.00 O ATOM 1555 CB LEU A 103 61.833 30.487 44.319 1.00 0.00 C ATOM 1556 CG LEU A 103 60.343 30.697 43.969 1.00 0.00 C ATOM 1557 CD1 LEU A 103 59.522 29.421 43.968 1.00 0.00 C ATOM 1558 CD2 LEU A 103 59.617 31.710 44.845 1.00 0.00 C ATOM 0 H LEU A 103 60.991 28.345 46.191 1.00 0.00 H new ATOM 0 HA LEU A 103 63.345 29.990 45.792 1.00 0.00 H new ATOM 0 HB2 LEU A 103 62.332 31.445 44.176 1.00 0.00 H new ATOM 0 HB3 LEU A 103 62.241 29.801 43.577 1.00 0.00 H new ATOM 0 HG LEU A 103 60.410 31.092 42.955 1.00 0.00 H new ATOM 0 HD11 LEU A 103 58.488 29.654 43.713 1.00 0.00 H new ATOM 0 HD12 LEU A 103 59.929 28.727 43.233 1.00 0.00 H new ATOM 0 HD13 LEU A 103 59.558 28.964 44.957 1.00 0.00 H new ATOM 0 HD21 LEU A 103 58.578 31.790 44.524 1.00 0.00 H new ATOM 0 HD22 LEU A 103 59.652 31.383 45.884 1.00 0.00 H new ATOM 0 HD23 LEU A 103 60.101 32.683 44.754 1.00 0.00 H new ATOM 1570 N GLY A 104 61.430 30.377 48.011 1.00 0.00 N ATOM 1571 CA GLY A 104 61.151 31.150 49.220 1.00 0.00 C ATOM 1572 C GLY A 104 62.093 30.806 50.368 1.00 0.00 C ATOM 1573 O GLY A 104 62.245 29.647 50.738 1.00 0.00 O ATOM 0 H GLY A 104 61.219 29.384 48.114 1.00 0.00 H new ATOM 0 HA2 GLY A 104 61.233 32.213 48.994 1.00 0.00 H new ATOM 0 HA3 GLY A 104 60.123 30.969 49.533 1.00 0.00 H new ATOM 1577 N HIS A 105 62.696 31.817 50.975 1.00 0.00 N ATOM 1578 CA HIS A 105 63.558 31.644 52.147 1.00 0.00 C ATOM 1579 C HIS A 105 63.540 32.796 53.130 1.00 0.00 C ATOM 1580 O HIS A 105 63.202 33.931 52.815 1.00 0.00 O ATOM 1581 CB HIS A 105 64.996 31.407 51.714 1.00 0.00 C ATOM 1582 CG HIS A 105 65.503 32.410 50.723 1.00 0.00 C ATOM 1583 ND1 HIS A 105 65.356 33.776 50.787 1.00 0.00 N ATOM 1584 CD2 HIS A 105 66.143 32.116 49.559 1.00 0.00 C ATOM 1585 CE1 HIS A 105 65.922 34.304 49.695 1.00 0.00 C ATOM 1586 NE2 HIS A 105 66.399 33.327 48.903 1.00 0.00 N ATOM 0 H HIS A 105 62.604 32.787 50.672 1.00 0.00 H new ATOM 0 HA HIS A 105 63.145 30.780 52.668 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.638 31.424 52.595 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.075 30.410 51.281 1.00 0.00 H new ATOM 0 HD1 HIS A 105 64.896 34.295 51.535 1.00 0.00 H new ATOM 0 HD2 HIS A 105 66.406 31.130 49.206 1.00 0.00 H new ATOM 0 HE1 HIS A 105 65.986 35.361 49.481 1.00 0.00 H new ATOM 1594 N VAL A 106 63.979 32.476 54.333 1.00 0.00 N ATOM 1595 CA VAL A 106 63.900 33.335 55.510 1.00 0.00 C ATOM 1596 C VAL A 106 65.168 33.291 56.359 1.00 0.00 C ATOM 1597 O VAL A 106 65.854 32.280 56.510 1.00 0.00 O ATOM 1598 CB VAL A 106 62.594 33.094 56.299 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.365 31.667 56.787 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.433 34.015 57.501 1.00 0.00 C ATOM 0 H VAL A 106 64.418 31.577 54.529 1.00 0.00 H new ATOM 0 HA VAL A 106 63.848 34.367 55.163 1.00 0.00 H new ATOM 0 HB VAL A 106 61.845 33.316 55.539 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.420 31.615 57.327 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.333 30.991 55.933 1.00 0.00 H new ATOM 0 HG13 VAL A 106 63.179 31.374 57.450 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.495 33.791 58.008 1.00 0.00 H new ATOM 0 HG22 VAL A 106 63.264 33.862 58.190 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.425 35.052 57.166 1.00 0.00 H new ATOM 1610 N PHE A 107 65.478 34.469 56.868 1.00 0.00 N ATOM 1611 CA PHE A 107 66.568 34.776 57.789 1.00 0.00 C ATOM 1612 C PHE A 107 66.181 35.950 58.708 1.00 0.00 C ATOM 1613 O PHE A 107 65.328 36.761 58.323 1.00 0.00 O ATOM 1614 CB PHE A 107 67.835 35.085 56.971 1.00 0.00 C ATOM 1615 CG PHE A 107 67.646 36.018 55.784 1.00 0.00 C ATOM 1616 CD1 PHE A 107 67.617 37.413 55.968 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.505 35.485 54.485 1.00 0.00 C ATOM 1618 CE1 PHE A 107 67.448 38.269 54.865 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.342 36.341 53.381 1.00 0.00 C ATOM 1620 CZ PHE A 107 67.314 37.734 53.572 1.00 0.00 C ATOM 0 H PHE A 107 64.937 35.301 56.634 1.00 0.00 H new ATOM 0 HA PHE A 107 66.767 33.919 58.433 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.578 35.523 57.638 1.00 0.00 H new ATOM 0 HB3 PHE A 107 68.248 34.144 56.607 1.00 0.00 H new ATOM 0 HD1 PHE A 107 67.725 37.827 56.959 1.00 0.00 H new ATOM 0 HD2 PHE A 107 67.522 34.415 54.338 1.00 0.00 H new ATOM 0 HE1 PHE A 107 67.421 39.339 55.012 1.00 0.00 H new ATOM 0 HE2 PHE A 107 67.238 35.929 52.388 1.00 0.00 H new ATOM 0 HZ PHE A 107 67.190 38.393 52.725 1.00 0.00 H new ATOM 1630 N PRO A 108 66.799 36.088 59.899 1.00 0.00 N ATOM 1631 CA PRO A 108 66.725 37.319 60.677 1.00 0.00 C ATOM 1632 C PRO A 108 67.490 38.427 59.951 1.00 0.00 C ATOM 1633 O PRO A 108 68.565 38.193 59.403 1.00 0.00 O ATOM 1634 CB PRO A 108 67.356 36.987 62.030 1.00 0.00 C ATOM 1635 CG PRO A 108 68.402 35.930 61.670 1.00 0.00 C ATOM 1636 CD PRO A 108 67.751 35.165 60.515 1.00 0.00 C ATOM 0 HA PRO A 108 65.704 37.676 60.808 1.00 0.00 H new ATOM 0 HB2 PRO A 108 67.810 37.865 62.490 1.00 0.00 H new ATOM 0 HB3 PRO A 108 66.620 36.603 62.736 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.346 36.385 61.369 1.00 0.00 H new ATOM 0 HG3 PRO A 108 68.619 35.275 62.514 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.500 34.839 59.793 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.246 34.269 60.877 1.00 0.00 H new ATOM 1644 N ASP A 109 66.992 39.659 59.989 1.00 0.00 N ATOM 1645 CA ASP A 109 67.653 40.808 59.358 1.00 0.00 C ATOM 1646 C ASP A 109 68.744 41.449 60.235 1.00 0.00 C ATOM 1647 O ASP A 109 69.158 42.588 60.014 1.00 0.00 O ATOM 1648 CB ASP A 109 66.586 41.774 58.849 1.00 0.00 C ATOM 1649 CG ASP A 109 65.863 42.582 59.928 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.585 42.062 61.027 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.564 43.772 59.659 1.00 0.00 O ATOM 0 H ASP A 109 66.117 39.894 60.458 1.00 0.00 H new ATOM 0 HA ASP A 109 68.223 40.463 58.496 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.053 42.469 58.151 1.00 0.00 H new ATOM 0 HB3 ASP A 109 65.845 41.206 58.287 1.00 0.00 H new ATOM 1656 N GLY A 110 69.200 40.696 61.234 1.00 0.00 N ATOM 1657 CA GLY A 110 70.180 41.071 62.262 1.00 0.00 C ATOM 1658 C GLY A 110 69.737 40.670 63.681 1.00 0.00 C ATOM 1659 O GLY A 110 70.408 39.836 64.294 1.00 0.00 O ATOM 0 H GLY A 110 68.873 39.738 61.359 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.136 40.597 62.037 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.342 42.148 62.227 1.00 0.00 H new ATOM 1663 N PRO A 111 68.631 41.245 64.204 1.00 0.00 N ATOM 1664 CA PRO A 111 68.146 41.068 65.577 1.00 0.00 C ATOM 1665 C PRO A 111 67.233 39.830 65.755 1.00 0.00 C ATOM 1666 O PRO A 111 67.358 38.830 65.043 1.00 0.00 O ATOM 1667 CB PRO A 111 67.465 42.416 65.878 1.00 0.00 C ATOM 1668 CG PRO A 111 66.800 42.757 64.548 1.00 0.00 C ATOM 1669 CD PRO A 111 67.855 42.296 63.547 1.00 0.00 C ATOM 0 HA PRO A 111 68.942 40.845 66.287 1.00 0.00 H new ATOM 0 HB2 PRO A 111 66.737 42.331 66.685 1.00 0.00 H new ATOM 0 HB3 PRO A 111 68.186 43.177 66.177 1.00 0.00 H new ATOM 0 HG2 PRO A 111 65.854 42.232 64.417 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.588 43.822 64.458 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.387 41.919 62.638 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.498 43.126 63.254 1.00 0.00 H new ATOM 1677 N LYS A 112 66.340 39.882 66.757 1.00 0.00 N ATOM 1678 CA LYS A 112 65.340 38.857 67.129 1.00 0.00 C ATOM 1679 C LYS A 112 64.528 38.321 65.934 1.00 0.00 C ATOM 1680 O LYS A 112 64.230 39.075 65.006 1.00 0.00 O ATOM 1681 CB LYS A 112 64.397 39.420 68.221 1.00 0.00 C ATOM 1682 CG LYS A 112 64.745 38.958 69.648 1.00 0.00 C ATOM 1683 CD LYS A 112 66.113 39.405 70.180 1.00 0.00 C ATOM 1684 CE LYS A 112 66.130 40.875 70.618 1.00 0.00 C ATOM 1685 NZ LYS A 112 67.499 41.296 70.999 1.00 0.00 N ATOM 0 H LYS A 112 66.291 40.694 67.372 1.00 0.00 H new ATOM 0 HA LYS A 112 65.895 38.003 67.517 1.00 0.00 H new ATOM 0 HB2 LYS A 112 64.426 40.509 68.185 1.00 0.00 H new ATOM 0 HB3 LYS A 112 63.374 39.121 67.993 1.00 0.00 H new ATOM 0 HG2 LYS A 112 63.975 39.325 70.326 1.00 0.00 H new ATOM 0 HG3 LYS A 112 64.703 37.869 69.677 1.00 0.00 H new ATOM 0 HD2 LYS A 112 66.392 38.776 71.025 1.00 0.00 H new ATOM 0 HD3 LYS A 112 66.866 39.252 69.407 1.00 0.00 H new ATOM 0 HE2 LYS A 112 65.764 41.505 69.807 1.00 0.00 H new ATOM 0 HE3 LYS A 112 65.454 41.016 71.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 67.486 42.294 71.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 67.836 40.708 71.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 68.136 41.182 70.185 1.00 0.00 H new ATOM 1699 N PRO A 113 64.081 37.046 65.974 1.00 0.00 N ATOM 1700 CA PRO A 113 63.357 36.409 64.869 1.00 0.00 C ATOM 1701 C PRO A 113 61.969 37.002 64.592 1.00 0.00 C ATOM 1702 O PRO A 113 61.363 36.690 63.572 1.00 0.00 O ATOM 1703 CB PRO A 113 63.248 34.929 65.244 1.00 0.00 C ATOM 1704 CG PRO A 113 63.234 34.973 66.768 1.00 0.00 C ATOM 1705 CD PRO A 113 64.228 36.093 67.068 1.00 0.00 C ATOM 0 HA PRO A 113 63.904 36.575 63.941 1.00 0.00 H new ATOM 0 HB2 PRO A 113 62.342 34.475 64.843 1.00 0.00 H new ATOM 0 HB3 PRO A 113 64.090 34.351 64.863 1.00 0.00 H new ATOM 0 HG2 PRO A 113 62.241 35.194 67.160 1.00 0.00 H new ATOM 0 HG3 PRO A 113 63.545 34.024 67.206 1.00 0.00 H new ATOM 0 HD2 PRO A 113 64.013 36.562 68.028 1.00 0.00 H new ATOM 0 HD3 PRO A 113 65.247 35.710 67.121 1.00 0.00 H new ATOM 1713 N THR A 114 61.474 37.900 65.440 1.00 0.00 N ATOM 1714 CA THR A 114 60.308 38.738 65.103 1.00 0.00 C ATOM 1715 C THR A 114 60.551 39.590 63.848 1.00 0.00 C ATOM 1716 O THR A 114 59.606 39.882 63.115 1.00 0.00 O ATOM 1717 CB THR A 114 59.961 39.656 66.280 1.00 0.00 C ATOM 1718 OG1 THR A 114 61.143 40.228 66.794 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.300 38.893 67.427 1.00 0.00 C ATOM 0 H THR A 114 61.858 38.072 66.369 1.00 0.00 H new ATOM 0 HA THR A 114 59.477 38.064 64.896 1.00 0.00 H new ATOM 0 HB THR A 114 59.272 40.411 65.902 1.00 0.00 H new ATOM 0 HG1 THR A 114 60.922 40.817 67.546 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.072 39.583 68.239 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.378 38.431 67.073 1.00 0.00 H new ATOM 0 HG23 THR A 114 59.978 38.120 67.788 1.00 0.00 H new ATOM 1727 N GLY A 115 61.816 39.925 63.556 1.00 0.00 N ATOM 1728 CA GLY A 115 62.273 40.599 62.340 1.00 0.00 C ATOM 1729 C GLY A 115 62.626 39.696 61.155 1.00 0.00 C ATOM 1730 O GLY A 115 63.142 40.187 60.151 1.00 0.00 O ATOM 0 H GLY A 115 62.584 39.721 64.196 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.496 41.293 62.021 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.151 41.195 62.589 1.00 0.00 H new ATOM 1734 N GLN A 116 62.390 38.384 61.246 1.00 0.00 N ATOM 1735 CA GLN A 116 62.657 37.467 60.140 1.00 0.00 C ATOM 1736 C GLN A 116 61.868 37.846 58.880 1.00 0.00 C ATOM 1737 O GLN A 116 60.640 37.951 58.901 1.00 0.00 O ATOM 1738 CB GLN A 116 62.340 36.022 60.521 1.00 0.00 C ATOM 1739 CG GLN A 116 63.381 35.343 61.420 1.00 0.00 C ATOM 1740 CD GLN A 116 63.736 33.945 60.943 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.832 33.672 60.485 1.00 0.00 O ATOM 1742 NE2 GLN A 116 62.819 33.010 61.016 1.00 0.00 N ATOM 0 H GLN A 116 62.013 37.934 62.080 1.00 0.00 H new ATOM 0 HA GLN A 116 63.722 37.551 59.922 1.00 0.00 H new ATOM 0 HB2 GLN A 116 61.375 35.999 61.028 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.234 35.437 59.608 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.284 35.953 61.451 1.00 0.00 H new ATOM 0 HG3 GLN A 116 62.997 35.290 62.439 1.00 0.00 H new ATOM 0 HE21 GLN A 116 61.898 33.227 61.398 1.00 0.00 H new ATOM 0 HE22 GLN A 116 63.027 32.066 60.691 1.00 0.00 H new ATOM 1751 N ARG A 117 62.581 37.982 57.759 1.00 0.00 N ATOM 1752 CA ARG A 117 62.014 38.354 56.455 1.00 0.00 C ATOM 1753 C ARG A 117 62.047 37.152 55.523 1.00 0.00 C ATOM 1754 O ARG A 117 63.113 36.622 55.214 1.00 0.00 O ATOM 1755 CB ARG A 117 62.745 39.545 55.817 1.00 0.00 C ATOM 1756 CG ARG A 117 63.098 40.719 56.748 1.00 0.00 C ATOM 1757 CD ARG A 117 63.712 41.858 55.918 1.00 0.00 C ATOM 1758 NE ARG A 117 64.249 42.954 56.748 1.00 0.00 N ATOM 1759 CZ ARG A 117 64.812 44.064 56.299 1.00 0.00 C ATOM 1760 NH1 ARG A 117 64.847 44.361 55.031 1.00 0.00 N ATOM 1761 NH2 ARG A 117 65.365 44.892 57.127 1.00 0.00 N ATOM 0 H ARG A 117 63.590 37.834 57.729 1.00 0.00 H new ATOM 0 HA ARG A 117 60.983 38.667 56.619 1.00 0.00 H new ATOM 0 HB2 ARG A 117 63.668 39.177 55.368 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.127 39.928 55.005 1.00 0.00 H new ATOM 0 HG2 ARG A 117 62.205 41.070 57.264 1.00 0.00 H new ATOM 0 HG3 ARG A 117 63.801 40.392 57.514 1.00 0.00 H new ATOM 0 HD2 ARG A 117 64.512 41.456 55.296 1.00 0.00 H new ATOM 0 HD3 ARG A 117 62.954 42.258 55.244 1.00 0.00 H new ATOM 0 HE ARG A 117 64.180 42.846 57.760 1.00 0.00 H new ATOM 0 HH11 ARG A 117 64.431 43.728 54.347 1.00 0.00 H new ATOM 0 HH12 ARG A 117 65.290 45.226 54.722 1.00 0.00 H new ATOM 0 HH21 ARG A 117 65.367 44.689 58.127 1.00 0.00 H new ATOM 0 HH22 ARG A 117 65.799 45.747 56.780 1.00 0.00 H new ATOM 1775 N PHE A 118 60.880 36.737 55.057 1.00 0.00 N ATOM 1776 CA PHE A 118 60.714 35.610 54.133 1.00 0.00 C ATOM 1777 C PHE A 118 60.772 36.102 52.689 1.00 0.00 C ATOM 1778 O PHE A 118 59.769 36.260 51.999 1.00 0.00 O ATOM 1779 CB PHE A 118 59.448 34.834 54.475 1.00 0.00 C ATOM 1780 CG PHE A 118 59.090 33.684 53.540 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.937 32.569 53.401 1.00 0.00 C ATOM 1782 CD2 PHE A 118 57.891 33.722 52.807 1.00 0.00 C ATOM 1783 CE1 PHE A 118 59.593 31.513 52.542 1.00 0.00 C ATOM 1784 CE2 PHE A 118 57.560 32.685 51.921 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.408 31.575 51.789 1.00 0.00 C ATOM 0 H PHE A 118 59.997 37.180 55.312 1.00 0.00 H new ATOM 0 HA PHE A 118 61.538 34.905 54.244 1.00 0.00 H new ATOM 0 HB2 PHE A 118 59.553 34.435 55.484 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.612 35.533 54.494 1.00 0.00 H new ATOM 0 HD1 PHE A 118 60.860 32.525 53.960 1.00 0.00 H new ATOM 0 HD2 PHE A 118 57.218 34.558 52.927 1.00 0.00 H new ATOM 0 HE1 PHE A 118 60.240 30.652 52.460 1.00 0.00 H new ATOM 0 HE2 PHE A 118 56.651 32.742 51.340 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.152 30.773 51.113 1.00 0.00 H new ATOM 1795 N CYS A 119 61.997 36.380 52.271 1.00 0.00 N ATOM 1796 CA CYS A 119 62.328 36.828 50.927 1.00 0.00 C ATOM 1797 C CYS A 119 62.057 35.740 49.889 1.00 0.00 C ATOM 1798 O CYS A 119 62.468 34.581 49.993 1.00 0.00 O ATOM 1799 CB CYS A 119 63.756 37.350 50.880 1.00 0.00 C ATOM 1800 SG CYS A 119 64.340 37.681 49.188 1.00 0.00 S ATOM 0 H CYS A 119 62.814 36.298 52.876 1.00 0.00 H new ATOM 0 HA CYS A 119 61.673 37.659 50.665 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.821 38.267 51.466 1.00 0.00 H new ATOM 0 HB3 CYS A 119 64.418 36.623 51.351 1.00 0.00 H new ATOM 0 HG CYS A 119 65.561 38.124 49.229 1.00 0.00 H new ATOM 1806 N ILE A 120 61.363 36.161 48.849 1.00 0.00 N ATOM 1807 CA ILE A 120 60.768 35.300 47.828 1.00 0.00 C ATOM 1808 C ILE A 120 60.762 36.048 46.478 1.00 0.00 C ATOM 1809 O ILE A 120 61.004 37.252 46.439 1.00 0.00 O ATOM 1810 CB ILE A 120 59.365 34.872 48.319 1.00 0.00 C ATOM 1811 CG1 ILE A 120 58.808 33.704 47.493 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.386 36.056 48.395 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.653 32.945 48.154 1.00 0.00 C ATOM 0 H ILE A 120 61.188 37.151 48.680 1.00 0.00 H new ATOM 0 HA ILE A 120 61.344 34.389 47.667 1.00 0.00 H new ATOM 0 HB ILE A 120 59.482 34.510 49.340 1.00 0.00 H new ATOM 0 HG12 ILE A 120 58.469 34.087 46.530 1.00 0.00 H new ATOM 0 HG13 ILE A 120 59.617 33.002 47.290 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.416 35.704 48.745 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.772 36.803 49.088 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.276 36.501 47.406 1.00 0.00 H new ATOM 0 HD11 ILE A 120 57.325 32.139 47.498 1.00 0.00 H new ATOM 0 HD12 ILE A 120 57.988 32.527 49.103 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.823 33.629 48.332 1.00 0.00 H new ATOM 1825 N ASN A 121 60.513 35.375 45.352 1.00 0.00 N ATOM 1826 CA ASN A 121 60.493 36.011 44.026 1.00 0.00 C ATOM 1827 C ASN A 121 59.255 35.656 43.183 1.00 0.00 C ATOM 1828 O ASN A 121 58.897 34.489 43.053 1.00 0.00 O ATOM 1829 CB ASN A 121 61.817 35.722 43.300 1.00 0.00 C ATOM 1830 CG ASN A 121 62.185 34.252 43.155 1.00 0.00 C ATOM 1831 OD1 ASN A 121 63.166 33.788 43.708 1.00 0.00 O ATOM 1832 ND2 ASN A 121 61.444 33.478 42.403 1.00 0.00 N ATOM 0 H ASN A 121 60.319 34.374 45.330 1.00 0.00 H new ATOM 0 HA ASN A 121 60.404 37.087 44.176 1.00 0.00 H new ATOM 0 HB2 ASN A 121 61.768 36.165 42.305 1.00 0.00 H new ATOM 0 HB3 ASN A 121 62.621 36.227 43.835 1.00 0.00 H new ATOM 0 HD21 ASN A 121 61.690 32.495 42.284 1.00 0.00 H new ATOM 0 HD22 ASN A 121 60.621 33.858 41.936 1.00 0.00 H new ATOM 1839 N SER A 122 58.637 36.659 42.554 1.00 0.00 N ATOM 1840 CA SER A 122 57.358 36.526 41.837 1.00 0.00 C ATOM 1841 C SER A 122 57.456 35.953 40.419 1.00 0.00 C ATOM 1842 O SER A 122 56.534 35.261 40.008 1.00 0.00 O ATOM 1843 CB SER A 122 56.668 37.894 41.776 1.00 0.00 C ATOM 1844 OG SER A 122 57.586 38.863 41.300 1.00 0.00 O ATOM 0 H SER A 122 59.016 37.606 42.526 1.00 0.00 H new ATOM 0 HA SER A 122 56.781 35.799 42.408 1.00 0.00 H new ATOM 0 HB2 SER A 122 55.799 37.847 41.119 1.00 0.00 H new ATOM 0 HB3 SER A 122 56.305 38.175 42.765 1.00 0.00 H new ATOM 0 HG SER A 122 57.146 39.738 41.259 1.00 0.00 H new ATOM 1850 N VAL A 123 58.541 36.208 39.673 1.00 0.00 N ATOM 1851 CA VAL A 123 58.630 35.909 38.221 1.00 0.00 C ATOM 1852 C VAL A 123 58.385 34.441 37.855 1.00 0.00 C ATOM 1853 O VAL A 123 57.808 34.146 36.815 1.00 0.00 O ATOM 1854 CB VAL A 123 59.982 36.389 37.657 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.192 35.583 38.150 1.00 0.00 C ATOM 1856 CG2 VAL A 123 60.000 36.403 36.125 1.00 0.00 C ATOM 0 H VAL A 123 59.389 36.629 40.053 1.00 0.00 H new ATOM 0 HA VAL A 123 57.813 36.462 37.757 1.00 0.00 H new ATOM 0 HB VAL A 123 60.077 37.405 38.041 1.00 0.00 H new ATOM 0 HG11 VAL A 123 62.103 35.985 37.706 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.257 35.651 39.236 1.00 0.00 H new ATOM 0 HG13 VAL A 123 61.077 34.539 37.858 1.00 0.00 H new ATOM 0 HG21 VAL A 123 60.973 36.748 35.776 1.00 0.00 H new ATOM 0 HG22 VAL A 123 59.816 35.396 35.750 1.00 0.00 H new ATOM 0 HG23 VAL A 123 59.224 37.074 35.758 1.00 0.00 H new ATOM 1866 N ALA A 124 58.792 33.521 38.731 1.00 0.00 N ATOM 1867 CA ALA A 124 58.626 32.076 38.536 1.00 0.00 C ATOM 1868 C ALA A 124 57.197 31.543 38.791 1.00 0.00 C ATOM 1869 O ALA A 124 56.963 30.337 38.705 1.00 0.00 O ATOM 1870 CB ALA A 124 59.692 31.351 39.371 1.00 0.00 C ATOM 0 H ALA A 124 59.253 33.760 39.609 1.00 0.00 H new ATOM 0 HA ALA A 124 58.773 31.865 37.477 1.00 0.00 H new ATOM 0 HB1 ALA A 124 59.586 30.274 39.240 1.00 0.00 H new ATOM 0 HB2 ALA A 124 60.684 31.661 39.043 1.00 0.00 H new ATOM 0 HB3 ALA A 124 59.563 31.603 40.424 1.00 0.00 H new ATOM 1876 N LEU A 125 56.259 32.435 39.105 1.00 0.00 N ATOM 1877 CA LEU A 125 54.861 32.186 39.457 1.00 0.00 C ATOM 1878 C LEU A 125 53.942 33.181 38.712 1.00 0.00 C ATOM 1879 O LEU A 125 54.412 34.134 38.090 1.00 0.00 O ATOM 1880 CB LEU A 125 54.700 32.346 40.983 1.00 0.00 C ATOM 1881 CG LEU A 125 55.621 31.494 41.881 1.00 0.00 C ATOM 1882 CD1 LEU A 125 55.434 31.906 43.343 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.327 30.000 41.774 1.00 0.00 C ATOM 0 H LEU A 125 56.474 33.432 39.121 1.00 0.00 H new ATOM 0 HA LEU A 125 54.578 31.175 39.163 1.00 0.00 H new ATOM 0 HB2 LEU A 125 54.861 33.395 41.232 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.667 32.113 41.240 1.00 0.00 H new ATOM 0 HG LEU A 125 56.642 31.670 41.542 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.085 31.304 43.977 1.00 0.00 H new ATOM 0 HD12 LEU A 125 55.688 32.960 43.459 1.00 0.00 H new ATOM 0 HD13 LEU A 125 54.396 31.748 43.635 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.004 29.448 42.426 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.297 29.809 42.075 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.470 29.674 40.744 1.00 0.00 H new ATOM 1895 N LYS A 126 52.621 32.994 38.787 1.00 0.00 N ATOM 1896 CA LYS A 126 51.611 33.976 38.339 1.00 0.00 C ATOM 1897 C LYS A 126 50.849 34.614 39.505 1.00 0.00 C ATOM 1898 O LYS A 126 50.846 34.108 40.625 1.00 0.00 O ATOM 1899 CB LYS A 126 50.698 33.345 37.296 1.00 0.00 C ATOM 1900 CG LYS A 126 51.438 33.158 35.963 1.00 0.00 C ATOM 1901 CD LYS A 126 51.804 34.441 35.189 1.00 0.00 C ATOM 1902 CE LYS A 126 53.233 34.955 35.423 1.00 0.00 C ATOM 1903 NZ LYS A 126 53.558 36.125 34.569 1.00 0.00 N ATOM 0 H LYS A 126 52.209 32.142 39.167 1.00 0.00 H new ATOM 0 HA LYS A 126 52.130 34.808 37.863 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.339 32.381 37.656 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.821 33.975 37.145 1.00 0.00 H new ATOM 0 HG2 LYS A 126 52.356 32.605 36.158 1.00 0.00 H new ATOM 0 HG3 LYS A 126 50.821 32.534 35.316 1.00 0.00 H new ATOM 0 HD2 LYS A 126 51.671 34.255 34.123 1.00 0.00 H new ATOM 0 HD3 LYS A 126 51.101 35.227 35.466 1.00 0.00 H new ATOM 0 HE2 LYS A 126 53.351 35.229 36.471 1.00 0.00 H new ATOM 0 HE3 LYS A 126 53.943 34.153 35.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 54.531 36.436 34.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 53.472 35.858 33.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 52.899 36.901 34.778 1.00 0.00 H new ATOM 1917 N PHE A 127 50.245 35.775 39.263 1.00 0.00 N ATOM 1918 CA PHE A 127 49.573 36.561 40.298 1.00 0.00 C ATOM 1919 C PHE A 127 48.378 37.362 39.774 1.00 0.00 C ATOM 1920 O PHE A 127 48.316 37.713 38.596 1.00 0.00 O ATOM 1921 CB PHE A 127 50.605 37.448 41.005 1.00 0.00 C ATOM 1922 CG PHE A 127 51.596 38.178 40.116 1.00 0.00 C ATOM 1923 CD1 PHE A 127 51.288 39.453 39.606 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.833 37.579 39.799 1.00 0.00 C ATOM 1925 CE1 PHE A 127 52.212 40.123 38.784 1.00 0.00 C ATOM 1926 CE2 PHE A 127 53.752 38.247 38.971 1.00 0.00 C ATOM 1927 CZ PHE A 127 53.443 39.522 38.468 1.00 0.00 C ATOM 0 H PHE A 127 50.207 36.201 38.337 1.00 0.00 H new ATOM 0 HA PHE A 127 49.141 35.868 41.020 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.069 38.189 41.598 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.166 36.827 41.703 1.00 0.00 H new ATOM 0 HD1 PHE A 127 50.343 39.917 39.846 1.00 0.00 H new ATOM 0 HD2 PHE A 127 53.075 36.603 40.194 1.00 0.00 H new ATOM 0 HE1 PHE A 127 51.975 41.102 38.394 1.00 0.00 H new ATOM 0 HE2 PHE A 127 54.694 37.781 38.722 1.00 0.00 H new ATOM 0 HZ PHE A 127 54.151 40.040 37.839 1.00 0.00 H new ATOM 1937 N LYS A 128 47.418 37.631 40.663 1.00 0.00 N ATOM 1938 CA LYS A 128 46.132 38.282 40.370 1.00 0.00 C ATOM 1939 C LYS A 128 45.662 39.157 41.546 1.00 0.00 C ATOM 1940 O LYS A 128 45.918 38.793 42.699 1.00 0.00 O ATOM 1941 CB LYS A 128 45.090 37.208 39.986 1.00 0.00 C ATOM 1942 CG LYS A 128 44.899 36.108 41.048 1.00 0.00 C ATOM 1943 CD LYS A 128 43.942 34.992 40.610 1.00 0.00 C ATOM 1944 CE LYS A 128 42.475 35.417 40.732 1.00 0.00 C ATOM 1945 NZ LYS A 128 41.580 34.371 40.193 1.00 0.00 N ATOM 0 H LYS A 128 47.517 37.392 41.650 1.00 0.00 H new ATOM 0 HA LYS A 128 46.257 38.957 39.523 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.132 37.695 39.807 1.00 0.00 H new ATOM 0 HB3 LYS A 128 45.392 36.743 39.047 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.869 35.671 41.285 1.00 0.00 H new ATOM 0 HG3 LYS A 128 44.521 36.561 41.964 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.155 34.715 39.577 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.115 34.105 41.220 1.00 0.00 H new ATOM 0 HE2 LYS A 128 42.232 35.607 41.778 1.00 0.00 H new ATOM 0 HE3 LYS A 128 42.316 36.351 40.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 40.591 34.679 40.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 41.800 34.209 39.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 41.719 33.488 40.725 1.00 0.00 H new ATOM 1959 N PRO A 129 44.982 40.292 41.300 1.00 0.00 N ATOM 1960 CA PRO A 129 44.408 41.113 42.363 1.00 0.00 C ATOM 1961 C PRO A 129 43.143 40.480 42.962 1.00 0.00 C ATOM 1962 O PRO A 129 42.642 39.467 42.472 1.00 0.00 O ATOM 1963 CB PRO A 129 44.108 42.462 41.701 1.00 0.00 C ATOM 1964 CG PRO A 129 43.758 42.064 40.268 1.00 0.00 C ATOM 1965 CD PRO A 129 44.692 40.882 39.998 1.00 0.00 C ATOM 0 HA PRO A 129 45.093 41.216 43.205 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.282 42.978 42.191 1.00 0.00 H new ATOM 0 HB3 PRO A 129 44.968 43.131 41.737 1.00 0.00 H new ATOM 0 HG2 PRO A 129 42.710 41.780 40.173 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.931 42.882 39.569 1.00 0.00 H new ATOM 0 HD2 PRO A 129 44.220 40.155 39.337 1.00 0.00 H new ATOM 0 HD3 PRO A 129 45.607 41.212 39.507 1.00 0.00 H new ATOM 1973 N SER A 130 42.629 41.093 44.030 1.00 0.00 N ATOM 1974 CA SER A 130 41.340 40.737 44.650 1.00 0.00 C ATOM 1975 C SER A 130 40.232 41.694 44.214 1.00 0.00 C ATOM 1976 O SER A 130 39.169 41.292 43.745 1.00 0.00 O ATOM 1977 CB SER A 130 41.480 40.814 46.170 1.00 0.00 C ATOM 1978 OG SER A 130 40.590 39.961 46.852 1.00 0.00 O ATOM 0 H SER A 130 43.101 41.865 44.501 1.00 0.00 H new ATOM 0 HA SER A 130 41.076 39.728 44.333 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.503 40.559 46.448 1.00 0.00 H new ATOM 0 HB3 SER A 130 41.309 41.841 46.493 1.00 0.00 H new ATOM 0 HG SER A 130 40.726 40.051 47.818 1.00 0.00 H new ATOM 1984 N LYS A 131 40.483 42.987 44.429 1.00 0.00 N ATOM 1985 CA LYS A 131 39.557 44.100 44.222 1.00 0.00 C ATOM 1986 C LYS A 131 38.884 44.125 42.832 1.00 0.00 C ATOM 1987 O LYS A 131 39.546 43.864 41.827 1.00 0.00 O ATOM 1988 CB LYS A 131 40.359 45.386 44.459 1.00 0.00 C ATOM 1989 CG LYS A 131 41.043 45.453 45.837 1.00 0.00 C ATOM 1990 CD LYS A 131 40.074 45.294 47.012 1.00 0.00 C ATOM 1991 CE LYS A 131 39.830 43.873 47.535 1.00 0.00 C ATOM 1992 NZ LYS A 131 38.834 43.881 48.630 1.00 0.00 N ATOM 0 H LYS A 131 41.390 43.302 44.772 1.00 0.00 H new ATOM 0 HA LYS A 131 38.726 43.992 44.919 1.00 0.00 H new ATOM 0 HB2 LYS A 131 41.119 45.476 43.683 1.00 0.00 H new ATOM 0 HB3 LYS A 131 39.693 46.242 44.354 1.00 0.00 H new ATOM 0 HG2 LYS A 131 41.802 44.673 45.895 1.00 0.00 H new ATOM 0 HG3 LYS A 131 41.560 46.408 45.930 1.00 0.00 H new ATOM 0 HD2 LYS A 131 40.445 45.899 47.839 1.00 0.00 H new ATOM 0 HD3 LYS A 131 39.113 45.714 46.716 1.00 0.00 H new ATOM 0 HE2 LYS A 131 39.479 43.237 46.723 1.00 0.00 H new ATOM 0 HE3 LYS A 131 40.767 43.446 47.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 38.684 42.910 48.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 39.183 44.471 49.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 37.935 44.268 48.279 1.00 0.00 H new