USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -40:sc= -0.198! USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.03 (180deg=-0.438) USER MOD Single : A 61 THR OG1 : rot -111:sc= 2.05 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -150:sc= -1.43 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0674 K(o=-0.067,f=-3.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.2) USER MOD Single : A 92 CYS SG : rot -114:sc= 1.22 USER MOD Single : A 93 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.7!) 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= -3.31! C(o=-3.3!,f=-4.2!) 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+ -133:sc= 0.033 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 8.823 -5.642 7.545 1.00 0.00 N ATOM 522 CA LEU A 39 8.642 -4.394 8.277 1.00 0.00 C ATOM 523 C LEU A 39 7.802 -4.615 9.531 1.00 0.00 C ATOM 524 O LEU A 39 7.340 -5.725 9.793 1.00 0.00 O ATOM 525 CB LEU A 39 7.979 -3.345 7.383 1.00 0.00 C ATOM 526 CG LEU A 39 8.542 -3.254 5.964 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.499 -2.690 5.011 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.801 -2.399 5.946 1.00 0.00 C ATOM 0 HA LEU A 39 9.625 -4.034 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.913 -3.564 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.077 -2.370 7.860 1.00 0.00 H new ATOM 0 HG LEU A 39 8.803 -4.259 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.918 -2.633 4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.624 -3.340 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.207 -1.693 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.189 -2.344 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.564 -1.395 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.553 -2.844 6.598 1.00 0.00 H new ATOM 540 N LYS A 40 7.608 -3.550 10.302 1.00 0.00 N ATOM 541 CA LYS A 40 6.823 -3.626 11.529 1.00 0.00 C ATOM 542 C LYS A 40 5.598 -2.722 11.446 1.00 0.00 C ATOM 543 O LYS A 40 5.335 -2.109 10.411 1.00 0.00 O ATOM 544 CB LYS A 40 7.682 -3.233 12.734 1.00 0.00 C ATOM 545 CG LYS A 40 8.349 -4.417 13.416 1.00 0.00 C ATOM 546 CD LYS A 40 7.554 -4.882 14.626 1.00 0.00 C ATOM 547 CE LYS A 40 7.549 -6.398 14.738 1.00 0.00 C ATOM 548 NZ LYS A 40 7.006 -6.856 16.047 1.00 0.00 N ATOM 0 H LYS A 40 7.984 -2.624 10.099 1.00 0.00 H new ATOM 0 HA LYS A 40 6.485 -4.655 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.450 -2.531 12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.059 -2.710 13.459 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.448 -5.239 12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.357 -4.140 13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.981 -4.450 15.531 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.529 -4.518 14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.952 -6.820 13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.564 -6.775 14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.019 -7.895 16.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.591 -6.475 16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.028 -6.518 16.154 1.00 0.00 H new ATOM 562 N ILE A 41 4.851 -2.643 12.543 1.00 0.00 N ATOM 563 CA ILE A 41 3.653 -1.813 12.594 1.00 0.00 C ATOM 564 C ILE A 41 3.973 -0.419 13.122 1.00 0.00 C ATOM 565 O ILE A 41 4.056 -0.204 14.331 1.00 0.00 O ATOM 566 CB ILE A 41 2.568 -2.449 13.483 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.368 -3.919 13.110 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.261 -1.682 13.353 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.929 -4.125 11.677 1.00 0.00 C ATOM 0 H ILE A 41 5.054 -3.144 13.408 1.00 0.00 H new ATOM 0 HA ILE A 41 3.278 -1.735 11.574 1.00 0.00 H new ATOM 0 HB ILE A 41 2.895 -2.399 14.522 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.301 -4.458 13.277 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.624 -4.356 13.776 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.504 -2.143 13.987 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.413 -0.648 13.663 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.928 -1.704 12.315 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.807 -5.191 11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.980 -3.615 11.510 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.683 -3.718 11.003 1.00 0.00 H new ATOM 581 N GLY A 42 4.152 0.528 12.205 1.00 0.00 N ATOM 582 CA GLY A 42 4.461 1.891 12.596 1.00 0.00 C ATOM 583 C GLY A 42 5.596 2.485 11.785 1.00 0.00 C ATOM 584 O GLY A 42 5.660 3.698 11.590 1.00 0.00 O ATOM 0 H GLY A 42 4.088 0.375 11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.572 2.510 12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.725 1.911 13.653 1.00 0.00 H new ATOM 588 N ASP A 43 6.494 1.626 11.311 1.00 0.00 N ATOM 589 CA ASP A 43 7.633 2.071 10.516 1.00 0.00 C ATOM 590 C ASP A 43 7.168 2.732 9.222 1.00 0.00 C ATOM 591 O ASP A 43 6.201 2.292 8.601 1.00 0.00 O ATOM 592 CB ASP A 43 8.552 0.890 10.198 1.00 0.00 C ATOM 593 CG ASP A 43 9.632 0.700 11.245 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.283 0.497 12.427 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.826 0.756 10.884 1.00 0.00 O ATOM 0 H ASP A 43 6.455 0.618 11.464 1.00 0.00 H new ATOM 0 HA ASP A 43 8.187 2.806 11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.957 -0.020 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.017 1.047 9.225 1.00 0.00 H new ATOM 600 N ARG A 44 7.865 3.790 8.820 1.00 0.00 N ATOM 601 CA ARG A 44 7.524 4.511 7.599 1.00 0.00 C ATOM 602 C ARG A 44 8.012 3.755 6.368 1.00 0.00 C ATOM 603 O ARG A 44 9.118 3.215 6.356 1.00 0.00 O ATOM 604 CB ARG A 44 8.134 5.915 7.624 1.00 0.00 C ATOM 605 CG ARG A 44 7.367 6.896 8.497 1.00 0.00 C ATOM 606 CD ARG A 44 6.631 7.931 7.660 1.00 0.00 C ATOM 607 NE ARG A 44 6.238 9.095 8.451 1.00 0.00 N ATOM 608 CZ ARG A 44 5.379 10.020 8.030 1.00 0.00 C ATOM 609 NH1 ARG A 44 4.824 9.923 6.829 1.00 0.00 N ATOM 610 NH2 ARG A 44 5.075 11.048 8.812 1.00 0.00 N ATOM 0 H ARG A 44 8.669 4.167 9.322 1.00 0.00 H new ATOM 0 HA ARG A 44 6.438 4.594 7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.161 5.849 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.175 6.303 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.653 6.352 9.116 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.058 7.399 9.174 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.269 8.251 6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.744 7.476 7.219 1.00 0.00 H new ATOM 0 HE ARG A 44 6.646 9.205 9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.055 9.136 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.166 10.635 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.500 11.129 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.417 11.757 8.489 1.00 0.00 H new ATOM 624 N VAL A 45 7.178 3.718 5.334 1.00 0.00 N ATOM 625 CA VAL A 45 7.524 3.027 4.098 1.00 0.00 C ATOM 626 C VAL A 45 7.017 3.791 2.880 1.00 0.00 C ATOM 627 O VAL A 45 6.294 4.779 3.011 1.00 0.00 O ATOM 628 CB VAL A 45 6.945 1.601 4.072 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.664 0.712 5.075 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.449 1.627 4.347 1.00 0.00 C ATOM 0 H VAL A 45 6.258 4.158 5.328 1.00 0.00 H new ATOM 0 HA VAL A 45 8.612 2.971 4.061 1.00 0.00 H new ATOM 0 HB VAL A 45 7.101 1.184 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.240 -0.292 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.724 0.667 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.544 1.123 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.057 0.610 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.267 2.064 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.949 2.225 3.585 1.00 0.00 H new ATOM 640 N LEU A 46 7.403 3.329 1.695 1.00 0.00 N ATOM 641 CA LEU A 46 6.987 3.969 0.453 1.00 0.00 C ATOM 642 C LEU A 46 6.767 2.934 -0.646 1.00 0.00 C ATOM 643 O LEU A 46 7.469 1.925 -0.712 1.00 0.00 O ATOM 644 CB LEU A 46 8.036 4.990 0.005 1.00 0.00 C ATOM 645 CG LEU A 46 7.685 5.764 -1.266 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.876 7.006 -0.927 1.00 0.00 C ATOM 647 CD2 LEU A 46 8.949 6.139 -2.025 1.00 0.00 C ATOM 0 H LEU A 46 8.003 2.514 1.569 1.00 0.00 H new ATOM 0 HA LEU A 46 6.044 4.483 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.195 5.703 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.981 4.471 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 46 7.077 5.123 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.635 7.545 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.954 6.714 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.458 7.651 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.682 6.689 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.581 6.763 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.491 5.234 -2.299 1.00 0.00 H new ATOM 659 N VAL A 47 5.787 3.191 -1.506 1.00 0.00 N ATOM 660 CA VAL A 47 5.474 2.282 -2.602 1.00 0.00 C ATOM 661 C VAL A 47 5.227 3.048 -3.899 1.00 0.00 C ATOM 662 O VAL A 47 4.327 3.885 -3.975 1.00 0.00 O ATOM 663 CB VAL A 47 4.238 1.419 -2.279 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.010 2.294 -2.071 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.994 0.398 -3.380 1.00 0.00 C ATOM 0 H VAL A 47 5.196 4.021 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 47 6.338 1.630 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 47 4.431 0.879 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.149 1.665 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.187 2.979 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.813 2.866 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.117 -0.201 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.826 0.915 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.864 -0.253 -3.472 1.00 0.00 H new ATOM 675 N GLY A 48 6.032 2.756 -4.915 1.00 0.00 N ATOM 676 CA GLY A 48 5.885 3.425 -6.194 1.00 0.00 C ATOM 677 C GLY A 48 6.824 4.605 -6.344 1.00 0.00 C ATOM 678 O GLY A 48 7.207 4.965 -7.457 1.00 0.00 O ATOM 0 H GLY A 48 6.784 2.068 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.072 2.712 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.856 3.767 -6.305 1.00 0.00 H new ATOM 682 N GLY A 49 7.195 5.210 -5.220 1.00 0.00 N ATOM 683 CA GLY A 49 8.093 6.350 -5.251 1.00 0.00 C ATOM 684 C GLY A 49 7.384 7.657 -4.950 1.00 0.00 C ATOM 685 O GLY A 49 7.863 8.729 -5.320 1.00 0.00 O ATOM 0 H GLY A 49 6.890 4.931 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.892 6.199 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.562 6.413 -6.233 1.00 0.00 H new ATOM 689 N THR A 50 6.241 7.569 -4.276 1.00 0.00 N ATOM 690 CA THR A 50 5.468 8.755 -3.925 1.00 0.00 C ATOM 691 C THR A 50 4.441 8.434 -2.844 1.00 0.00 C ATOM 692 O THR A 50 4.300 9.173 -1.869 1.00 0.00 O ATOM 693 CB THR A 50 4.762 9.316 -5.161 1.00 0.00 C ATOM 694 OG1 THR A 50 5.579 9.183 -6.311 1.00 0.00 O ATOM 695 CG2 THR A 50 4.392 10.777 -5.027 1.00 0.00 C ATOM 0 H THR A 50 5.830 6.690 -3.962 1.00 0.00 H new ATOM 0 HA THR A 50 6.158 9.504 -3.537 1.00 0.00 H new ATOM 0 HB THR A 50 3.846 8.733 -5.259 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.509 9.385 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.895 11.111 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.720 10.906 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.294 11.368 -4.868 1.00 0.00 H new ATOM 703 N LYS A 51 3.728 7.327 -3.022 1.00 0.00 N ATOM 704 CA LYS A 51 2.714 6.907 -2.062 1.00 0.00 C ATOM 705 C LYS A 51 3.356 6.451 -0.756 1.00 0.00 C ATOM 706 O LYS A 51 3.858 5.331 -0.657 1.00 0.00 O ATOM 707 CB LYS A 51 1.864 5.777 -2.647 1.00 0.00 C ATOM 708 CG LYS A 51 0.840 6.251 -3.666 1.00 0.00 C ATOM 709 CD LYS A 51 -0.186 5.171 -3.968 1.00 0.00 C ATOM 710 CE LYS A 51 -1.576 5.758 -4.148 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.673 6.591 -5.378 1.00 0.00 N ATOM 0 H LYS A 51 3.834 6.704 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 51 2.073 7.763 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.521 5.046 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.347 5.265 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.334 7.140 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.348 6.540 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.104 4.635 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.199 4.443 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.307 4.951 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.829 6.364 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.673 6.719 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.238 7.520 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.175 6.117 -6.158 1.00 0.00 H new ATOM 725 N ALA A 52 3.336 7.326 0.245 1.00 0.00 N ATOM 726 CA ALA A 52 3.917 7.013 1.545 1.00 0.00 C ATOM 727 C ALA A 52 2.830 6.776 2.588 1.00 0.00 C ATOM 728 O ALA A 52 1.674 7.148 2.391 1.00 0.00 O ATOM 729 CB ALA A 52 4.845 8.133 1.990 1.00 0.00 C ATOM 0 H ALA A 52 2.924 8.257 0.180 1.00 0.00 H new ATOM 0 HA ALA A 52 4.496 6.094 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.272 7.887 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.647 8.253 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.282 9.063 2.066 1.00 0.00 H new ATOM 735 N GLY A 53 3.211 6.155 3.701 1.00 0.00 N ATOM 736 CA GLY A 53 2.257 5.880 4.759 1.00 0.00 C ATOM 737 C GLY A 53 2.839 5.002 5.850 1.00 0.00 C ATOM 738 O GLY A 53 3.905 4.412 5.679 1.00 0.00 O ATOM 0 H GLY A 53 4.162 5.838 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.921 6.821 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.379 5.393 4.335 1.00 0.00 H new ATOM 742 N VAL A 54 2.137 4.917 6.975 1.00 0.00 N ATOM 743 CA VAL A 54 2.589 4.104 8.098 1.00 0.00 C ATOM 744 C VAL A 54 2.009 2.696 8.026 1.00 0.00 C ATOM 745 O VAL A 54 0.854 2.508 7.644 1.00 0.00 O ATOM 746 CB VAL A 54 2.198 4.740 9.446 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.847 3.991 10.598 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.581 6.212 9.473 1.00 0.00 C ATOM 0 H VAL A 54 1.253 5.401 7.133 1.00 0.00 H new ATOM 0 HA VAL A 54 3.676 4.050 8.032 1.00 0.00 H new ATOM 0 HB VAL A 54 1.116 4.668 9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.559 4.455 11.542 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.517 2.952 10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.931 4.028 10.491 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.297 6.644 10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.658 6.310 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.063 6.738 8.671 1.00 0.00 H new ATOM 758 N VAL A 55 2.818 1.709 8.397 1.00 0.00 N ATOM 759 CA VAL A 55 2.385 0.317 8.375 1.00 0.00 C ATOM 760 C VAL A 55 1.424 0.025 9.522 1.00 0.00 C ATOM 761 O VAL A 55 1.789 0.126 10.692 1.00 0.00 O ATOM 762 CB VAL A 55 3.583 -0.647 8.464 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.129 -2.085 8.262 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.649 -0.270 7.447 1.00 0.00 C ATOM 0 H VAL A 55 3.777 1.848 8.716 1.00 0.00 H new ATOM 0 HA VAL A 55 1.874 0.159 7.425 1.00 0.00 H new ATOM 0 HB VAL A 55 4.018 -0.564 9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.989 -2.751 8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.405 -2.350 9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.667 -2.186 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.487 -0.962 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.228 -0.321 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.997 0.744 7.643 1.00 0.00 H new ATOM 774 N ARG A 56 0.193 -0.339 9.176 1.00 0.00 N ATOM 775 CA ARG A 56 -0.823 -0.647 10.177 1.00 0.00 C ATOM 776 C ARG A 56 -1.034 -2.153 10.293 1.00 0.00 C ATOM 777 O ARG A 56 -1.274 -2.674 11.382 1.00 0.00 O ATOM 778 CB ARG A 56 -2.142 0.039 9.823 1.00 0.00 C ATOM 779 CG ARG A 56 -2.000 1.529 9.551 1.00 0.00 C ATOM 780 CD ARG A 56 -2.239 2.349 10.809 1.00 0.00 C ATOM 781 NE ARG A 56 -1.333 3.492 10.898 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.534 4.537 11.697 1.00 0.00 C ATOM 783 NH1 ARG A 56 -2.608 4.588 12.476 1.00 0.00 N ATOM 784 NH2 ARG A 56 -0.660 5.534 11.717 1.00 0.00 N ATOM 0 H ARG A 56 -0.125 -0.428 8.211 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.474 -0.272 11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.568 -0.443 8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.848 -0.107 10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.002 1.736 9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.709 1.829 8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.270 2.702 10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.109 1.714 11.686 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.497 3.489 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.284 3.824 12.464 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.757 5.391 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.166 5.500 11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.814 6.335 12.329 1.00 0.00 H new ATOM 798 N PHE A 57 -0.944 -2.846 9.162 1.00 0.00 N ATOM 799 CA PHE A 57 -1.125 -4.293 9.137 1.00 0.00 C ATOM 800 C PHE A 57 0.034 -4.974 8.417 1.00 0.00 C ATOM 801 O PHE A 57 0.760 -4.340 7.650 1.00 0.00 O ATOM 802 CB PHE A 57 -2.446 -4.651 8.453 1.00 0.00 C ATOM 803 CG PHE A 57 -2.907 -6.052 8.734 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.493 -7.105 7.934 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.753 -6.317 9.800 1.00 0.00 C ATOM 806 CE1 PHE A 57 -2.916 -8.396 8.190 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.179 -7.606 10.061 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.759 -8.647 9.255 1.00 0.00 C ATOM 0 H PHE A 57 -0.747 -2.429 8.252 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.149 -4.649 10.167 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.216 -3.952 8.779 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.335 -4.523 7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.832 -6.915 7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.083 -5.507 10.434 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.588 -9.208 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.839 -7.799 10.894 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.089 -9.655 9.457 1.00 0.00 H new ATOM 818 N LEU A 58 0.202 -6.268 8.668 1.00 0.00 N ATOM 819 CA LEU A 58 1.272 -7.035 8.043 1.00 0.00 C ATOM 820 C LEU A 58 0.935 -8.523 8.019 1.00 0.00 C ATOM 821 O LEU A 58 0.988 -9.198 9.048 1.00 0.00 O ATOM 822 CB LEU A 58 2.590 -6.810 8.788 1.00 0.00 C ATOM 823 CG LEU A 58 3.848 -7.205 8.012 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.192 -6.144 6.978 1.00 0.00 C ATOM 825 CD2 LEU A 58 5.014 -7.422 8.966 1.00 0.00 C ATOM 0 H LEU A 58 -0.390 -6.807 9.300 1.00 0.00 H new ATOM 0 HA LEU A 58 1.379 -6.690 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.663 -5.756 9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.564 -7.375 9.720 1.00 0.00 H new ATOM 0 HG LEU A 58 3.652 -8.141 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.089 -6.442 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.364 -6.036 6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.370 -5.192 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.901 -7.702 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.211 -6.501 9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.766 -8.218 9.668 1.00 0.00 H new ATOM 837 N GLY A 59 0.587 -9.026 6.840 1.00 0.00 N ATOM 838 CA GLY A 59 0.246 -10.430 6.705 1.00 0.00 C ATOM 839 C GLY A 59 -0.087 -10.812 5.276 1.00 0.00 C ATOM 840 O GLY A 59 0.227 -10.076 4.341 1.00 0.00 O ATOM 0 H GLY A 59 0.535 -8.487 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.080 -11.038 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.606 -10.657 7.346 1.00 0.00 H new ATOM 844 N GLU A 60 -0.723 -11.966 5.107 1.00 0.00 N ATOM 845 CA GLU A 60 -1.098 -12.444 3.781 1.00 0.00 C ATOM 846 C GLU A 60 -2.438 -11.858 3.350 1.00 0.00 C ATOM 847 O GLU A 60 -3.440 -11.987 4.054 1.00 0.00 O ATOM 848 CB GLU A 60 -1.170 -13.972 3.769 1.00 0.00 C ATOM 849 CG GLU A 60 0.040 -14.644 4.400 1.00 0.00 C ATOM 850 CD GLU A 60 0.459 -15.899 3.661 1.00 0.00 C ATOM 851 OE1 GLU A 60 -0.409 -16.533 3.026 1.00 0.00 O ATOM 852 OE2 GLU A 60 1.657 -16.249 3.717 1.00 0.00 O ATOM 0 H GLU A 60 -0.990 -12.587 5.871 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.335 -12.117 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.068 -14.289 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.269 -14.315 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.873 -13.942 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.187 -14.895 5.436 1.00 0.00 H new ATOM 859 N THR A 61 -2.449 -11.212 2.188 1.00 0.00 N ATOM 860 CA THR A 61 -3.666 -10.605 1.662 1.00 0.00 C ATOM 861 C THR A 61 -4.711 -11.671 1.344 1.00 0.00 C ATOM 862 O THR A 61 -4.426 -12.867 1.393 1.00 0.00 O ATOM 863 CB THR A 61 -3.353 -9.789 0.407 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.241 -10.335 -0.281 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.045 -8.337 0.699 1.00 0.00 C ATOM 0 H THR A 61 -1.629 -11.096 1.593 1.00 0.00 H new ATOM 0 HA THR A 61 -4.071 -9.941 2.426 1.00 0.00 H new ATOM 0 HB THR A 61 -4.256 -9.836 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.481 -9.720 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.832 -7.815 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.903 -7.874 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.178 -8.274 1.356 1.00 0.00 H new ATOM 873 N ASP A 62 -5.921 -11.227 1.018 1.00 0.00 N ATOM 874 CA ASP A 62 -7.007 -12.143 0.691 1.00 0.00 C ATOM 875 C ASP A 62 -7.290 -12.140 -0.808 1.00 0.00 C ATOM 876 O ASP A 62 -7.699 -13.153 -1.375 1.00 0.00 O ATOM 877 CB ASP A 62 -8.273 -11.763 1.462 1.00 0.00 C ATOM 878 CG ASP A 62 -9.034 -12.976 1.959 1.00 0.00 C ATOM 879 OD1 ASP A 62 -9.898 -13.482 1.213 1.00 0.00 O ATOM 880 OD2 ASP A 62 -8.766 -13.421 3.096 1.00 0.00 O ATOM 0 H ASP A 62 -6.173 -10.240 0.973 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.701 -13.148 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.003 -11.134 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.922 -11.169 0.819 1.00 0.00 H new ATOM 885 N PHE A 63 -7.070 -10.993 -1.443 1.00 0.00 N ATOM 886 CA PHE A 63 -7.301 -10.858 -2.877 1.00 0.00 C ATOM 887 C PHE A 63 -6.119 -11.402 -3.674 1.00 0.00 C ATOM 888 O PHE A 63 -6.298 -12.057 -4.700 1.00 0.00 O ATOM 889 CB PHE A 63 -7.543 -9.391 -3.239 1.00 0.00 C ATOM 890 CG PHE A 63 -6.444 -8.472 -2.789 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.326 -8.267 -3.583 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.527 -7.814 -1.573 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.313 -7.423 -3.172 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.516 -6.968 -1.156 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.408 -6.772 -1.957 1.00 0.00 C ATOM 0 H PHE A 63 -6.733 -10.145 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.186 -11.440 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.657 -9.306 -4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.483 -9.066 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.246 -8.773 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.392 -7.964 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.447 -7.272 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.593 -6.461 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.617 -6.111 -1.634 1.00 0.00 H new ATOM 905 N ALA A 64 -4.911 -11.124 -3.193 1.00 0.00 N ATOM 906 CA ALA A 64 -3.700 -11.585 -3.860 1.00 0.00 C ATOM 907 C ALA A 64 -3.144 -12.835 -3.187 1.00 0.00 C ATOM 908 O ALA A 64 -3.712 -13.333 -2.215 1.00 0.00 O ATOM 909 CB ALA A 64 -2.654 -10.481 -3.873 1.00 0.00 C ATOM 0 H ALA A 64 -4.746 -10.582 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.956 -11.842 -4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.754 -10.838 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.046 -9.614 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.411 -10.198 -2.849 1.00 0.00 H new ATOM 915 N LYS A 65 -2.031 -13.338 -3.711 1.00 0.00 N ATOM 916 CA LYS A 65 -1.398 -14.531 -3.161 1.00 0.00 C ATOM 917 C LYS A 65 0.021 -14.225 -2.690 1.00 0.00 C ATOM 918 O LYS A 65 0.838 -13.703 -3.449 1.00 0.00 O ATOM 919 CB LYS A 65 -1.371 -15.649 -4.205 1.00 0.00 C ATOM 920 CG LYS A 65 -2.681 -15.808 -4.960 1.00 0.00 C ATOM 921 CD LYS A 65 -2.639 -17.000 -5.904 1.00 0.00 C ATOM 922 CE LYS A 65 -3.279 -16.675 -7.244 1.00 0.00 C ATOM 923 NZ LYS A 65 -2.477 -17.199 -8.384 1.00 0.00 N ATOM 0 H LYS A 65 -1.549 -12.938 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.984 -14.860 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.572 -15.449 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.129 -16.590 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.498 -15.933 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.888 -14.900 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.604 -17.306 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.156 -17.844 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.282 -17.100 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.387 -15.595 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.947 -16.957 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.528 -16.774 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.395 -18.233 -8.305 1.00 0.00 H new ATOM 937 N GLY A 66 0.307 -14.554 -1.434 1.00 0.00 N ATOM 938 CA GLY A 66 1.627 -14.307 -0.885 1.00 0.00 C ATOM 939 C GLY A 66 1.590 -13.396 0.326 1.00 0.00 C ATOM 940 O GLY A 66 0.620 -13.399 1.085 1.00 0.00 O ATOM 0 H GLY A 66 -0.352 -14.987 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.085 -15.256 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.259 -13.860 -1.653 1.00 0.00 H new ATOM 944 N GLU A 67 2.649 -12.614 0.508 1.00 0.00 N ATOM 945 CA GLU A 67 2.736 -11.693 1.635 1.00 0.00 C ATOM 946 C GLU A 67 2.614 -10.247 1.168 1.00 0.00 C ATOM 947 O GLU A 67 3.339 -9.811 0.273 1.00 0.00 O ATOM 948 CB GLU A 67 4.055 -11.891 2.382 1.00 0.00 C ATOM 949 CG GLU A 67 4.042 -11.340 3.799 1.00 0.00 C ATOM 950 CD GLU A 67 5.312 -11.661 4.561 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.737 -12.836 4.542 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.884 -10.737 5.177 1.00 0.00 O ATOM 0 H GLU A 67 3.459 -12.600 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 67 1.908 -11.907 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.286 -12.956 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.856 -11.409 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.908 -10.259 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.187 -11.750 4.336 1.00 0.00 H new ATOM 959 N TRP A 68 1.695 -9.507 1.779 1.00 0.00 N ATOM 960 CA TRP A 68 1.479 -8.109 1.425 1.00 0.00 C ATOM 961 C TRP A 68 1.601 -7.212 2.654 1.00 0.00 C ATOM 962 O TRP A 68 1.485 -7.677 3.788 1.00 0.00 O ATOM 963 CB TRP A 68 0.103 -7.929 0.783 1.00 0.00 C ATOM 964 CG TRP A 68 0.055 -8.363 -0.650 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.420 -9.580 -1.150 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.383 -7.584 -1.768 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.236 -9.605 -2.511 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.257 -8.391 -2.915 1.00 0.00 C ATOM 969 CE3 TRP A 68 -0.872 -6.282 -1.912 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.600 -7.938 -4.186 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.212 -5.834 -3.175 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.076 -6.660 -4.297 1.00 0.00 C ATOM 0 H TRP A 68 1.088 -9.852 2.522 1.00 0.00 H new ATOM 0 HA TRP A 68 2.247 -7.820 0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.633 -8.497 1.352 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.186 -6.880 0.847 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.798 -10.403 -0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.434 -10.398 -3.122 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -0.982 -5.638 -1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.494 -8.573 -5.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.589 -4.829 -3.298 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.352 -6.281 -5.270 1.00 0.00 H new ATOM 983 N CYS A 69 1.835 -5.925 2.420 1.00 0.00 N ATOM 984 CA CYS A 69 1.971 -4.962 3.507 1.00 0.00 C ATOM 985 C CYS A 69 0.855 -3.925 3.461 1.00 0.00 C ATOM 986 O CYS A 69 0.754 -3.150 2.509 1.00 0.00 O ATOM 987 CB CYS A 69 3.332 -4.268 3.434 1.00 0.00 C ATOM 988 SG CYS A 69 3.891 -3.570 5.005 1.00 0.00 S ATOM 0 H CYS A 69 1.934 -5.525 1.487 1.00 0.00 H new ATOM 0 HA CYS A 69 1.897 -5.505 4.449 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.075 -4.984 3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.282 -3.471 2.692 1.00 0.00 H new ATOM 0 HG CYS A 69 4.638 -2.531 4.777 1.00 0.00 H new ATOM 994 N GLY A 70 0.017 -3.917 4.494 1.00 0.00 N ATOM 995 CA GLY A 70 -1.080 -2.970 4.549 1.00 0.00 C ATOM 996 C GLY A 70 -0.661 -1.627 5.116 1.00 0.00 C ATOM 997 O GLY A 70 -0.400 -1.505 6.313 1.00 0.00 O ATOM 0 H GLY A 70 0.079 -4.549 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.483 -2.827 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.883 -3.384 5.159 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.594 -0.619 4.253 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.202 0.721 4.673 1.00 0.00 C ATOM 1003 C VAL A 71 -1.362 1.701 4.536 1.00 0.00 C ATOM 1004 O VAL A 71 -2.155 1.612 3.599 1.00 0.00 O ATOM 1005 CB VAL A 71 0.993 1.240 3.851 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.514 2.546 4.431 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.097 0.195 3.796 1.00 0.00 C ATOM 0 H VAL A 71 -0.806 -0.705 3.259 1.00 0.00 H new ATOM 0 HA VAL A 71 0.090 0.651 5.721 1.00 0.00 H new ATOM 0 HB VAL A 71 0.654 1.431 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.358 2.897 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.721 3.294 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.837 2.384 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.933 0.579 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.435 -0.031 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.715 -0.713 3.330 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.454 2.636 5.476 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.518 3.633 5.461 1.00 0.00 C ATOM 1019 C GLU A 72 -2.006 4.966 4.923 1.00 0.00 C ATOM 1020 O GLU A 72 -1.160 5.612 5.541 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.090 3.822 6.867 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.235 4.820 6.930 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.037 5.870 8.005 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -4.330 5.577 9.183 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -3.587 6.986 7.669 1.00 0.00 O ATOM 0 H GLU A 72 -0.805 2.724 6.258 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.308 3.275 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.438 2.859 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.293 4.154 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.337 5.311 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.167 4.286 7.116 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.527 5.371 3.770 1.00 0.00 N ATOM 1033 CA LEU A 73 -2.123 6.628 3.149 1.00 0.00 C ATOM 1034 C LEU A 73 -2.761 7.816 3.860 1.00 0.00 C ATOM 1035 O LEU A 73 -3.705 7.655 4.636 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.510 6.637 1.669 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.243 5.329 0.921 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.669 5.450 -0.534 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.772 4.951 1.018 1.00 0.00 C ATOM 0 H LEU A 73 -3.229 4.848 3.247 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.040 6.715 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.571 6.874 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.965 7.440 1.172 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.833 4.539 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.472 4.511 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.734 5.675 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.107 6.252 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.600 4.018 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.164 5.741 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.498 4.822 2.065 1.00 0.00 H new ATOM 1051 N ASP A 74 -2.242 9.010 3.591 1.00 0.00 N ATOM 1052 CA ASP A 74 -2.762 10.227 4.204 1.00 0.00 C ATOM 1053 C ASP A 74 -3.435 11.115 3.163 1.00 0.00 C ATOM 1054 O ASP A 74 -3.374 12.342 3.246 1.00 0.00 O ATOM 1055 CB ASP A 74 -1.634 10.994 4.898 1.00 0.00 C ATOM 1056 CG ASP A 74 -2.033 11.488 6.275 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -2.720 12.528 6.356 1.00 0.00 O ATOM 1058 OD2 ASP A 74 -1.659 10.835 7.272 1.00 0.00 O ATOM 0 H ASP A 74 -1.461 9.161 2.952 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.508 9.942 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.760 10.349 4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.342 11.844 4.281 1.00 0.00 H new ATOM 1063 N GLU A 75 -4.076 10.487 2.183 1.00 0.00 N ATOM 1064 CA GLU A 75 -4.760 11.219 1.124 1.00 0.00 C ATOM 1065 C GLU A 75 -5.794 10.332 0.431 1.00 0.00 C ATOM 1066 O GLU A 75 -5.761 9.108 0.563 1.00 0.00 O ATOM 1067 CB GLU A 75 -3.750 11.740 0.101 1.00 0.00 C ATOM 1068 CG GLU A 75 -3.266 13.152 0.390 1.00 0.00 C ATOM 1069 CD GLU A 75 -3.070 13.970 -0.870 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -4.056 14.163 -1.613 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -1.931 14.420 -1.116 1.00 0.00 O ATOM 0 H GLU A 75 -4.136 9.472 2.100 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.277 12.065 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.892 11.069 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.203 11.716 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.986 13.654 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.325 13.105 0.938 1.00 0.00 H new ATOM 1078 N PRO A 76 -6.729 10.940 -0.319 1.00 0.00 N ATOM 1079 CA PRO A 76 -7.774 10.200 -1.032 1.00 0.00 C ATOM 1080 C PRO A 76 -7.231 9.455 -2.248 1.00 0.00 C ATOM 1081 O PRO A 76 -7.647 9.705 -3.379 1.00 0.00 O ATOM 1082 CB PRO A 76 -8.749 11.296 -1.464 1.00 0.00 C ATOM 1083 CG PRO A 76 -7.910 12.522 -1.580 1.00 0.00 C ATOM 1084 CD PRO A 76 -6.842 12.397 -0.527 1.00 0.00 C ATOM 0 HA PRO A 76 -8.227 9.429 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.226 11.051 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.546 11.429 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.470 12.601 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -8.508 13.420 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.898 12.829 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -7.122 12.913 0.392 1.00 0.00 H new ATOM 1092 N LEU A 77 -6.300 8.537 -2.007 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.702 7.754 -3.083 1.00 0.00 C ATOM 1094 C LEU A 77 -6.025 6.270 -2.927 1.00 0.00 C ATOM 1095 O LEU A 77 -6.153 5.548 -3.915 1.00 0.00 O ATOM 1096 CB LEU A 77 -4.186 7.955 -3.105 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.720 9.400 -2.915 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.202 9.481 -2.961 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -4.336 10.302 -3.974 1.00 0.00 C ATOM 0 H LEU A 77 -5.944 8.317 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.124 8.101 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.742 7.341 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.800 7.587 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.052 9.743 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.889 10.516 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.781 8.866 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.847 9.119 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.994 11.326 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.034 9.960 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.423 10.267 -3.894 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.154 5.823 -1.681 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.460 4.428 -1.422 1.00 0.00 C ATOM 1113 C GLY A 78 -7.787 4.003 -2.017 1.00 0.00 C ATOM 1114 O GLY A 78 -8.246 4.577 -3.005 1.00 0.00 O ATOM 0 H GLY A 78 -6.052 6.402 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.666 3.804 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.477 4.257 -0.346 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.406 2.991 -1.416 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.687 2.487 -1.895 1.00 0.00 C ATOM 1120 C LYS A 79 -10.560 2.024 -0.733 1.00 0.00 C ATOM 1121 O LYS A 79 -11.708 2.448 -0.599 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.470 1.333 -2.875 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.530 1.249 -3.962 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.644 -0.159 -4.523 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.840 -0.145 -6.030 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.677 -1.500 -6.625 1.00 0.00 N ATOM 0 H LYS A 79 -8.041 2.505 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.199 3.301 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.491 1.443 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.455 0.395 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.493 1.559 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.284 1.943 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.744 -0.723 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.481 -0.673 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.834 0.236 -6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.122 0.539 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.819 -1.447 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.720 -1.854 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.379 -2.147 -6.212 1.00 0.00 H new ATOM 1140 N ASN A 80 -10.011 1.150 0.103 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.742 0.629 1.253 1.00 0.00 C ATOM 1142 C ASN A 80 -10.249 1.264 2.549 1.00 0.00 C ATOM 1143 O ASN A 80 -9.232 1.957 2.565 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.593 -0.892 1.330 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.147 -1.337 1.231 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.338 -1.057 2.116 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.814 -2.034 0.152 1.00 0.00 N ATOM 0 H ASN A 80 -9.063 0.787 0.006 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.795 0.881 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.017 -1.249 2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.168 -1.352 0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.855 -2.360 0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.517 -2.243 -0.557 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.978 1.022 3.635 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.616 1.569 4.936 1.00 0.00 C ATOM 1156 C ASP A 81 -9.930 0.513 5.798 1.00 0.00 C ATOM 1157 O ASP A 81 -10.045 0.527 7.024 1.00 0.00 O ATOM 1158 CB ASP A 81 -11.859 2.099 5.654 1.00 0.00 C ATOM 1159 CG ASP A 81 -12.882 1.010 5.918 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -12.766 0.326 6.956 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.799 0.844 5.087 1.00 0.00 O ATOM 0 H ASP A 81 -11.823 0.450 3.638 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.919 2.391 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.563 2.553 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.316 2.885 5.052 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.215 -0.400 5.148 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.522 -1.450 5.871 1.00 0.00 C ATOM 1168 C GLY A 82 -9.363 -2.702 6.024 1.00 0.00 C ATOM 1169 O GLY A 82 -9.194 -3.459 6.979 1.00 0.00 O ATOM 0 H GLY A 82 -9.103 -0.431 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.598 -1.698 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.241 -1.082 6.858 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.273 -2.920 5.079 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.144 -4.089 5.112 1.00 0.00 C ATOM 1175 C ALA A 83 -11.475 -4.566 3.702 1.00 0.00 C ATOM 1176 O ALA A 83 -11.955 -3.794 2.872 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.420 -3.774 5.879 1.00 0.00 C ATOM 0 H ALA A 83 -10.426 -2.302 4.282 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.615 -4.893 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.061 -4.655 5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.169 -3.488 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.945 -2.953 5.391 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.218 -5.844 3.438 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.490 -6.423 2.129 1.00 0.00 C ATOM 1185 C VAL A 84 -12.263 -7.731 2.256 1.00 0.00 C ATOM 1186 O VAL A 84 -11.908 -8.598 3.056 1.00 0.00 O ATOM 1187 CB VAL A 84 -10.187 -6.682 1.348 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -10.494 -7.136 -0.072 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.312 -5.438 1.338 1.00 0.00 C ATOM 0 H VAL A 84 -10.822 -6.497 4.114 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.095 -5.699 1.582 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.640 -7.480 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.561 -7.314 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.076 -8.057 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.065 -6.363 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.397 -5.641 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.851 -4.618 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.060 -5.162 2.362 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.320 -7.867 1.463 1.00 0.00 N ATOM 1200 CA ALA A 85 -14.145 -9.070 1.485 1.00 0.00 C ATOM 1201 C ALA A 85 -14.700 -9.335 2.882 1.00 0.00 C ATOM 1202 O ALA A 85 -14.987 -10.477 3.239 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.343 -10.267 0.999 1.00 0.00 C ATOM 0 H ALA A 85 -13.626 -7.158 0.796 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.989 -8.912 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.970 -11.158 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.003 -10.087 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.480 -10.415 1.649 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.849 -8.273 3.667 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.369 -8.415 5.014 1.00 0.00 C ATOM 1211 C GLY A 86 -14.271 -8.516 6.056 1.00 0.00 C ATOM 1212 O GLY A 86 -14.471 -8.150 7.214 1.00 0.00 O ATOM 0 H GLY A 86 -14.619 -7.317 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.007 -7.562 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.996 -9.305 5.065 1.00 0.00 H new ATOM 1216 N THR A 87 -13.109 -9.013 5.644 1.00 0.00 N ATOM 1217 CA THR A 87 -11.978 -9.161 6.551 1.00 0.00 C ATOM 1218 C THR A 87 -11.399 -7.801 6.926 1.00 0.00 C ATOM 1219 O THR A 87 -10.922 -7.060 6.067 1.00 0.00 O ATOM 1220 CB THR A 87 -10.893 -10.029 5.910 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.455 -10.900 4.943 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.138 -10.878 6.910 1.00 0.00 C ATOM 0 H THR A 87 -12.927 -9.320 4.688 1.00 0.00 H new ATOM 0 HA THR A 87 -12.335 -9.647 7.459 1.00 0.00 H new ATOM 0 HB THR A 87 -10.194 -9.329 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.746 -11.446 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.384 -11.469 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.652 -10.233 7.642 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.833 -11.545 7.419 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.446 -7.480 8.214 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.927 -6.208 8.704 1.00 0.00 C ATOM 1232 C ARG A 88 -9.450 -6.328 9.067 1.00 0.00 C ATOM 1233 O ARG A 88 -9.018 -7.335 9.628 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.727 -5.740 9.921 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.955 -4.238 9.958 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.323 -3.893 10.526 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.102 -3.063 9.611 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.748 -3.537 8.548 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -14.712 -4.832 8.263 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.434 -2.712 7.768 1.00 0.00 N ATOM 0 H ARG A 88 -11.838 -8.083 8.938 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.029 -5.471 7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.692 -6.246 9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.203 -6.042 10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.180 -3.767 10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.865 -3.831 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.870 -4.812 10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.200 -3.370 11.475 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.154 -2.062 9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.187 -5.471 8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.209 -5.189 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.466 -1.715 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.929 -3.074 6.953 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.680 -5.294 8.742 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.250 -5.285 9.034 1.00 0.00 C ATOM 1256 C TYR A 89 -6.900 -4.158 10.001 1.00 0.00 C ATOM 1257 O TYR A 89 -6.422 -4.402 11.108 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.446 -5.132 7.742 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.712 -6.224 6.730 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.932 -6.305 6.072 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.740 -7.173 6.433 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.178 -7.302 5.146 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.979 -8.171 5.508 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.198 -8.232 4.868 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.439 -9.226 3.947 1.00 0.00 O ATOM 0 H TYR A 89 -9.021 -4.453 8.277 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.994 -6.235 9.503 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.678 -4.167 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.383 -5.124 7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.701 -5.578 6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.784 -7.129 6.933 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.132 -7.352 4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.214 -8.900 5.287 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.647 -9.797 3.867 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.141 -2.923 9.573 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.850 -1.757 10.400 1.00 0.00 C ATOM 1277 C PHE A 90 -7.989 -0.746 10.334 1.00 0.00 C ATOM 1278 O PHE A 90 -8.319 -0.237 9.263 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.542 -1.101 9.951 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.453 -0.898 8.466 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.011 -1.920 7.640 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.809 0.313 7.895 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.927 -1.736 6.272 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.727 0.502 6.529 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.286 -0.524 5.716 1.00 0.00 C ATOM 0 H PHE A 90 -7.537 -2.704 8.659 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.745 -2.091 11.432 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.439 -0.137 10.448 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.705 -1.718 10.276 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.729 -2.870 8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.155 1.119 8.525 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.581 -2.540 5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.007 1.451 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.222 -0.379 4.648 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.585 -0.457 11.487 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.687 0.494 11.559 1.00 0.00 C ATOM 1297 C GLN A 91 -9.217 1.899 11.193 1.00 0.00 C ATOM 1298 O GLN A 91 -8.496 2.541 11.956 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.296 0.498 12.962 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.654 1.175 13.034 1.00 0.00 C ATOM 1301 CD GLN A 91 -11.554 2.688 12.995 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -11.240 3.327 14.000 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -11.822 3.269 11.831 1.00 0.00 N ATOM 0 H GLN A 91 -8.323 -0.868 12.383 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.447 0.185 10.842 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.393 -0.530 13.310 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.612 1.002 13.645 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.271 0.834 12.202 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.159 0.871 13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.078 2.700 11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.772 4.284 11.744 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.632 2.369 10.021 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.254 3.698 9.555 1.00 0.00 C ATOM 1314 C CYS A 92 -10.366 4.316 8.715 1.00 0.00 C ATOM 1315 O CYS A 92 -11.413 3.701 8.504 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.963 3.626 8.738 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.459 3.549 9.738 1.00 0.00 S ATOM 0 H CYS A 92 -10.229 1.850 9.377 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.089 4.329 10.428 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -8.003 2.748 8.093 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.909 4.498 8.087 1.00 0.00 H new ATOM 0 HG CYS A 92 -5.759 4.629 9.553 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.134 5.533 8.237 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.118 6.231 7.418 1.00 0.00 C ATOM 1325 C GLN A 93 -11.045 5.766 5.966 1.00 0.00 C ATOM 1326 O GLN A 93 -9.972 5.422 5.470 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.894 7.743 7.495 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.504 8.386 8.731 1.00 0.00 C ATOM 1329 CD GLN A 93 -12.375 9.581 8.399 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -13.202 9.529 7.489 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -12.193 10.670 9.138 1.00 0.00 N ATOM 0 H GLN A 93 -9.274 6.056 8.402 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.110 5.997 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.823 7.944 7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.317 8.210 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.099 7.645 9.265 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.706 8.699 9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.496 10.670 9.883 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.750 11.506 8.960 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.190 5.753 5.262 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.249 5.328 3.859 1.00 0.00 C ATOM 1342 C PRO A 94 -11.441 6.242 2.945 1.00 0.00 C ATOM 1343 O PRO A 94 -11.187 7.400 3.276 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.740 5.407 3.516 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.318 6.342 4.522 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.513 6.149 5.775 1.00 0.00 C ATOM 0 HA PRO A 94 -11.823 4.334 3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.893 5.775 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.211 4.426 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.259 7.374 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.372 6.124 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.460 7.064 6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.944 5.380 6.417 1.00 0.00 H new ATOM 1354 N LYS A 95 -11.040 5.714 1.793 1.00 0.00 N ATOM 1355 CA LYS A 95 -10.260 6.483 0.831 1.00 0.00 C ATOM 1356 C LYS A 95 -8.920 6.903 1.429 1.00 0.00 C ATOM 1357 O LYS A 95 -8.513 8.060 1.317 1.00 0.00 O ATOM 1358 CB LYS A 95 -11.042 7.718 0.377 1.00 0.00 C ATOM 1359 CG LYS A 95 -12.471 7.412 -0.043 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.597 7.290 -1.555 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.568 8.316 -2.120 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.396 8.494 -3.587 1.00 0.00 N ATOM 0 H LYS A 95 -11.242 4.757 1.503 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.068 5.848 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.058 8.446 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.518 8.183 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.798 6.484 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.133 8.200 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.618 7.423 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.936 6.287 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.591 8.002 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.418 9.272 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.076 9.201 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.428 8.818 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.564 7.588 -4.069 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.240 5.956 2.066 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.947 6.226 2.684 1.00 0.00 C ATOM 1378 C TYR A 96 -6.107 4.956 2.766 1.00 0.00 C ATOM 1379 O TYR A 96 -4.938 4.948 2.382 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.139 6.816 4.083 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.664 8.235 4.076 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.926 9.266 3.508 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.897 8.543 4.638 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -7.401 10.564 3.500 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -9.379 9.837 4.634 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.627 10.844 4.065 1.00 0.00 C ATOM 1387 OH TYR A 96 -9.104 12.134 4.058 1.00 0.00 O ATOM 0 H TYR A 96 -8.563 4.994 2.168 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.420 6.949 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.830 6.185 4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.186 6.793 4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.965 9.050 3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.488 7.757 5.085 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.815 11.354 3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.340 10.060 5.074 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.981 12.161 4.494 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.712 3.885 3.269 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.005 2.624 3.392 1.00 0.00 C ATOM 1399 C GLY A 97 -5.706 1.991 2.047 1.00 0.00 C ATOM 1400 O GLY A 97 -6.524 2.057 1.128 1.00 0.00 O ATOM 0 H GLY A 97 -7.679 3.868 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.070 2.786 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.601 1.934 3.990 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.533 1.378 1.931 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.128 0.731 0.688 1.00 0.00 C ATOM 1406 C LEU A 98 -3.273 -0.500 0.970 1.00 0.00 C ATOM 1407 O LEU A 98 -2.648 -0.605 2.024 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.355 1.713 -0.194 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.986 1.186 -1.582 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.233 1.013 -2.436 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.999 2.123 -2.261 1.00 0.00 C ATOM 0 H LEU A 98 -3.846 1.315 2.682 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.028 0.413 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.951 2.618 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.440 2.000 0.324 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.512 0.211 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.951 0.637 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.907 0.303 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.736 1.974 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.747 1.733 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.448 3.111 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.094 2.197 -1.658 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.252 -1.430 0.020 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.474 -2.655 0.167 1.00 0.00 C ATOM 1425 C PHE A 99 -1.504 -2.826 -0.997 1.00 0.00 C ATOM 1426 O PHE A 99 -1.824 -2.500 -2.139 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.404 -3.866 0.253 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.926 -4.124 1.638 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -4.945 -3.347 2.165 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.398 -5.145 2.412 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.427 -3.582 3.438 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -3.876 -5.385 3.686 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.891 -4.602 4.200 1.00 0.00 C ATOM 0 H PHE A 99 -3.764 -1.359 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.897 -2.582 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.247 -3.716 -0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.870 -4.750 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.367 -2.548 1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.604 -5.760 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.222 -2.969 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.456 -6.184 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.265 -4.787 5.196 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.315 -3.343 -0.698 1.00 0.00 N ATOM 1444 CA ALA A 100 0.703 -3.559 -1.718 1.00 0.00 C ATOM 1445 C ALA A 100 1.664 -4.672 -1.306 1.00 0.00 C ATOM 1446 O ALA A 100 1.879 -4.907 -0.117 1.00 0.00 O ATOM 1447 CB ALA A 100 1.467 -2.270 -1.982 1.00 0.00 C ATOM 0 H ALA A 100 -0.034 -3.620 0.243 1.00 0.00 H new ATOM 0 HA ALA A 100 0.204 -3.867 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.224 -2.446 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.775 -1.501 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.949 -1.938 -1.063 1.00 0.00 H new ATOM 1453 N PRO A 101 2.260 -5.373 -2.287 1.00 0.00 N ATOM 1454 CA PRO A 101 3.200 -6.464 -2.015 1.00 0.00 C ATOM 1455 C PRO A 101 4.426 -5.988 -1.244 1.00 0.00 C ATOM 1456 O PRO A 101 5.036 -4.975 -1.591 1.00 0.00 O ATOM 1457 CB PRO A 101 3.608 -6.959 -3.409 1.00 0.00 C ATOM 1458 CG PRO A 101 2.568 -6.435 -4.339 1.00 0.00 C ATOM 1459 CD PRO A 101 2.063 -5.160 -3.729 1.00 0.00 C ATOM 0 HA PRO A 101 2.748 -7.238 -1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.598 -6.593 -3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.651 -8.048 -3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.987 -6.253 -5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.759 -7.154 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.620 -4.294 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.014 -4.986 -3.970 1.00 0.00 H new ATOM 1467 N VAL A 102 4.783 -6.723 -0.195 1.00 0.00 N ATOM 1468 CA VAL A 102 5.936 -6.374 0.627 1.00 0.00 C ATOM 1469 C VAL A 102 7.199 -6.229 -0.216 1.00 0.00 C ATOM 1470 O VAL A 102 7.929 -5.247 -0.092 1.00 0.00 O ATOM 1471 CB VAL A 102 6.183 -7.425 1.727 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.082 -7.371 2.774 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.288 -8.818 1.125 1.00 0.00 C ATOM 0 H VAL A 102 4.290 -7.564 0.106 1.00 0.00 H new ATOM 0 HA VAL A 102 5.707 -5.416 1.094 1.00 0.00 H new ATOM 0 HB VAL A 102 7.130 -7.195 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.273 -8.120 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.061 -6.381 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.121 -7.573 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.462 -9.545 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.360 -9.061 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.117 -8.847 0.418 1.00 0.00 H new ATOM 1483 N HIS A 103 7.451 -7.214 -1.075 1.00 0.00 N ATOM 1484 CA HIS A 103 8.629 -7.192 -1.937 1.00 0.00 C ATOM 1485 C HIS A 103 8.667 -5.922 -2.784 1.00 0.00 C ATOM 1486 O HIS A 103 9.735 -5.477 -3.202 1.00 0.00 O ATOM 1487 CB HIS A 103 8.650 -8.425 -2.842 1.00 0.00 C ATOM 1488 CG HIS A 103 7.419 -8.580 -3.679 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.279 -8.058 -4.945 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.254 -9.223 -3.409 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.062 -8.391 -5.396 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.400 -9.100 -4.502 1.00 0.00 N ATOM 0 H HIS A 103 6.857 -8.035 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 103 9.512 -7.204 -1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.519 -8.369 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.773 -9.315 -2.225 1.00 0.00 H new ATOM 0 HD1 HIS A 103 7.978 -7.514 -5.450 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.026 -9.747 -2.492 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.674 -8.115 -6.365 1.00 0.00 H new ATOM 1500 N LYS A 104 7.496 -5.341 -3.029 1.00 0.00 N ATOM 1501 CA LYS A 104 7.402 -4.121 -3.821 1.00 0.00 C ATOM 1502 C LYS A 104 7.531 -2.885 -2.935 1.00 0.00 C ATOM 1503 O LYS A 104 7.930 -1.816 -3.397 1.00 0.00 O ATOM 1504 CB LYS A 104 6.076 -4.083 -4.585 1.00 0.00 C ATOM 1505 CG LYS A 104 6.245 -4.093 -6.096 1.00 0.00 C ATOM 1506 CD LYS A 104 5.392 -5.171 -6.748 1.00 0.00 C ATOM 1507 CE LYS A 104 5.346 -5.008 -8.258 1.00 0.00 C ATOM 1508 NZ LYS A 104 6.407 -5.804 -8.936 1.00 0.00 N ATOM 0 H LYS A 104 6.601 -5.695 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 104 8.224 -4.118 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.471 -4.940 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.524 -3.189 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.971 -3.118 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.293 -4.258 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.793 -6.154 -6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.380 -5.128 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.368 -5.318 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.464 -3.955 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.341 -5.665 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.341 -5.491 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.280 -6.812 -8.714 1.00 0.00 H new ATOM 1522 N VAL A 105 7.190 -3.038 -1.658 1.00 0.00 N ATOM 1523 CA VAL A 105 7.269 -1.934 -0.709 1.00 0.00 C ATOM 1524 C VAL A 105 8.686 -1.774 -0.170 1.00 0.00 C ATOM 1525 O VAL A 105 9.354 -2.756 0.152 1.00 0.00 O ATOM 1526 CB VAL A 105 6.302 -2.137 0.473 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.283 -0.907 1.367 1.00 0.00 C ATOM 1528 CG2 VAL A 105 4.902 -2.461 -0.029 1.00 0.00 C ATOM 0 H VAL A 105 6.857 -3.915 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 105 6.984 -1.032 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 105 6.656 -2.982 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.594 -1.070 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.284 -0.726 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.957 -0.042 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.234 -2.601 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.537 -1.640 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.931 -3.375 -0.622 1.00 0.00 H new ATOM 1538 N THR A 106 9.140 -0.528 -0.075 1.00 0.00 N ATOM 1539 CA THR A 106 10.478 -0.236 0.425 1.00 0.00 C ATOM 1540 C THR A 106 10.419 0.728 1.605 1.00 0.00 C ATOM 1541 O THR A 106 9.412 1.403 1.818 1.00 0.00 O ATOM 1542 CB THR A 106 11.343 0.355 -0.688 1.00 0.00 C ATOM 1543 OG1 THR A 106 11.099 -0.304 -1.918 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.828 0.264 -0.405 1.00 0.00 C ATOM 0 H THR A 106 8.600 0.296 -0.338 1.00 0.00 H new ATOM 0 HA THR A 106 10.924 -1.171 0.765 1.00 0.00 H new ATOM 0 HB THR A 106 11.063 1.407 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.661 0.090 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.384 0.701 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.058 0.807 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 106 13.113 -0.782 -0.289 1.00 0.00 H new ATOM 1552 N LYS A 107 11.505 0.788 2.369 1.00 0.00 N ATOM 1553 CA LYS A 107 11.576 1.671 3.527 1.00 0.00 C ATOM 1554 C LYS A 107 12.105 3.046 3.130 1.00 0.00 C ATOM 1555 O LYS A 107 12.834 3.182 2.147 1.00 0.00 O ATOM 1556 CB LYS A 107 12.469 1.056 4.609 1.00 0.00 C ATOM 1557 CG LYS A 107 11.778 0.911 5.955 1.00 0.00 C ATOM 1558 CD LYS A 107 12.034 2.115 6.845 1.00 0.00 C ATOM 1559 CE LYS A 107 13.359 1.993 7.581 1.00 0.00 C ATOM 1560 NZ LYS A 107 13.192 1.386 8.929 1.00 0.00 N ATOM 0 H LYS A 107 12.347 0.236 2.207 1.00 0.00 H new ATOM 0 HA LYS A 107 10.569 1.792 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.807 0.075 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.358 1.675 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.705 0.791 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.133 0.008 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.035 3.022 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.223 2.214 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.047 1.386 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.811 2.980 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.715 1.949 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.183 1.371 9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.561 0.414 8.920 1.00 0.00 H new ATOM 1574 N ILE A 108 11.731 4.064 3.898 1.00 0.00 N ATOM 1575 CA ILE A 108 12.169 5.429 3.625 1.00 0.00 C ATOM 1576 C ILE A 108 12.844 6.045 4.846 1.00 0.00 C ATOM 1577 O ILE A 108 12.962 5.406 5.891 1.00 0.00 O ATOM 1578 CB ILE A 108 10.988 6.322 3.200 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.867 6.254 4.239 1.00 0.00 C ATOM 1580 CG2 ILE A 108 10.474 5.904 1.830 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.889 7.405 4.151 1.00 0.00 C ATOM 0 H ILE A 108 11.126 3.970 4.714 1.00 0.00 H new ATOM 0 HA ILE A 108 12.887 5.374 2.807 1.00 0.00 H new ATOM 0 HB ILE A 108 11.336 7.353 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.324 5.317 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.307 6.238 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.640 6.544 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.274 6.001 1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.140 4.867 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.122 7.290 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.419 8.345 4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.420 7.410 3.167 1.00 0.00 H new