USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 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 Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 51 LYS NZ :NH3+ -121:sc= 0.713 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -140:sc= -1.35! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -150:sc= -2.28! USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.149) USER MOD Single : A 80 ASN : amide:sc= -0.614 K(o=-0.61,f=-1.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.855 X(o=-0.85,f=-1) USER MOD Single : A 92 CYS SG : rot 11:sc= -0.629 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-4!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 8.947 -5.866 6.781 1.00 0.00 N ATOM 522 CA LEU A 39 8.784 -4.585 7.461 1.00 0.00 C ATOM 523 C LEU A 39 8.112 -4.770 8.818 1.00 0.00 C ATOM 524 O LEU A 39 7.469 -5.790 9.069 1.00 0.00 O ATOM 525 CB LEU A 39 7.959 -3.628 6.598 1.00 0.00 C ATOM 526 CG LEU A 39 8.394 -3.540 5.134 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.501 -2.575 4.369 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.851 -3.113 5.037 1.00 0.00 C ATOM 0 HA LEU A 39 9.774 -4.159 7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.915 -3.939 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.009 -2.632 7.037 1.00 0.00 H new ATOM 0 HG LEU A 39 8.295 -4.528 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.825 -2.525 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.469 -2.923 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.568 -1.584 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.144 -3.055 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.975 -2.135 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.479 -3.842 5.550 1.00 0.00 H new ATOM 540 N LYS A 40 8.264 -3.777 9.687 1.00 0.00 N ATOM 541 CA LYS A 40 7.672 -3.829 11.019 1.00 0.00 C ATOM 542 C LYS A 40 6.509 -2.848 11.135 1.00 0.00 C ATOM 543 O LYS A 40 6.335 -1.973 10.287 1.00 0.00 O ATOM 544 CB LYS A 40 8.727 -3.514 12.081 1.00 0.00 C ATOM 545 CG LYS A 40 8.555 -4.309 13.365 1.00 0.00 C ATOM 546 CD LYS A 40 9.662 -4.005 14.362 1.00 0.00 C ATOM 547 CE LYS A 40 9.164 -4.097 15.796 1.00 0.00 C ATOM 548 NZ LYS A 40 9.511 -2.881 16.582 1.00 0.00 N ATOM 0 H LYS A 40 8.792 -2.926 9.493 1.00 0.00 H new ATOM 0 HA LYS A 40 7.292 -4.837 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.716 -3.715 11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.689 -2.450 12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.588 -4.076 13.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.552 -5.375 13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.486 -4.704 14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.056 -3.006 14.176 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.083 -4.234 15.797 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.597 -4.975 16.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.154 -2.982 17.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.544 -2.764 16.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.077 -2.046 16.139 1.00 0.00 H new ATOM 562 N ILE A 41 5.716 -3.001 12.190 1.00 0.00 N ATOM 563 CA ILE A 41 4.569 -2.127 12.415 1.00 0.00 C ATOM 564 C ILE A 41 5.019 -0.720 12.794 1.00 0.00 C ATOM 565 O ILE A 41 5.994 -0.543 13.522 1.00 0.00 O ATOM 566 CB ILE A 41 3.653 -2.678 13.525 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.306 -4.144 13.252 1.00 0.00 C ATOM 568 CG2 ILE A 41 2.386 -1.842 13.633 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.500 -4.349 11.989 1.00 0.00 C ATOM 0 H ILE A 41 5.845 -3.720 12.902 1.00 0.00 H new ATOM 0 HA ILE A 41 4.010 -2.088 11.480 1.00 0.00 H new ATOM 0 HB ILE A 41 4.186 -2.620 14.474 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.229 -4.720 13.182 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.746 -4.540 14.099 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.750 -2.245 14.422 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.649 -0.811 13.870 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.849 -1.870 12.685 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.291 -5.411 11.859 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.561 -3.801 12.064 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.067 -3.984 11.133 1.00 0.00 H new ATOM 581 N GLY A 42 4.299 0.280 12.293 1.00 0.00 N ATOM 582 CA GLY A 42 4.638 1.659 12.590 1.00 0.00 C ATOM 583 C GLY A 42 5.953 2.079 11.965 1.00 0.00 C ATOM 584 O GLY A 42 6.863 2.531 12.660 1.00 0.00 O ATOM 0 H GLY A 42 3.487 0.159 11.687 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.843 2.311 12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.694 1.792 13.670 1.00 0.00 H new ATOM 588 N ASP A 43 6.054 1.933 10.648 1.00 0.00 N ATOM 589 CA ASP A 43 7.268 2.301 9.929 1.00 0.00 C ATOM 590 C ASP A 43 6.933 2.981 8.605 1.00 0.00 C ATOM 591 O ASP A 43 6.201 2.432 7.781 1.00 0.00 O ATOM 592 CB ASP A 43 8.132 1.064 9.676 1.00 0.00 C ATOM 593 CG ASP A 43 9.595 1.408 9.482 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.105 2.273 10.227 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.231 0.815 8.587 1.00 0.00 O ATOM 0 H ASP A 43 5.310 1.562 10.057 1.00 0.00 H new ATOM 0 HA ASP A 43 7.826 3.005 10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.032 0.377 10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.764 0.543 8.792 1.00 0.00 H new ATOM 600 N ARG A 44 7.476 4.178 8.407 1.00 0.00 N ATOM 601 CA ARG A 44 7.235 4.933 7.183 1.00 0.00 C ATOM 602 C ARG A 44 7.879 4.245 5.984 1.00 0.00 C ATOM 603 O ARG A 44 9.034 3.823 6.044 1.00 0.00 O ATOM 604 CB ARG A 44 7.780 6.355 7.321 1.00 0.00 C ATOM 605 CG ARG A 44 7.119 7.155 8.434 1.00 0.00 C ATOM 606 CD ARG A 44 6.178 8.213 7.879 1.00 0.00 C ATOM 607 NE ARG A 44 5.072 8.494 8.791 1.00 0.00 N ATOM 608 CZ ARG A 44 4.325 9.594 8.732 1.00 0.00 C ATOM 609 NH1 ARG A 44 4.561 10.518 7.808 1.00 0.00 N ATOM 610 NH2 ARG A 44 3.337 9.772 9.600 1.00 0.00 N ATOM 0 H ARG A 44 8.085 4.646 9.078 1.00 0.00 H new ATOM 0 HA ARG A 44 6.158 4.977 7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.853 6.308 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.643 6.881 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.565 6.481 9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.885 7.633 9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.735 9.131 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.781 7.879 6.920 1.00 0.00 H new ATOM 0 HE ARG A 44 4.860 7.807 9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.319 10.387 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.985 11.359 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.150 9.066 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.764 10.615 9.555 1.00 0.00 H new ATOM 624 N VAL A 45 7.125 4.133 4.895 1.00 0.00 N ATOM 625 CA VAL A 45 7.624 3.495 3.683 1.00 0.00 C ATOM 626 C VAL A 45 7.105 4.200 2.435 1.00 0.00 C ATOM 627 O VAL A 45 6.066 4.858 2.468 1.00 0.00 O ATOM 628 CB VAL A 45 7.222 2.009 3.624 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.998 1.202 4.655 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.723 1.854 3.830 1.00 0.00 C ATOM 0 H VAL A 45 6.167 4.476 4.827 1.00 0.00 H new ATOM 0 HA VAL A 45 8.711 3.569 3.712 1.00 0.00 H new ATOM 0 HB VAL A 45 7.471 1.623 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.700 0.155 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.066 1.287 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.785 1.586 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.457 0.798 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.446 2.257 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.190 2.396 3.048 1.00 0.00 H new ATOM 640 N LEU A 46 7.837 4.057 1.334 1.00 0.00 N ATOM 641 CA LEU A 46 7.453 4.679 0.073 1.00 0.00 C ATOM 642 C LEU A 46 7.236 3.626 -1.009 1.00 0.00 C ATOM 643 O LEU A 46 8.020 2.686 -1.140 1.00 0.00 O ATOM 644 CB LEU A 46 8.525 5.674 -0.376 1.00 0.00 C ATOM 645 CG LEU A 46 8.188 6.461 -1.644 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.858 7.182 -1.486 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.298 7.451 -1.966 1.00 0.00 C ATOM 0 H LEU A 46 8.700 3.515 1.291 1.00 0.00 H new ATOM 0 HA LEU A 46 6.515 5.212 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.706 6.380 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.456 5.132 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 46 8.101 5.759 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.634 7.737 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.069 6.453 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.917 7.874 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.042 8.003 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.415 8.149 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.233 6.912 -2.122 1.00 0.00 H new ATOM 659 N VAL A 47 6.167 3.788 -1.782 1.00 0.00 N ATOM 660 CA VAL A 47 5.848 2.851 -2.852 1.00 0.00 C ATOM 661 C VAL A 47 5.620 3.578 -4.172 1.00 0.00 C ATOM 662 O VAL A 47 4.609 4.258 -4.351 1.00 0.00 O ATOM 663 CB VAL A 47 4.596 2.018 -2.516 1.00 0.00 C ATOM 664 CG1 VAL A 47 4.891 1.038 -1.391 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.433 2.928 -2.150 1.00 0.00 C ATOM 0 H VAL A 47 5.507 4.560 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 47 6.704 2.184 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 47 4.315 1.445 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.995 0.459 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.692 0.364 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.198 1.587 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.557 2.323 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.701 3.530 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.206 3.584 -2.990 1.00 0.00 H new ATOM 675 N GLY A 48 6.566 3.431 -5.095 1.00 0.00 N ATOM 676 CA GLY A 48 6.448 4.080 -6.387 1.00 0.00 C ATOM 677 C GLY A 48 7.171 5.412 -6.438 1.00 0.00 C ATOM 678 O GLY A 48 7.595 5.855 -7.505 1.00 0.00 O ATOM 0 H GLY A 48 7.411 2.874 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.850 3.423 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.394 4.234 -6.617 1.00 0.00 H new ATOM 682 N GLY A 49 7.311 6.054 -5.281 1.00 0.00 N ATOM 683 CA GLY A 49 7.986 7.337 -5.222 1.00 0.00 C ATOM 684 C GLY A 49 7.017 8.493 -5.075 1.00 0.00 C ATOM 685 O GLY A 49 7.294 9.605 -5.526 1.00 0.00 O ATOM 0 H GLY A 49 6.969 5.708 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.681 7.340 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.578 7.475 -6.127 1.00 0.00 H new ATOM 689 N THR A 50 5.878 8.231 -4.442 1.00 0.00 N ATOM 690 CA THR A 50 4.864 9.258 -4.236 1.00 0.00 C ATOM 691 C THR A 50 3.986 8.924 -3.035 1.00 0.00 C ATOM 692 O THR A 50 3.714 9.782 -2.195 1.00 0.00 O ATOM 693 CB THR A 50 3.999 9.408 -5.489 1.00 0.00 C ATOM 694 OG1 THR A 50 4.693 8.949 -6.635 1.00 0.00 O ATOM 695 CG2 THR A 50 3.571 10.836 -5.753 1.00 0.00 C ATOM 0 H THR A 50 5.634 7.316 -4.063 1.00 0.00 H new ATOM 0 HA THR A 50 5.373 10.201 -4.039 1.00 0.00 H new ATOM 0 HB THR A 50 3.109 8.808 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.123 9.052 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.961 10.872 -6.655 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.990 11.204 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.454 11.462 -5.887 1.00 0.00 H new ATOM 703 N LYS A 51 3.545 7.672 -2.961 1.00 0.00 N ATOM 704 CA LYS A 51 2.697 7.225 -1.862 1.00 0.00 C ATOM 705 C LYS A 51 3.537 6.815 -0.657 1.00 0.00 C ATOM 706 O LYS A 51 4.314 5.861 -0.723 1.00 0.00 O ATOM 707 CB LYS A 51 1.823 6.051 -2.310 1.00 0.00 C ATOM 708 CG LYS A 51 0.593 6.475 -3.096 1.00 0.00 C ATOM 709 CD LYS A 51 -0.555 5.497 -2.906 1.00 0.00 C ATOM 710 CE LYS A 51 -0.692 4.560 -4.096 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.116 4.234 -4.386 1.00 0.00 N ATOM 0 H LYS A 51 3.761 6.950 -3.648 1.00 0.00 H new ATOM 0 HA LYS A 51 2.057 8.057 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.421 5.376 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.507 5.488 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.281 7.470 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.842 6.543 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.391 4.914 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.485 6.048 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.239 5.020 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.142 3.640 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.256 3.205 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.729 4.709 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.359 4.559 -5.344 1.00 0.00 H new ATOM 725 N ALA A 52 3.376 7.540 0.445 1.00 0.00 N ATOM 726 CA ALA A 52 4.119 7.252 1.666 1.00 0.00 C ATOM 727 C ALA A 52 3.177 7.072 2.851 1.00 0.00 C ATOM 728 O ALA A 52 2.452 7.993 3.227 1.00 0.00 O ATOM 729 CB ALA A 52 5.120 8.363 1.949 1.00 0.00 C ATOM 0 H ALA A 52 2.737 8.332 0.517 1.00 0.00 H new ATOM 0 HA ALA A 52 4.661 6.318 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.668 8.135 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.820 8.443 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.590 9.308 2.069 1.00 0.00 H new ATOM 735 N GLY A 53 3.192 5.879 3.437 1.00 0.00 N ATOM 736 CA GLY A 53 2.334 5.599 4.573 1.00 0.00 C ATOM 737 C GLY A 53 3.076 4.916 5.706 1.00 0.00 C ATOM 738 O GLY A 53 4.304 4.971 5.774 1.00 0.00 O ATOM 0 H GLY A 53 3.783 5.101 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.901 6.531 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.506 4.967 4.252 1.00 0.00 H new ATOM 742 N VAL A 54 2.330 4.272 6.597 1.00 0.00 N ATOM 743 CA VAL A 54 2.924 3.575 7.732 1.00 0.00 C ATOM 744 C VAL A 54 2.376 2.158 7.854 1.00 0.00 C ATOM 745 O VAL A 54 1.194 1.915 7.611 1.00 0.00 O ATOM 746 CB VAL A 54 2.667 4.329 9.050 1.00 0.00 C ATOM 747 CG1 VAL A 54 3.458 3.701 10.187 1.00 0.00 C ATOM 748 CG2 VAL A 54 3.014 5.802 8.899 1.00 0.00 C ATOM 0 H VAL A 54 1.312 4.218 6.555 1.00 0.00 H new ATOM 0 HA VAL A 54 3.998 3.531 7.551 1.00 0.00 H new ATOM 0 HB VAL A 54 1.607 4.253 9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.264 4.247 11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.155 2.661 10.310 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.523 3.744 9.957 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.826 6.318 9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.066 5.903 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.399 6.242 8.114 1.00 0.00 H new ATOM 758 N VAL A 55 3.243 1.225 8.233 1.00 0.00 N ATOM 759 CA VAL A 55 2.846 -0.169 8.388 1.00 0.00 C ATOM 760 C VAL A 55 1.848 -0.333 9.531 1.00 0.00 C ATOM 761 O VAL A 55 2.214 -0.246 10.703 1.00 0.00 O ATOM 762 CB VAL A 55 4.064 -1.076 8.651 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.652 -2.541 8.652 1.00 0.00 C ATOM 764 CG2 VAL A 55 5.152 -0.824 7.616 1.00 0.00 C ATOM 0 H VAL A 55 4.225 1.409 8.438 1.00 0.00 H new ATOM 0 HA VAL A 55 2.375 -0.469 7.452 1.00 0.00 H new ATOM 0 HB VAL A 55 4.465 -0.834 9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.526 -3.165 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.911 -2.710 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.223 -2.799 7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.004 -1.473 7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.763 -1.035 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.469 0.217 7.668 1.00 0.00 H new ATOM 774 N ARG A 56 0.589 -0.570 9.181 1.00 0.00 N ATOM 775 CA ARG A 56 -0.461 -0.746 10.177 1.00 0.00 C ATOM 776 C ARG A 56 -0.719 -2.226 10.441 1.00 0.00 C ATOM 777 O ARG A 56 -0.731 -2.670 11.589 1.00 0.00 O ATOM 778 CB ARG A 56 -1.752 -0.068 9.714 1.00 0.00 C ATOM 779 CG ARG A 56 -1.660 1.448 9.664 1.00 0.00 C ATOM 780 CD ARG A 56 -1.995 2.073 11.011 1.00 0.00 C ATOM 781 NE ARG A 56 -1.007 3.070 11.413 1.00 0.00 N ATOM 782 CZ ARG A 56 -0.861 3.509 12.661 1.00 0.00 C ATOM 783 NH1 ARG A 56 -1.638 3.042 13.631 1.00 0.00 N ATOM 784 NH2 ARG A 56 0.063 4.417 12.940 1.00 0.00 N ATOM 0 H ARG A 56 0.271 -0.645 8.215 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.127 -0.282 11.105 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.013 -0.440 8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.563 -0.352 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.654 1.743 9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.343 1.830 8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.979 2.538 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.051 1.292 11.769 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.392 3.453 10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.351 2.343 13.422 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.522 3.382 14.586 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.662 4.779 12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.175 4.754 13.896 1.00 0.00 H new ATOM 798 N PHE A 57 -0.926 -2.985 9.369 1.00 0.00 N ATOM 799 CA PHE A 57 -1.186 -4.415 9.483 1.00 0.00 C ATOM 800 C PHE A 57 -0.107 -5.223 8.767 1.00 0.00 C ATOM 801 O PHE A 57 0.629 -4.694 7.935 1.00 0.00 O ATOM 802 CB PHE A 57 -2.561 -4.751 8.902 1.00 0.00 C ATOM 803 CG PHE A 57 -2.942 -6.196 9.053 1.00 0.00 C ATOM 804 CD1 PHE A 57 -3.423 -6.677 10.260 1.00 0.00 C ATOM 805 CD2 PHE A 57 -2.820 -7.073 7.987 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.776 -8.005 10.402 1.00 0.00 C ATOM 807 CE2 PHE A 57 -3.171 -8.403 8.122 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.649 -8.870 9.330 1.00 0.00 C ATOM 0 H PHE A 57 -0.919 -2.633 8.412 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.171 -4.679 10.540 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.314 -4.133 9.391 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.573 -4.490 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.523 -6.006 11.100 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.446 -6.713 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.150 -8.367 11.348 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.071 -9.076 7.283 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.923 -9.909 9.438 1.00 0.00 H new ATOM 818 N LEU A 58 -0.020 -6.507 9.097 1.00 0.00 N ATOM 819 CA LEU A 58 0.967 -7.388 8.485 1.00 0.00 C ATOM 820 C LEU A 58 0.514 -8.844 8.550 1.00 0.00 C ATOM 821 O LEU A 58 0.437 -9.433 9.628 1.00 0.00 O ATOM 822 CB LEU A 58 2.322 -7.233 9.179 1.00 0.00 C ATOM 823 CG LEU A 58 3.449 -8.085 8.594 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.656 -7.758 7.123 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.738 -7.871 9.375 1.00 0.00 C ATOM 0 H LEU A 58 -0.621 -6.961 9.785 1.00 0.00 H new ATOM 0 HA LEU A 58 1.068 -7.104 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.618 -6.185 9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.205 -7.486 10.233 1.00 0.00 H new ATOM 0 HG LEU A 58 3.166 -9.134 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.462 -8.374 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.737 -7.960 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.917 -6.705 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.530 -8.485 8.946 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.025 -6.821 9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.584 -8.154 10.416 1.00 0.00 H new ATOM 837 N GLY A 59 0.214 -9.417 7.389 1.00 0.00 N ATOM 838 CA GLY A 59 -0.228 -10.798 7.337 1.00 0.00 C ATOM 839 C GLY A 59 -0.406 -11.297 5.917 1.00 0.00 C ATOM 840 O GLY A 59 0.286 -10.847 5.003 1.00 0.00 O ATOM 0 H GLY A 59 0.269 -8.950 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.497 -11.428 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.172 -10.895 7.874 1.00 0.00 H new ATOM 844 N GLU A 60 -1.334 -12.229 5.732 1.00 0.00 N ATOM 845 CA GLU A 60 -1.601 -12.790 4.412 1.00 0.00 C ATOM 846 C GLU A 60 -2.878 -12.203 3.820 1.00 0.00 C ATOM 847 O GLU A 60 -3.936 -12.232 4.447 1.00 0.00 O ATOM 848 CB GLU A 60 -1.718 -14.313 4.496 1.00 0.00 C ATOM 849 CG GLU A 60 -0.377 -15.021 4.605 1.00 0.00 C ATOM 850 CD GLU A 60 -0.298 -16.259 3.731 1.00 0.00 C ATOM 851 OE1 GLU A 60 -0.080 -16.111 2.511 1.00 0.00 O ATOM 852 OE2 GLU A 60 -0.456 -17.375 4.269 1.00 0.00 O ATOM 0 H GLU A 60 -1.914 -12.612 6.479 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.767 -12.532 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.329 -14.575 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.242 -14.678 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.418 -14.331 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.202 -15.302 5.643 1.00 0.00 H new ATOM 859 N THR A 61 -2.770 -11.668 2.607 1.00 0.00 N ATOM 860 CA THR A 61 -3.916 -11.073 1.930 1.00 0.00 C ATOM 861 C THR A 61 -4.866 -12.151 1.418 1.00 0.00 C ATOM 862 O THR A 61 -4.606 -13.345 1.569 1.00 0.00 O ATOM 863 CB THR A 61 -3.448 -10.196 0.767 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.253 -10.708 0.203 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.188 -8.760 1.167 1.00 0.00 C ATOM 0 H THR A 61 -1.901 -11.635 2.074 1.00 0.00 H new ATOM 0 HA THR A 61 -4.451 -10.455 2.651 1.00 0.00 H new ATOM 0 HB THR A 61 -4.265 -10.213 0.045 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.651 -9.966 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.859 -8.193 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.104 -8.320 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.413 -8.730 1.933 1.00 0.00 H new ATOM 873 N ASP A 62 -5.971 -11.722 0.815 1.00 0.00 N ATOM 874 CA ASP A 62 -6.960 -12.651 0.281 1.00 0.00 C ATOM 875 C ASP A 62 -7.035 -12.552 -1.240 1.00 0.00 C ATOM 876 O ASP A 62 -7.200 -13.559 -1.930 1.00 0.00 O ATOM 877 CB ASP A 62 -8.335 -12.370 0.891 1.00 0.00 C ATOM 878 CG ASP A 62 -9.053 -13.638 1.307 1.00 0.00 C ATOM 879 OD1 ASP A 62 -8.384 -14.557 1.826 1.00 0.00 O ATOM 880 OD2 ASP A 62 -10.284 -13.715 1.113 1.00 0.00 O ATOM 0 H ASP A 62 -6.203 -10.737 0.684 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.652 -13.663 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.219 -11.720 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.947 -11.830 0.168 1.00 0.00 H new ATOM 885 N PHE A 63 -6.911 -11.334 -1.755 1.00 0.00 N ATOM 886 CA PHE A 63 -6.964 -11.105 -3.194 1.00 0.00 C ATOM 887 C PHE A 63 -5.644 -11.487 -3.855 1.00 0.00 C ATOM 888 O PHE A 63 -5.617 -11.926 -5.004 1.00 0.00 O ATOM 889 CB PHE A 63 -7.289 -9.638 -3.486 1.00 0.00 C ATOM 890 CG PHE A 63 -6.302 -8.675 -2.890 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.160 -8.313 -3.588 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.515 -8.134 -1.632 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.251 -7.428 -3.042 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.608 -7.247 -1.082 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.475 -6.894 -1.788 1.00 0.00 C ATOM 0 H PHE A 63 -6.773 -10.491 -1.198 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.752 -11.734 -3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.323 -9.490 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.283 -9.411 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.979 -8.727 -4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.399 -8.408 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.365 -7.154 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.786 -6.831 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.765 -6.201 -1.360 1.00 0.00 H new ATOM 905 N ALA A 64 -4.549 -11.316 -3.120 1.00 0.00 N ATOM 906 CA ALA A 64 -3.225 -11.645 -3.634 1.00 0.00 C ATOM 907 C ALA A 64 -2.898 -13.116 -3.408 1.00 0.00 C ATOM 908 O ALA A 64 -3.734 -13.882 -2.929 1.00 0.00 O ATOM 909 CB ALA A 64 -2.172 -10.761 -2.982 1.00 0.00 C ATOM 0 H ALA A 64 -4.553 -10.952 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.223 -11.461 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.188 -11.017 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.389 -9.715 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.184 -10.916 -1.903 1.00 0.00 H new ATOM 915 N LYS A 65 -1.676 -13.506 -3.756 1.00 0.00 N ATOM 916 CA LYS A 65 -1.237 -14.888 -3.591 1.00 0.00 C ATOM 917 C LYS A 65 0.020 -14.972 -2.723 1.00 0.00 C ATOM 918 O LYS A 65 0.684 -16.006 -2.679 1.00 0.00 O ATOM 919 CB LYS A 65 -0.967 -15.521 -4.957 1.00 0.00 C ATOM 920 CG LYS A 65 -1.512 -16.935 -5.092 1.00 0.00 C ATOM 921 CD LYS A 65 -0.394 -17.963 -5.166 1.00 0.00 C ATOM 922 CE LYS A 65 -0.691 -19.037 -6.199 1.00 0.00 C ATOM 923 NZ LYS A 65 -0.362 -18.586 -7.580 1.00 0.00 N ATOM 0 H LYS A 65 -0.972 -12.885 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.035 -15.435 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.409 -14.895 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.108 -15.537 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.157 -17.159 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.129 -17.003 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.543 -17.465 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.258 -18.425 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.119 -19.935 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.745 -19.309 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.579 -19.347 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.926 -17.744 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.650 -18.351 -7.637 1.00 0.00 H new ATOM 937 N GLY A 66 0.339 -13.879 -2.035 1.00 0.00 N ATOM 938 CA GLY A 66 1.513 -13.859 -1.182 1.00 0.00 C ATOM 939 C GLY A 66 1.305 -13.033 0.072 1.00 0.00 C ATOM 940 O GLY A 66 0.171 -12.787 0.480 1.00 0.00 O ATOM 0 H GLY A 66 -0.194 -13.009 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.772 -14.880 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.358 -13.458 -1.742 1.00 0.00 H new ATOM 944 N GLU A 67 2.404 -12.603 0.685 1.00 0.00 N ATOM 945 CA GLU A 67 2.337 -11.798 1.900 1.00 0.00 C ATOM 946 C GLU A 67 2.453 -10.314 1.575 1.00 0.00 C ATOM 947 O GLU A 67 3.489 -9.851 1.098 1.00 0.00 O ATOM 948 CB GLU A 67 3.446 -12.208 2.871 1.00 0.00 C ATOM 949 CG GLU A 67 3.361 -11.509 4.219 1.00 0.00 C ATOM 950 CD GLU A 67 4.395 -12.016 5.204 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.598 -11.990 4.869 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.003 -12.438 6.312 1.00 0.00 O ATOM 0 H GLU A 67 3.351 -12.799 0.360 1.00 0.00 H new ATOM 0 HA GLU A 67 1.369 -11.974 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.402 -13.286 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.413 -11.990 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.495 -10.437 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.365 -11.653 4.637 1.00 0.00 H new ATOM 959 N TRP A 68 1.382 -9.570 1.836 1.00 0.00 N ATOM 960 CA TRP A 68 1.363 -8.137 1.572 1.00 0.00 C ATOM 961 C TRP A 68 1.428 -7.343 2.872 1.00 0.00 C ATOM 962 O TRP A 68 1.186 -7.880 3.952 1.00 0.00 O ATOM 963 CB TRP A 68 0.104 -7.759 0.790 1.00 0.00 C ATOM 964 CG TRP A 68 0.115 -8.247 -0.626 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.565 -9.456 -1.073 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.342 -7.537 -1.782 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.414 -9.541 -2.436 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.141 -8.375 -2.894 1.00 0.00 C ATOM 969 CE3 TRP A 68 -0.906 -6.273 -1.985 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.481 -7.991 -4.190 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.242 -5.892 -3.271 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.029 -6.750 -4.358 1.00 0.00 C ATOM 0 H TRP A 68 0.516 -9.937 2.230 1.00 0.00 H new ATOM 0 HA TRP A 68 2.241 -7.891 0.974 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.768 -8.167 1.301 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.004 -6.674 0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.979 -10.232 -0.447 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.673 -10.341 -3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.076 -5.607 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.318 -8.649 -5.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.676 -4.917 -3.440 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.304 -6.424 -5.350 1.00 0.00 H new ATOM 983 N CYS A 69 1.757 -6.059 2.759 1.00 0.00 N ATOM 984 CA CYS A 69 1.855 -5.190 3.927 1.00 0.00 C ATOM 985 C CYS A 69 0.786 -4.103 3.887 1.00 0.00 C ATOM 986 O CYS A 69 0.818 -3.217 3.032 1.00 0.00 O ATOM 987 CB CYS A 69 3.243 -4.553 3.999 1.00 0.00 C ATOM 988 SG CYS A 69 3.780 -4.139 5.675 1.00 0.00 S ATOM 0 H CYS A 69 1.960 -5.598 1.872 1.00 0.00 H new ATOM 0 HA CYS A 69 1.696 -5.799 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.968 -5.236 3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.247 -3.647 3.394 1.00 0.00 H new ATOM 0 HG CYS A 69 4.573 -3.110 5.635 1.00 0.00 H new ATOM 994 N GLY A 70 -0.160 -4.176 4.818 1.00 0.00 N ATOM 995 CA GLY A 70 -1.225 -3.192 4.872 1.00 0.00 C ATOM 996 C GLY A 70 -0.748 -1.850 5.390 1.00 0.00 C ATOM 997 O GLY A 70 -0.692 -1.627 6.600 1.00 0.00 O ATOM 0 H GLY A 70 -0.208 -4.899 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.648 -3.064 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.025 -3.562 5.513 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.403 -0.952 4.472 1.00 0.00 N ATOM 1002 CA VAL A 71 0.073 0.375 4.842 1.00 0.00 C ATOM 1003 C VAL A 71 -0.996 1.433 4.590 1.00 0.00 C ATOM 1004 O VAL A 71 -1.536 1.533 3.488 1.00 0.00 O ATOM 1005 CB VAL A 71 1.347 0.754 4.064 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.940 2.047 4.602 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.366 -0.374 4.127 1.00 0.00 C ATOM 0 H VAL A 71 -0.444 -1.120 3.467 1.00 0.00 H new ATOM 0 HA VAL A 71 0.304 0.341 5.907 1.00 0.00 H new ATOM 0 HB VAL A 71 1.077 0.913 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.839 2.297 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.212 2.852 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.195 1.920 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.260 -0.089 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.631 -0.567 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.939 -1.275 3.688 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.296 2.220 5.618 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.301 3.271 5.507 1.00 0.00 C ATOM 1019 C GLU A 72 -1.690 4.551 4.947 1.00 0.00 C ATOM 1020 O GLU A 72 -0.737 5.093 5.507 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.930 3.549 6.874 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.100 4.518 6.820 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.728 5.909 7.296 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.272 6.038 8.453 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -3.890 6.868 6.514 1.00 0.00 O ATOM 0 H GLU A 72 -0.858 2.150 6.537 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.075 2.928 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.268 2.608 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.167 3.951 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.472 4.576 5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.914 4.133 7.434 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.243 5.028 3.837 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.753 6.245 3.201 1.00 0.00 C ATOM 1034 C LEU A 73 -2.271 7.484 3.923 1.00 0.00 C ATOM 1035 O LEU A 73 -3.472 7.621 4.160 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.176 6.284 1.732 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.032 4.960 0.980 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.655 5.060 -0.404 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.568 4.561 0.880 1.00 0.00 C ATOM 0 H LEU A 73 -3.031 4.590 3.359 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.665 6.241 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.217 6.603 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.583 7.042 1.219 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.562 4.188 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.542 4.108 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.714 5.299 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.155 5.845 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.484 3.617 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.016 5.334 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.153 4.446 1.881 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.359 8.386 4.270 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.723 9.614 4.966 1.00 0.00 C ATOM 1053 C ASP A 74 -2.562 10.518 4.067 1.00 0.00 C ATOM 1054 O ASP A 74 -3.420 11.261 4.544 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.468 10.356 5.428 1.00 0.00 C ATOM 1056 CG ASP A 74 0.553 10.510 4.318 1.00 0.00 C ATOM 1057 OD1 ASP A 74 0.184 11.014 3.237 1.00 0.00 O ATOM 1058 OD2 ASP A 74 1.723 10.126 4.530 1.00 0.00 O ATOM 0 H ASP A 74 -0.361 8.289 4.080 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.318 9.346 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.748 11.342 5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.017 9.817 6.261 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.306 10.449 2.765 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.036 11.260 1.798 1.00 0.00 C ATOM 1065 C GLU A 75 -4.134 10.443 1.120 1.00 0.00 C ATOM 1066 O GLU A 75 -4.099 9.212 1.133 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.079 11.824 0.747 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.418 13.127 1.163 1.00 0.00 C ATOM 1069 CD GLU A 75 -0.364 13.588 0.175 1.00 0.00 C ATOM 1070 OE1 GLU A 75 0.318 12.722 -0.412 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -0.220 14.814 -0.011 1.00 0.00 O ATOM 0 H GLU A 75 -1.598 9.840 2.355 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.503 12.087 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.306 11.085 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.626 11.984 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.179 13.900 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.960 13.001 2.144 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.125 11.120 0.515 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.234 10.448 -0.172 1.00 0.00 C ATOM 1080 C PRO A 76 -5.779 9.725 -1.434 1.00 0.00 C ATOM 1081 O PRO A 76 -5.954 10.224 -2.546 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.184 11.596 -0.525 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.316 12.806 -0.577 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.242 12.588 0.451 1.00 0.00 C ATOM 0 HA PRO A 76 -6.690 9.677 0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.677 11.422 -1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.969 11.704 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.886 12.935 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.889 13.707 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.302 13.054 0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.518 13.012 1.417 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.191 8.546 -1.255 1.00 0.00 N ATOM 1093 CA LEU A 77 -4.710 7.753 -2.381 1.00 0.00 C ATOM 1094 C LEU A 77 -4.918 6.263 -2.129 1.00 0.00 C ATOM 1095 O LEU A 77 -4.181 5.427 -2.652 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.228 8.038 -2.632 1.00 0.00 C ATOM 1097 CG LEU A 77 -2.911 9.461 -3.096 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.650 9.977 -2.421 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -2.764 9.507 -4.610 1.00 0.00 C ATOM 0 H LEU A 77 -5.036 8.119 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.284 8.035 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.675 7.840 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.861 7.337 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.740 10.108 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.442 10.990 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.792 9.982 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.811 9.329 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.539 10.527 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.954 8.846 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.694 9.182 -5.076 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.926 5.936 -1.326 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.210 4.547 -1.022 1.00 0.00 C ATOM 1113 C GLY A 78 -7.384 4.006 -1.815 1.00 0.00 C ATOM 1114 O GLY A 78 -7.647 4.455 -2.930 1.00 0.00 O ATOM 0 H GLY A 78 -6.550 6.609 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.326 3.945 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.419 4.447 0.043 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.090 3.040 -1.237 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.242 2.437 -1.897 1.00 0.00 C ATOM 1120 C LYS A 79 -10.235 1.898 -0.873 1.00 0.00 C ATOM 1121 O LYS A 79 -11.431 2.185 -0.942 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.792 1.312 -2.830 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.603 1.222 -4.112 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.771 0.260 -3.966 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.384 -1.151 -4.380 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.056 -2.005 -3.204 1.00 0.00 N ATOM 0 H LYS A 79 -7.885 2.658 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.737 3.210 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.742 1.460 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.861 0.362 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.976 2.211 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.960 0.894 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.114 0.256 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.606 0.604 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.203 -1.603 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.525 -1.110 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.013 -3.001 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.135 -1.720 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.790 -1.891 -2.477 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.734 1.115 0.076 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.578 0.536 1.115 1.00 0.00 C ATOM 1142 C ASN A 80 -10.309 1.193 2.466 1.00 0.00 C ATOM 1143 O ASN A 80 -9.243 1.767 2.686 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.340 -0.973 1.213 1.00 0.00 C ATOM 1145 CG ASN A 80 -8.897 -1.310 1.532 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.555 -1.607 2.677 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.041 -1.267 0.518 1.00 0.00 N ATOM 0 H ASN A 80 -8.747 0.866 0.147 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.618 0.717 0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.987 -1.391 1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.621 -1.444 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.057 -1.485 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.368 -1.016 -0.415 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.284 1.103 3.366 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.153 1.689 4.695 1.00 0.00 C ATOM 1156 C ASP A 81 -10.754 0.631 5.718 1.00 0.00 C ATOM 1157 O ASP A 81 -11.153 0.695 6.881 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.466 2.351 5.116 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.617 1.367 5.173 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.748 0.665 6.197 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.389 1.300 4.194 1.00 0.00 O ATOM 0 H ASP A 81 -12.172 0.630 3.199 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.369 2.446 4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.339 2.814 6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.708 3.149 4.415 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.963 -0.344 5.277 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.524 -1.401 6.168 1.00 0.00 C ATOM 1168 C GLY A 82 -10.218 -2.720 5.887 1.00 0.00 C ATOM 1169 O GLY A 82 -9.661 -3.788 6.143 1.00 0.00 O ATOM 0 H GLY A 82 -9.619 -0.420 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.447 -1.532 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.715 -1.106 7.200 1.00 0.00 H new ATOM 1173 N ALA A 83 -11.436 -2.647 5.361 1.00 0.00 N ATOM 1174 CA ALA A 83 -12.205 -3.844 5.046 1.00 0.00 C ATOM 1175 C ALA A 83 -11.922 -4.321 3.626 1.00 0.00 C ATOM 1176 O ALA A 83 -11.817 -3.518 2.699 1.00 0.00 O ATOM 1177 CB ALA A 83 -13.692 -3.577 5.228 1.00 0.00 C ATOM 0 H ALA A 83 -11.911 -1.771 5.144 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.901 -4.633 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.255 -4.479 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.886 -3.290 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.001 -2.770 4.563 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.798 -5.633 3.462 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.526 -6.219 2.156 1.00 0.00 C ATOM 1185 C VAL A 84 -12.405 -7.440 1.907 1.00 0.00 C ATOM 1186 O VAL A 84 -12.135 -8.526 2.418 1.00 0.00 O ATOM 1187 CB VAL A 84 -10.048 -6.630 2.020 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.738 -7.052 0.592 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.136 -5.494 2.457 1.00 0.00 C ATOM 0 H VAL A 84 -11.882 -6.312 4.219 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.752 -5.453 1.414 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.867 -7.484 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.689 -7.339 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.366 -7.900 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.936 -6.220 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.096 -5.803 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.319 -4.620 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.339 -5.244 3.498 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.460 -7.253 1.120 1.00 0.00 N ATOM 1200 CA ALA A 85 -14.380 -8.340 0.804 1.00 0.00 C ATOM 1201 C ALA A 85 -15.006 -8.914 2.070 1.00 0.00 C ATOM 1202 O ALA A 85 -15.342 -10.097 2.127 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.659 -9.431 0.027 1.00 0.00 C ATOM 0 H ALA A 85 -13.699 -6.360 0.690 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.182 -7.937 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.357 -10.236 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.265 -9.017 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.838 -9.823 0.627 1.00 0.00 H new ATOM 1209 N GLY A 86 -15.162 -8.069 3.084 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.748 -8.511 4.335 1.00 0.00 C ATOM 1211 C GLY A 86 -14.714 -8.695 5.429 1.00 0.00 C ATOM 1212 O GLY A 86 -15.023 -8.562 6.613 1.00 0.00 O ATOM 0 H GLY A 86 -14.893 -7.085 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.491 -7.784 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.273 -9.453 4.174 1.00 0.00 H new ATOM 1216 N THR A 87 -13.482 -8.999 5.032 1.00 0.00 N ATOM 1217 CA THR A 87 -12.400 -9.201 5.987 1.00 0.00 C ATOM 1218 C THR A 87 -11.872 -7.867 6.502 1.00 0.00 C ATOM 1219 O THR A 87 -11.538 -6.977 5.719 1.00 0.00 O ATOM 1220 CB THR A 87 -11.263 -9.998 5.342 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.774 -11.105 4.621 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.260 -10.524 6.344 1.00 0.00 C ATOM 0 H THR A 87 -13.209 -9.111 4.056 1.00 0.00 H new ATOM 0 HA THR A 87 -12.796 -9.765 6.832 1.00 0.00 H new ATOM 0 HB THR A 87 -10.756 -9.297 4.680 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.033 -11.601 4.215 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.481 -11.079 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.812 -9.689 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.764 -11.183 7.051 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.799 -7.733 7.822 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.311 -6.506 8.440 1.00 0.00 C ATOM 1232 C ARG A 88 -9.825 -6.615 8.766 1.00 0.00 C ATOM 1233 O ARG A 88 -9.333 -7.688 9.116 1.00 0.00 O ATOM 1234 CB ARG A 88 -12.102 -6.202 9.713 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.192 -4.718 10.033 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.545 -4.354 10.624 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.093 -3.139 10.025 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.157 -2.495 10.500 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.789 -2.944 11.577 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.591 -1.398 9.894 1.00 0.00 N ATOM 0 H ARG A 88 -12.072 -8.459 8.484 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.451 -5.691 7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.110 -6.605 9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.637 -6.719 10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.403 -4.448 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.023 -4.139 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.241 -5.179 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.445 -4.215 11.700 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.634 -2.763 9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.460 -3.788 12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.604 -2.445 11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.110 -1.049 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.406 -0.904 10.257 1.00 0.00 H new ATOM 1254 N TYR A 89 -9.115 -5.498 8.646 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.684 -5.468 8.927 1.00 0.00 C ATOM 1256 C TYR A 89 -7.349 -4.362 9.923 1.00 0.00 C ATOM 1257 O TYR A 89 -7.026 -4.632 11.080 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.893 -5.262 7.634 1.00 0.00 C ATOM 1259 CG TYR A 89 -7.049 -6.391 6.642 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.262 -6.617 6.001 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.985 -7.234 6.344 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.409 -7.648 5.093 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -6.125 -8.267 5.438 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.338 -8.470 4.815 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.480 -9.498 3.912 1.00 0.00 O ATOM 0 H TYR A 89 -9.507 -4.602 8.356 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.405 -6.426 9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.214 -4.332 7.166 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.837 -5.148 7.878 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.104 -5.976 6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.033 -7.079 6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.358 -7.809 4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.288 -8.913 5.219 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.631 -9.981 3.830 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.427 -3.117 9.465 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.132 -1.969 10.315 1.00 0.00 C ATOM 1277 C PHE A 90 -8.218 -0.907 10.191 1.00 0.00 C ATOM 1278 O PHE A 90 -8.653 -0.575 9.087 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.773 -1.372 9.948 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.610 -1.112 8.478 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -6.089 0.058 7.912 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -4.977 -2.037 7.663 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.941 0.300 6.558 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -4.825 -1.800 6.310 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.308 -0.630 5.757 1.00 0.00 C ATOM 0 H PHE A 90 -7.692 -2.877 8.510 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.102 -2.312 11.349 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.637 -0.437 10.491 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.986 -2.050 10.278 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.583 0.789 8.534 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.598 -2.954 8.090 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.320 1.215 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.329 -2.529 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.191 -0.443 4.700 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.652 -0.375 11.328 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.688 0.652 11.346 1.00 0.00 C ATOM 1297 C GLN A 91 -9.100 2.024 11.036 1.00 0.00 C ATOM 1298 O GLN A 91 -8.359 2.590 11.840 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.386 0.679 12.707 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.753 1.344 12.676 1.00 0.00 C ATOM 1301 CD GLN A 91 -11.665 2.852 12.546 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -10.931 3.509 13.284 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.415 3.409 11.602 1.00 0.00 N ATOM 0 H GLN A 91 -8.303 -0.638 12.250 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.419 0.408 10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.496 -0.343 13.070 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.752 1.204 13.421 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.329 0.944 11.841 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.296 1.093 13.587 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.009 2.826 11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.397 4.420 11.466 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.434 2.554 9.864 1.00 0.00 N ATOM 1313 CA CYS A 92 -8.939 3.861 9.447 1.00 0.00 C ATOM 1314 C CYS A 92 -9.992 4.607 8.634 1.00 0.00 C ATOM 1315 O CYS A 92 -11.077 4.084 8.377 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.658 3.708 8.626 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.212 3.222 9.599 1.00 0.00 S ATOM 0 H CYS A 92 -10.045 2.099 9.186 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.719 4.441 10.343 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.825 2.964 7.847 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.445 4.652 8.125 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.590 2.866 10.791 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.664 5.829 8.230 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.582 6.646 7.445 1.00 0.00 C ATOM 1325 C GLN A 93 -10.614 6.185 5.989 1.00 0.00 C ATOM 1326 O GLN A 93 -9.605 5.723 5.455 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.174 8.119 7.514 1.00 0.00 C ATOM 1328 CG GLN A 93 -10.598 8.806 8.802 1.00 0.00 C ATOM 1329 CD GLN A 93 -9.778 10.048 9.096 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -8.966 10.065 10.021 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -9.988 11.095 8.308 1.00 0.00 N ATOM 0 H GLN A 93 -8.770 6.276 8.433 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.580 6.531 7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.091 8.193 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.611 8.649 6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.651 9.078 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.501 8.106 9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.671 11.036 7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.466 11.959 8.457 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.776 6.303 5.325 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.930 5.895 3.924 1.00 0.00 C ATOM 1342 C PRO A 94 -10.914 6.574 3.011 1.00 0.00 C ATOM 1343 O PRO A 94 -10.435 7.669 3.304 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.350 6.346 3.569 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.063 6.429 4.875 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.030 6.842 5.884 1.00 0.00 C ATOM 0 HA PRO A 94 -11.766 4.825 3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.343 7.310 3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.834 5.636 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.876 7.153 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.505 5.469 5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.988 7.925 5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.242 6.428 6.870 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.591 5.917 1.901 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.633 6.458 0.943 1.00 0.00 C ATOM 1356 C LYS A 95 -8.279 6.703 1.604 1.00 0.00 C ATOM 1357 O LYS A 95 -7.718 7.795 1.507 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.166 7.760 0.340 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.296 7.553 -0.653 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.260 8.729 -0.652 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.702 8.268 -0.803 1.00 0.00 C ATOM 1362 NZ LYS A 95 -14.630 9.055 0.055 1.00 0.00 N ATOM 0 H LYS A 95 -10.979 5.009 1.643 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.498 5.726 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.515 8.407 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.348 8.282 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.883 7.420 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.836 6.638 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.151 9.289 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.007 9.409 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.005 8.361 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.775 7.212 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.602 8.710 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.357 8.946 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.580 10.059 -0.210 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.760 5.681 2.276 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.472 5.788 2.951 1.00 0.00 C ATOM 1378 C TYR A 96 -5.809 4.419 3.079 1.00 0.00 C ATOM 1379 O TYR A 96 -4.621 4.266 2.795 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.649 6.413 4.335 1.00 0.00 C ATOM 1381 CG TYR A 96 -6.947 7.895 4.297 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.132 8.768 3.585 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.041 8.422 4.970 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.401 10.122 3.546 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.317 9.776 4.936 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.494 10.621 4.223 1.00 0.00 C ATOM 1387 OH TYR A 96 -7.765 11.970 4.187 1.00 0.00 O ATOM 0 H TYR A 96 -8.211 4.771 2.368 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.827 6.429 2.350 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.459 5.901 4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.743 6.248 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.275 8.381 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.688 7.763 5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.758 10.787 2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.172 10.169 5.465 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.570 12.156 4.714 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.584 3.429 3.507 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.054 2.088 3.664 1.00 0.00 C ATOM 1399 C GLY A 97 -5.683 1.452 2.339 1.00 0.00 C ATOM 1400 O GLY A 97 -6.535 1.273 1.470 1.00 0.00 O ATOM 0 H GLY A 97 -7.570 3.531 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.174 2.121 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.793 1.465 4.168 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.407 1.112 2.184 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.924 0.493 0.954 1.00 0.00 C ATOM 1406 C LEU A 98 -3.078 -0.739 1.260 1.00 0.00 C ATOM 1407 O LEU A 98 -2.400 -0.799 2.285 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.108 1.498 0.139 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.661 1.003 -1.237 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.718 1.311 -2.285 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.329 1.630 -1.621 1.00 0.00 C ATOM 0 H LEU A 98 -3.689 1.255 2.894 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.790 0.180 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.701 2.403 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.224 1.776 0.713 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.532 -0.078 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.382 0.951 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.651 0.815 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.880 2.388 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.026 1.267 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.433 2.715 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.573 1.358 -0.884 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.124 -1.718 0.362 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.361 -2.949 0.534 1.00 0.00 C ATOM 1425 C PHE A 99 -1.401 -3.162 -0.632 1.00 0.00 C ATOM 1426 O PHE A 99 -1.798 -3.098 -1.795 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.306 -4.147 0.656 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.822 -4.367 2.049 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.019 -4.950 3.015 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -5.111 -3.991 2.391 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.491 -5.154 4.298 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.589 -4.193 3.672 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.778 -4.775 4.627 1.00 0.00 C ATOM 0 H PHE A 99 -3.681 -1.683 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.778 -2.860 1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.151 -4.002 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.785 -5.045 0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.012 -5.249 2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.749 -3.535 1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.854 -5.609 5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.596 -3.896 3.926 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.149 -4.933 5.629 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.135 -3.415 -0.313 1.00 0.00 N ATOM 1444 CA ALA A 100 0.880 -3.636 -1.335 1.00 0.00 C ATOM 1445 C ALA A 100 1.881 -4.702 -0.894 1.00 0.00 C ATOM 1446 O ALA A 100 2.145 -4.861 0.297 1.00 0.00 O ATOM 1447 CB ALA A 100 1.599 -2.334 -1.654 1.00 0.00 C ATOM 0 H ALA A 100 0.211 -3.472 0.645 1.00 0.00 H new ATOM 0 HA ALA A 100 0.382 -3.994 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.355 -2.514 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.880 -1.601 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.079 -1.953 -0.752 1.00 0.00 H new ATOM 1453 N PRO A 101 2.455 -5.449 -1.855 1.00 0.00 N ATOM 1454 CA PRO A 101 3.431 -6.501 -1.556 1.00 0.00 C ATOM 1455 C PRO A 101 4.670 -5.954 -0.854 1.00 0.00 C ATOM 1456 O PRO A 101 5.187 -4.899 -1.222 1.00 0.00 O ATOM 1457 CB PRO A 101 3.807 -7.062 -2.933 1.00 0.00 C ATOM 1458 CG PRO A 101 2.721 -6.620 -3.853 1.00 0.00 C ATOM 1459 CD PRO A 101 2.201 -5.327 -3.300 1.00 0.00 C ATOM 0 HA PRO A 101 3.018 -7.250 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.776 -6.684 -3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.881 -8.149 -2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.100 -6.485 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.929 -7.367 -3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.719 -4.469 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.140 -5.197 -3.512 1.00 0.00 H new ATOM 1467 N VAL A 102 5.140 -6.676 0.159 1.00 0.00 N ATOM 1468 CA VAL A 102 6.318 -6.259 0.911 1.00 0.00 C ATOM 1469 C VAL A 102 7.502 -5.998 -0.014 1.00 0.00 C ATOM 1470 O VAL A 102 8.167 -4.967 0.090 1.00 0.00 O ATOM 1471 CB VAL A 102 6.720 -7.315 1.959 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.678 -7.393 3.066 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.916 -8.675 1.307 1.00 0.00 C ATOM 0 H VAL A 102 4.724 -7.551 0.477 1.00 0.00 H new ATOM 0 HA VAL A 102 6.053 -5.334 1.422 1.00 0.00 H new ATOM 0 HB VAL A 102 7.669 -7.013 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.979 -8.144 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.594 -6.423 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.714 -7.668 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.199 -9.405 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.986 -8.988 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.703 -8.608 0.556 1.00 0.00 H new ATOM 1483 N HIS A 103 7.762 -6.936 -0.921 1.00 0.00 N ATOM 1484 CA HIS A 103 8.866 -6.802 -1.864 1.00 0.00 C ATOM 1485 C HIS A 103 8.712 -5.539 -2.707 1.00 0.00 C ATOM 1486 O HIS A 103 9.697 -4.974 -3.182 1.00 0.00 O ATOM 1487 CB HIS A 103 8.945 -8.030 -2.773 1.00 0.00 C ATOM 1488 CG HIS A 103 7.651 -8.361 -3.449 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.289 -7.886 -4.690 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.622 -9.144 -3.033 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.080 -8.383 -4.984 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.632 -9.153 -4.011 1.00 0.00 N ATOM 0 H HIS A 103 7.223 -7.796 -1.022 1.00 0.00 H new ATOM 0 HA HIS A 103 9.790 -6.725 -1.291 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.709 -7.861 -3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.267 -8.888 -2.183 1.00 0.00 H new ATOM 0 HD1 HIS A 103 7.843 -7.266 -5.281 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.579 -9.675 -2.093 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.542 -8.180 -5.898 1.00 0.00 H new ATOM 1500 N LYS A 104 7.470 -5.101 -2.888 1.00 0.00 N ATOM 1501 CA LYS A 104 7.190 -3.903 -3.670 1.00 0.00 C ATOM 1502 C LYS A 104 7.275 -2.650 -2.802 1.00 0.00 C ATOM 1503 O LYS A 104 7.468 -1.545 -3.309 1.00 0.00 O ATOM 1504 CB LYS A 104 5.804 -4.004 -4.314 1.00 0.00 C ATOM 1505 CG LYS A 104 5.848 -4.146 -5.827 1.00 0.00 C ATOM 1506 CD LYS A 104 4.712 -5.017 -6.339 1.00 0.00 C ATOM 1507 CE LYS A 104 4.577 -4.924 -7.850 1.00 0.00 C ATOM 1508 NZ LYS A 104 3.309 -5.540 -8.333 1.00 0.00 N ATOM 0 H LYS A 104 6.643 -5.558 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 104 7.943 -3.826 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.277 -4.860 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.227 -3.116 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.788 -3.160 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.803 -4.579 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.889 -6.053 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.777 -4.711 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.611 -3.878 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.425 -5.421 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.255 -5.456 -9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.287 -6.545 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.499 -5.050 -7.903 1.00 0.00 H new ATOM 1522 N VAL A 105 7.129 -2.827 -1.491 1.00 0.00 N ATOM 1523 CA VAL A 105 7.192 -1.707 -0.559 1.00 0.00 C ATOM 1524 C VAL A 105 8.635 -1.303 -0.281 1.00 0.00 C ATOM 1525 O VAL A 105 9.467 -2.138 0.074 1.00 0.00 O ATOM 1526 CB VAL A 105 6.500 -2.045 0.775 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.397 -0.806 1.652 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.125 -2.650 0.527 1.00 0.00 C ATOM 0 H VAL A 105 6.967 -3.733 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 105 6.669 -0.875 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 105 7.105 -2.784 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.905 -1.064 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.396 -0.423 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.815 -0.042 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.652 -2.882 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.507 -1.938 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.230 -3.564 -0.058 1.00 0.00 H new ATOM 1538 N THR A 106 8.926 -0.016 -0.443 1.00 0.00 N ATOM 1539 CA THR A 106 10.270 0.500 -0.208 1.00 0.00 C ATOM 1540 C THR A 106 10.322 1.308 1.084 1.00 0.00 C ATOM 1541 O THR A 106 9.347 1.957 1.462 1.00 0.00 O ATOM 1542 CB THR A 106 10.719 1.369 -1.385 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.129 0.922 -2.592 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.220 1.379 -1.583 1.00 0.00 C ATOM 0 H THR A 106 8.249 0.689 -0.736 1.00 0.00 H new ATOM 0 HA THR A 106 10.947 -0.349 -0.114 1.00 0.00 H new ATOM 0 HB THR A 106 10.395 2.380 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.427 1.491 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.471 2.014 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.703 1.767 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.569 0.364 -1.773 1.00 0.00 H new ATOM 1552 N LYS A 107 11.466 1.264 1.761 1.00 0.00 N ATOM 1553 CA LYS A 107 11.643 1.992 3.011 1.00 0.00 C ATOM 1554 C LYS A 107 12.274 3.359 2.762 1.00 0.00 C ATOM 1555 O LYS A 107 13.060 3.530 1.829 1.00 0.00 O ATOM 1556 CB LYS A 107 12.511 1.185 3.978 1.00 0.00 C ATOM 1557 CG LYS A 107 12.036 1.250 5.421 1.00 0.00 C ATOM 1558 CD LYS A 107 12.859 0.345 6.323 1.00 0.00 C ATOM 1559 CE LYS A 107 13.785 1.145 7.225 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.818 0.285 7.865 1.00 0.00 N ATOM 0 H LYS A 107 12.284 0.731 1.464 1.00 0.00 H new ATOM 0 HA LYS A 107 10.659 2.142 3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.527 0.144 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.536 1.551 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.100 2.277 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.987 0.959 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.193 -0.264 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.447 -0.340 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.273 1.926 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.198 1.643 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.429 0.869 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.353 -0.445 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.395 -0.171 7.129 1.00 0.00 H new ATOM 1574 N ILE A 108 11.922 4.328 3.600 1.00 0.00 N ATOM 1575 CA ILE A 108 12.453 5.680 3.469 1.00 0.00 C ATOM 1576 C ILE A 108 13.381 6.021 4.630 1.00 0.00 C ATOM 1577 O ILE A 108 14.354 6.757 4.465 1.00 0.00 O ATOM 1578 CB ILE A 108 11.323 6.725 3.409 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.396 6.579 4.618 1.00 0.00 C ATOM 1580 CG2 ILE A 108 10.538 6.583 2.113 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.268 7.587 4.641 1.00 0.00 C ATOM 0 H ILE A 108 11.272 4.203 4.376 1.00 0.00 H new ATOM 0 HA ILE A 108 13.015 5.709 2.536 1.00 0.00 H new ATOM 0 HB ILE A 108 11.768 7.720 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.974 5.574 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.983 6.682 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.743 7.328 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.206 6.733 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.102 5.585 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.652 7.424 5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.681 8.595 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.657 7.469 3.746 1.00 0.00 H new