USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 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 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -133:sc= 0.432 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -160:sc= -1.46 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.8) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.142 USER MOD Single : A 93 GLN : amide:sc= -0.89 K(o=-0.89,f=-3.9!) 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= -5.08! C(o=-5.1!,f=-6!) 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+ 179:sc= 0 (180deg=-0.000178) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.678 -4.809 7.423 1.00 0.00 N ATOM 522 CA LEU A 39 8.814 -3.741 7.911 1.00 0.00 C ATOM 523 C LEU A 39 8.143 -4.141 9.221 1.00 0.00 C ATOM 524 O LEU A 39 8.105 -5.319 9.577 1.00 0.00 O ATOM 525 CB LEU A 39 7.752 -3.397 6.865 1.00 0.00 C ATOM 526 CG LEU A 39 8.250 -3.374 5.420 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.100 -3.103 4.463 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.344 -2.330 5.251 1.00 0.00 C ATOM 0 HA LEU A 39 9.432 -2.862 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.940 -4.121 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.332 -2.420 7.104 1.00 0.00 H new ATOM 0 HG LEU A 39 8.668 -4.352 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.474 -3.090 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.349 -3.886 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.651 -2.138 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.687 -2.327 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.950 -1.346 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.179 -2.568 5.910 1.00 0.00 H new ATOM 540 N LYS A 40 7.614 -3.153 9.935 1.00 0.00 N ATOM 541 CA LYS A 40 6.944 -3.402 11.206 1.00 0.00 C ATOM 542 C LYS A 40 5.831 -2.386 11.442 1.00 0.00 C ATOM 543 O LYS A 40 5.698 -1.411 10.702 1.00 0.00 O ATOM 544 CB LYS A 40 7.952 -3.350 12.356 1.00 0.00 C ATOM 545 CG LYS A 40 7.693 -4.386 13.437 1.00 0.00 C ATOM 546 CD LYS A 40 8.990 -4.873 14.063 1.00 0.00 C ATOM 547 CE LYS A 40 8.735 -5.639 15.351 1.00 0.00 C ATOM 548 NZ LYS A 40 8.416 -7.070 15.091 1.00 0.00 N ATOM 0 H LYS A 40 7.636 -2.172 9.655 1.00 0.00 H new ATOM 0 HA LYS A 40 6.500 -4.397 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.955 -3.497 11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.930 -2.356 12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.054 -3.957 14.209 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.153 -5.232 13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.518 -5.513 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.639 -4.021 14.268 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.614 -5.574 15.993 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.910 -5.175 15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.249 -7.558 15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.563 -7.134 14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.213 -7.519 14.597 1.00 0.00 H new ATOM 562 N ILE A 41 5.033 -2.620 12.480 1.00 0.00 N ATOM 563 CA ILE A 41 3.933 -1.726 12.815 1.00 0.00 C ATOM 564 C ILE A 41 4.448 -0.410 13.388 1.00 0.00 C ATOM 565 O ILE A 41 4.723 -0.307 14.583 1.00 0.00 O ATOM 566 CB ILE A 41 2.973 -2.373 13.832 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.592 -3.784 13.381 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.730 -1.514 14.010 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.941 -3.827 12.015 1.00 0.00 C ATOM 0 H ILE A 41 5.129 -3.422 13.103 1.00 0.00 H new ATOM 0 HA ILE A 41 3.393 -1.530 11.889 1.00 0.00 H new ATOM 0 HB ILE A 41 3.482 -2.444 14.793 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.487 -4.407 13.368 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.911 -4.219 14.113 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.062 -1.985 14.731 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.018 -0.527 14.373 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.217 -1.413 13.053 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.698 -4.859 11.760 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.028 -3.232 12.028 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.628 -3.422 11.272 1.00 0.00 H new ATOM 581 N GLY A 42 4.579 0.593 12.526 1.00 0.00 N ATOM 582 CA GLY A 42 5.062 1.889 12.965 1.00 0.00 C ATOM 583 C GLY A 42 6.030 2.512 11.979 1.00 0.00 C ATOM 584 O GLY A 42 5.955 3.708 11.696 1.00 0.00 O ATOM 0 H GLY A 42 4.359 0.531 11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.215 2.559 13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.553 1.782 13.932 1.00 0.00 H new ATOM 588 N ASP A 43 6.942 1.700 11.456 1.00 0.00 N ATOM 589 CA ASP A 43 7.930 2.179 10.495 1.00 0.00 C ATOM 590 C ASP A 43 7.258 2.627 9.201 1.00 0.00 C ATOM 591 O ASP A 43 6.315 1.995 8.728 1.00 0.00 O ATOM 592 CB ASP A 43 8.956 1.082 10.198 1.00 0.00 C ATOM 593 CG ASP A 43 9.844 0.783 11.389 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.303 0.544 12.488 1.00 0.00 O ATOM 595 OD2 ASP A 43 11.082 0.790 11.223 1.00 0.00 O ATOM 0 H ASP A 43 7.018 0.708 11.681 1.00 0.00 H new ATOM 0 HA ASP A 43 8.441 3.036 10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.435 0.172 9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.575 1.386 9.354 1.00 0.00 H new ATOM 600 N ARG A 44 7.752 3.724 8.634 1.00 0.00 N ATOM 601 CA ARG A 44 7.200 4.257 7.395 1.00 0.00 C ATOM 602 C ARG A 44 7.857 3.607 6.181 1.00 0.00 C ATOM 603 O ARG A 44 9.017 3.196 6.236 1.00 0.00 O ATOM 604 CB ARG A 44 7.388 5.774 7.339 1.00 0.00 C ATOM 605 CG ARG A 44 6.464 6.537 8.275 1.00 0.00 C ATOM 606 CD ARG A 44 6.340 7.996 7.868 1.00 0.00 C ATOM 607 NE ARG A 44 5.725 8.147 6.551 1.00 0.00 N ATOM 608 CZ ARG A 44 5.260 9.301 6.079 1.00 0.00 C ATOM 609 NH1 ARG A 44 5.339 10.407 6.810 1.00 0.00 N ATOM 610 NH2 ARG A 44 4.715 9.351 4.871 1.00 0.00 N ATOM 0 H ARG A 44 8.533 4.260 9.013 1.00 0.00 H new ATOM 0 HA ARG A 44 6.134 4.028 7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.422 6.013 7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.219 6.115 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.478 6.073 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.844 6.474 9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.745 8.530 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.328 8.456 7.861 1.00 0.00 H new ATOM 0 HE ARG A 44 5.648 7.320 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.758 10.375 7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.981 11.288 6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.652 8.505 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.358 10.235 4.509 1.00 0.00 H new ATOM 624 N VAL A 45 7.110 3.519 5.087 1.00 0.00 N ATOM 625 CA VAL A 45 7.620 2.919 3.860 1.00 0.00 C ATOM 626 C VAL A 45 7.114 3.668 2.631 1.00 0.00 C ATOM 627 O VAL A 45 6.224 4.512 2.728 1.00 0.00 O ATOM 628 CB VAL A 45 7.213 1.438 3.746 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.980 0.594 4.752 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.712 1.281 3.942 1.00 0.00 C ATOM 0 H VAL A 45 6.149 3.855 5.024 1.00 0.00 H new ATOM 0 HA VAL A 45 8.707 2.987 3.904 1.00 0.00 H new ATOM 0 HB VAL A 45 7.465 1.087 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.679 -0.449 4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.049 0.682 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.762 0.943 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.442 0.228 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.433 1.649 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.184 1.853 3.179 1.00 0.00 H new ATOM 640 N LEU A 46 7.689 3.352 1.474 1.00 0.00 N ATOM 641 CA LEU A 46 7.297 3.995 0.225 1.00 0.00 C ATOM 642 C LEU A 46 6.871 2.958 -0.808 1.00 0.00 C ATOM 643 O LEU A 46 7.362 1.829 -0.810 1.00 0.00 O ATOM 644 CB LEU A 46 8.451 4.836 -0.325 1.00 0.00 C ATOM 645 CG LEU A 46 8.090 5.735 -1.508 1.00 0.00 C ATOM 646 CD1 LEU A 46 7.343 6.971 -1.031 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.342 6.129 -2.277 1.00 0.00 C ATOM 0 H LEU A 46 8.427 2.655 1.376 1.00 0.00 H new ATOM 0 HA LEU A 46 6.448 4.647 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.842 5.459 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.256 4.167 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 46 7.436 5.178 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.094 7.599 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.427 6.669 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.972 7.532 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.068 6.769 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.020 6.668 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.836 5.233 -2.651 1.00 0.00 H new ATOM 659 N VAL A 47 5.954 3.348 -1.688 1.00 0.00 N ATOM 660 CA VAL A 47 5.462 2.453 -2.727 1.00 0.00 C ATOM 661 C VAL A 47 5.128 3.222 -4.003 1.00 0.00 C ATOM 662 O VAL A 47 4.230 4.064 -4.015 1.00 0.00 O ATOM 663 CB VAL A 47 4.211 1.682 -2.258 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.077 2.643 -1.934 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.779 0.670 -3.309 1.00 0.00 C ATOM 0 H VAL A 47 5.537 4.279 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 47 6.260 1.740 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 47 4.465 1.139 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.204 2.079 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.390 3.321 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.823 3.219 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.895 0.137 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.545 1.188 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.587 -0.041 -3.483 1.00 0.00 H new ATOM 675 N GLY A 48 5.858 2.927 -5.073 1.00 0.00 N ATOM 676 CA GLY A 48 5.625 3.600 -6.337 1.00 0.00 C ATOM 677 C GLY A 48 6.568 4.766 -6.557 1.00 0.00 C ATOM 678 O GLY A 48 6.920 5.085 -7.692 1.00 0.00 O ATOM 0 H GLY A 48 6.606 2.234 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.740 2.885 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.596 3.958 -6.370 1.00 0.00 H new ATOM 682 N GLY A 49 6.978 5.406 -5.465 1.00 0.00 N ATOM 683 CA GLY A 49 7.882 6.536 -5.564 1.00 0.00 C ATOM 684 C GLY A 49 7.183 7.861 -5.328 1.00 0.00 C ATOM 685 O GLY A 49 7.605 8.894 -5.847 1.00 0.00 O ATOM 0 H GLY A 49 6.700 5.161 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.686 6.419 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.343 6.543 -6.552 1.00 0.00 H new ATOM 689 N THR A 50 6.113 7.830 -4.541 1.00 0.00 N ATOM 690 CA THR A 50 5.354 9.037 -4.236 1.00 0.00 C ATOM 691 C THR A 50 4.419 8.808 -3.052 1.00 0.00 C ATOM 692 O THR A 50 4.356 9.622 -2.131 1.00 0.00 O ATOM 693 CB THR A 50 4.547 9.482 -5.458 1.00 0.00 C ATOM 694 OG1 THR A 50 4.226 8.371 -6.277 1.00 0.00 O ATOM 695 CG2 THR A 50 5.274 10.492 -6.320 1.00 0.00 C ATOM 0 H THR A 50 5.752 6.983 -4.103 1.00 0.00 H new ATOM 0 HA THR A 50 6.062 9.822 -3.971 1.00 0.00 H new ATOM 0 HB THR A 50 3.649 9.951 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.709 8.675 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.647 10.765 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.494 11.382 -5.730 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.206 10.057 -6.683 1.00 0.00 H new ATOM 703 N LYS A 51 3.695 7.693 -3.084 1.00 0.00 N ATOM 704 CA LYS A 51 2.764 7.358 -2.013 1.00 0.00 C ATOM 705 C LYS A 51 3.497 6.729 -0.832 1.00 0.00 C ATOM 706 O LYS A 51 4.009 5.613 -0.928 1.00 0.00 O ATOM 707 CB LYS A 51 1.686 6.400 -2.528 1.00 0.00 C ATOM 708 CG LYS A 51 1.095 6.811 -3.866 1.00 0.00 C ATOM 709 CD LYS A 51 0.463 5.629 -4.584 1.00 0.00 C ATOM 710 CE LYS A 51 -1.053 5.646 -4.462 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.704 6.145 -5.704 1.00 0.00 N ATOM 0 H LYS A 51 3.735 7.008 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 51 2.291 8.280 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.113 5.402 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.886 6.337 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.345 7.587 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.876 7.243 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.744 5.649 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.852 4.700 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.411 4.640 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.343 6.277 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.737 6.141 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.382 7.115 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.449 5.528 -6.502 1.00 0.00 H new ATOM 725 N ALA A 52 3.544 7.453 0.281 1.00 0.00 N ATOM 726 CA ALA A 52 4.215 6.967 1.481 1.00 0.00 C ATOM 727 C ALA A 52 3.319 7.110 2.707 1.00 0.00 C ATOM 728 O ALA A 52 2.689 8.147 2.910 1.00 0.00 O ATOM 729 CB ALA A 52 5.524 7.712 1.693 1.00 0.00 C ATOM 0 H ALA A 52 3.126 8.378 0.377 1.00 0.00 H new ATOM 0 HA ALA A 52 4.431 5.908 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.014 7.339 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.175 7.555 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.322 8.777 1.805 1.00 0.00 H new ATOM 735 N GLY A 53 3.269 6.062 3.521 1.00 0.00 N ATOM 736 CA GLY A 53 2.448 6.090 4.717 1.00 0.00 C ATOM 737 C GLY A 53 3.046 5.280 5.850 1.00 0.00 C ATOM 738 O GLY A 53 4.232 4.952 5.829 1.00 0.00 O ATOM 0 H GLY A 53 3.783 5.193 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.319 7.123 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.456 5.704 4.482 1.00 0.00 H new ATOM 742 N VAL A 54 2.223 4.957 6.842 1.00 0.00 N ATOM 743 CA VAL A 54 2.677 4.179 7.988 1.00 0.00 C ATOM 744 C VAL A 54 2.073 2.780 7.978 1.00 0.00 C ATOM 745 O VAL A 54 0.931 2.589 7.557 1.00 0.00 O ATOM 746 CB VAL A 54 2.315 4.872 9.315 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.966 4.154 10.488 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.723 6.336 9.283 1.00 0.00 C ATOM 0 H VAL A 54 1.239 5.222 6.875 1.00 0.00 H new ATOM 0 HA VAL A 54 3.762 4.104 7.909 1.00 0.00 H new ATOM 0 HB VAL A 54 1.234 4.824 9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.699 4.658 11.417 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.617 3.122 10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.049 4.167 10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.459 6.808 10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.799 6.410 9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.204 6.841 8.468 1.00 0.00 H new ATOM 758 N VAL A 55 2.846 1.803 8.441 1.00 0.00 N ATOM 759 CA VAL A 55 2.386 0.420 8.484 1.00 0.00 C ATOM 760 C VAL A 55 1.405 0.203 9.631 1.00 0.00 C ATOM 761 O VAL A 55 1.719 0.476 10.789 1.00 0.00 O ATOM 762 CB VAL A 55 3.564 -0.560 8.639 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.087 -1.997 8.496 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.655 -0.250 7.624 1.00 0.00 C ATOM 0 H VAL A 55 3.794 1.944 8.792 1.00 0.00 H new ATOM 0 HA VAL A 55 1.883 0.225 7.537 1.00 0.00 H new ATOM 0 HB VAL A 55 3.983 -0.438 9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.934 -2.674 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.345 -2.212 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.640 -2.136 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.479 -0.953 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.251 -0.341 6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.018 0.766 7.779 1.00 0.00 H new ATOM 774 N ARG A 56 0.215 -0.290 9.301 1.00 0.00 N ATOM 775 CA ARG A 56 -0.811 -0.544 10.304 1.00 0.00 C ATOM 776 C ARG A 56 -1.079 -2.039 10.442 1.00 0.00 C ATOM 777 O ARG A 56 -1.213 -2.556 11.552 1.00 0.00 O ATOM 778 CB ARG A 56 -2.105 0.186 9.937 1.00 0.00 C ATOM 779 CG ARG A 56 -1.930 1.686 9.762 1.00 0.00 C ATOM 780 CD ARG A 56 -1.606 2.366 11.083 1.00 0.00 C ATOM 781 NE ARG A 56 -0.993 3.677 10.887 1.00 0.00 N ATOM 782 CZ ARG A 56 -0.304 4.322 11.826 1.00 0.00 C ATOM 783 NH1 ARG A 56 -0.139 3.780 13.027 1.00 0.00 N ATOM 784 NH2 ARG A 56 0.222 5.511 11.564 1.00 0.00 N ATOM 0 H ARG A 56 -0.061 -0.521 8.347 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.449 -0.168 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.500 -0.235 9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.848 0.004 10.714 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.131 1.879 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.842 2.114 9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.519 2.476 11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.932 1.733 11.661 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.099 4.125 9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.541 2.866 13.233 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.390 4.278 13.743 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.099 5.931 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.750 6.005 12.284 1.00 0.00 H new ATOM 798 N PHE A 57 -1.155 -2.729 9.308 1.00 0.00 N ATOM 799 CA PHE A 57 -1.406 -4.166 9.302 1.00 0.00 C ATOM 800 C PHE A 57 -0.231 -4.922 8.692 1.00 0.00 C ATOM 801 O PHE A 57 0.549 -4.360 7.922 1.00 0.00 O ATOM 802 CB PHE A 57 -2.686 -4.477 8.525 1.00 0.00 C ATOM 803 CG PHE A 57 -3.154 -5.895 8.683 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.623 -6.905 7.898 1.00 0.00 C ATOM 805 CD2 PHE A 57 -4.126 -6.218 9.617 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.052 -8.212 8.040 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.560 -7.522 9.764 1.00 0.00 C ATOM 808 CZ PHE A 57 -4.022 -8.520 8.975 1.00 0.00 C ATOM 0 H PHE A 57 -1.046 -2.316 8.382 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.527 -4.493 10.335 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.476 -3.803 8.857 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.518 -4.274 7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.865 -6.669 7.166 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.549 -5.442 10.237 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.630 -8.990 7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.319 -7.760 10.495 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.359 -9.540 9.089 1.00 0.00 H new ATOM 818 N LEU A 58 -0.110 -6.199 9.040 1.00 0.00 N ATOM 819 CA LEU A 58 0.971 -7.032 8.525 1.00 0.00 C ATOM 820 C LEU A 58 0.595 -8.510 8.586 1.00 0.00 C ATOM 821 O LEU A 58 0.609 -9.121 9.655 1.00 0.00 O ATOM 822 CB LEU A 58 2.255 -6.789 9.322 1.00 0.00 C ATOM 823 CG LEU A 58 3.522 -7.382 8.704 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.775 -6.787 7.328 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.717 -7.150 9.617 1.00 0.00 C ATOM 0 H LEU A 58 -0.747 -6.679 9.676 1.00 0.00 H new ATOM 0 HA LEU A 58 1.140 -6.760 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.394 -5.714 9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.128 -7.204 10.322 1.00 0.00 H new ATOM 0 HG LEU A 58 3.380 -8.457 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.681 -7.221 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.929 -7.005 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.897 -5.707 7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.611 -7.578 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.861 -6.079 9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.536 -7.626 10.581 1.00 0.00 H new ATOM 837 N GLY A 59 0.258 -9.076 7.432 1.00 0.00 N ATOM 838 CA GLY A 59 -0.117 -10.477 7.376 1.00 0.00 C ATOM 839 C GLY A 59 -0.404 -10.944 5.963 1.00 0.00 C ATOM 840 O GLY A 59 -0.256 -10.182 5.007 1.00 0.00 O ATOM 0 H GLY A 59 0.238 -8.590 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.685 -11.082 7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.999 -10.639 7.995 1.00 0.00 H new ATOM 844 N GLU A 60 -0.815 -12.201 5.829 1.00 0.00 N ATOM 845 CA GLU A 60 -1.124 -12.770 4.522 1.00 0.00 C ATOM 846 C GLU A 60 -2.524 -12.369 4.071 1.00 0.00 C ATOM 847 O GLU A 60 -3.494 -12.518 4.815 1.00 0.00 O ATOM 848 CB GLU A 60 -1.005 -14.294 4.565 1.00 0.00 C ATOM 849 CG GLU A 60 0.376 -14.786 4.968 1.00 0.00 C ATOM 850 CD GLU A 60 0.856 -15.943 4.114 1.00 0.00 C ATOM 851 OE1 GLU A 60 0.004 -16.722 3.639 1.00 0.00 O ATOM 852 OE2 GLU A 60 2.083 -16.070 3.922 1.00 0.00 O ATOM 0 H GLU A 60 -0.942 -12.845 6.610 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.405 -12.377 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.741 -14.688 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.253 -14.697 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.087 -13.963 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.357 -15.094 6.013 1.00 0.00 H new ATOM 859 N THR A 61 -2.623 -11.860 2.847 1.00 0.00 N ATOM 860 CA THR A 61 -3.907 -11.437 2.297 1.00 0.00 C ATOM 861 C THR A 61 -4.677 -12.629 1.735 1.00 0.00 C ATOM 862 O THR A 61 -4.195 -13.761 1.766 1.00 0.00 O ATOM 863 CB THR A 61 -3.694 -10.391 1.201 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.548 -10.700 0.429 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.521 -8.988 1.740 1.00 0.00 C ATOM 0 H THR A 61 -1.831 -11.730 2.218 1.00 0.00 H new ATOM 0 HA THR A 61 -4.493 -10.996 3.103 1.00 0.00 H new ATOM 0 HB THR A 61 -4.598 -10.420 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.005 -9.893 0.312 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.374 -8.295 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.411 -8.701 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.653 -8.956 2.398 1.00 0.00 H new ATOM 873 N ASP A 62 -5.875 -12.365 1.224 1.00 0.00 N ATOM 874 CA ASP A 62 -6.712 -13.416 0.656 1.00 0.00 C ATOM 875 C ASP A 62 -6.796 -13.284 -0.860 1.00 0.00 C ATOM 876 O ASP A 62 -6.881 -14.282 -1.576 1.00 0.00 O ATOM 877 CB ASP A 62 -8.115 -13.362 1.264 1.00 0.00 C ATOM 878 CG ASP A 62 -8.675 -14.742 1.549 1.00 0.00 C ATOM 879 OD1 ASP A 62 -8.421 -15.270 2.652 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.368 -15.294 0.669 1.00 0.00 O ATOM 0 H ASP A 62 -6.288 -11.433 1.191 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.257 -14.378 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.085 -12.787 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.783 -12.835 0.583 1.00 0.00 H new ATOM 885 N PHE A 63 -6.773 -12.046 -1.344 1.00 0.00 N ATOM 886 CA PHE A 63 -6.846 -11.784 -2.777 1.00 0.00 C ATOM 887 C PHE A 63 -5.559 -12.212 -3.475 1.00 0.00 C ATOM 888 O PHE A 63 -5.578 -12.630 -4.632 1.00 0.00 O ATOM 889 CB PHE A 63 -7.111 -10.300 -3.032 1.00 0.00 C ATOM 890 CG PHE A 63 -6.176 -9.387 -2.290 1.00 0.00 C ATOM 891 CD1 PHE A 63 -4.893 -9.155 -2.762 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.579 -8.762 -1.122 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.031 -8.317 -2.081 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.722 -7.922 -0.437 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.446 -7.699 -0.917 1.00 0.00 C ATOM 0 H PHE A 63 -6.704 -11.209 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.670 -12.368 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.027 -10.103 -4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.137 -10.068 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.564 -9.635 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.575 -8.933 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.034 -8.145 -2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.049 -7.440 0.473 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.774 -7.043 -0.384 1.00 0.00 H new ATOM 905 N ALA A 64 -4.441 -12.101 -2.764 1.00 0.00 N ATOM 906 CA ALA A 64 -3.145 -12.475 -3.315 1.00 0.00 C ATOM 907 C ALA A 64 -2.675 -13.812 -2.752 1.00 0.00 C ATOM 908 O ALA A 64 -3.385 -14.455 -1.979 1.00 0.00 O ATOM 909 CB ALA A 64 -2.118 -11.390 -3.031 1.00 0.00 C ATOM 0 H ALA A 64 -4.408 -11.755 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.254 -12.583 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.155 -11.683 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.442 -10.454 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.021 -11.254 -1.954 1.00 0.00 H new ATOM 915 N LYS A 65 -1.474 -14.224 -3.144 1.00 0.00 N ATOM 916 CA LYS A 65 -0.907 -15.486 -2.679 1.00 0.00 C ATOM 917 C LYS A 65 0.402 -15.263 -1.921 1.00 0.00 C ATOM 918 O LYS A 65 0.995 -16.209 -1.402 1.00 0.00 O ATOM 919 CB LYS A 65 -0.674 -16.429 -3.862 1.00 0.00 C ATOM 920 CG LYS A 65 -1.407 -17.754 -3.737 1.00 0.00 C ATOM 921 CD LYS A 65 -0.860 -18.588 -2.590 1.00 0.00 C ATOM 922 CE LYS A 65 -1.231 -20.054 -2.740 1.00 0.00 C ATOM 923 NZ LYS A 65 -1.551 -20.683 -1.429 1.00 0.00 N ATOM 0 H LYS A 65 -0.874 -13.703 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.621 -15.941 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.991 -15.933 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.395 -16.622 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.470 -17.570 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.315 -18.311 -4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.225 -18.488 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.249 -18.208 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.090 -20.145 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.406 -20.591 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.799 -21.682 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.724 -20.619 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.354 -20.187 -0.993 1.00 0.00 H new ATOM 937 N GLY A 66 0.850 -14.011 -1.858 1.00 0.00 N ATOM 938 CA GLY A 66 2.084 -13.701 -1.160 1.00 0.00 C ATOM 939 C GLY A 66 1.853 -12.858 0.078 1.00 0.00 C ATOM 940 O GLY A 66 0.719 -12.711 0.535 1.00 0.00 O ATOM 0 H GLY A 66 0.381 -13.208 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.581 -14.629 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.757 -13.173 -1.835 1.00 0.00 H new ATOM 944 N GLU A 67 2.930 -12.302 0.624 1.00 0.00 N ATOM 945 CA GLU A 67 2.839 -11.469 1.817 1.00 0.00 C ATOM 946 C GLU A 67 2.624 -10.006 1.445 1.00 0.00 C ATOM 947 O GLU A 67 3.431 -9.412 0.731 1.00 0.00 O ATOM 948 CB GLU A 67 4.106 -11.614 2.663 1.00 0.00 C ATOM 949 CG GLU A 67 3.833 -11.746 4.152 1.00 0.00 C ATOM 950 CD GLU A 67 4.806 -12.681 4.842 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.108 -13.751 4.271 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.267 -12.345 5.953 1.00 0.00 O ATOM 0 H GLU A 67 3.876 -12.414 0.259 1.00 0.00 H new ATOM 0 HA GLU A 67 1.981 -11.805 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.660 -12.490 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.746 -10.748 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.889 -10.762 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.817 -12.111 4.300 1.00 0.00 H new ATOM 959 N TRP A 68 1.529 -9.431 1.933 1.00 0.00 N ATOM 960 CA TRP A 68 1.207 -8.037 1.652 1.00 0.00 C ATOM 961 C TRP A 68 1.259 -7.197 2.924 1.00 0.00 C ATOM 962 O TRP A 68 0.954 -7.684 4.013 1.00 0.00 O ATOM 963 CB TRP A 68 -0.179 -7.930 1.014 1.00 0.00 C ATOM 964 CG TRP A 68 -0.217 -8.403 -0.407 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.244 -9.595 -0.887 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.744 -7.693 -1.534 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.035 -9.671 -2.243 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.570 -8.515 -2.663 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.349 -6.443 -1.698 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.977 -8.126 -3.938 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.752 -6.058 -2.962 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.565 -6.898 -4.068 1.00 0.00 C ATOM 0 H TRP A 68 0.850 -9.909 2.525 1.00 0.00 H new ATOM 0 HA TRP A 68 1.952 -7.653 0.955 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.888 -8.513 1.602 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.510 -6.892 1.053 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.706 -10.366 -0.288 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.289 -10.459 -2.839 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.499 -5.790 -0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.833 -8.771 -4.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -2.219 -5.094 -3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.892 -6.569 -5.043 1.00 0.00 H new ATOM 983 N CYS A 69 1.647 -5.935 2.780 1.00 0.00 N ATOM 984 CA CYS A 69 1.739 -5.027 3.918 1.00 0.00 C ATOM 985 C CYS A 69 0.647 -3.964 3.855 1.00 0.00 C ATOM 986 O CYS A 69 0.593 -3.170 2.916 1.00 0.00 O ATOM 987 CB CYS A 69 3.115 -4.360 3.956 1.00 0.00 C ATOM 988 SG CYS A 69 3.542 -3.642 5.559 1.00 0.00 S ATOM 0 H CYS A 69 1.903 -5.517 1.886 1.00 0.00 H new ATOM 0 HA CYS A 69 1.601 -5.610 4.828 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.872 -5.097 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.149 -3.577 3.198 1.00 0.00 H new ATOM 0 HG CYS A 69 4.486 -2.762 5.403 1.00 0.00 H new ATOM 994 N GLY A 70 -0.221 -3.955 4.861 1.00 0.00 N ATOM 995 CA GLY A 70 -1.300 -2.986 4.900 1.00 0.00 C ATOM 996 C GLY A 70 -0.832 -1.615 5.348 1.00 0.00 C ATOM 997 O GLY A 70 -0.925 -1.275 6.527 1.00 0.00 O ATOM 0 H GLY A 70 -0.196 -4.601 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.750 -2.908 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.078 -3.340 5.576 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.326 -0.827 4.405 1.00 0.00 N ATOM 1002 CA VAL A 71 0.158 0.514 4.709 1.00 0.00 C ATOM 1003 C VAL A 71 -0.934 1.556 4.490 1.00 0.00 C ATOM 1004 O VAL A 71 -1.581 1.582 3.444 1.00 0.00 O ATOM 1005 CB VAL A 71 1.379 0.879 3.845 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.991 2.192 4.311 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.410 -0.239 3.877 1.00 0.00 C ATOM 0 H VAL A 71 -0.241 -1.094 3.424 1.00 0.00 H new ATOM 0 HA VAL A 71 0.451 0.514 5.759 1.00 0.00 H new ATOM 0 HB VAL A 71 1.046 1.006 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.853 2.433 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.250 2.988 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.309 2.097 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.266 0.037 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.739 -0.401 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.965 -1.156 3.490 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.133 2.414 5.486 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.147 3.459 5.402 1.00 0.00 C ATOM 1019 C GLU A 72 -1.547 4.757 4.872 1.00 0.00 C ATOM 1020 O GLU A 72 -0.625 5.315 5.467 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.777 3.698 6.776 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.099 4.447 6.716 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.207 5.525 7.775 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.460 5.453 8.774 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -5.039 6.442 7.608 1.00 0.00 O ATOM 0 H GLU A 72 -0.606 2.406 6.359 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.920 3.127 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.935 2.737 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.078 4.261 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.212 4.899 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.919 3.739 6.838 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.076 5.232 3.749 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.593 6.465 3.139 1.00 0.00 C ATOM 1034 C LEU A 73 -2.115 7.686 3.891 1.00 0.00 C ATOM 1035 O LEU A 73 -3.255 7.701 4.354 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.022 6.534 1.672 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.824 5.241 0.878 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.540 5.323 -0.462 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.343 4.962 0.677 1.00 0.00 C ATOM 0 H LEU A 73 -2.839 4.782 3.243 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.504 6.466 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.075 6.811 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.463 7.332 1.183 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.255 4.417 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.388 4.395 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.606 5.476 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.139 6.157 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.220 4.039 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.112 5.787 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.143 4.860 1.647 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.273 8.707 4.007 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.648 9.932 4.701 1.00 0.00 C ATOM 1053 C ASP A 74 -2.586 10.778 3.844 1.00 0.00 C ATOM 1054 O ASP A 74 -3.465 11.466 4.362 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.402 10.741 5.065 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.499 11.366 6.442 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -1.098 10.736 7.339 1.00 0.00 O ATOM 1058 OD2 ASP A 74 0.024 12.485 6.624 1.00 0.00 O ATOM 0 H ASP A 74 -0.326 8.710 3.629 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.171 9.655 5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.473 10.093 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.252 11.525 4.323 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.391 10.719 2.531 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.219 11.478 1.601 1.00 0.00 C ATOM 1065 C GLU A 75 -4.432 10.662 1.161 1.00 0.00 C ATOM 1066 O GLU A 75 -4.407 9.431 1.195 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.398 11.894 0.378 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.267 12.854 0.706 1.00 0.00 C ATOM 1069 CD GLU A 75 -0.804 13.643 -0.504 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -1.667 14.209 -1.210 1.00 0.00 O ATOM 1071 OE2 GLU A 75 0.420 13.698 -0.745 1.00 0.00 O ATOM 0 H GLU A 75 -1.667 10.154 2.087 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.573 12.372 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.983 11.002 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.059 12.360 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.595 13.545 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.426 12.293 1.113 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.514 11.338 0.740 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.740 10.667 0.292 1.00 0.00 C ATOM 1080 C PRO A 76 -6.551 9.943 -1.038 1.00 0.00 C ATOM 1081 O PRO A 76 -7.195 10.273 -2.034 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.739 11.817 0.140 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.898 13.019 -0.112 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.630 12.807 0.667 1.00 0.00 C ATOM 0 HA PRO A 76 -7.062 9.896 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.428 11.636 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.343 11.938 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.688 13.133 -1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.408 13.927 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.771 13.253 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.688 13.255 1.659 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.662 8.955 -1.046 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.386 8.183 -2.253 1.00 0.00 C ATOM 1094 C LEU A 77 -5.772 6.717 -2.072 1.00 0.00 C ATOM 1095 O LEU A 77 -6.080 6.024 -3.043 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.904 8.289 -2.621 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.330 9.707 -2.595 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.826 9.669 -2.378 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.666 10.440 -3.884 1.00 0.00 C ATOM 0 H LEU A 77 -5.120 8.670 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.989 8.598 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.329 7.668 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.763 7.874 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.783 10.248 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.435 10.686 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.608 9.182 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.355 9.112 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.250 11.447 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.241 9.901 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.748 10.498 -3.998 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.754 6.248 -0.827 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.103 4.865 -0.548 1.00 0.00 C ATOM 1113 C GLY A 78 -7.447 4.472 -1.132 1.00 0.00 C ATOM 1114 O GLY A 78 -8.277 5.331 -1.431 1.00 0.00 O ATOM 0 H GLY A 78 -5.504 6.800 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.330 4.211 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.120 4.709 0.531 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.660 3.170 -1.298 1.00 0.00 N ATOM 1119 CA LYS A 79 -8.911 2.665 -1.852 1.00 0.00 C ATOM 1120 C LYS A 79 -9.509 1.582 -0.957 1.00 0.00 C ATOM 1121 O LYS A 79 -10.219 0.696 -1.431 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.682 2.110 -3.258 1.00 0.00 C ATOM 1123 CG LYS A 79 -7.880 3.038 -4.157 1.00 0.00 C ATOM 1124 CD LYS A 79 -7.013 2.260 -5.133 1.00 0.00 C ATOM 1125 CE LYS A 79 -7.617 2.245 -6.528 1.00 0.00 C ATOM 1126 NZ LYS A 79 -6.576 2.370 -7.585 1.00 0.00 N ATOM 0 H LYS A 79 -6.983 2.446 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.615 3.495 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.164 1.154 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.648 1.913 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.559 3.687 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.250 3.684 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.018 2.704 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.892 1.237 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.172 1.318 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.331 3.063 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.028 2.356 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.063 3.266 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.909 1.576 -7.511 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.217 1.660 0.338 1.00 0.00 N ATOM 1141 CA ASN A 80 -9.728 0.686 1.295 1.00 0.00 C ATOM 1142 C ASN A 80 -9.690 1.246 2.713 1.00 0.00 C ATOM 1143 O ASN A 80 -8.794 2.013 3.064 1.00 0.00 O ATOM 1144 CB ASN A 80 -8.913 -0.607 1.224 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.251 -1.436 0.000 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.405 -1.804 -0.217 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.240 -1.735 -0.809 1.00 0.00 N ATOM 0 H ASN A 80 -8.630 2.387 0.748 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.764 0.469 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.851 -0.364 1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.095 -1.198 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.406 -2.290 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.298 -1.409 -0.591 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.669 0.859 3.525 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.747 1.324 4.905 1.00 0.00 C ATOM 1156 C ASP A 81 -10.299 0.233 5.873 1.00 0.00 C ATOM 1157 O ASP A 81 -10.750 0.182 7.018 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.174 1.765 5.243 1.00 0.00 C ATOM 1159 CG ASP A 81 -12.820 2.561 4.125 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -12.094 2.986 3.201 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.053 2.760 4.173 1.00 0.00 O ATOM 0 H ASP A 81 -11.419 0.225 3.251 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.078 2.178 5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.781 0.885 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.158 2.368 6.151 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.411 -0.640 5.406 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.920 -1.716 6.245 1.00 0.00 C ATOM 1168 C GLY A 82 -9.832 -2.927 6.228 1.00 0.00 C ATOM 1169 O GLY A 82 -9.974 -3.619 7.237 1.00 0.00 O ATOM 0 H GLY A 82 -9.024 -0.621 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.925 -2.009 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.818 -1.356 7.269 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.451 -3.184 5.081 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.354 -4.318 4.937 1.00 0.00 C ATOM 1175 C ALA A 83 -11.466 -4.747 3.478 1.00 0.00 C ATOM 1176 O ALA A 83 -11.743 -3.930 2.599 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.728 -3.974 5.494 1.00 0.00 C ATOM 0 H ALA A 83 -10.343 -2.621 4.237 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.943 -5.153 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.392 -4.831 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.640 -3.722 6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.138 -3.122 4.951 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.249 -6.034 3.225 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.324 -6.570 1.872 1.00 0.00 C ATOM 1185 C VAL A 84 -12.024 -7.925 1.855 1.00 0.00 C ATOM 1186 O VAL A 84 -11.727 -8.799 2.670 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.923 -6.721 1.250 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -10.029 -7.090 -0.223 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.119 -5.443 1.430 1.00 0.00 C ATOM 0 H VAL A 84 -11.020 -6.724 3.940 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.901 -5.859 1.281 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.401 -7.527 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.029 -7.192 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.564 -8.034 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.570 -6.308 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.132 -5.568 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.635 -4.616 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.012 -5.227 2.493 1.00 0.00 H new ATOM 1199 N ALA A 85 -12.955 -8.092 0.921 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.700 -9.339 0.795 1.00 0.00 C ATOM 1201 C ALA A 85 -14.414 -9.692 2.096 1.00 0.00 C ATOM 1202 O ALA A 85 -14.705 -10.859 2.359 1.00 0.00 O ATOM 1203 CB ALA A 85 -12.767 -10.468 0.382 1.00 0.00 C ATOM 0 H ALA A 85 -13.212 -7.378 0.239 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.458 -9.203 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.335 -11.394 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.308 -10.228 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.989 -10.592 1.136 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.696 -8.678 2.908 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.375 -8.905 4.170 1.00 0.00 C ATOM 1211 C GLY A 86 -14.411 -9.037 5.333 1.00 0.00 C ATOM 1212 O GLY A 86 -14.766 -8.747 6.476 1.00 0.00 O ATOM 0 H GLY A 86 -14.466 -7.703 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.061 -8.080 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.977 -9.811 4.097 1.00 0.00 H new ATOM 1216 N THR A 87 -13.190 -9.475 5.044 1.00 0.00 N ATOM 1217 CA THR A 87 -12.175 -9.644 6.077 1.00 0.00 C ATOM 1218 C THR A 87 -11.609 -8.296 6.511 1.00 0.00 C ATOM 1219 O THR A 87 -11.067 -7.548 5.699 1.00 0.00 O ATOM 1220 CB THR A 87 -11.046 -10.544 5.569 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.529 -11.451 4.594 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.387 -11.352 6.664 1.00 0.00 C ATOM 0 H THR A 87 -12.880 -9.719 4.104 1.00 0.00 H new ATOM 0 HA THR A 87 -12.646 -10.114 6.940 1.00 0.00 H new ATOM 0 HB THR A 87 -10.304 -9.867 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.793 -12.016 4.280 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.596 -11.968 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.960 -10.678 7.407 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.129 -11.993 7.140 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.739 -7.993 7.799 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.241 -6.735 8.341 1.00 0.00 C ATOM 1232 C ARG A 88 -9.779 -6.864 8.759 1.00 0.00 C ATOM 1233 O ARG A 88 -9.389 -7.845 9.392 1.00 0.00 O ATOM 1234 CB ARG A 88 -12.090 -6.299 9.537 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.429 -4.816 9.535 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.911 -4.580 9.292 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.158 -3.332 8.573 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.340 -2.723 8.528 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -16.388 -3.242 9.158 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.478 -1.592 7.850 1.00 0.00 N ATOM 0 H ARG A 88 -12.185 -8.601 8.486 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.311 -5.978 7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.016 -6.875 9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.558 -6.540 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.142 -4.375 10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.848 -4.311 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.322 -5.414 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.436 -4.558 10.247 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.378 -2.902 8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.289 -4.113 9.680 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.291 -2.770 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.678 -1.189 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.384 -1.125 7.816 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.976 -5.868 8.399 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.558 -5.870 8.736 1.00 0.00 C ATOM 1256 C TYR A 89 -7.253 -4.837 9.815 1.00 0.00 C ATOM 1257 O TYR A 89 -6.955 -5.187 10.957 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.715 -5.588 7.491 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.805 -6.671 6.439 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.017 -6.978 5.832 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.679 -7.388 6.054 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.104 -7.967 4.871 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.758 -8.379 5.093 1.00 0.00 C ATOM 1264 CZ TYR A 89 -6.972 -8.665 4.505 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.055 -9.650 3.548 1.00 0.00 O ATOM 0 H TYR A 89 -9.284 -5.049 7.874 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.304 -6.857 9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.033 -4.642 7.054 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.673 -5.468 7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.906 -6.434 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.726 -7.168 6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.054 -8.192 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.873 -8.927 4.804 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.774 -9.434 2.918 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.332 -3.563 9.446 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.066 -2.477 10.382 1.00 0.00 C ATOM 1277 C PHE A 90 -8.037 -1.321 10.167 1.00 0.00 C ATOM 1278 O PHE A 90 -7.954 -0.606 9.169 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.626 -1.985 10.229 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.332 -1.400 8.877 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.309 -2.206 7.750 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.079 -0.046 8.734 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.040 -1.670 6.505 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -4.809 0.496 7.491 1.00 0.00 C ATOM 1285 CZ PHE A 90 -4.789 -0.318 6.376 1.00 0.00 C ATOM 0 H PHE A 90 -7.578 -3.257 8.505 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.206 -2.860 11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.424 -1.234 10.993 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.945 -2.816 10.412 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.503 -3.264 7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.093 0.594 9.604 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.026 -2.308 5.634 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.614 1.554 7.392 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.577 0.102 5.404 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.959 -1.146 11.108 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.947 -0.077 11.020 1.00 0.00 C ATOM 1297 C GLN A 91 -9.269 1.290 10.973 1.00 0.00 C ATOM 1298 O GLN A 91 -8.628 1.709 11.936 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.910 -0.146 12.208 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.342 -0.468 11.815 1.00 0.00 C ATOM 1301 CD GLN A 91 -13.147 0.770 11.477 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -14.081 1.133 12.193 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.789 1.427 10.380 1.00 0.00 N ATOM 0 H GLN A 91 -9.043 -1.730 11.940 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.511 -0.211 10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.556 -0.903 12.908 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.893 0.808 12.734 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.337 -1.139 10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.828 -1.001 12.632 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.009 1.091 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.294 2.268 10.101 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.417 1.978 9.846 1.00 0.00 N ATOM 1313 CA CYS A 92 -8.819 3.298 9.673 1.00 0.00 C ATOM 1314 C CYS A 92 -9.743 4.211 8.873 1.00 0.00 C ATOM 1315 O CYS A 92 -10.769 3.771 8.355 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.465 3.179 8.971 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.058 3.045 10.098 1.00 0.00 S ATOM 0 H CYS A 92 -9.945 1.645 9.039 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.670 3.736 10.660 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.481 2.304 8.321 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.322 4.049 8.331 1.00 0.00 H new ATOM 0 HG CYS A 92 -4.959 2.947 9.410 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.372 5.483 8.778 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.169 6.457 8.042 1.00 0.00 C ATOM 1325 C GLN A 93 -10.300 6.053 6.574 1.00 0.00 C ATOM 1326 O GLN A 93 -9.334 5.598 5.962 1.00 0.00 O ATOM 1327 CB GLN A 93 -9.536 7.847 8.145 1.00 0.00 C ATOM 1328 CG GLN A 93 -9.558 8.421 9.553 1.00 0.00 C ATOM 1329 CD GLN A 93 -10.951 8.818 9.999 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -11.877 8.006 9.983 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -11.108 10.075 10.400 1.00 0.00 N ATOM 0 H GLN A 93 -8.525 5.863 9.201 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.165 6.485 8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.504 7.794 7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.062 8.528 7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.154 7.685 10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.905 9.292 9.596 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.313 10.714 10.397 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.023 10.401 10.711 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.500 6.210 5.986 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.741 5.854 4.583 1.00 0.00 C ATOM 1342 C PRO A 94 -10.842 6.629 3.624 1.00 0.00 C ATOM 1343 O PRO A 94 -10.434 7.754 3.911 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.210 6.233 4.354 1.00 0.00 C ATOM 1345 CG PRO A 94 -13.812 6.294 5.716 1.00 0.00 C ATOM 1346 CD PRO A 94 -12.712 6.740 6.634 1.00 0.00 C ATOM 0 HA PRO A 94 -11.526 4.802 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.295 7.192 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.715 5.494 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.649 6.992 5.742 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.200 5.320 6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.678 7.826 6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.839 6.340 7.640 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.541 6.019 2.481 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.696 6.650 1.472 1.00 0.00 C ATOM 1356 C LYS A 95 -8.290 6.902 2.010 1.00 0.00 C ATOM 1357 O LYS A 95 -7.664 7.911 1.688 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.322 7.967 1.006 1.00 0.00 C ATOM 1359 CG LYS A 95 -10.515 8.048 -0.500 1.00 0.00 C ATOM 1360 CD LYS A 95 -11.964 8.331 -0.866 1.00 0.00 C ATOM 1361 CE LYS A 95 -12.870 7.170 -0.488 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.934 6.942 -1.503 1.00 0.00 N ATOM 0 H LYS A 95 -10.870 5.087 2.230 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.619 5.970 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.288 8.094 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.690 8.794 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.877 8.832 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.200 7.111 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.299 9.236 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.040 8.520 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.273 6.265 -0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.329 7.368 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.530 6.142 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.520 7.797 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.497 6.727 -2.422 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.797 5.976 2.825 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.462 6.100 3.401 1.00 0.00 C ATOM 1378 C TYR A 96 -5.768 4.743 3.464 1.00 0.00 C ATOM 1379 O TYR A 96 -4.608 4.611 3.077 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.540 6.713 4.800 1.00 0.00 C ATOM 1381 CG TYR A 96 -6.921 8.177 4.799 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.072 9.135 4.259 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.130 8.602 5.336 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.416 10.474 4.256 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.482 9.938 5.335 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.622 10.869 4.795 1.00 0.00 C ATOM 1387 OH TYR A 96 -7.968 12.201 4.793 1.00 0.00 O ATOM 0 H TYR A 96 -8.300 5.133 3.102 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.877 6.757 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.268 6.157 5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.574 6.598 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.127 8.829 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.806 7.875 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.744 11.206 3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.426 10.251 5.755 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.849 12.311 5.208 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.486 3.738 3.953 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.920 2.406 4.056 1.00 0.00 C ATOM 1399 C GLY A 97 -5.687 1.770 2.701 1.00 0.00 C ATOM 1400 O GLY A 97 -6.623 1.587 1.923 1.00 0.00 O ATOM 0 H GLY A 97 -7.449 3.822 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.975 2.457 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.589 1.774 4.640 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.433 1.432 2.416 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.079 0.813 1.143 1.00 0.00 C ATOM 1406 C LEU A 98 -3.281 -0.468 1.363 1.00 0.00 C ATOM 1407 O LEU A 98 -2.583 -0.611 2.367 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.271 1.789 0.284 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.879 1.263 -1.097 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.095 1.197 -2.008 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.797 2.138 -1.711 1.00 0.00 C ATOM 0 H LEU A 98 -3.646 1.576 3.049 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.003 0.559 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.851 2.703 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.364 2.059 0.824 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.482 0.254 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.797 0.820 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.839 0.529 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.522 2.194 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.529 1.750 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.168 3.158 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.917 2.134 -1.067 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.388 -1.395 0.417 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.676 -2.665 0.506 1.00 0.00 C ATOM 1425 C PHE A 99 -1.717 -2.833 -0.667 1.00 0.00 C ATOM 1426 O PHE A 99 -2.116 -2.739 -1.827 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.669 -3.828 0.539 1.00 0.00 C ATOM 1428 CG PHE A 99 -4.311 -4.033 1.881 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.673 -4.775 2.863 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -5.552 -3.485 2.161 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -4.260 -4.966 4.098 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -6.145 -3.672 3.396 1.00 0.00 C ATOM 1433 CZ PHE A 99 -5.497 -4.414 4.366 1.00 0.00 C ATOM 0 H PHE A 99 -3.961 -1.291 -0.420 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.096 -2.665 1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.447 -3.651 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.153 -4.743 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.705 -5.209 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.062 -2.905 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.752 -5.547 4.854 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.113 -3.239 3.603 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.957 -4.562 5.332 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.448 -3.084 -0.357 1.00 0.00 N ATOM 1444 CA ALA A 100 0.567 -3.266 -1.387 1.00 0.00 C ATOM 1445 C ALA A 100 1.511 -4.413 -1.033 1.00 0.00 C ATOM 1446 O ALA A 100 1.823 -4.629 0.138 1.00 0.00 O ATOM 1447 CB ALA A 100 1.351 -1.978 -1.587 1.00 0.00 C ATOM 0 H ALA A 100 -0.100 -3.166 0.598 1.00 0.00 H new ATOM 0 HA ALA A 100 0.062 -3.521 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.106 -2.128 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.672 -1.182 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.838 -1.700 -0.652 1.00 0.00 H new ATOM 1453 N PRO A 101 1.982 -5.167 -2.043 1.00 0.00 N ATOM 1454 CA PRO A 101 2.895 -6.293 -1.823 1.00 0.00 C ATOM 1455 C PRO A 101 4.200 -5.855 -1.168 1.00 0.00 C ATOM 1456 O PRO A 101 4.790 -4.845 -1.555 1.00 0.00 O ATOM 1457 CB PRO A 101 3.165 -6.833 -3.233 1.00 0.00 C ATOM 1458 CG PRO A 101 2.071 -6.290 -4.085 1.00 0.00 C ATOM 1459 CD PRO A 101 1.665 -4.983 -3.468 1.00 0.00 C ATOM 0 HA PRO A 101 2.464 -7.034 -1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.141 -6.511 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.165 -7.923 -3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.412 -6.147 -5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.228 -6.980 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.217 -4.147 -3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.605 -4.778 -3.621 1.00 0.00 H new ATOM 1467 N VAL A 102 4.647 -6.618 -0.176 1.00 0.00 N ATOM 1468 CA VAL A 102 5.884 -6.304 0.532 1.00 0.00 C ATOM 1469 C VAL A 102 7.052 -6.153 -0.440 1.00 0.00 C ATOM 1470 O VAL A 102 7.810 -5.185 -0.367 1.00 0.00 O ATOM 1471 CB VAL A 102 6.232 -7.388 1.570 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.233 -7.367 2.718 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.277 -8.762 0.919 1.00 0.00 C ATOM 0 H VAL A 102 4.172 -7.457 0.156 1.00 0.00 H new ATOM 0 HA VAL A 102 5.719 -5.358 1.049 1.00 0.00 H new ATOM 0 HB VAL A 102 7.221 -7.172 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.494 -8.139 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.257 -6.391 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.231 -7.555 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.524 -9.512 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.304 -8.991 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.035 -8.769 0.136 1.00 0.00 H new ATOM 1483 N HIS A 103 7.190 -7.113 -1.350 1.00 0.00 N ATOM 1484 CA HIS A 103 8.265 -7.082 -2.335 1.00 0.00 C ATOM 1485 C HIS A 103 8.219 -5.796 -3.155 1.00 0.00 C ATOM 1486 O HIS A 103 9.241 -5.335 -3.661 1.00 0.00 O ATOM 1487 CB HIS A 103 8.172 -8.296 -3.263 1.00 0.00 C ATOM 1488 CG HIS A 103 6.889 -8.368 -4.031 1.00 0.00 C ATOM 1489 ND1 HIS A 103 6.770 -8.029 -5.360 1.00 0.00 N ATOM 1490 CD2 HIS A 103 5.651 -8.756 -3.631 1.00 0.00 C ATOM 1491 CE1 HIS A 103 5.493 -8.217 -5.720 1.00 0.00 C ATOM 1492 NE2 HIS A 103 4.772 -8.658 -4.707 1.00 0.00 N ATOM 0 H HIS A 103 6.572 -7.921 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 103 9.213 -7.115 -1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.005 -8.270 -3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.282 -9.204 -2.671 1.00 0.00 H new ATOM 0 HD1 HIS A 103 7.521 -7.694 -5.964 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.389 -9.088 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.105 -8.032 -6.711 1.00 0.00 H new ATOM 1500 N LYS A 104 7.027 -5.221 -3.280 1.00 0.00 N ATOM 1501 CA LYS A 104 6.850 -3.987 -4.035 1.00 0.00 C ATOM 1502 C LYS A 104 7.095 -2.766 -3.152 1.00 0.00 C ATOM 1503 O LYS A 104 7.427 -1.688 -3.646 1.00 0.00 O ATOM 1504 CB LYS A 104 5.441 -3.928 -4.634 1.00 0.00 C ATOM 1505 CG LYS A 104 5.427 -3.964 -6.154 1.00 0.00 C ATOM 1506 CD LYS A 104 4.407 -4.961 -6.681 1.00 0.00 C ATOM 1507 CE LYS A 104 4.427 -5.029 -8.199 1.00 0.00 C ATOM 1508 NZ LYS A 104 3.342 -5.899 -8.731 1.00 0.00 N ATOM 0 H LYS A 104 6.170 -5.590 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 104 7.581 -3.977 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.857 -4.766 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.949 -3.016 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.199 -2.971 -6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.419 -4.228 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.615 -5.948 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.411 -4.678 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.320 -4.025 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.393 -5.408 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.391 -5.919 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.458 -6.864 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.419 -5.523 -8.435 1.00 0.00 H new ATOM 1522 N VAL A 105 6.931 -2.940 -1.844 1.00 0.00 N ATOM 1523 CA VAL A 105 7.135 -1.851 -0.897 1.00 0.00 C ATOM 1524 C VAL A 105 8.621 -1.605 -0.655 1.00 0.00 C ATOM 1525 O VAL A 105 9.375 -2.535 -0.365 1.00 0.00 O ATOM 1526 CB VAL A 105 6.449 -2.139 0.452 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.498 -0.911 1.349 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.013 -2.594 0.234 1.00 0.00 C ATOM 0 H VAL A 105 6.657 -3.825 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 105 6.687 -0.961 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 105 6.989 -2.945 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.009 -1.133 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.537 -0.636 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.984 -0.083 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.544 -2.793 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.458 -1.812 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.007 -3.503 -0.367 1.00 0.00 H new ATOM 1538 N THR A 106 9.036 -0.349 -0.776 1.00 0.00 N ATOM 1539 CA THR A 106 10.433 0.017 -0.569 1.00 0.00 C ATOM 1540 C THR A 106 10.643 0.592 0.828 1.00 0.00 C ATOM 1541 O THR A 106 10.043 1.603 1.192 1.00 0.00 O ATOM 1542 CB THR A 106 10.876 1.034 -1.623 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.625 0.544 -2.928 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.346 1.382 -1.536 1.00 0.00 C ATOM 0 H THR A 106 8.426 0.432 -1.016 1.00 0.00 H new ATOM 0 HA THR A 106 11.038 -0.885 -0.666 1.00 0.00 H new ATOM 0 HB THR A 106 10.294 1.933 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.913 1.209 -3.588 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.595 2.107 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.561 1.809 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.942 0.481 -1.678 1.00 0.00 H new ATOM 1552 N LYS A 107 11.500 -0.059 1.608 1.00 0.00 N ATOM 1553 CA LYS A 107 11.790 0.388 2.966 1.00 0.00 C ATOM 1554 C LYS A 107 12.539 1.716 2.951 1.00 0.00 C ATOM 1555 O LYS A 107 13.504 1.889 2.206 1.00 0.00 O ATOM 1556 CB LYS A 107 12.611 -0.667 3.708 1.00 0.00 C ATOM 1557 CG LYS A 107 12.834 -0.342 5.176 1.00 0.00 C ATOM 1558 CD LYS A 107 13.240 -1.576 5.966 1.00 0.00 C ATOM 1559 CE LYS A 107 14.290 -1.247 7.014 1.00 0.00 C ATOM 1560 NZ LYS A 107 13.766 -0.314 8.050 1.00 0.00 N ATOM 0 H LYS A 107 12.006 -0.898 1.323 1.00 0.00 H new ATOM 0 HA LYS A 107 10.843 0.531 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.106 -1.630 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.578 -0.774 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.608 0.420 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.921 0.078 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.362 -2.004 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.629 -2.333 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.628 -2.167 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.159 -0.801 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.507 -0.127 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.483 0.580 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.942 -0.742 8.518 1.00 0.00 H new ATOM 1574 N ILE A 108 12.089 2.652 3.781 1.00 0.00 N ATOM 1575 CA ILE A 108 12.717 3.964 3.865 1.00 0.00 C ATOM 1576 C ILE A 108 12.984 4.354 5.314 1.00 0.00 C ATOM 1577 O ILE A 108 12.066 4.716 6.050 1.00 0.00 O ATOM 1578 CB ILE A 108 11.843 5.049 3.206 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.397 4.939 3.695 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.906 4.933 1.691 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.745 6.277 3.961 1.00 0.00 C ATOM 0 H ILE A 108 11.292 2.525 4.405 1.00 0.00 H new ATOM 0 HA ILE A 108 13.664 3.896 3.329 1.00 0.00 H new ATOM 0 HB ILE A 108 12.229 6.027 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.811 4.400 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.375 4.345 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.284 5.706 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.937 5.058 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.543 3.952 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.722 6.122 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.308 6.810 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.734 6.865 3.043 1.00 0.00 H new