USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 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= -0.0234 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.396 (180deg=-0.538) USER MOD Single : A 61 THR OG1 : rot -137:sc= 1.2 USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= -0.213 (180deg=-0.928) USER MOD Single : A 69 CYS SG : rot 180:sc= -3.36! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.227 K(o=-0.23,f=-8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.56) USER MOD Single : A 92 CYS SG : rot 38:sc= 0.259 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 95 LYS NZ :NH3+ 170:sc= -0.108 (180deg=-0.29) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -6.17! C(o=-6.2!,f=-7.2!) USER MOD Single : A 104 LYS NZ :NH3+ -148:sc= -0.208 (180deg=-1.02) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 125:sc= -0.158 (180deg=-0.733) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 10.181 -5.749 7.240 1.00 0.00 N ATOM 522 CA LEU A 39 9.658 -4.496 7.772 1.00 0.00 C ATOM 523 C LEU A 39 9.098 -4.694 9.177 1.00 0.00 C ATOM 524 O LEU A 39 9.239 -5.765 9.767 1.00 0.00 O ATOM 525 CB LEU A 39 8.569 -3.941 6.852 1.00 0.00 C ATOM 526 CG LEU A 39 8.911 -3.963 5.358 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.950 -4.865 4.599 1.00 0.00 C ATOM 528 CD2 LEU A 39 8.886 -2.554 4.782 1.00 0.00 C ATOM 0 HA LEU A 39 10.480 -3.782 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.655 -4.514 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.355 -2.913 7.145 1.00 0.00 H new ATOM 0 HG LEU A 39 9.918 -4.364 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.211 -4.866 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.018 -5.880 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.932 -4.496 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.131 -2.590 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.892 -2.126 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.617 -1.935 5.302 1.00 0.00 H new ATOM 540 N LYS A 40 8.463 -3.653 9.707 1.00 0.00 N ATOM 541 CA LYS A 40 7.882 -3.712 11.043 1.00 0.00 C ATOM 542 C LYS A 40 6.758 -2.692 11.192 1.00 0.00 C ATOM 543 O LYS A 40 6.683 -1.722 10.438 1.00 0.00 O ATOM 544 CB LYS A 40 8.957 -3.462 12.102 1.00 0.00 C ATOM 545 CG LYS A 40 9.840 -2.262 11.801 1.00 0.00 C ATOM 546 CD LYS A 40 11.092 -2.262 12.662 1.00 0.00 C ATOM 547 CE LYS A 40 12.031 -1.131 12.279 1.00 0.00 C ATOM 548 NZ LYS A 40 12.993 -0.812 13.370 1.00 0.00 N ATOM 0 H LYS A 40 8.338 -2.759 9.232 1.00 0.00 H new ATOM 0 HA LYS A 40 7.466 -4.709 11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.476 -3.315 13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.583 -4.350 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.121 -2.271 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.279 -1.344 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.813 -2.165 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.608 -3.216 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.581 -1.406 11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.448 -0.242 12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.615 -0.035 13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.469 -0.525 14.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.567 -1.653 13.583 1.00 0.00 H new ATOM 562 N ILE A 41 5.885 -2.918 12.168 1.00 0.00 N ATOM 563 CA ILE A 41 4.765 -2.017 12.415 1.00 0.00 C ATOM 564 C ILE A 41 5.240 -0.703 13.025 1.00 0.00 C ATOM 565 O ILE A 41 5.952 -0.694 14.028 1.00 0.00 O ATOM 566 CB ILE A 41 3.724 -2.659 13.354 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.357 -4.060 12.862 1.00 0.00 C ATOM 568 CG2 ILE A 41 2.484 -1.784 13.448 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.727 -4.073 11.486 1.00 0.00 C ATOM 0 H ILE A 41 5.931 -3.717 12.801 1.00 0.00 H new ATOM 0 HA ILE A 41 4.300 -1.819 11.449 1.00 0.00 H new ATOM 0 HB ILE A 41 4.160 -2.746 14.349 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.255 -4.678 12.847 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.668 -4.517 13.572 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.759 -2.251 14.114 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.759 -0.805 13.840 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.044 -1.668 12.457 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.493 -5.099 11.202 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.811 -3.483 11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.423 -3.646 10.763 1.00 0.00 H new ATOM 581 N GLY A 42 4.841 0.406 12.409 1.00 0.00 N ATOM 582 CA GLY A 42 5.236 1.712 12.905 1.00 0.00 C ATOM 583 C GLY A 42 6.213 2.411 11.980 1.00 0.00 C ATOM 584 O GLY A 42 6.259 3.641 11.931 1.00 0.00 O ATOM 0 H GLY A 42 4.252 0.423 11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.349 2.334 13.029 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.689 1.602 13.890 1.00 0.00 H new ATOM 588 N ASP A 43 6.995 1.627 11.246 1.00 0.00 N ATOM 589 CA ASP A 43 7.975 2.179 10.318 1.00 0.00 C ATOM 590 C ASP A 43 7.289 2.794 9.103 1.00 0.00 C ATOM 591 O ASP A 43 6.206 2.365 8.706 1.00 0.00 O ATOM 592 CB ASP A 43 8.952 1.091 9.869 1.00 0.00 C ATOM 593 CG ASP A 43 10.157 1.658 9.145 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.512 2.827 9.407 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.746 0.934 8.315 1.00 0.00 O ATOM 0 H ASP A 43 6.969 0.608 11.276 1.00 0.00 H new ATOM 0 HA ASP A 43 8.527 2.963 10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.287 0.526 10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.435 0.390 9.214 1.00 0.00 H new ATOM 600 N ARG A 44 7.926 3.802 8.517 1.00 0.00 N ATOM 601 CA ARG A 44 7.377 4.477 7.347 1.00 0.00 C ATOM 602 C ARG A 44 7.966 3.904 6.062 1.00 0.00 C ATOM 603 O ARG A 44 9.173 3.677 5.967 1.00 0.00 O ATOM 604 CB ARG A 44 7.653 5.980 7.423 1.00 0.00 C ATOM 605 CG ARG A 44 6.556 6.764 8.127 1.00 0.00 C ATOM 606 CD ARG A 44 6.998 8.186 8.438 1.00 0.00 C ATOM 607 NE ARG A 44 7.221 8.391 9.867 1.00 0.00 N ATOM 608 CZ ARG A 44 7.917 9.407 10.372 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.460 10.312 9.566 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.071 9.518 11.683 1.00 0.00 N ATOM 0 H ARG A 44 8.823 4.170 8.833 1.00 0.00 H new ATOM 0 HA ARG A 44 6.299 4.313 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.596 6.142 7.945 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.776 6.370 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.665 6.788 7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.281 6.257 9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.915 8.408 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.241 8.886 8.085 1.00 0.00 H new ATOM 0 HE ARG A 44 6.819 7.715 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.344 10.230 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.993 11.089 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.656 8.825 12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.604 10.297 12.070 1.00 0.00 H new ATOM 624 N VAL A 45 7.107 3.674 5.074 1.00 0.00 N ATOM 625 CA VAL A 45 7.543 3.127 3.795 1.00 0.00 C ATOM 626 C VAL A 45 6.926 3.895 2.631 1.00 0.00 C ATOM 627 O VAL A 45 6.103 4.788 2.830 1.00 0.00 O ATOM 628 CB VAL A 45 7.172 1.637 3.664 1.00 0.00 C ATOM 629 CG1 VAL A 45 8.031 0.790 4.591 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.693 1.428 3.954 1.00 0.00 C ATOM 0 H VAL A 45 6.106 3.858 5.135 1.00 0.00 H new ATOM 0 HA VAL A 45 8.628 3.228 3.762 1.00 0.00 H new ATOM 0 HB VAL A 45 7.365 1.321 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.755 -0.259 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.082 0.917 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.872 1.105 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.449 0.370 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.471 1.760 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.098 2.004 3.245 1.00 0.00 H new ATOM 640 N LEU A 46 7.331 3.542 1.415 1.00 0.00 N ATOM 641 CA LEU A 46 6.819 4.198 0.218 1.00 0.00 C ATOM 642 C LEU A 46 6.695 3.207 -0.935 1.00 0.00 C ATOM 643 O LEU A 46 7.469 2.255 -1.034 1.00 0.00 O ATOM 644 CB LEU A 46 7.734 5.356 -0.187 1.00 0.00 C ATOM 645 CG LEU A 46 7.232 6.199 -1.359 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.299 7.296 -0.868 1.00 0.00 C ATOM 647 CD2 LEU A 46 8.403 6.797 -2.124 1.00 0.00 C ATOM 0 H LEU A 46 8.012 2.805 1.233 1.00 0.00 H new ATOM 0 HA LEU A 46 5.828 4.590 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.873 6.007 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.714 4.952 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 46 6.673 5.551 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.952 7.885 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.443 6.847 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.832 7.942 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.028 7.394 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.988 7.430 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.034 5.996 -2.509 1.00 0.00 H new ATOM 659 N VAL A 47 5.715 3.436 -1.804 1.00 0.00 N ATOM 660 CA VAL A 47 5.490 2.564 -2.948 1.00 0.00 C ATOM 661 C VAL A 47 5.070 3.368 -4.176 1.00 0.00 C ATOM 662 O VAL A 47 4.125 4.154 -4.122 1.00 0.00 O ATOM 663 CB VAL A 47 4.414 1.504 -2.643 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.076 2.164 -2.345 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.287 0.519 -3.798 1.00 0.00 C ATOM 0 H VAL A 47 5.065 4.219 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 47 6.434 2.060 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 47 4.722 0.950 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.331 1.397 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.178 2.820 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.758 2.749 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.522 -0.221 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.006 1.055 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.242 0.017 -3.955 1.00 0.00 H new ATOM 675 N GLY A 48 5.779 3.163 -5.281 1.00 0.00 N ATOM 676 CA GLY A 48 5.464 3.876 -6.506 1.00 0.00 C ATOM 677 C GLY A 48 6.312 5.120 -6.687 1.00 0.00 C ATOM 678 O GLY A 48 6.727 5.440 -7.801 1.00 0.00 O ATOM 0 H GLY A 48 6.565 2.517 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.612 3.212 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.411 4.156 -6.499 1.00 0.00 H new ATOM 682 N GLY A 49 6.567 5.824 -5.589 1.00 0.00 N ATOM 683 CA GLY A 49 7.370 7.033 -5.651 1.00 0.00 C ATOM 684 C GLY A 49 6.565 8.280 -5.345 1.00 0.00 C ATOM 685 O GLY A 49 6.898 9.370 -5.808 1.00 0.00 O ATOM 0 H GLY A 49 6.232 5.580 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.195 6.954 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.810 7.123 -6.644 1.00 0.00 H new ATOM 689 N THR A 50 5.502 8.120 -4.562 1.00 0.00 N ATOM 690 CA THR A 50 4.647 9.243 -4.194 1.00 0.00 C ATOM 691 C THR A 50 3.733 8.871 -3.031 1.00 0.00 C ATOM 692 O THR A 50 3.573 9.639 -2.083 1.00 0.00 O ATOM 693 CB THR A 50 3.811 9.693 -5.395 1.00 0.00 C ATOM 694 OG1 THR A 50 3.784 8.688 -6.394 1.00 0.00 O ATOM 695 CG2 THR A 50 4.324 10.964 -6.038 1.00 0.00 C ATOM 0 H THR A 50 5.213 7.224 -4.170 1.00 0.00 H new ATOM 0 HA THR A 50 5.287 10.067 -3.880 1.00 0.00 H new ATOM 0 HB THR A 50 2.814 9.881 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.244 8.995 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.687 11.227 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.311 11.773 -5.307 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.344 10.808 -6.388 1.00 0.00 H new ATOM 703 N LYS A 51 3.134 7.687 -3.112 1.00 0.00 N ATOM 704 CA LYS A 51 2.236 7.212 -2.066 1.00 0.00 C ATOM 705 C LYS A 51 3.016 6.816 -0.817 1.00 0.00 C ATOM 706 O LYS A 51 3.598 5.733 -0.755 1.00 0.00 O ATOM 707 CB LYS A 51 1.416 6.022 -2.569 1.00 0.00 C ATOM 708 CG LYS A 51 0.237 6.421 -3.441 1.00 0.00 C ATOM 709 CD LYS A 51 -0.627 5.221 -3.792 1.00 0.00 C ATOM 710 CE LYS A 51 -1.251 5.368 -5.171 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.353 6.368 -5.178 1.00 0.00 N ATOM 0 H LYS A 51 3.254 7.039 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 51 1.559 8.026 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.067 5.356 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.049 5.456 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.366 7.165 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.601 6.888 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.023 4.314 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.413 5.107 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.485 5.667 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.635 4.403 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.649 6.551 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.160 5.999 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.021 7.254 -4.745 1.00 0.00 H new ATOM 725 N ALA A 52 3.024 7.700 0.175 1.00 0.00 N ATOM 726 CA ALA A 52 3.733 7.442 1.422 1.00 0.00 C ATOM 727 C ALA A 52 2.757 7.185 2.565 1.00 0.00 C ATOM 728 O ALA A 52 1.764 7.895 2.718 1.00 0.00 O ATOM 729 CB ALA A 52 4.648 8.609 1.760 1.00 0.00 C ATOM 0 H ALA A 52 2.547 8.601 0.139 1.00 0.00 H new ATOM 0 HA ALA A 52 4.339 6.546 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.171 8.403 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.375 8.745 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.055 9.517 1.870 1.00 0.00 H new ATOM 735 N GLY A 53 3.045 6.163 3.364 1.00 0.00 N ATOM 736 CA GLY A 53 2.184 5.830 4.482 1.00 0.00 C ATOM 737 C GLY A 53 2.929 5.131 5.602 1.00 0.00 C ATOM 738 O GLY A 53 4.146 4.957 5.533 1.00 0.00 O ATOM 0 H GLY A 53 3.860 5.559 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.727 6.741 4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.374 5.189 4.134 1.00 0.00 H new ATOM 742 N VAL A 54 2.198 4.730 6.637 1.00 0.00 N ATOM 743 CA VAL A 54 2.797 4.046 7.776 1.00 0.00 C ATOM 744 C VAL A 54 2.269 2.621 7.901 1.00 0.00 C ATOM 745 O VAL A 54 1.078 2.371 7.712 1.00 0.00 O ATOM 746 CB VAL A 54 2.523 4.800 9.091 1.00 0.00 C ATOM 747 CG1 VAL A 54 3.319 4.186 10.234 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.849 6.277 8.937 1.00 0.00 C ATOM 0 H VAL A 54 1.190 4.867 6.710 1.00 0.00 H new ATOM 0 HA VAL A 54 3.872 4.018 7.599 1.00 0.00 H new ATOM 0 HB VAL A 54 1.463 4.709 9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.113 4.731 11.155 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.031 3.142 10.358 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.384 4.244 10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.649 6.794 9.876 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.901 6.392 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.231 6.706 8.148 1.00 0.00 H new ATOM 758 N VAL A 55 3.161 1.690 8.222 1.00 0.00 N ATOM 759 CA VAL A 55 2.785 0.289 8.373 1.00 0.00 C ATOM 760 C VAL A 55 1.823 0.104 9.541 1.00 0.00 C ATOM 761 O VAL A 55 2.127 0.473 10.675 1.00 0.00 O ATOM 762 CB VAL A 55 4.021 -0.604 8.592 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.627 -2.073 8.590 1.00 0.00 C ATOM 764 CG2 VAL A 55 5.077 -0.328 7.533 1.00 0.00 C ATOM 0 H VAL A 55 4.150 1.880 8.383 1.00 0.00 H new ATOM 0 HA VAL A 55 2.292 -0.009 7.448 1.00 0.00 H new ATOM 0 HB VAL A 55 4.447 -0.366 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.514 -2.688 8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.911 -2.259 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.174 -2.327 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.942 -0.969 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.664 -0.534 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.383 0.717 7.588 1.00 0.00 H new ATOM 774 N ARG A 56 0.659 -0.471 9.256 1.00 0.00 N ATOM 775 CA ARG A 56 -0.350 -0.708 10.283 1.00 0.00 C ATOM 776 C ARG A 56 -0.598 -2.200 10.469 1.00 0.00 C ATOM 777 O ARG A 56 -0.608 -2.703 11.592 1.00 0.00 O ATOM 778 CB ARG A 56 -1.657 -0.003 9.914 1.00 0.00 C ATOM 779 CG ARG A 56 -1.508 1.498 9.730 1.00 0.00 C ATOM 780 CD ARG A 56 -1.916 2.257 10.983 1.00 0.00 C ATOM 781 NE ARG A 56 -1.331 3.595 11.028 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.379 4.391 12.093 1.00 0.00 C ATOM 783 NH1 ARG A 56 -1.983 3.987 13.205 1.00 0.00 N ATOM 784 NH2 ARG A 56 -0.821 5.593 12.050 1.00 0.00 N ATOM 0 H ARG A 56 0.391 -0.782 8.322 1.00 0.00 H new ATOM 0 HA ARG A 56 0.022 -0.301 11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.046 -0.437 8.993 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.395 -0.194 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.473 1.734 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.120 1.825 8.890 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.003 2.335 11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.605 1.696 11.864 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.857 3.940 10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.413 3.063 13.245 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.017 4.601 14.019 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.354 5.908 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.859 6.202 12.867 1.00 0.00 H new ATOM 798 N PHE A 57 -0.800 -2.904 9.359 1.00 0.00 N ATOM 799 CA PHE A 57 -1.049 -4.340 9.399 1.00 0.00 C ATOM 800 C PHE A 57 -0.042 -5.091 8.532 1.00 0.00 C ATOM 801 O PHE A 57 0.416 -4.579 7.512 1.00 0.00 O ATOM 802 CB PHE A 57 -2.471 -4.645 8.928 1.00 0.00 C ATOM 803 CG PHE A 57 -2.925 -6.040 9.251 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.683 -7.083 8.371 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.594 -6.309 10.434 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.099 -8.367 8.666 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.012 -7.591 10.735 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.765 -8.621 9.849 1.00 0.00 C ATOM 0 H PHE A 57 -0.796 -2.503 8.421 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.935 -4.675 10.430 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.157 -3.933 9.387 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.528 -4.494 7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.163 -6.890 7.444 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.791 -5.507 11.130 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.904 -9.171 7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.531 -7.787 11.662 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.092 -9.624 10.081 1.00 0.00 H new ATOM 818 N LEU A 58 0.296 -6.308 8.948 1.00 0.00 N ATOM 819 CA LEU A 58 1.247 -7.129 8.209 1.00 0.00 C ATOM 820 C LEU A 58 0.810 -8.590 8.195 1.00 0.00 C ATOM 821 O LEU A 58 0.826 -9.263 9.225 1.00 0.00 O ATOM 822 CB LEU A 58 2.642 -7.009 8.825 1.00 0.00 C ATOM 823 CG LEU A 58 3.736 -7.809 8.114 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.998 -7.239 6.728 1.00 0.00 C ATOM 825 CD2 LEU A 58 5.013 -7.815 8.940 1.00 0.00 C ATOM 0 H LEU A 58 -0.074 -6.746 9.791 1.00 0.00 H new ATOM 0 HA LEU A 58 1.278 -6.768 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.929 -5.958 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.593 -7.334 9.864 1.00 0.00 H new ATOM 0 HG LEU A 58 3.394 -8.838 8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.779 -7.820 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.084 -7.287 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.319 -6.201 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.780 -8.388 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.359 -6.791 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.816 -8.270 9.911 1.00 0.00 H new ATOM 837 N GLY A 59 0.419 -9.074 7.021 1.00 0.00 N ATOM 838 CA GLY A 59 -0.019 -10.452 6.896 1.00 0.00 C ATOM 839 C GLY A 59 -0.504 -10.782 5.498 1.00 0.00 C ATOM 840 O GLY A 59 -0.377 -9.970 4.581 1.00 0.00 O ATOM 0 H GLY A 59 0.398 -8.537 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.804 -11.117 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.821 -10.641 7.610 1.00 0.00 H new ATOM 844 N GLU A 60 -1.061 -11.978 5.334 1.00 0.00 N ATOM 845 CA GLU A 60 -1.566 -12.414 4.038 1.00 0.00 C ATOM 846 C GLU A 60 -2.800 -11.612 3.637 1.00 0.00 C ATOM 847 O GLU A 60 -3.334 -10.838 4.432 1.00 0.00 O ATOM 848 CB GLU A 60 -1.904 -13.906 4.074 1.00 0.00 C ATOM 849 CG GLU A 60 -0.685 -14.808 3.970 1.00 0.00 C ATOM 850 CD GLU A 60 -1.054 -16.261 3.744 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.270 -16.981 4.741 1.00 0.00 O ATOM 852 OE2 GLU A 60 -1.127 -16.679 2.569 1.00 0.00 O ATOM 0 H GLU A 60 -1.174 -12.662 6.082 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.786 -12.243 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.432 -14.128 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.586 -14.135 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.053 -14.466 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.096 -14.724 4.883 1.00 0.00 H new ATOM 859 N THR A 61 -3.248 -11.803 2.400 1.00 0.00 N ATOM 860 CA THR A 61 -4.420 -11.097 1.894 1.00 0.00 C ATOM 861 C THR A 61 -5.445 -12.079 1.335 1.00 0.00 C ATOM 862 O THR A 61 -5.269 -13.293 1.424 1.00 0.00 O ATOM 863 CB THR A 61 -4.009 -10.096 0.813 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.801 -10.496 0.191 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.808 -8.692 1.342 1.00 0.00 C ATOM 0 H THR A 61 -2.818 -12.440 1.730 1.00 0.00 H new ATOM 0 HA THR A 61 -4.877 -10.557 2.723 1.00 0.00 H new ATOM 0 HB THR A 61 -4.835 -10.085 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.221 -9.715 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.518 -8.033 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.737 -8.333 1.785 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.024 -8.697 2.099 1.00 0.00 H new ATOM 873 N ASP A 62 -6.516 -11.543 0.757 1.00 0.00 N ATOM 874 CA ASP A 62 -7.570 -12.371 0.183 1.00 0.00 C ATOM 875 C ASP A 62 -7.665 -12.162 -1.325 1.00 0.00 C ATOM 876 O ASP A 62 -7.852 -13.112 -2.083 1.00 0.00 O ATOM 877 CB ASP A 62 -8.913 -12.050 0.840 1.00 0.00 C ATOM 878 CG ASP A 62 -9.778 -13.283 1.020 1.00 0.00 C ATOM 879 OD1 ASP A 62 -10.415 -13.710 0.035 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.818 -13.821 2.147 1.00 0.00 O ATOM 0 H ASP A 62 -6.676 -10.539 0.674 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.322 -13.415 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.738 -11.587 1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.447 -11.321 0.231 1.00 0.00 H new ATOM 885 N PHE A 63 -7.534 -10.910 -1.752 1.00 0.00 N ATOM 886 CA PHE A 63 -7.606 -10.575 -3.169 1.00 0.00 C ATOM 887 C PHE A 63 -6.360 -11.056 -3.906 1.00 0.00 C ATOM 888 O PHE A 63 -6.420 -11.407 -5.085 1.00 0.00 O ATOM 889 CB PHE A 63 -7.768 -9.065 -3.350 1.00 0.00 C ATOM 890 CG PHE A 63 -6.651 -8.264 -2.742 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.474 -8.050 -3.442 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.779 -7.727 -1.470 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.445 -7.314 -2.884 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.753 -6.991 -0.909 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.585 -6.784 -1.617 1.00 0.00 C ATOM 0 H PHE A 63 -7.378 -10.111 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.474 -11.080 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.828 -8.839 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.712 -8.753 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.359 -8.462 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.690 -7.886 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.532 -7.154 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.864 -6.578 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.783 -6.208 -1.180 1.00 0.00 H new ATOM 905 N ALA A 64 -5.232 -11.068 -3.204 1.00 0.00 N ATOM 906 CA ALA A 64 -3.971 -11.504 -3.791 1.00 0.00 C ATOM 907 C ALA A 64 -3.285 -12.541 -2.908 1.00 0.00 C ATOM 908 O ALA A 64 -3.579 -12.650 -1.718 1.00 0.00 O ATOM 909 CB ALA A 64 -3.055 -10.311 -4.018 1.00 0.00 C ATOM 0 H ALA A 64 -5.166 -10.781 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.187 -11.970 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.117 -10.651 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.537 -9.605 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.853 -9.821 -3.066 1.00 0.00 H new ATOM 915 N LYS A 65 -2.368 -13.301 -3.500 1.00 0.00 N ATOM 916 CA LYS A 65 -1.638 -14.329 -2.767 1.00 0.00 C ATOM 917 C LYS A 65 -0.364 -13.757 -2.152 1.00 0.00 C ATOM 918 O LYS A 65 0.078 -12.667 -2.516 1.00 0.00 O ATOM 919 CB LYS A 65 -1.297 -15.499 -3.692 1.00 0.00 C ATOM 920 CG LYS A 65 -2.074 -16.768 -3.379 1.00 0.00 C ATOM 921 CD LYS A 65 -2.137 -17.694 -4.583 1.00 0.00 C ATOM 922 CE LYS A 65 -3.163 -17.218 -5.599 1.00 0.00 C ATOM 923 NZ LYS A 65 -4.516 -17.067 -4.994 1.00 0.00 N ATOM 0 H LYS A 65 -2.113 -13.224 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.276 -14.690 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.496 -15.206 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.230 -15.709 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.604 -17.287 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.085 -16.509 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.155 -17.748 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.389 -18.702 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.844 -16.263 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.212 -17.927 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.240 -17.162 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.659 -17.804 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.595 -16.130 -4.550 1.00 0.00 H new ATOM 937 N GLY A 66 0.223 -14.501 -1.221 1.00 0.00 N ATOM 938 CA GLY A 66 1.441 -14.053 -0.572 1.00 0.00 C ATOM 939 C GLY A 66 1.166 -13.201 0.652 1.00 0.00 C ATOM 940 O GLY A 66 0.059 -13.213 1.189 1.00 0.00 O ATOM 0 H GLY A 66 -0.123 -15.407 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.034 -14.920 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.038 -13.481 -1.282 1.00 0.00 H new ATOM 944 N GLU A 67 2.178 -12.461 1.095 1.00 0.00 N ATOM 945 CA GLU A 67 2.040 -11.600 2.264 1.00 0.00 C ATOM 946 C GLU A 67 2.048 -10.129 1.861 1.00 0.00 C ATOM 947 O GLU A 67 3.060 -9.612 1.385 1.00 0.00 O ATOM 948 CB GLU A 67 3.168 -11.874 3.261 1.00 0.00 C ATOM 949 CG GLU A 67 2.763 -11.663 4.710 1.00 0.00 C ATOM 950 CD GLU A 67 3.938 -11.753 5.663 1.00 0.00 C ATOM 951 OE1 GLU A 67 4.264 -12.878 6.098 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.532 -10.701 5.975 1.00 0.00 O ATOM 0 H GLU A 67 3.101 -12.441 0.662 1.00 0.00 H new ATOM 0 HA GLU A 67 1.084 -11.823 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.512 -12.900 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.012 -11.224 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.291 -10.686 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.017 -12.408 4.987 1.00 0.00 H new ATOM 959 N TRP A 68 0.916 -9.461 2.052 1.00 0.00 N ATOM 960 CA TRP A 68 0.793 -8.050 1.707 1.00 0.00 C ATOM 961 C TRP A 68 0.824 -7.180 2.961 1.00 0.00 C ATOM 962 O TRP A 68 0.195 -7.504 3.969 1.00 0.00 O ATOM 963 CB TRP A 68 -0.503 -7.804 0.933 1.00 0.00 C ATOM 964 CG TRP A 68 -0.465 -8.328 -0.470 1.00 0.00 C ATOM 965 CD1 TRP A 68 -0.131 -9.591 -0.865 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.770 -7.600 -1.666 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.211 -9.694 -2.232 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.601 -8.485 -2.748 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.171 -6.287 -1.927 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.819 -8.099 -4.068 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.387 -5.905 -3.238 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.211 -6.808 -4.293 1.00 0.00 C ATOM 0 H TRP A 68 0.070 -9.874 2.444 1.00 0.00 H new ATOM 0 HA TRP A 68 1.640 -7.779 1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.331 -8.272 1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.705 -6.733 0.908 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.155 -10.392 -0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.012 -10.534 -2.776 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.310 -5.584 -1.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.684 -8.793 -4.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.697 -4.893 -3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.388 -6.478 -5.306 1.00 0.00 H new ATOM 983 N CYS A 69 1.557 -6.074 2.888 1.00 0.00 N ATOM 984 CA CYS A 69 1.669 -5.157 4.016 1.00 0.00 C ATOM 985 C CYS A 69 0.615 -4.057 3.929 1.00 0.00 C ATOM 986 O CYS A 69 0.645 -3.226 3.022 1.00 0.00 O ATOM 987 CB CYS A 69 3.067 -4.537 4.059 1.00 0.00 C ATOM 988 SG CYS A 69 3.629 -4.098 5.721 1.00 0.00 S ATOM 0 H CYS A 69 2.082 -5.791 2.060 1.00 0.00 H new ATOM 0 HA CYS A 69 1.502 -5.724 4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.777 -5.238 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.075 -3.643 3.436 1.00 0.00 H new ATOM 0 HG CYS A 69 4.821 -3.584 5.654 1.00 0.00 H new ATOM 994 N GLY A 70 -0.315 -4.058 4.878 1.00 0.00 N ATOM 995 CA GLY A 70 -1.364 -3.057 4.890 1.00 0.00 C ATOM 996 C GLY A 70 -0.888 -1.724 5.433 1.00 0.00 C ATOM 997 O GLY A 70 -0.921 -1.491 6.642 1.00 0.00 O ATOM 0 H GLY A 70 -0.360 -4.735 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.742 -2.919 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.197 -3.415 5.495 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.443 -0.848 4.538 1.00 0.00 N ATOM 1002 CA VAL A 71 0.043 0.469 4.935 1.00 0.00 C ATOM 1003 C VAL A 71 -1.034 1.531 4.744 1.00 0.00 C ATOM 1004 O VAL A 71 -1.758 1.524 3.749 1.00 0.00 O ATOM 1005 CB VAL A 71 1.293 0.873 4.131 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.907 2.143 4.700 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.309 -0.261 4.117 1.00 0.00 C ATOM 0 H VAL A 71 -0.409 -1.026 3.534 1.00 0.00 H new ATOM 0 HA VAL A 71 0.305 0.405 5.991 1.00 0.00 H new ATOM 0 HB VAL A 71 0.992 1.073 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.789 2.413 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.179 2.953 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.194 1.975 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.185 0.043 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.607 -0.495 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.863 -1.143 3.658 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.133 2.444 5.705 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.122 3.515 5.643 1.00 0.00 C ATOM 1019 C GLU A 72 -1.502 4.797 5.097 1.00 0.00 C ATOM 1020 O GLU A 72 -0.584 5.358 5.696 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.716 3.771 7.030 1.00 0.00 C ATOM 1022 CG GLU A 72 -3.897 4.727 7.019 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.539 6.104 7.540 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -2.362 6.501 7.409 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.434 6.787 8.081 1.00 0.00 O ATOM 0 H GLU A 72 -0.541 2.464 6.535 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.918 3.202 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.032 2.821 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.939 4.174 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.278 4.816 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.702 4.311 7.626 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.009 5.254 3.956 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.504 6.469 3.329 1.00 0.00 C ATOM 1034 C LEU A 73 -1.919 7.705 4.123 1.00 0.00 C ATOM 1035 O LEU A 73 -2.991 7.735 4.728 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.016 6.577 1.891 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.966 5.277 1.087 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.434 5.513 -0.340 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.559 4.697 1.099 1.00 0.00 C ATOM 0 H LEU A 73 -2.769 4.801 3.448 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.415 6.416 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.046 6.933 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.429 7.332 1.368 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.639 4.558 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.391 4.577 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.459 5.883 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.787 6.249 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.542 3.772 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.134 5.413 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.260 4.489 2.126 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.064 8.722 4.115 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.343 9.960 4.833 1.00 0.00 C ATOM 1053 C ASP A 74 -2.350 10.815 4.072 1.00 0.00 C ATOM 1054 O ASP A 74 -3.164 11.517 4.673 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.050 10.748 5.053 1.00 0.00 C ATOM 1056 CG ASP A 74 0.939 10.003 5.927 1.00 0.00 C ATOM 1057 OD1 ASP A 74 0.496 9.185 6.762 1.00 0.00 O ATOM 1058 OD2 ASP A 74 2.157 10.235 5.777 1.00 0.00 O ATOM 0 H ASP A 74 -0.172 8.713 3.619 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.772 9.701 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.411 10.962 4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.286 11.708 5.513 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.290 10.751 2.745 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.198 11.520 1.901 1.00 0.00 C ATOM 1065 C GLU A 75 -4.324 10.637 1.368 1.00 0.00 C ATOM 1066 O GLU A 75 -4.218 9.411 1.375 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.433 12.151 0.736 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.856 13.519 1.059 1.00 0.00 C ATOM 1069 CD GLU A 75 -0.345 13.500 1.193 1.00 0.00 C ATOM 1070 OE1 GLU A 75 0.340 13.333 0.162 1.00 0.00 O ATOM 1071 OE2 GLU A 75 0.153 13.651 2.328 1.00 0.00 O ATOM 0 H GLU A 75 -1.623 10.175 2.232 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.638 12.311 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.623 11.484 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.101 12.240 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.138 14.222 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.295 13.884 1.988 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.423 11.253 0.898 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.571 10.517 0.360 1.00 0.00 C ATOM 1080 C PRO A 76 -6.248 9.819 -0.957 1.00 0.00 C ATOM 1081 O PRO A 76 -6.587 10.313 -2.034 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.626 11.606 0.146 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.846 12.864 -0.017 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.630 12.712 0.854 1.00 0.00 C ATOM 0 HA PRO A 76 -6.893 9.721 1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.234 11.400 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.307 11.670 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.563 13.016 -1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.435 13.730 0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.767 13.228 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.794 13.125 1.849 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.592 8.667 -0.865 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.224 7.898 -2.048 1.00 0.00 C ATOM 1094 C LEU A 77 -5.316 6.401 -1.773 1.00 0.00 C ATOM 1095 O LEU A 77 -4.563 5.608 -2.339 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.807 8.260 -2.498 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.641 9.681 -3.039 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.214 10.165 -2.837 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -4.023 9.738 -4.510 1.00 0.00 C ATOM 0 H LEU A 77 -5.304 8.245 0.018 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.925 8.147 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.130 8.128 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.496 7.556 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.308 10.342 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.114 11.178 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.976 10.162 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.527 9.503 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.899 10.756 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.381 9.065 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.063 9.433 -4.628 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.243 6.021 -0.899 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.416 4.620 -0.563 1.00 0.00 C ATOM 1113 C GLY A 78 -7.520 3.961 -1.368 1.00 0.00 C ATOM 1114 O GLY A 78 -8.203 4.620 -2.152 1.00 0.00 O ATOM 0 H GLY A 78 -6.877 6.659 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.479 4.090 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.642 4.530 0.499 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.694 2.658 -1.172 1.00 0.00 N ATOM 1119 CA LYS A 79 -8.721 1.908 -1.886 1.00 0.00 C ATOM 1120 C LYS A 79 -9.834 1.471 -0.939 1.00 0.00 C ATOM 1121 O LYS A 79 -11.003 1.415 -1.322 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.108 0.686 -2.570 1.00 0.00 C ATOM 1123 CG LYS A 79 -8.810 0.292 -3.859 1.00 0.00 C ATOM 1124 CD LYS A 79 -7.970 -0.674 -4.679 1.00 0.00 C ATOM 1125 CE LYS A 79 -7.787 -2.001 -3.960 1.00 0.00 C ATOM 1126 NZ LYS A 79 -7.855 -3.155 -4.899 1.00 0.00 N ATOM 0 H LYS A 79 -7.137 2.100 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.151 2.562 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.059 0.889 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.134 -0.157 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.770 -0.167 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.019 1.185 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.447 -0.844 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.995 -0.230 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.825 -2.006 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.557 -2.109 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.726 -4.041 -4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.782 -3.165 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.105 -3.066 -5.614 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.463 1.159 0.299 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.431 0.725 1.300 1.00 0.00 C ATOM 1142 C ASN A 80 -10.095 1.302 2.671 1.00 0.00 C ATOM 1143 O ASN A 80 -9.080 1.977 2.840 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.471 -0.803 1.372 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.122 -1.400 1.722 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.901 -1.842 2.849 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.213 -1.417 0.754 1.00 0.00 N ATOM 0 H ASN A 80 -8.500 1.199 0.633 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.413 1.094 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.205 -1.110 2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.804 -1.201 0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.287 -1.808 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.440 -1.039 -0.166 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.954 1.030 3.648 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.748 1.521 5.006 1.00 0.00 C ATOM 1156 C ASP A 81 -10.142 0.437 5.891 1.00 0.00 C ATOM 1157 O ASP A 81 -10.428 0.367 7.087 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.074 2.000 5.602 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.101 0.889 5.698 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.305 0.181 4.689 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.701 0.727 6.780 1.00 0.00 O ATOM 0 H ASP A 81 -11.799 0.472 3.525 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.052 2.359 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.895 2.412 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.474 2.808 4.989 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.304 -0.405 5.297 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.670 -1.474 6.048 1.00 0.00 C ATOM 1168 C GLY A 82 -9.477 -2.758 6.023 1.00 0.00 C ATOM 1169 O GLY A 82 -9.401 -3.564 6.950 1.00 0.00 O ATOM 0 H GLY A 82 -9.052 -0.367 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.678 -1.664 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.532 -1.155 7.081 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.249 -2.948 4.958 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.073 -4.142 4.816 1.00 0.00 C ATOM 1175 C ALA A 83 -11.310 -4.472 3.347 1.00 0.00 C ATOM 1176 O ALA A 83 -11.825 -3.647 2.591 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.399 -3.958 5.538 1.00 0.00 C ATOM 0 H ALA A 83 -10.321 -2.291 4.181 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.539 -4.978 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.004 -4.858 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.215 -3.777 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.930 -3.107 5.112 1.00 0.00 H new ATOM 1183 N VAL A 84 -10.930 -5.681 2.948 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.102 -6.119 1.568 1.00 0.00 C ATOM 1185 C VAL A 84 -11.819 -7.462 1.501 1.00 0.00 C ATOM 1186 O VAL A 84 -11.543 -8.366 2.289 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.748 -6.238 0.844 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.955 -6.494 -0.641 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.912 -4.985 1.065 1.00 0.00 C ATOM 0 H VAL A 84 -10.501 -6.375 3.560 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.708 -5.362 1.071 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.207 -7.087 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.987 -6.575 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.510 -7.422 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.517 -5.668 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.959 -5.087 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.446 -4.118 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.732 -4.851 2.132 1.00 0.00 H new ATOM 1199 N ALA A 85 -12.744 -7.586 0.554 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.504 -8.819 0.381 1.00 0.00 C ATOM 1201 C ALA A 85 -14.232 -9.207 1.665 1.00 0.00 C ATOM 1202 O ALA A 85 -14.545 -10.378 1.882 1.00 0.00 O ATOM 1203 CB ALA A 85 -12.584 -9.945 -0.066 1.00 0.00 C ATOM 0 H ALA A 85 -12.985 -6.847 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.255 -8.646 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.163 -10.860 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.117 -9.678 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.812 -10.105 0.687 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.500 -8.218 2.513 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.190 -8.480 3.763 1.00 0.00 C ATOM 1211 C GLY A 86 -14.237 -8.680 4.926 1.00 0.00 C ATOM 1212 O GLY A 86 -14.594 -8.433 6.078 1.00 0.00 O ATOM 0 H GLY A 86 -14.252 -7.241 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.859 -7.649 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.812 -9.368 3.651 1.00 0.00 H new ATOM 1216 N THR A 87 -13.022 -9.127 4.625 1.00 0.00 N ATOM 1217 CA THR A 87 -12.016 -9.361 5.655 1.00 0.00 C ATOM 1218 C THR A 87 -11.457 -8.043 6.179 1.00 0.00 C ATOM 1219 O THR A 87 -11.188 -7.120 5.410 1.00 0.00 O ATOM 1220 CB THR A 87 -10.881 -10.225 5.103 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.324 -10.982 3.991 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.316 -11.193 6.120 1.00 0.00 C ATOM 0 H THR A 87 -12.710 -9.334 3.676 1.00 0.00 H new ATOM 0 HA THR A 87 -12.495 -9.887 6.481 1.00 0.00 H new ATOM 0 HB THR A 87 -10.097 -9.524 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.584 -11.527 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.515 -11.775 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.921 -10.638 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.104 -11.865 6.460 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.283 -7.961 7.495 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.755 -6.756 8.124 1.00 0.00 C ATOM 1232 C ARG A 88 -9.283 -6.932 8.484 1.00 0.00 C ATOM 1233 O ARG A 88 -8.817 -8.050 8.705 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.562 -6.414 9.378 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.700 -4.921 9.624 1.00 0.00 C ATOM 1236 CD ARG A 88 -12.920 -4.606 10.475 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.137 -5.201 9.929 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.753 -4.756 8.835 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -14.269 -3.715 8.170 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.856 -5.355 8.406 1.00 0.00 N ATOM 0 H ARG A 88 -11.500 -8.715 8.146 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.841 -5.936 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.556 -6.853 9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.085 -6.874 10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.804 -4.549 10.120 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.776 -4.400 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.760 -4.974 11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.044 -3.525 10.544 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.538 -6.004 10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.421 -3.251 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.745 -3.379 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.232 -6.156 8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.328 -5.015 7.568 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.556 -5.821 8.543 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.137 -5.853 8.877 1.00 0.00 C ATOM 1256 C TYR A 89 -6.791 -4.768 9.892 1.00 0.00 C ATOM 1257 O TYR A 89 -6.232 -5.051 10.951 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.291 -5.675 7.614 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.574 -6.707 6.546 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.763 -6.681 5.827 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.654 -7.706 6.256 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.026 -7.623 4.849 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.909 -8.650 5.280 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.096 -8.605 4.580 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.354 -9.543 3.608 1.00 0.00 O ATOM 0 H TYR A 89 -8.926 -4.888 8.364 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.916 -6.823 9.321 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.470 -4.681 7.204 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.236 -5.723 7.884 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.493 -5.913 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.723 -7.746 6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.955 -7.590 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.182 -9.420 5.066 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.927 -9.149 2.917 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.128 -3.526 9.560 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.853 -2.398 10.443 1.00 0.00 C ATOM 1277 C PHE A 90 -7.840 -1.263 10.197 1.00 0.00 C ATOM 1278 O PHE A 90 -7.829 -0.635 9.138 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.421 -1.900 10.236 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.131 -1.480 8.824 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -4.769 -2.418 7.870 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.220 -0.149 8.450 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.503 -2.035 6.569 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -4.953 0.240 7.151 1.00 0.00 C ATOM 1285 CZ PHE A 90 -4.594 -0.704 6.209 1.00 0.00 C ATOM 0 H PHE A 90 -7.592 -3.275 8.687 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.967 -2.737 11.473 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.238 -1.057 10.902 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.725 -2.689 10.522 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.694 -3.459 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.501 0.593 9.182 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.224 -2.776 5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.025 1.281 6.873 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.385 -0.403 5.193 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.693 -1.003 11.183 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.687 0.057 11.071 1.00 0.00 C ATOM 1297 C GLN A 91 -9.016 1.417 10.916 1.00 0.00 C ATOM 1298 O GLN A 91 -8.095 1.756 11.659 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.599 0.064 12.300 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.687 1.122 12.243 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.864 0.703 11.383 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -13.334 -0.431 11.466 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -13.344 1.620 10.551 1.00 0.00 N ATOM 0 H GLN A 91 -8.715 -1.511 12.067 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.288 -0.136 10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.063 -0.917 12.404 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.993 0.226 13.191 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.037 1.333 13.254 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.267 2.049 11.851 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.922 2.548 10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -14.135 1.396 9.947 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.485 2.195 9.945 1.00 0.00 N ATOM 1313 CA CYS A 92 -8.931 3.520 9.691 1.00 0.00 C ATOM 1314 C CYS A 92 -9.915 4.376 8.901 1.00 0.00 C ATOM 1315 O CYS A 92 -11.010 3.928 8.563 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.609 3.406 8.930 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.144 3.413 9.990 1.00 0.00 S ATOM 0 H CYS A 92 -10.247 1.930 9.321 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.747 4.001 10.652 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.617 2.486 8.345 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.537 4.232 8.223 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.390 2.739 11.074 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.516 5.609 8.610 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.364 6.527 7.858 1.00 0.00 C ATOM 1325 C GLN A 93 -10.542 6.049 6.419 1.00 0.00 C ATOM 1326 O GLN A 93 -9.643 5.431 5.847 1.00 0.00 O ATOM 1327 CB GLN A 93 -9.764 7.935 7.871 1.00 0.00 C ATOM 1328 CG GLN A 93 -10.190 8.765 9.070 1.00 0.00 C ATOM 1329 CD GLN A 93 -10.058 10.256 8.825 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -10.733 10.815 7.960 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -9.187 10.907 9.586 1.00 0.00 N ATOM 0 H GLN A 93 -8.612 5.996 8.883 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.343 6.553 8.336 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.677 7.858 7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.056 8.454 6.958 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.225 8.532 9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.584 8.487 9.933 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.649 10.403 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.056 11.911 9.466 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.706 6.331 5.812 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.996 5.925 4.432 1.00 0.00 C ATOM 1342 C PRO A 94 -11.076 6.607 3.425 1.00 0.00 C ATOM 1343 O PRO A 94 -10.699 7.766 3.598 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.447 6.371 4.219 1.00 0.00 C ATOM 1345 CG PRO A 94 -13.675 7.436 5.235 1.00 0.00 C ATOM 1346 CD PRO A 94 -12.831 7.065 6.419 1.00 0.00 C ATOM 0 HA PRO A 94 -11.843 4.856 4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.599 6.750 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.139 5.540 4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.392 8.414 4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.728 7.494 5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.491 7.946 6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.381 6.446 7.128 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.718 5.879 2.373 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.840 6.413 1.336 1.00 0.00 C ATOM 1356 C LYS A 95 -8.482 6.797 1.919 1.00 0.00 C ATOM 1357 O LYS A 95 -7.969 7.885 1.661 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.486 7.628 0.667 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.731 7.290 -0.137 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.229 8.490 -0.925 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.376 9.187 -0.213 1.00 0.00 C ATOM 1362 NZ LYS A 95 -12.972 9.695 1.127 1.00 0.00 N ATOM 0 H LYS A 95 -11.022 4.918 2.215 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.687 5.636 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.746 8.359 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.756 8.101 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.512 6.470 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.516 6.944 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.410 9.194 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.556 8.167 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.731 10.017 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.209 8.493 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.723 10.306 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.819 8.893 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.091 10.241 1.040 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.906 5.893 2.705 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.607 6.135 3.324 1.00 0.00 C ATOM 1378 C TYR A 96 -5.774 4.859 3.358 1.00 0.00 C ATOM 1379 O TYR A 96 -4.600 4.862 2.987 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.789 6.679 4.742 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.044 8.168 4.793 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.019 9.075 4.557 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.309 8.666 5.077 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.247 10.437 4.602 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.546 10.027 5.124 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.512 10.908 4.885 1.00 0.00 C ATOM 1387 OH TYR A 96 -7.744 12.263 4.931 1.00 0.00 O ATOM 0 H TYR A 96 -8.318 4.987 2.928 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.078 6.875 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.622 6.160 5.217 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.897 6.452 5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.027 8.710 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.121 7.979 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.439 11.129 4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.535 10.398 5.347 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.687 12.426 5.142 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.387 3.770 3.809 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.686 2.502 3.885 1.00 0.00 C ATOM 1399 C GLY A 97 -5.418 1.902 2.519 1.00 0.00 C ATOM 1400 O GLY A 97 -6.321 1.809 1.687 1.00 0.00 O ATOM 0 H GLY A 97 -7.357 3.743 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.740 2.645 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.274 1.801 4.477 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.175 1.494 2.288 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.790 0.899 1.013 1.00 0.00 C ATOM 1406 C LEU A 98 -2.970 -0.368 1.232 1.00 0.00 C ATOM 1407 O LEU A 98 -2.084 -0.408 2.086 1.00 0.00 O ATOM 1408 CB LEU A 98 -2.989 1.900 0.179 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.858 1.549 -1.304 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.041 2.095 -2.089 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.550 2.088 -1.865 1.00 0.00 C ATOM 0 H LEU A 98 -3.417 1.564 2.967 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.700 0.635 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.459 2.880 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.990 1.988 0.606 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.854 0.463 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.930 1.835 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.964 1.662 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.078 3.179 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.473 1.829 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.526 3.172 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.713 1.649 -1.322 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.271 -1.403 0.453 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.563 -2.674 0.563 1.00 0.00 C ATOM 1425 C PHE A 99 -1.614 -2.871 -0.615 1.00 0.00 C ATOM 1426 O PHE A 99 -1.905 -2.456 -1.736 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.559 -3.833 0.633 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.843 -4.297 2.032 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.010 -5.213 2.656 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -4.943 -3.818 2.726 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.268 -5.642 3.943 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.207 -4.245 4.014 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.369 -5.157 4.623 1.00 0.00 C ATOM 0 H PHE A 99 -4.000 -1.386 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.975 -2.656 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.494 -3.527 0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.171 -4.670 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.149 -5.596 2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.601 -3.103 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.610 -6.355 4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.068 -3.865 4.543 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.573 -5.491 5.629 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.478 -3.509 -0.351 1.00 0.00 N ATOM 1444 CA ALA A 100 0.514 -3.765 -1.388 1.00 0.00 C ATOM 1445 C ALA A 100 1.454 -4.896 -0.980 1.00 0.00 C ATOM 1446 O ALA A 100 1.613 -5.183 0.207 1.00 0.00 O ATOM 1447 CB ALA A 100 1.305 -2.499 -1.684 1.00 0.00 C ATOM 0 H ALA A 100 -0.222 -3.858 0.573 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.011 -4.072 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.042 -2.704 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.626 -1.717 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.814 -2.168 -0.779 1.00 0.00 H new ATOM 1453 N PRO A 101 2.094 -5.556 -1.961 1.00 0.00 N ATOM 1454 CA PRO A 101 3.021 -6.659 -1.693 1.00 0.00 C ATOM 1455 C PRO A 101 4.238 -6.200 -0.898 1.00 0.00 C ATOM 1456 O PRO A 101 4.878 -5.207 -1.243 1.00 0.00 O ATOM 1457 CB PRO A 101 3.442 -7.140 -3.088 1.00 0.00 C ATOM 1458 CG PRO A 101 2.450 -6.552 -4.034 1.00 0.00 C ATOM 1459 CD PRO A 101 1.966 -5.281 -3.400 1.00 0.00 C ATOM 0 HA PRO A 101 2.557 -7.440 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.453 -6.811 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.439 -8.229 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.907 -6.353 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.622 -7.240 -4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.569 -4.425 -3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.936 -5.059 -3.678 1.00 0.00 H new ATOM 1467 N VAL A 102 4.553 -6.929 0.168 1.00 0.00 N ATOM 1468 CA VAL A 102 5.692 -6.594 1.017 1.00 0.00 C ATOM 1469 C VAL A 102 6.969 -6.419 0.198 1.00 0.00 C ATOM 1470 O VAL A 102 7.675 -5.419 0.341 1.00 0.00 O ATOM 1471 CB VAL A 102 5.930 -7.671 2.094 1.00 0.00 C ATOM 1472 CG1 VAL A 102 4.844 -7.612 3.156 1.00 0.00 C ATOM 1473 CG2 VAL A 102 5.995 -9.057 1.467 1.00 0.00 C ATOM 0 H VAL A 102 4.035 -7.756 0.465 1.00 0.00 H new ATOM 0 HA VAL A 102 5.448 -5.650 1.504 1.00 0.00 H new ATOM 0 HB VAL A 102 6.889 -7.470 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.028 -8.379 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.851 -6.630 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.872 -7.784 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.164 -9.801 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.055 -9.271 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.813 -9.093 0.748 1.00 0.00 H new ATOM 1483 N HIS A 103 7.261 -7.392 -0.659 1.00 0.00 N ATOM 1484 CA HIS A 103 8.456 -7.340 -1.496 1.00 0.00 C ATOM 1485 C HIS A 103 8.475 -6.076 -2.352 1.00 0.00 C ATOM 1486 O HIS A 103 9.537 -5.626 -2.785 1.00 0.00 O ATOM 1487 CB HIS A 103 8.535 -8.580 -2.390 1.00 0.00 C ATOM 1488 CG HIS A 103 7.324 -8.782 -3.248 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.298 -8.555 -4.605 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.079 -9.207 -2.916 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.067 -8.842 -5.047 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.287 -9.243 -4.060 1.00 0.00 N ATOM 0 H HIS A 103 6.688 -8.225 -0.793 1.00 0.00 H new ATOM 0 HA HIS A 103 9.325 -7.320 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.414 -8.500 -3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.676 -9.461 -1.763 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.078 -8.226 -5.174 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.754 -9.475 -1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.753 -8.757 -6.077 1.00 0.00 H new ATOM 1500 N LYS A 104 7.299 -5.505 -2.594 1.00 0.00 N ATOM 1501 CA LYS A 104 7.191 -4.292 -3.397 1.00 0.00 C ATOM 1502 C LYS A 104 7.358 -3.046 -2.532 1.00 0.00 C ATOM 1503 O LYS A 104 7.776 -1.995 -3.016 1.00 0.00 O ATOM 1504 CB LYS A 104 5.842 -4.251 -4.120 1.00 0.00 C ATOM 1505 CG LYS A 104 5.965 -4.323 -5.634 1.00 0.00 C ATOM 1506 CD LYS A 104 5.343 -5.594 -6.193 1.00 0.00 C ATOM 1507 CE LYS A 104 6.373 -6.450 -6.914 1.00 0.00 C ATOM 1508 NZ LYS A 104 7.122 -5.673 -7.940 1.00 0.00 N ATOM 0 H LYS A 104 6.409 -5.862 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 104 7.991 -4.305 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.227 -5.081 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.321 -3.333 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.480 -3.455 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.017 -4.279 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.895 -6.168 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.539 -5.334 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.074 -6.863 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.874 -7.294 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.379 -6.299 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.525 -4.898 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.986 -5.279 -7.515 1.00 0.00 H new ATOM 1522 N VAL A 105 7.027 -3.168 -1.249 1.00 0.00 N ATOM 1523 CA VAL A 105 7.142 -2.047 -0.323 1.00 0.00 C ATOM 1524 C VAL A 105 8.599 -1.648 -0.120 1.00 0.00 C ATOM 1525 O VAL A 105 9.469 -2.501 0.057 1.00 0.00 O ATOM 1526 CB VAL A 105 6.516 -2.382 1.046 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.524 -1.160 1.953 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.101 -2.911 0.870 1.00 0.00 C ATOM 0 H VAL A 105 6.678 -4.029 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 105 6.599 -1.213 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 105 7.117 -3.160 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.078 -1.417 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.551 -0.828 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.949 -0.359 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.675 -3.142 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.489 -2.156 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.124 -3.815 0.261 1.00 0.00 H new ATOM 1538 N THR A 106 8.857 -0.344 -0.147 1.00 0.00 N ATOM 1539 CA THR A 106 10.208 0.172 0.035 1.00 0.00 C ATOM 1540 C THR A 106 10.330 0.921 1.359 1.00 0.00 C ATOM 1541 O THR A 106 9.435 1.677 1.739 1.00 0.00 O ATOM 1542 CB THR A 106 10.583 1.098 -1.123 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.067 0.605 -2.346 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.077 1.271 -1.292 1.00 0.00 C ATOM 0 H THR A 106 8.148 0.374 -0.293 1.00 0.00 H new ATOM 0 HA THR A 106 10.894 -0.675 0.051 1.00 0.00 H new ATOM 0 HB THR A 106 10.148 2.065 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.316 1.212 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.273 1.939 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.499 1.697 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.536 0.301 -1.486 1.00 0.00 H new ATOM 1552 N LYS A 107 11.440 0.704 2.057 1.00 0.00 N ATOM 1553 CA LYS A 107 11.675 1.358 3.338 1.00 0.00 C ATOM 1554 C LYS A 107 12.177 2.785 3.138 1.00 0.00 C ATOM 1555 O LYS A 107 13.001 3.047 2.260 1.00 0.00 O ATOM 1556 CB LYS A 107 12.685 0.560 4.164 1.00 0.00 C ATOM 1557 CG LYS A 107 12.376 0.543 5.652 1.00 0.00 C ATOM 1558 CD LYS A 107 13.292 -0.413 6.400 1.00 0.00 C ATOM 1559 CE LYS A 107 14.622 0.240 6.739 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.452 1.412 7.641 1.00 0.00 N ATOM 0 H LYS A 107 12.190 0.081 1.757 1.00 0.00 H new ATOM 0 HA LYS A 107 10.728 1.398 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.714 -0.465 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.679 0.981 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.486 1.548 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.338 0.249 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.804 -0.744 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.466 -1.302 5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.275 -0.492 7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.115 0.558 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.042 1.286 8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.741 2.278 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.454 1.491 7.923 1.00 0.00 H new ATOM 1574 N ILE A 108 11.675 3.703 3.956 1.00 0.00 N ATOM 1575 CA ILE A 108 12.071 5.104 3.870 1.00 0.00 C ATOM 1576 C ILE A 108 11.972 5.787 5.229 1.00 0.00 C ATOM 1577 O ILE A 108 11.427 5.225 6.179 1.00 0.00 O ATOM 1578 CB ILE A 108 11.202 5.873 2.857 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.716 5.629 3.134 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.557 5.463 1.436 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.922 6.903 3.327 1.00 0.00 C ATOM 0 H ILE A 108 10.992 3.502 4.687 1.00 0.00 H new ATOM 0 HA ILE A 108 13.107 5.119 3.533 1.00 0.00 H new ATOM 0 HB ILE A 108 11.401 6.939 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.288 5.065 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.617 5.010 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.934 6.015 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.607 5.686 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.385 4.394 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.878 6.655 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.325 7.458 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.990 7.514 2.427 1.00 0.00 H new