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+ 162:sc= -0.014 (180deg=-0.197) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0285) USER MOD Single : A 61 THR OG1 : rot -159:sc= 1.35 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -131:sc= -1.51 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0695 K(o=-0.069,f=-1.1) USER MOD Single : A 87 THR OG1 : rot 79:sc= 1.03 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.683 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 CYS SG : rot -124:sc= 1.49 USER MOD Single : A 93 GLN : amide:sc= 0.182 K(o=0.18,f=-3.3!) 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= -4.13! C(o=-4.1!,f=-4.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.330 -5.460 7.504 1.00 0.00 N ATOM 522 CA LEU A 39 8.574 -4.285 7.924 1.00 0.00 C ATOM 523 C LEU A 39 7.886 -4.533 9.264 1.00 0.00 C ATOM 524 O LEU A 39 7.636 -5.677 9.643 1.00 0.00 O ATOM 525 CB LEU A 39 7.534 -3.915 6.865 1.00 0.00 C ATOM 526 CG LEU A 39 8.064 -3.855 5.431 1.00 0.00 C ATOM 527 CD1 LEU A 39 6.913 -3.845 4.438 1.00 0.00 C ATOM 528 CD2 LEU A 39 8.946 -2.630 5.241 1.00 0.00 C ATOM 0 HA LEU A 39 9.273 -3.457 8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.722 -4.641 6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.108 -2.945 7.120 1.00 0.00 H new ATOM 0 HG LEU A 39 8.667 -4.744 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.308 -3.802 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.321 -4.752 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.284 -2.974 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.315 -2.603 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.366 -1.729 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.790 -2.679 5.929 1.00 0.00 H new ATOM 540 N LYS A 40 7.584 -3.452 9.976 1.00 0.00 N ATOM 541 CA LYS A 40 6.926 -3.551 11.273 1.00 0.00 C ATOM 542 C LYS A 40 5.888 -2.446 11.444 1.00 0.00 C ATOM 543 O LYS A 40 5.869 -1.477 10.685 1.00 0.00 O ATOM 544 CB LYS A 40 7.958 -3.474 12.400 1.00 0.00 C ATOM 545 CG LYS A 40 8.986 -2.371 12.208 1.00 0.00 C ATOM 546 CD LYS A 40 10.219 -2.880 11.480 1.00 0.00 C ATOM 547 CE LYS A 40 11.439 -2.026 11.787 1.00 0.00 C ATOM 548 NZ LYS A 40 11.924 -2.231 13.180 1.00 0.00 N ATOM 0 H LYS A 40 7.785 -2.498 9.676 1.00 0.00 H new ATOM 0 HA LYS A 40 6.417 -4.514 11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.440 -3.316 13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.474 -4.431 12.475 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.541 -1.552 11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.275 -1.969 13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.414 -3.912 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.035 -2.880 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.237 -2.268 11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.193 -0.975 11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.902 -1.886 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.316 -1.706 13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.894 -3.244 13.413 1.00 0.00 H new ATOM 562 N ILE A 41 5.028 -2.599 12.444 1.00 0.00 N ATOM 563 CA ILE A 41 3.989 -1.613 12.716 1.00 0.00 C ATOM 564 C ILE A 41 4.574 -0.361 13.359 1.00 0.00 C ATOM 565 O ILE A 41 5.034 -0.396 14.501 1.00 0.00 O ATOM 566 CB ILE A 41 2.896 -2.189 13.636 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.432 -3.553 13.124 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.723 -1.225 13.734 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.824 -3.503 11.739 1.00 0.00 C ATOM 0 H ILE A 41 5.030 -3.396 13.080 1.00 0.00 H new ATOM 0 HA ILE A 41 3.543 -1.349 11.757 1.00 0.00 H new ATOM 0 HB ILE A 41 3.315 -2.322 14.633 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.281 -4.237 13.115 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.699 -3.963 13.819 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.959 -1.647 14.388 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.066 -0.275 14.143 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.302 -1.062 12.742 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.517 -4.505 11.440 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.955 -2.845 11.747 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.561 -3.123 11.032 1.00 0.00 H new ATOM 581 N GLY A 42 4.553 0.743 12.620 1.00 0.00 N ATOM 582 CA GLY A 42 5.084 1.992 13.135 1.00 0.00 C ATOM 583 C GLY A 42 6.121 2.604 12.214 1.00 0.00 C ATOM 584 O GLY A 42 6.288 3.823 12.180 1.00 0.00 O ATOM 0 H GLY A 42 4.178 0.795 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.267 2.699 13.278 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.530 1.818 14.114 1.00 0.00 H new ATOM 588 N ASP A 43 6.819 1.756 11.466 1.00 0.00 N ATOM 589 CA ASP A 43 7.846 2.220 10.540 1.00 0.00 C ATOM 590 C ASP A 43 7.231 2.614 9.200 1.00 0.00 C ATOM 591 O ASP A 43 6.600 1.797 8.531 1.00 0.00 O ATOM 592 CB ASP A 43 8.901 1.133 10.328 1.00 0.00 C ATOM 593 CG ASP A 43 10.030 1.219 11.336 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.788 0.924 12.525 1.00 0.00 O ATOM 595 OD2 ASP A 43 11.157 1.582 10.936 1.00 0.00 O ATOM 0 H ASP A 43 6.692 0.744 11.483 1.00 0.00 H new ATOM 0 HA ASP A 43 8.322 3.099 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.429 0.153 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.309 1.218 9.321 1.00 0.00 H new ATOM 600 N ARG A 44 7.422 3.872 8.815 1.00 0.00 N ATOM 601 CA ARG A 44 6.887 4.374 7.555 1.00 0.00 C ATOM 602 C ARG A 44 7.604 3.738 6.369 1.00 0.00 C ATOM 603 O ARG A 44 8.784 3.398 6.453 1.00 0.00 O ATOM 604 CB ARG A 44 7.021 5.897 7.490 1.00 0.00 C ATOM 605 CG ARG A 44 6.434 6.610 8.699 1.00 0.00 C ATOM 606 CD ARG A 44 7.424 7.593 9.304 1.00 0.00 C ATOM 607 NE ARG A 44 7.499 8.836 8.538 1.00 0.00 N ATOM 608 CZ ARG A 44 8.505 9.702 8.628 1.00 0.00 C ATOM 609 NH1 ARG A 44 9.522 9.466 9.449 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.496 10.807 7.896 1.00 0.00 N ATOM 0 H ARG A 44 7.943 4.561 9.357 1.00 0.00 H new ATOM 0 HA ARG A 44 5.831 4.107 7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.076 6.158 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.526 6.259 6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.528 7.140 8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.144 5.875 9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.132 7.817 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.411 7.133 9.347 1.00 0.00 H new ATOM 0 HE ARG A 44 6.735 9.052 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.534 8.617 10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.291 10.133 9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.718 10.993 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.267 11.471 7.965 1.00 0.00 H new ATOM 624 N VAL A 45 6.884 3.580 5.263 1.00 0.00 N ATOM 625 CA VAL A 45 7.452 2.984 4.060 1.00 0.00 C ATOM 626 C VAL A 45 6.921 3.668 2.804 1.00 0.00 C ATOM 627 O VAL A 45 5.817 4.212 2.801 1.00 0.00 O ATOM 628 CB VAL A 45 7.143 1.478 3.979 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.922 0.715 5.039 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.649 1.232 4.124 1.00 0.00 C ATOM 0 H VAL A 45 5.906 3.857 5.175 1.00 0.00 H new ATOM 0 HA VAL A 45 8.531 3.123 4.118 1.00 0.00 H new ATOM 0 HB VAL A 45 7.455 1.113 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.691 -0.348 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.990 0.865 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.644 1.080 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.449 0.162 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.310 1.611 5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.116 1.746 3.324 1.00 0.00 H new ATOM 640 N LEU A 46 7.716 3.636 1.738 1.00 0.00 N ATOM 641 CA LEU A 46 7.327 4.253 0.475 1.00 0.00 C ATOM 642 C LEU A 46 7.066 3.193 -0.590 1.00 0.00 C ATOM 643 O LEU A 46 7.683 2.129 -0.586 1.00 0.00 O ATOM 644 CB LEU A 46 8.415 5.215 -0.002 1.00 0.00 C ATOM 645 CG LEU A 46 8.071 6.009 -1.264 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.981 7.028 -0.972 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.311 6.696 -1.815 1.00 0.00 C ATOM 0 H LEU A 46 8.633 3.189 1.724 1.00 0.00 H new ATOM 0 HA LEU A 46 6.405 4.811 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.635 5.917 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.326 4.646 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 46 7.699 5.315 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.749 7.583 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.086 6.513 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.325 7.719 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.048 7.256 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.712 7.378 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.063 5.946 -2.062 1.00 0.00 H new ATOM 659 N VAL A 47 6.148 3.493 -1.502 1.00 0.00 N ATOM 660 CA VAL A 47 5.806 2.567 -2.575 1.00 0.00 C ATOM 661 C VAL A 47 5.631 3.301 -3.900 1.00 0.00 C ATOM 662 O VAL A 47 4.829 4.229 -4.007 1.00 0.00 O ATOM 663 CB VAL A 47 4.513 1.792 -2.257 1.00 0.00 C ATOM 664 CG1 VAL A 47 4.758 0.778 -1.149 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.396 2.750 -1.877 1.00 0.00 C ATOM 0 H VAL A 47 5.627 4.370 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 47 6.633 1.862 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 47 4.205 1.251 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.834 0.240 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.525 0.071 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.091 1.296 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.491 2.184 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.691 3.322 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.204 3.432 -2.705 1.00 0.00 H new ATOM 675 N GLY A 48 6.388 2.880 -4.908 1.00 0.00 N ATOM 676 CA GLY A 48 6.302 3.510 -6.213 1.00 0.00 C ATOM 677 C GLY A 48 7.073 4.817 -6.289 1.00 0.00 C ATOM 678 O GLY A 48 7.037 5.503 -7.310 1.00 0.00 O ATOM 0 H GLY A 48 7.059 2.114 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.685 2.824 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.255 3.697 -6.453 1.00 0.00 H new ATOM 682 N GLY A 49 7.772 5.161 -5.211 1.00 0.00 N ATOM 683 CA GLY A 49 8.541 6.392 -5.191 1.00 0.00 C ATOM 684 C GLY A 49 7.662 7.627 -5.224 1.00 0.00 C ATOM 685 O GLY A 49 8.060 8.666 -5.753 1.00 0.00 O ATOM 0 H GLY A 49 7.819 4.611 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.161 6.415 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.217 6.408 -6.046 1.00 0.00 H new ATOM 689 N THR A 50 6.465 7.516 -4.657 1.00 0.00 N ATOM 690 CA THR A 50 5.528 8.634 -4.624 1.00 0.00 C ATOM 691 C THR A 50 4.541 8.483 -3.473 1.00 0.00 C ATOM 692 O THR A 50 4.297 9.429 -2.723 1.00 0.00 O ATOM 693 CB THR A 50 4.772 8.731 -5.950 1.00 0.00 C ATOM 694 OG1 THR A 50 5.584 8.293 -7.025 1.00 0.00 O ATOM 695 CG2 THR A 50 4.306 10.135 -6.272 1.00 0.00 C ATOM 0 H THR A 50 6.121 6.664 -4.214 1.00 0.00 H new ATOM 0 HA THR A 50 6.099 9.550 -4.471 1.00 0.00 H new ATOM 0 HB THR A 50 3.897 8.092 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.081 8.362 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.777 10.133 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.637 10.485 -5.486 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.168 10.799 -6.337 1.00 0.00 H new ATOM 703 N LYS A 51 3.974 7.288 -3.338 1.00 0.00 N ATOM 704 CA LYS A 51 3.013 7.015 -2.276 1.00 0.00 C ATOM 705 C LYS A 51 3.717 6.520 -1.018 1.00 0.00 C ATOM 706 O LYS A 51 4.390 5.490 -1.036 1.00 0.00 O ATOM 707 CB LYS A 51 1.988 5.979 -2.743 1.00 0.00 C ATOM 708 CG LYS A 51 0.913 6.552 -3.652 1.00 0.00 C ATOM 709 CD LYS A 51 -0.216 5.560 -3.874 1.00 0.00 C ATOM 710 CE LYS A 51 -1.389 6.204 -4.596 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.018 6.656 -5.965 1.00 0.00 N ATOM 0 H LYS A 51 4.163 6.494 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 51 2.498 7.945 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.507 5.178 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.513 5.531 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.514 7.467 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.353 6.824 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.151 4.714 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.550 5.166 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.212 5.492 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.748 7.055 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.861 7.027 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.298 7.404 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.636 5.853 -6.504 1.00 0.00 H new ATOM 725 N ALA A 52 3.556 7.261 0.074 1.00 0.00 N ATOM 726 CA ALA A 52 4.177 6.897 1.342 1.00 0.00 C ATOM 727 C ALA A 52 3.160 6.922 2.478 1.00 0.00 C ATOM 728 O ALA A 52 2.315 7.815 2.549 1.00 0.00 O ATOM 729 CB ALA A 52 5.337 7.833 1.649 1.00 0.00 C ATOM 0 H ALA A 52 3.001 8.116 0.106 1.00 0.00 H new ATOM 0 HA ALA A 52 4.559 5.880 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.792 7.550 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.081 7.763 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.971 8.858 1.713 1.00 0.00 H new ATOM 735 N GLY A 53 3.248 5.937 3.366 1.00 0.00 N ATOM 736 CA GLY A 53 2.328 5.865 4.486 1.00 0.00 C ATOM 737 C GLY A 53 2.877 5.037 5.632 1.00 0.00 C ATOM 738 O GLY A 53 3.915 4.389 5.497 1.00 0.00 O ATOM 0 H GLY A 53 3.939 5.188 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.112 6.873 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.384 5.436 4.150 1.00 0.00 H new ATOM 742 N VAL A 54 2.179 5.060 6.763 1.00 0.00 N ATOM 743 CA VAL A 54 2.601 4.305 7.936 1.00 0.00 C ATOM 744 C VAL A 54 2.007 2.901 7.930 1.00 0.00 C ATOM 745 O VAL A 54 0.852 2.708 7.549 1.00 0.00 O ATOM 746 CB VAL A 54 2.193 5.018 9.239 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.810 4.324 10.444 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.596 6.484 9.195 1.00 0.00 C ATOM 0 H VAL A 54 1.319 5.593 6.891 1.00 0.00 H new ATOM 0 HA VAL A 54 3.688 4.236 7.893 1.00 0.00 H new ATOM 0 HB VAL A 54 1.108 4.966 9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.510 4.842 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.466 3.291 10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.896 4.342 10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.299 6.971 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.677 6.561 9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.101 6.972 8.355 1.00 0.00 H new ATOM 758 N VAL A 55 2.803 1.925 8.353 1.00 0.00 N ATOM 759 CA VAL A 55 2.353 0.539 8.395 1.00 0.00 C ATOM 760 C VAL A 55 1.400 0.305 9.563 1.00 0.00 C ATOM 761 O VAL A 55 1.710 0.640 10.706 1.00 0.00 O ATOM 762 CB VAL A 55 3.542 -0.434 8.515 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.071 -1.874 8.370 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.607 -0.108 7.479 1.00 0.00 C ATOM 0 H VAL A 55 3.762 2.068 8.671 1.00 0.00 H new ATOM 0 HA VAL A 55 1.829 0.348 7.458 1.00 0.00 H new ATOM 0 HB VAL A 55 3.983 -0.318 9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.924 -2.546 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.348 -2.101 9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.603 -2.007 7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.438 -0.806 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.181 -0.193 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.966 0.909 7.634 1.00 0.00 H new ATOM 774 N ARG A 56 0.240 -0.271 9.266 1.00 0.00 N ATOM 775 CA ARG A 56 -0.759 -0.549 10.292 1.00 0.00 C ATOM 776 C ARG A 56 -1.049 -2.044 10.376 1.00 0.00 C ATOM 777 O ARG A 56 -1.171 -2.601 11.468 1.00 0.00 O ATOM 778 CB ARG A 56 -2.050 0.216 9.995 1.00 0.00 C ATOM 779 CG ARG A 56 -1.858 1.723 9.910 1.00 0.00 C ATOM 780 CD ARG A 56 -2.710 2.455 10.935 1.00 0.00 C ATOM 781 NE ARG A 56 -1.998 3.580 11.536 1.00 0.00 N ATOM 782 CZ ARG A 56 -2.597 4.578 12.181 1.00 0.00 C ATOM 783 NH1 ARG A 56 -3.919 4.596 12.310 1.00 0.00 N ATOM 784 NH2 ARG A 56 -1.874 5.562 12.698 1.00 0.00 N ATOM 0 H ARG A 56 -0.032 -0.554 8.324 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.361 -0.219 11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.467 -0.143 9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.781 -0.006 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.807 1.966 10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.117 2.067 8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.621 2.816 10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.014 1.759 11.717 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.981 3.602 11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.480 3.842 11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.373 5.364 12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.859 5.554 12.601 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.333 6.327 13.192 1.00 0.00 H new ATOM 798 N PHE A 57 -1.156 -2.687 9.219 1.00 0.00 N ATOM 799 CA PHE A 57 -1.431 -4.119 9.163 1.00 0.00 C ATOM 800 C PHE A 57 -0.340 -4.852 8.391 1.00 0.00 C ATOM 801 O PHE A 57 0.252 -4.305 7.460 1.00 0.00 O ATOM 802 CB PHE A 57 -2.792 -4.372 8.510 1.00 0.00 C ATOM 803 CG PHE A 57 -3.260 -5.795 8.630 1.00 0.00 C ATOM 804 CD1 PHE A 57 -3.950 -6.218 9.755 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.008 -6.709 7.620 1.00 0.00 C ATOM 806 CE1 PHE A 57 -4.383 -7.526 9.868 1.00 0.00 C ATOM 807 CE2 PHE A 57 -3.438 -8.018 7.728 1.00 0.00 C ATOM 808 CZ PHE A 57 -4.125 -8.427 8.854 1.00 0.00 C ATOM 0 H PHE A 57 -1.057 -2.240 8.307 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.448 -4.501 10.184 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.532 -3.715 8.966 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.735 -4.104 7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.152 -5.518 10.552 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.469 -6.395 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.922 -7.843 10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.237 -8.720 6.933 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.460 -9.450 8.941 1.00 0.00 H new ATOM 818 N LEU A 58 -0.076 -6.095 8.785 1.00 0.00 N ATOM 819 CA LEU A 58 0.944 -6.904 8.130 1.00 0.00 C ATOM 820 C LEU A 58 0.517 -8.366 8.056 1.00 0.00 C ATOM 821 O LEU A 58 0.573 -9.091 9.050 1.00 0.00 O ATOM 822 CB LEU A 58 2.275 -6.787 8.878 1.00 0.00 C ATOM 823 CG LEU A 58 3.455 -7.501 8.216 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.173 -6.567 7.255 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.417 -8.027 9.270 1.00 0.00 C ATOM 0 H LEU A 58 -0.555 -6.563 9.555 1.00 0.00 H new ATOM 0 HA LEU A 58 1.070 -6.530 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.523 -5.731 8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.146 -7.187 9.884 1.00 0.00 H new ATOM 0 HG LEU A 58 3.071 -8.348 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.009 -7.092 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.480 -6.238 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.546 -5.700 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.251 -8.532 8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.795 -7.196 9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.896 -8.731 9.919 1.00 0.00 H new ATOM 837 N GLY A 59 0.088 -8.792 6.873 1.00 0.00 N ATOM 838 CA GLY A 59 -0.343 -10.166 6.692 1.00 0.00 C ATOM 839 C GLY A 59 -0.731 -10.468 5.258 1.00 0.00 C ATOM 840 O GLY A 59 -0.027 -10.087 4.324 1.00 0.00 O ATOM 0 H GLY A 59 0.031 -8.211 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.459 -10.838 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.193 -10.366 7.345 1.00 0.00 H new ATOM 844 N GLU A 60 -1.856 -11.154 5.083 1.00 0.00 N ATOM 845 CA GLU A 60 -2.337 -11.508 3.753 1.00 0.00 C ATOM 846 C GLU A 60 -3.326 -10.468 3.238 1.00 0.00 C ATOM 847 O GLU A 60 -3.885 -9.691 4.011 1.00 0.00 O ATOM 848 CB GLU A 60 -2.996 -12.888 3.776 1.00 0.00 C ATOM 849 CG GLU A 60 -2.037 -14.026 3.467 1.00 0.00 C ATOM 850 CD GLU A 60 -2.652 -15.077 2.564 1.00 0.00 C ATOM 851 OE1 GLU A 60 -3.145 -14.711 1.477 1.00 0.00 O ATOM 852 OE2 GLU A 60 -2.639 -16.267 2.943 1.00 0.00 O ATOM 0 H GLU A 60 -2.452 -11.476 5.846 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.480 -11.534 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.439 -13.054 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.811 -12.904 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.142 -13.623 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.721 -14.493 4.400 1.00 0.00 H new ATOM 859 N THR A 61 -3.539 -10.460 1.926 1.00 0.00 N ATOM 860 CA THR A 61 -4.461 -9.517 1.304 1.00 0.00 C ATOM 861 C THR A 61 -5.727 -10.218 0.814 1.00 0.00 C ATOM 862 O THR A 61 -6.698 -9.564 0.434 1.00 0.00 O ATOM 863 CB THR A 61 -3.778 -8.796 0.141 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.651 -9.527 -0.310 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.309 -7.401 0.493 1.00 0.00 C ATOM 0 H THR A 61 -3.084 -11.097 1.272 1.00 0.00 H new ATOM 0 HA THR A 61 -4.750 -8.786 2.059 1.00 0.00 H new ATOM 0 HB THR A 61 -4.538 -8.721 -0.637 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.050 -8.930 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.834 -6.947 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.163 -6.796 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.592 -7.454 1.312 1.00 0.00 H new ATOM 873 N ASP A 62 -5.713 -11.551 0.822 1.00 0.00 N ATOM 874 CA ASP A 62 -6.862 -12.334 0.376 1.00 0.00 C ATOM 875 C ASP A 62 -7.041 -12.226 -1.135 1.00 0.00 C ATOM 876 O ASP A 62 -6.903 -13.214 -1.857 1.00 0.00 O ATOM 877 CB ASP A 62 -8.136 -11.871 1.088 1.00 0.00 C ATOM 878 CG ASP A 62 -9.051 -13.027 1.446 1.00 0.00 C ATOM 879 OD1 ASP A 62 -8.687 -13.814 2.344 1.00 0.00 O ATOM 880 OD2 ASP A 62 -10.130 -13.144 0.828 1.00 0.00 O ATOM 0 H ASP A 62 -4.918 -12.110 1.133 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.675 -13.378 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.866 -11.330 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.673 -11.171 0.448 1.00 0.00 H new ATOM 885 N PHE A 63 -7.349 -11.022 -1.607 1.00 0.00 N ATOM 886 CA PHE A 63 -7.547 -10.789 -3.034 1.00 0.00 C ATOM 887 C PHE A 63 -6.300 -11.171 -3.828 1.00 0.00 C ATOM 888 O PHE A 63 -6.390 -11.566 -4.989 1.00 0.00 O ATOM 889 CB PHE A 63 -7.901 -9.323 -3.289 1.00 0.00 C ATOM 890 CG PHE A 63 -6.861 -8.358 -2.796 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.733 -8.087 -3.554 1.00 0.00 C ATOM 892 CD2 PHE A 63 -7.012 -7.721 -1.575 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.775 -7.198 -3.104 1.00 0.00 C ATOM 894 CE2 PHE A 63 -6.057 -6.831 -1.120 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.938 -6.569 -1.885 1.00 0.00 C ATOM 0 H PHE A 63 -7.467 -10.194 -1.024 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.373 -11.417 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.045 -9.174 -4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.852 -9.098 -2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.601 -8.576 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.885 -7.922 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.900 -6.995 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.186 -6.341 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.191 -5.874 -1.531 1.00 0.00 H new ATOM 905 N ALA A 64 -5.138 -11.051 -3.192 1.00 0.00 N ATOM 906 CA ALA A 64 -3.875 -11.386 -3.839 1.00 0.00 C ATOM 907 C ALA A 64 -3.189 -12.550 -3.131 1.00 0.00 C ATOM 908 O ALA A 64 -3.520 -12.879 -1.992 1.00 0.00 O ATOM 909 CB ALA A 64 -2.960 -10.171 -3.870 1.00 0.00 C ATOM 0 H ALA A 64 -5.046 -10.724 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.088 -11.692 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.021 -10.435 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.442 -9.367 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.761 -9.839 -2.851 1.00 0.00 H new ATOM 915 N LYS A 65 -2.231 -13.169 -3.814 1.00 0.00 N ATOM 916 CA LYS A 65 -1.498 -14.296 -3.251 1.00 0.00 C ATOM 917 C LYS A 65 -0.207 -13.829 -2.587 1.00 0.00 C ATOM 918 O LYS A 65 0.188 -12.671 -2.721 1.00 0.00 O ATOM 919 CB LYS A 65 -1.184 -15.323 -4.339 1.00 0.00 C ATOM 920 CG LYS A 65 -2.259 -16.386 -4.504 1.00 0.00 C ATOM 921 CD LYS A 65 -1.660 -17.781 -4.593 1.00 0.00 C ATOM 922 CE LYS A 65 -1.782 -18.525 -3.273 1.00 0.00 C ATOM 923 NZ LYS A 65 -0.910 -19.732 -3.232 1.00 0.00 N ATOM 0 H LYS A 65 -1.945 -12.909 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.127 -14.763 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.050 -14.804 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.237 -15.810 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.950 -16.339 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.839 -16.181 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.164 -18.345 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.610 -17.710 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.516 -17.857 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.819 -18.821 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.023 -20.211 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.180 -20.382 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.083 -19.447 -3.354 1.00 0.00 H new ATOM 937 N GLY A 66 0.448 -14.738 -1.873 1.00 0.00 N ATOM 938 CA GLY A 66 1.688 -14.400 -1.200 1.00 0.00 C ATOM 939 C GLY A 66 1.461 -13.623 0.081 1.00 0.00 C ATOM 940 O GLY A 66 0.596 -13.975 0.883 1.00 0.00 O ATOM 0 H GLY A 66 0.142 -15.703 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.236 -15.315 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.313 -13.812 -1.872 1.00 0.00 H new ATOM 944 N GLU A 67 2.239 -12.563 0.274 1.00 0.00 N ATOM 945 CA GLU A 67 2.118 -11.733 1.467 1.00 0.00 C ATOM 946 C GLU A 67 2.171 -10.252 1.108 1.00 0.00 C ATOM 947 O GLU A 67 3.092 -9.800 0.429 1.00 0.00 O ATOM 948 CB GLU A 67 3.232 -12.068 2.461 1.00 0.00 C ATOM 949 CG GLU A 67 3.010 -11.479 3.844 1.00 0.00 C ATOM 950 CD GLU A 67 2.681 -12.533 4.883 1.00 0.00 C ATOM 951 OE1 GLU A 67 3.399 -13.554 4.941 1.00 0.00 O ATOM 952 OE2 GLU A 67 1.706 -12.339 5.639 1.00 0.00 O ATOM 0 H GLU A 67 2.960 -12.259 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 67 1.153 -11.942 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.318 -13.151 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.181 -11.703 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.905 -10.938 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.198 -10.753 3.799 1.00 0.00 H new ATOM 959 N TRP A 68 1.176 -9.502 1.570 1.00 0.00 N ATOM 960 CA TRP A 68 1.107 -8.071 1.298 1.00 0.00 C ATOM 961 C TRP A 68 1.209 -7.266 2.589 1.00 0.00 C ATOM 962 O TRP A 68 0.843 -7.746 3.662 1.00 0.00 O ATOM 963 CB TRP A 68 -0.196 -7.729 0.572 1.00 0.00 C ATOM 964 CG TRP A 68 -0.220 -8.188 -0.854 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.116 -9.425 -1.322 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.600 -7.414 -1.997 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.032 -9.467 -2.688 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.470 -8.245 -3.126 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.038 -6.098 -2.176 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.763 -7.803 -4.414 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.327 -5.661 -3.455 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.190 -6.511 -4.559 1.00 0.00 C ATOM 0 H TRP A 68 0.406 -9.861 2.135 1.00 0.00 H new ATOM 0 HA TRP A 68 1.950 -7.808 0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.031 -8.183 1.106 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.347 -6.650 0.601 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.449 -10.250 -0.709 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.154 -10.277 -3.280 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.148 -5.435 -1.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.657 -8.456 -5.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.664 -4.646 -3.605 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.426 -6.139 -5.545 1.00 0.00 H new ATOM 983 N CYS A 69 1.711 -6.040 2.479 1.00 0.00 N ATOM 984 CA CYS A 69 1.862 -5.169 3.639 1.00 0.00 C ATOM 985 C CYS A 69 0.828 -4.047 3.615 1.00 0.00 C ATOM 986 O CYS A 69 0.858 -3.182 2.740 1.00 0.00 O ATOM 987 CB CYS A 69 3.272 -4.578 3.680 1.00 0.00 C ATOM 988 SG CYS A 69 3.712 -3.827 5.265 1.00 0.00 S ATOM 0 H CYS A 69 2.020 -5.628 1.599 1.00 0.00 H new ATOM 0 HA CYS A 69 1.701 -5.768 4.535 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.991 -5.365 3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.362 -3.826 2.896 1.00 0.00 H new ATOM 0 HG CYS A 69 4.212 -2.645 5.061 1.00 0.00 H new ATOM 994 N GLY A 70 -0.084 -4.069 4.582 1.00 0.00 N ATOM 995 CA GLY A 70 -1.113 -3.049 4.652 1.00 0.00 C ATOM 996 C GLY A 70 -0.592 -1.736 5.202 1.00 0.00 C ATOM 997 O GLY A 70 -0.399 -1.593 6.409 1.00 0.00 O ATOM 0 H GLY A 70 -0.128 -4.774 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.525 -2.884 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.930 -3.404 5.280 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.363 -0.775 4.313 1.00 0.00 N ATOM 1002 CA VAL A 71 0.140 0.533 4.716 1.00 0.00 C ATOM 1003 C VAL A 71 -0.922 1.611 4.527 1.00 0.00 C ATOM 1004 O VAL A 71 -1.518 1.728 3.456 1.00 0.00 O ATOM 1005 CB VAL A 71 1.399 0.922 3.916 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.998 2.213 4.453 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.425 -0.202 3.951 1.00 0.00 C ATOM 0 H VAL A 71 -0.518 -0.877 3.310 1.00 0.00 H new ATOM 0 HA VAL A 71 0.398 0.461 5.773 1.00 0.00 H new ATOM 0 HB VAL A 71 1.108 1.087 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.886 2.470 3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.266 3.016 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.273 2.079 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.306 0.092 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.711 -0.402 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.993 -1.102 3.514 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.152 2.398 5.572 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.143 3.467 5.521 1.00 0.00 C ATOM 1019 C GLU A 72 -1.520 4.761 5.007 1.00 0.00 C ATOM 1020 O GLU A 72 -0.492 5.210 5.513 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.751 3.694 6.906 1.00 0.00 C ATOM 1022 CG GLU A 72 -3.927 4.658 6.903 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.698 5.862 7.796 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.108 6.852 7.318 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.110 5.814 8.975 1.00 0.00 O ATOM 0 H GLU A 72 -0.666 2.316 6.465 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.932 3.166 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.078 2.737 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.980 4.077 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.112 4.997 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.824 4.132 7.231 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.150 5.356 4.000 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.659 6.599 3.418 1.00 0.00 C ATOM 1034 C LEU A 73 -2.189 7.807 4.184 1.00 0.00 C ATOM 1035 O LEU A 73 -3.196 7.714 4.887 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.066 6.695 1.946 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.905 5.403 1.144 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.433 5.585 -0.270 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.448 4.970 1.120 1.00 0.00 C ATOM 0 H LEU A 73 -3.002 4.997 3.570 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.571 6.597 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.108 7.010 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.472 7.476 1.471 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.488 4.620 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.310 4.656 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.490 5.849 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.878 6.381 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.352 4.049 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.156 5.751 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.102 4.799 2.140 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.505 8.937 4.044 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.909 10.164 4.722 1.00 0.00 C ATOM 1053 C ASP A 74 -2.906 10.950 3.878 1.00 0.00 C ATOM 1054 O ASP A 74 -3.841 11.554 4.405 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.684 11.029 5.026 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.021 10.654 6.336 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -0.688 10.750 7.388 1.00 0.00 O ATOM 1058 OD2 ASP A 74 1.165 10.264 6.312 1.00 0.00 O ATOM 0 H ASP A 74 -0.669 9.029 3.468 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.393 9.890 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.038 10.929 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.982 12.077 5.060 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.701 10.938 2.565 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.583 11.651 1.647 1.00 0.00 C ATOM 1065 C GLU A 75 -4.711 10.743 1.163 1.00 0.00 C ATOM 1066 O GLU A 75 -4.614 9.519 1.247 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.789 12.181 0.453 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.240 13.583 0.663 1.00 0.00 C ATOM 1069 CD GLU A 75 -2.387 14.457 -0.567 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -2.225 13.934 -1.690 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -2.663 15.665 -0.408 1.00 0.00 O ATOM 0 H GLU A 75 -1.932 10.443 2.113 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.023 12.492 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.961 11.502 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.430 12.179 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.758 14.050 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.186 13.520 0.935 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.801 11.335 0.644 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.951 10.573 0.144 1.00 0.00 C ATOM 1080 C PRO A 76 -6.629 9.821 -1.144 1.00 0.00 C ATOM 1081 O PRO A 76 -7.220 10.082 -2.193 1.00 0.00 O ATOM 1082 CB PRO A 76 -8.007 11.650 -0.111 1.00 0.00 C ATOM 1083 CG PRO A 76 -7.226 12.894 -0.357 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.998 12.790 0.504 1.00 0.00 C ATOM 0 HA PRO A 76 -7.271 9.805 0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.631 11.398 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.672 11.763 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.958 12.984 -1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.809 13.778 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.138 13.269 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.144 13.271 1.471 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.689 8.885 -1.058 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.289 8.095 -2.215 1.00 0.00 C ATOM 1094 C LEU A 77 -5.715 6.638 -2.057 1.00 0.00 C ATOM 1095 O LEU A 77 -5.981 5.949 -3.041 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.773 8.175 -2.414 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.185 9.585 -2.333 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.673 9.524 -2.178 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.565 10.392 -3.566 1.00 0.00 C ATOM 0 H LEU A 77 -5.190 8.656 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.788 8.507 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.289 7.552 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.526 7.750 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.600 10.082 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.272 10.536 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.422 8.983 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.240 9.009 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.138 11.392 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.179 9.898 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.651 10.464 -3.633 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.777 6.176 -0.812 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.171 4.804 -0.549 1.00 0.00 C ATOM 1113 C GLY A 78 -7.538 4.473 -1.115 1.00 0.00 C ATOM 1114 O GLY A 78 -8.213 5.338 -1.671 1.00 0.00 O ATOM 0 H GLY A 78 -5.562 6.727 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.431 4.128 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.175 4.631 0.527 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.946 3.216 -0.972 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.241 2.772 -1.474 1.00 0.00 C ATOM 1120 C LYS A 79 -9.967 1.926 -0.434 1.00 0.00 C ATOM 1121 O LYS A 79 -11.148 2.137 -0.161 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.064 1.973 -2.766 1.00 0.00 C ATOM 1123 CG LYS A 79 -8.102 2.617 -3.753 1.00 0.00 C ATOM 1124 CD LYS A 79 -8.494 2.317 -5.191 1.00 0.00 C ATOM 1125 CE LYS A 79 -7.613 1.235 -5.795 1.00 0.00 C ATOM 1126 NZ LYS A 79 -8.334 0.447 -6.832 1.00 0.00 N ATOM 0 H LYS A 79 -7.399 2.488 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.844 3.656 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.704 0.974 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.036 1.852 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.087 3.696 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.091 2.254 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.536 2.001 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.416 3.226 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.728 1.692 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.267 0.567 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.699 -0.280 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.165 -0.010 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.642 1.080 -7.597 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.253 0.965 0.144 1.00 0.00 N ATOM 1141 CA ASN A 80 -9.830 0.087 1.155 1.00 0.00 C ATOM 1142 C ASN A 80 -9.801 0.746 2.529 1.00 0.00 C ATOM 1143 O ASN A 80 -8.817 1.383 2.903 1.00 0.00 O ATOM 1144 CB ASN A 80 -9.073 -1.242 1.198 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.515 -2.196 0.106 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.692 -2.243 -0.253 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.572 -2.963 -0.428 1.00 0.00 N ATOM 0 H ASN A 80 -8.274 0.775 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.869 -0.103 0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.004 -1.051 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.224 -1.712 2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.810 -3.625 -1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.609 -2.891 -0.100 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.888 0.590 3.278 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.988 1.170 4.611 1.00 0.00 C ATOM 1156 C ASP A 81 -10.682 0.128 5.683 1.00 0.00 C ATOM 1157 O ASP A 81 -11.223 0.182 6.788 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.385 1.752 4.835 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.477 0.713 4.669 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.905 0.481 3.519 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.904 0.133 5.689 1.00 0.00 O ATOM 0 H ASP A 81 -11.712 0.066 2.983 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.252 1.970 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.442 2.178 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.553 2.568 4.132 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.812 -0.819 5.348 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.449 -1.860 6.292 1.00 0.00 C ATOM 1168 C GLY A 82 -10.439 -3.008 6.297 1.00 0.00 C ATOM 1169 O GLY A 82 -10.616 -3.679 7.315 1.00 0.00 O ATOM 0 H GLY A 82 -9.352 -0.884 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.458 -2.240 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.387 -1.433 7.293 1.00 0.00 H new ATOM 1173 N ALA A 83 -11.084 -3.237 5.159 1.00 0.00 N ATOM 1174 CA ALA A 83 -12.061 -4.312 5.036 1.00 0.00 C ATOM 1175 C ALA A 83 -12.097 -4.862 3.613 1.00 0.00 C ATOM 1176 O ALA A 83 -12.338 -4.125 2.658 1.00 0.00 O ATOM 1177 CB ALA A 83 -13.441 -3.821 5.448 1.00 0.00 C ATOM 0 H ALA A 83 -10.948 -2.692 4.308 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.760 -5.120 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.160 -4.634 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.413 -3.483 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.740 -2.994 4.804 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.853 -6.162 3.482 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.857 -6.812 2.176 1.00 0.00 C ATOM 1185 C VAL A 84 -12.381 -8.240 2.274 1.00 0.00 C ATOM 1186 O VAL A 84 -11.885 -9.040 3.066 1.00 0.00 O ATOM 1187 CB VAL A 84 -10.447 -6.837 1.556 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -10.502 -7.334 0.119 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.808 -5.458 1.628 1.00 0.00 C ATOM 0 H VAL A 84 -11.650 -6.786 4.263 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.518 -6.228 1.535 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.830 -7.529 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.496 -7.344 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.914 -8.343 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.135 -6.671 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.813 -5.495 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.422 -4.743 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.731 -5.147 2.670 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.388 -8.553 1.464 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.980 -9.886 1.459 1.00 0.00 C ATOM 1201 C ALA A 85 -14.466 -10.278 2.850 1.00 0.00 C ATOM 1202 O ALA A 85 -14.476 -11.457 3.206 1.00 0.00 O ATOM 1203 CB ALA A 85 -12.977 -10.906 0.941 1.00 0.00 C ATOM 0 H ALA A 85 -13.811 -7.901 0.803 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.843 -9.870 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.432 -11.897 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.683 -10.643 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.097 -10.910 1.584 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.868 -9.282 3.633 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.349 -9.544 4.976 1.00 0.00 C ATOM 1211 C GLY A 86 -14.221 -9.791 5.960 1.00 0.00 C ATOM 1212 O GLY A 86 -14.410 -10.467 6.972 1.00 0.00 O ATOM 0 H GLY A 86 -14.869 -8.299 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.945 -8.697 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.009 -10.412 4.959 1.00 0.00 H new ATOM 1216 N THR A 87 -13.048 -9.241 5.665 1.00 0.00 N ATOM 1217 CA THR A 87 -11.886 -9.407 6.532 1.00 0.00 C ATOM 1218 C THR A 87 -11.362 -8.054 7.002 1.00 0.00 C ATOM 1219 O THR A 87 -10.986 -7.207 6.192 1.00 0.00 O ATOM 1220 CB THR A 87 -10.781 -10.169 5.800 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.334 -11.063 4.850 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.896 -10.974 6.727 1.00 0.00 C ATOM 0 H THR A 87 -12.876 -8.677 4.833 1.00 0.00 H new ATOM 0 HA THR A 87 -12.195 -9.981 7.406 1.00 0.00 H new ATOM 0 HB THR A 87 -10.173 -9.405 5.316 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.601 -10.565 4.049 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.133 -11.490 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.416 -10.306 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.501 -11.706 7.263 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.340 -7.858 8.317 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.861 -6.609 8.896 1.00 0.00 C ATOM 1232 C ARG A 88 -9.345 -6.632 9.064 1.00 0.00 C ATOM 1233 O ARG A 88 -8.779 -7.613 9.547 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.536 -6.356 10.247 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.097 -4.949 10.393 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.561 -4.964 10.806 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.435 -4.457 9.749 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.924 -5.209 8.764 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -14.629 -6.501 8.692 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.712 -4.666 7.846 1.00 0.00 N ATOM 0 H ARG A 88 -11.649 -8.549 9.001 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.118 -5.799 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.343 -7.076 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.814 -6.535 11.044 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.516 -4.401 11.135 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.991 -4.416 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.855 -5.982 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.690 -4.360 11.704 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.685 -3.468 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.023 -6.926 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.008 -7.069 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.943 -3.674 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.087 -5.241 7.091 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.693 -5.546 8.663 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.242 -5.441 8.769 1.00 0.00 C ATOM 1256 C TYR A 89 -6.846 -4.421 9.832 1.00 0.00 C ATOM 1257 O TYR A 89 -6.249 -4.770 10.850 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.639 -5.049 7.419 1.00 0.00 C ATOM 1259 CG TYR A 89 -7.020 -5.981 6.291 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.289 -5.938 5.728 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -6.111 -6.904 5.789 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.642 -6.788 4.697 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -6.455 -7.757 4.758 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.721 -7.695 4.216 1.00 0.00 C ATOM 1265 OH TYR A 89 -8.068 -8.544 3.189 1.00 0.00 O ATOM 0 H TYR A 89 -9.147 -4.725 8.261 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.853 -6.415 9.064 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.959 -4.038 7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.553 -5.026 7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.012 -5.228 6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.119 -6.956 6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.633 -6.742 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.736 -8.468 4.379 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.306 -9.119 2.968 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.182 -3.159 9.586 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.862 -2.086 10.522 1.00 0.00 C ATOM 1277 C PHE A 90 -7.931 -0.999 10.491 1.00 0.00 C ATOM 1278 O PHE A 90 -8.303 -0.510 9.424 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.496 -1.484 10.191 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.360 -1.058 8.757 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.180 -2.000 7.756 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.413 0.282 8.410 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.056 -1.612 6.435 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.288 0.676 7.091 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.110 -0.272 6.102 1.00 0.00 C ATOM 0 H PHE A 90 -7.675 -2.854 8.747 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.831 -2.510 11.526 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.322 -0.623 10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.721 -2.215 10.420 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.136 -3.049 8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.554 1.027 9.179 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.917 -2.355 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.329 1.724 6.834 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.013 0.034 5.071 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.423 -0.625 11.668 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.450 0.405 11.775 1.00 0.00 C ATOM 1297 C GLN A 91 -8.880 1.780 11.440 1.00 0.00 C ATOM 1298 O GLN A 91 -8.044 2.313 12.170 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.046 0.414 13.184 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.562 0.521 13.202 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.049 1.946 13.038 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.378 2.620 14.016 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.098 2.417 11.797 1.00 0.00 N ATOM 0 H GLN A 91 -8.127 -1.020 12.561 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.237 0.175 11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.748 -0.498 13.701 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.624 1.250 13.743 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.975 -0.094 12.403 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.940 0.118 14.142 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.816 1.825 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.417 3.370 11.626 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.340 2.351 10.331 1.00 0.00 N ATOM 1313 CA CYS A 92 -8.878 3.664 9.898 1.00 0.00 C ATOM 1314 C CYS A 92 -9.953 4.375 9.081 1.00 0.00 C ATOM 1315 O CYS A 92 -11.036 3.834 8.857 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.596 3.533 9.073 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.801 2.607 7.534 1.00 0.00 S ATOM 0 H CYS A 92 -10.033 1.924 9.716 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.668 4.259 10.787 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.224 4.530 8.838 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.834 3.044 9.680 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.962 1.614 7.510 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.646 5.590 8.637 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.588 6.373 7.844 1.00 0.00 C ATOM 1325 C GLN A 93 -10.622 5.882 6.398 1.00 0.00 C ATOM 1326 O GLN A 93 -9.591 5.513 5.837 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.210 7.855 7.882 1.00 0.00 C ATOM 1328 CG GLN A 93 -10.145 8.429 9.289 1.00 0.00 C ATOM 1329 CD GLN A 93 -8.721 8.606 9.781 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -7.811 7.897 9.351 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -8.522 9.555 10.687 1.00 0.00 N ATOM 0 H GLN A 93 -8.754 6.053 8.812 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.581 6.247 8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.242 7.987 7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.937 8.422 7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.655 9.392 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.682 7.770 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.306 10.119 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.585 9.720 11.055 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.813 5.870 5.771 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.969 5.420 4.383 1.00 0.00 C ATOM 1342 C PRO A 94 -11.098 6.215 3.416 1.00 0.00 C ATOM 1343 O PRO A 94 -10.680 7.333 3.716 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.452 5.664 4.085 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.112 5.710 5.419 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.097 6.291 6.361 1.00 0.00 C ATOM 0 HA PRO A 94 -11.663 4.381 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.597 6.597 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.866 4.867 3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.012 6.324 5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.416 4.713 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.177 7.376 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.221 5.907 7.374 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.830 5.631 2.252 1.00 0.00 N ATOM 1355 CA LYS A 95 -10.011 6.285 1.237 1.00 0.00 C ATOM 1356 C LYS A 95 -8.630 6.631 1.787 1.00 0.00 C ATOM 1357 O LYS A 95 -8.154 7.756 1.637 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.707 7.551 0.731 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.733 7.286 -0.359 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.691 8.456 -0.517 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.913 8.071 -1.335 1.00 0.00 C ATOM 1362 NZ LYS A 95 -15.181 8.468 -0.663 1.00 0.00 N ATOM 0 H LYS A 95 -11.168 4.706 1.988 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.884 5.591 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.199 8.045 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.955 8.242 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.222 7.102 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.295 6.383 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.006 8.805 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.176 9.286 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.858 8.546 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.913 6.994 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.990 8.187 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.247 7.996 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.193 9.499 -0.526 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.991 5.655 2.423 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.665 5.856 2.994 1.00 0.00 C ATOM 1378 C TYR A 96 -5.906 4.536 3.086 1.00 0.00 C ATOM 1379 O TYR A 96 -4.735 4.454 2.714 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.773 6.495 4.379 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.196 7.946 4.344 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.418 8.901 3.701 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.372 8.362 4.955 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.801 10.229 3.667 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.762 9.688 4.926 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.973 10.617 4.281 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.357 11.937 4.249 1.00 0.00 O ATOM 0 H TYR A 96 -8.370 4.717 2.556 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.112 6.526 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.490 5.930 4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.809 6.418 4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.499 8.601 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.992 7.637 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.185 10.959 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.680 9.995 5.406 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.206 12.042 4.727 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.580 3.505 3.584 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.952 2.202 3.716 1.00 0.00 C ATOM 1399 C GLY A 97 -5.635 1.574 2.373 1.00 0.00 C ATOM 1400 O GLY A 97 -6.531 1.334 1.565 1.00 0.00 O ATOM 0 H GLY A 97 -7.549 3.548 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.033 2.302 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.611 1.539 4.277 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.354 1.308 2.134 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.921 0.704 0.879 1.00 0.00 C ATOM 1406 C LEU A 98 -3.024 -0.503 1.136 1.00 0.00 C ATOM 1407 O LEU A 98 -2.352 -0.582 2.165 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.177 1.732 0.024 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.938 1.316 -1.427 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.190 1.543 -2.261 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.761 2.080 -2.013 1.00 0.00 C ATOM 0 H LEU A 98 -3.599 1.501 2.792 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.808 0.368 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.742 2.664 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.214 1.940 0.490 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.702 0.252 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.001 1.241 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.010 0.951 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.457 2.599 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.605 1.771 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.969 3.149 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.864 1.868 -1.432 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.020 -1.441 0.195 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.207 -2.645 0.317 1.00 0.00 C ATOM 1425 C PHE A 99 -1.240 -2.767 -0.856 1.00 0.00 C ATOM 1426 O PHE A 99 -1.579 -2.427 -1.990 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.100 -3.884 0.386 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.916 -3.968 1.644 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -5.142 -3.328 1.735 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.457 -4.686 2.737 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.896 -3.404 2.891 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -4.206 -4.765 3.896 1.00 0.00 C ATOM 1433 CZ PHE A 99 -5.427 -4.123 3.973 1.00 0.00 C ATOM 0 H PHE A 99 -3.571 -1.390 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.628 -2.571 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.771 -3.886 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.477 -4.775 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.513 -2.763 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.503 -5.190 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.850 -2.902 2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.837 -5.328 4.741 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.014 -4.183 4.878 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.035 -3.254 -0.577 1.00 0.00 N ATOM 1444 CA ALA A 100 0.978 -3.419 -1.612 1.00 0.00 C ATOM 1445 C ALA A 100 1.934 -4.560 -1.269 1.00 0.00 C ATOM 1446 O ALA A 100 2.226 -4.804 -0.098 1.00 0.00 O ATOM 1447 CB ALA A 100 1.749 -2.123 -1.806 1.00 0.00 C ATOM 0 H ALA A 100 0.263 -3.541 0.355 1.00 0.00 H new ATOM 0 HA ALA A 100 0.472 -3.672 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.502 -2.260 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.061 -1.332 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.237 -1.847 -0.871 1.00 0.00 H new ATOM 1453 N PRO A 101 2.438 -5.275 -2.291 1.00 0.00 N ATOM 1454 CA PRO A 101 3.366 -6.390 -2.086 1.00 0.00 C ATOM 1455 C PRO A 101 4.606 -5.970 -1.305 1.00 0.00 C ATOM 1456 O PRO A 101 5.155 -4.891 -1.529 1.00 0.00 O ATOM 1457 CB PRO A 101 3.753 -6.812 -3.508 1.00 0.00 C ATOM 1458 CG PRO A 101 2.663 -6.294 -4.381 1.00 0.00 C ATOM 1459 CD PRO A 101 2.145 -5.051 -3.716 1.00 0.00 C ATOM 0 HA PRO A 101 2.911 -7.190 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.718 -6.394 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.839 -7.896 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.037 -6.073 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.870 -7.034 -4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.643 -4.157 -4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.077 -4.918 -3.890 1.00 0.00 H new ATOM 1467 N VAL A 102 5.044 -6.826 -0.386 1.00 0.00 N ATOM 1468 CA VAL A 102 6.220 -6.536 0.427 1.00 0.00 C ATOM 1469 C VAL A 102 7.422 -6.182 -0.444 1.00 0.00 C ATOM 1470 O VAL A 102 8.076 -5.161 -0.228 1.00 0.00 O ATOM 1471 CB VAL A 102 6.587 -7.723 1.339 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.575 -7.864 2.465 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.685 -9.012 0.536 1.00 0.00 C ATOM 0 H VAL A 102 4.603 -7.724 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 102 5.965 -5.679 1.051 1.00 0.00 H new ATOM 0 HB VAL A 102 7.564 -7.526 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.851 -8.707 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.564 -6.951 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.584 -8.035 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.945 -9.836 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.726 -9.218 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.454 -8.906 -0.229 1.00 0.00 H new ATOM 1483 N HIS A 103 7.704 -7.025 -1.433 1.00 0.00 N ATOM 1484 CA HIS A 103 8.826 -6.792 -2.337 1.00 0.00 C ATOM 1485 C HIS A 103 8.706 -5.430 -3.014 1.00 0.00 C ATOM 1486 O HIS A 103 9.708 -4.829 -3.403 1.00 0.00 O ATOM 1487 CB HIS A 103 8.895 -7.896 -3.394 1.00 0.00 C ATOM 1488 CG HIS A 103 7.604 -8.114 -4.120 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.263 -7.472 -5.290 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.559 -8.928 -3.821 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.049 -7.905 -5.657 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.579 -8.790 -4.799 1.00 0.00 N ATOM 0 H HIS A 103 7.173 -7.873 -1.629 1.00 0.00 H new ATOM 0 HA HIS A 103 9.743 -6.805 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.671 -7.646 -4.118 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.194 -8.828 -2.914 1.00 0.00 H new ATOM 0 HD1 HIS A 103 7.833 -6.789 -5.788 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.498 -9.579 -2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.524 -7.573 -6.540 1.00 0.00 H new ATOM 1500 N LYS A 104 7.475 -4.947 -3.146 1.00 0.00 N ATOM 1501 CA LYS A 104 7.223 -3.654 -3.771 1.00 0.00 C ATOM 1502 C LYS A 104 7.307 -2.529 -2.744 1.00 0.00 C ATOM 1503 O LYS A 104 7.591 -1.381 -3.088 1.00 0.00 O ATOM 1504 CB LYS A 104 5.848 -3.650 -4.444 1.00 0.00 C ATOM 1505 CG LYS A 104 5.915 -3.668 -5.965 1.00 0.00 C ATOM 1506 CD LYS A 104 5.398 -4.980 -6.536 1.00 0.00 C ATOM 1507 CE LYS A 104 4.373 -4.745 -7.635 1.00 0.00 C ATOM 1508 NZ LYS A 104 5.014 -4.339 -8.916 1.00 0.00 N ATOM 0 H LYS A 104 6.636 -5.432 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 104 7.989 -3.486 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.283 -4.518 -4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.298 -2.765 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.328 -2.841 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.945 -3.512 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.232 -5.559 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.949 -5.573 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.794 -5.655 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.673 -3.972 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.281 -4.189 -9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.546 -3.457 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.663 -5.088 -9.232 1.00 0.00 H new ATOM 1522 N VAL A 105 7.058 -2.864 -1.481 1.00 0.00 N ATOM 1523 CA VAL A 105 7.106 -1.881 -0.407 1.00 0.00 C ATOM 1524 C VAL A 105 8.545 -1.506 -0.068 1.00 0.00 C ATOM 1525 O VAL A 105 9.305 -2.325 0.450 1.00 0.00 O ATOM 1526 CB VAL A 105 6.412 -2.405 0.866 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.313 -1.305 1.913 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.033 -2.962 0.533 1.00 0.00 C ATOM 0 H VAL A 105 6.821 -3.809 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 105 6.577 -0.997 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 105 7.015 -3.214 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.820 -1.694 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.313 -0.959 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.734 -0.473 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.558 -3.327 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.419 -2.175 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.134 -3.782 -0.178 1.00 0.00 H new ATOM 1538 N THR A 106 8.913 -0.264 -0.364 1.00 0.00 N ATOM 1539 CA THR A 106 10.260 0.221 -0.091 1.00 0.00 C ATOM 1540 C THR A 106 10.319 0.931 1.257 1.00 0.00 C ATOM 1541 O THR A 106 9.310 1.442 1.745 1.00 0.00 O ATOM 1542 CB THR A 106 10.719 1.169 -1.200 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.007 0.919 -2.400 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.196 1.056 -1.512 1.00 0.00 C ATOM 0 H THR A 106 8.296 0.425 -0.794 1.00 0.00 H new ATOM 0 HA THR A 106 10.929 -0.639 -0.059 1.00 0.00 H new ATOM 0 HB THR A 106 10.519 2.172 -0.823 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.313 1.536 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.454 1.755 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.775 1.291 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.423 0.040 -1.835 1.00 0.00 H new ATOM 1552 N LYS A 107 11.505 0.960 1.856 1.00 0.00 N ATOM 1553 CA LYS A 107 11.694 1.609 3.148 1.00 0.00 C ATOM 1554 C LYS A 107 12.211 3.034 2.972 1.00 0.00 C ATOM 1555 O LYS A 107 12.904 3.337 2.002 1.00 0.00 O ATOM 1556 CB LYS A 107 12.666 0.800 4.011 1.00 0.00 C ATOM 1557 CG LYS A 107 12.108 0.434 5.377 1.00 0.00 C ATOM 1558 CD LYS A 107 11.657 -1.017 5.427 1.00 0.00 C ATOM 1559 CE LYS A 107 12.840 -1.971 5.376 1.00 0.00 C ATOM 1560 NZ LYS A 107 13.196 -2.487 6.726 1.00 0.00 N ATOM 0 H LYS A 107 12.350 0.541 1.467 1.00 0.00 H new ATOM 0 HA LYS A 107 10.727 1.654 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.935 -0.114 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.584 1.373 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.868 0.606 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.267 1.085 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.087 -1.191 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.988 -1.220 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.604 -2.808 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.700 -1.460 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.007 -3.134 6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.446 -1.691 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.384 -2.997 7.128 1.00 0.00 H new ATOM 1574 N ILE A 108 11.866 3.904 3.916 1.00 0.00 N ATOM 1575 CA ILE A 108 12.296 5.296 3.865 1.00 0.00 C ATOM 1576 C ILE A 108 12.427 5.882 5.266 1.00 0.00 C ATOM 1577 O ILE A 108 12.091 5.232 6.255 1.00 0.00 O ATOM 1578 CB ILE A 108 11.312 6.159 3.050 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.874 5.924 3.524 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.446 5.855 1.565 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.268 7.119 4.228 1.00 0.00 C ATOM 0 H ILE A 108 11.290 3.669 4.725 1.00 0.00 H new ATOM 0 HA ILE A 108 13.270 5.308 3.376 1.00 0.00 H new ATOM 0 HB ILE A 108 11.556 7.209 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.254 5.665 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.857 5.068 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.745 6.472 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.463 6.073 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.226 4.802 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.250 6.882 4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.865 7.365 5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.252 7.972 3.549 1.00 0.00 H new