USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 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 Set 1.1: A 70 SER OG : rot 85:sc= 0.746 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot -82:sc= 2.33 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.3: A 89 LYS NZ :NH3+ -159:sc= 1.21 (180deg=-0.0129) USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= 1.1 (180deg=0.918) USER MOD Single : A 48 MET CE :methyl -140:sc= -0.0378 (180deg=-2.19) USER MOD Single : A 52 SER OG : rot -5:sc= 1.47 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -121:sc= 0.469 (180deg=-0.0468) USER MOD Single : A 94 LYS NZ :NH3+ -135:sc= 1.2 (180deg=-0.412) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.404 -8.055 0.335 1.00 0.00 N ATOM 601 CA LEU A 40 -3.106 -8.422 -1.039 1.00 0.00 C ATOM 602 C LEU A 40 -2.236 -9.677 -1.097 1.00 0.00 C ATOM 603 O LEU A 40 -1.989 -10.226 -2.171 1.00 0.00 O ATOM 604 CB LEU A 40 -2.384 -7.267 -1.736 1.00 0.00 C ATOM 605 CG LEU A 40 -3.093 -5.907 -1.671 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.284 -4.851 -2.408 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.498 -6.001 -2.252 1.00 0.00 C ATOM 0 HA LEU A 40 -4.047 -8.632 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.393 -7.162 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.239 -7.532 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.175 -5.615 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.800 -3.893 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.300 -4.760 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.171 -5.142 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.981 -5.026 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.441 -6.318 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.079 -6.727 -1.684 1.00 0.00 H new ATOM 619 N ILE A 41 -1.779 -10.131 0.062 1.00 0.00 N ATOM 620 CA ILE A 41 -0.838 -11.242 0.131 1.00 0.00 C ATOM 621 C ILE A 41 -1.562 -12.582 0.063 1.00 0.00 C ATOM 622 O ILE A 41 -2.477 -12.848 0.843 1.00 0.00 O ATOM 623 CB ILE A 41 0.006 -11.181 1.426 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.793 -9.866 1.494 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.950 -12.371 1.518 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.748 -9.662 0.337 1.00 0.00 C ATOM 0 H ILE A 41 -2.045 -9.747 0.969 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.174 -11.153 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.676 -11.223 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.089 -9.034 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.357 -9.839 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.532 -12.304 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.372 -13.295 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.624 -12.368 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.267 -8.711 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.476 -10.473 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.189 -9.655 -0.599 1.00 0.00 H new ATOM 638 N GLY A 42 -1.150 -13.415 -0.880 1.00 0.00 N ATOM 639 CA GLY A 42 -1.706 -14.745 -0.997 1.00 0.00 C ATOM 640 C GLY A 42 -2.981 -14.778 -1.809 1.00 0.00 C ATOM 641 O GLY A 42 -3.692 -15.783 -1.813 1.00 0.00 O ATOM 0 H GLY A 42 -0.434 -13.190 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.969 -15.402 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.905 -15.140 -0.001 1.00 0.00 H new ATOM 645 N ARG A 43 -3.283 -13.683 -2.497 1.00 0.00 N ATOM 646 CA ARG A 43 -4.490 -13.615 -3.306 1.00 0.00 C ATOM 647 C ARG A 43 -4.175 -13.809 -4.782 1.00 0.00 C ATOM 648 O ARG A 43 -3.019 -13.707 -5.203 1.00 0.00 O ATOM 649 CB ARG A 43 -5.222 -12.288 -3.104 1.00 0.00 C ATOM 650 CG ARG A 43 -5.815 -12.130 -1.718 1.00 0.00 C ATOM 651 CD ARG A 43 -6.882 -11.048 -1.690 1.00 0.00 C ATOM 652 NE ARG A 43 -7.448 -10.882 -0.352 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.501 -11.562 0.106 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.088 -12.481 -0.652 1.00 0.00 N ATOM 655 NH2 ARG A 43 -8.960 -11.326 1.326 1.00 0.00 N ATOM 0 H ARG A 43 -2.713 -12.837 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.141 -14.425 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.529 -11.468 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.019 -12.205 -3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.247 -13.077 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.025 -11.882 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.452 -10.104 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.676 -11.302 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.010 -10.203 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.734 -12.670 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.892 -12.997 -0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.509 -10.625 1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.765 -11.845 1.677 1.00 0.00 H new ATOM 669 N LYS A 44 -5.214 -14.083 -5.554 1.00 0.00 N ATOM 670 CA LYS A 44 -5.083 -14.329 -6.971 1.00 0.00 C ATOM 671 C LYS A 44 -5.141 -13.016 -7.741 1.00 0.00 C ATOM 672 O LYS A 44 -5.870 -12.093 -7.370 1.00 0.00 O ATOM 673 CB LYS A 44 -6.206 -15.273 -7.421 1.00 0.00 C ATOM 674 CG LYS A 44 -6.109 -15.746 -8.865 1.00 0.00 C ATOM 675 CD LYS A 44 -6.734 -14.762 -9.848 1.00 0.00 C ATOM 676 CE LYS A 44 -8.251 -14.744 -9.747 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.845 -16.037 -10.175 1.00 0.00 N ATOM 0 H LYS A 44 -6.172 -14.140 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.120 -14.796 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.210 -16.146 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.162 -14.768 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.061 -15.897 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.603 -16.713 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.346 -13.762 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.441 -15.028 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.545 -14.531 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.648 -13.939 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.759 -15.862 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.203 -16.510 -10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.989 -16.645 -9.344 1.00 0.00 H new ATOM 691 N GLY A 45 -4.374 -12.951 -8.812 1.00 0.00 N ATOM 692 CA GLY A 45 -4.395 -11.812 -9.691 1.00 0.00 C ATOM 693 C GLY A 45 -4.319 -12.254 -11.133 1.00 0.00 C ATOM 694 O GLY A 45 -4.063 -13.426 -11.414 1.00 0.00 O ATOM 0 H GLY A 45 -3.724 -13.686 -9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.307 -11.237 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.557 -11.153 -9.462 1.00 0.00 H new ATOM 698 N VAL A 46 -4.535 -11.331 -12.038 1.00 0.00 N ATOM 699 CA VAL A 46 -4.483 -11.622 -13.460 1.00 0.00 C ATOM 700 C VAL A 46 -3.486 -10.690 -14.142 1.00 0.00 C ATOM 701 O VAL A 46 -3.354 -9.520 -13.763 1.00 0.00 O ATOM 702 CB VAL A 46 -5.885 -11.488 -14.109 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.441 -10.087 -13.933 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.852 -11.878 -15.576 1.00 0.00 C ATOM 0 H VAL A 46 -4.751 -10.359 -11.817 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.154 -12.653 -13.590 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.552 -12.179 -13.594 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.425 -10.025 -14.399 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.528 -9.861 -12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.771 -9.368 -14.404 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.850 -11.774 -16.003 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.159 -11.228 -16.110 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.524 -12.913 -15.670 1.00 0.00 H new ATOM 714 N VAL A 47 -2.779 -11.210 -15.133 1.00 0.00 N ATOM 715 CA VAL A 47 -1.755 -10.445 -15.824 1.00 0.00 C ATOM 716 C VAL A 47 -2.372 -9.538 -16.887 1.00 0.00 C ATOM 717 O VAL A 47 -3.017 -10.009 -17.824 1.00 0.00 O ATOM 718 CB VAL A 47 -0.710 -11.368 -16.482 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.415 -10.556 -17.103 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.157 -12.364 -15.474 1.00 0.00 C ATOM 0 H VAL A 47 -2.897 -12.163 -15.477 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.256 -9.830 -15.075 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.207 -11.926 -17.276 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.140 -11.229 -17.561 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.007 -9.891 -17.864 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.907 -9.965 -16.330 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.578 -13.004 -15.961 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.317 -11.826 -14.653 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.970 -12.976 -15.084 1.00 0.00 H new ATOM 730 N MET A 48 -2.187 -8.233 -16.715 1.00 0.00 N ATOM 731 CA MET A 48 -2.684 -7.247 -17.662 1.00 0.00 C ATOM 732 C MET A 48 -1.561 -6.718 -18.542 1.00 0.00 C ATOM 733 O MET A 48 -1.806 -6.217 -19.639 1.00 0.00 O ATOM 734 CB MET A 48 -3.333 -6.092 -16.906 1.00 0.00 C ATOM 735 CG MET A 48 -4.584 -6.495 -16.159 1.00 0.00 C ATOM 736 SD MET A 48 -5.932 -6.940 -17.267 1.00 0.00 S ATOM 737 CE MET A 48 -7.250 -7.247 -16.090 1.00 0.00 C ATOM 0 H MET A 48 -1.691 -7.833 -15.919 1.00 0.00 H new ATOM 0 HA MET A 48 -3.422 -7.729 -18.303 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.613 -5.679 -16.199 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.579 -5.298 -17.611 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.359 -7.340 -15.508 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.901 -5.673 -15.517 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.826 -8.116 -16.408 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.822 -7.435 -15.105 1.00 0.00 H new ATOM 0 HE3 MET A 48 -7.904 -6.376 -16.041 1.00 0.00 H new ATOM 747 N GLU A 49 -0.333 -6.822 -18.057 1.00 0.00 N ATOM 748 CA GLU A 49 0.827 -6.374 -18.812 1.00 0.00 C ATOM 749 C GLU A 49 1.946 -7.401 -18.696 1.00 0.00 C ATOM 750 O GLU A 49 2.107 -8.022 -17.646 1.00 0.00 O ATOM 751 CB GLU A 49 1.301 -5.003 -18.309 1.00 0.00 C ATOM 752 CG GLU A 49 2.438 -4.405 -19.119 1.00 0.00 C ATOM 753 CD GLU A 49 2.083 -4.274 -20.584 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.457 -3.258 -20.961 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.418 -5.191 -21.360 1.00 0.00 O ATOM 0 H GLU A 49 -0.114 -7.214 -17.141 1.00 0.00 H new ATOM 0 HA GLU A 49 0.547 -6.273 -19.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.458 -4.312 -18.321 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.620 -5.099 -17.271 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.691 -3.424 -18.718 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.325 -5.030 -19.015 1.00 0.00 H new ATOM 763 N ALA A 50 2.711 -7.561 -19.772 1.00 0.00 N ATOM 764 CA ALA A 50 3.750 -8.586 -19.854 1.00 0.00 C ATOM 765 C ALA A 50 4.742 -8.491 -18.696 1.00 0.00 C ATOM 766 O ALA A 50 5.330 -7.436 -18.450 1.00 0.00 O ATOM 767 CB ALA A 50 4.481 -8.480 -21.181 1.00 0.00 C ATOM 0 H ALA A 50 2.630 -6.986 -20.610 1.00 0.00 H new ATOM 0 HA ALA A 50 3.260 -9.557 -19.784 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.253 -9.247 -21.233 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.774 -8.621 -21.998 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.941 -7.496 -21.265 1.00 0.00 H new ATOM 773 N ILE A 51 4.916 -9.600 -17.994 1.00 0.00 N ATOM 774 CA ILE A 51 5.824 -9.664 -16.861 1.00 0.00 C ATOM 775 C ILE A 51 7.087 -10.426 -17.241 1.00 0.00 C ATOM 776 O ILE A 51 7.012 -11.524 -17.787 1.00 0.00 O ATOM 777 CB ILE A 51 5.160 -10.367 -15.655 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.888 -9.622 -15.230 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.136 -10.464 -14.489 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.145 -10.295 -14.098 1.00 0.00 C ATOM 0 H ILE A 51 4.434 -10.477 -18.193 1.00 0.00 H new ATOM 0 HA ILE A 51 6.077 -8.641 -16.582 1.00 0.00 H new ATOM 0 HB ILE A 51 4.882 -11.377 -15.957 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.153 -8.609 -14.928 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.223 -9.535 -16.089 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.651 -10.962 -13.649 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.012 -11.037 -14.794 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.444 -9.463 -14.188 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.257 -9.714 -13.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.849 -11.299 -14.403 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.793 -10.358 -13.224 1.00 0.00 H new ATOM 792 N SER A 52 8.243 -9.849 -16.959 1.00 0.00 N ATOM 793 CA SER A 52 9.496 -10.527 -17.230 1.00 0.00 C ATOM 794 C SER A 52 10.446 -10.399 -16.051 1.00 0.00 C ATOM 795 O SER A 52 10.249 -9.560 -15.172 1.00 0.00 O ATOM 796 CB SER A 52 10.151 -9.964 -18.493 1.00 0.00 C ATOM 797 OG SER A 52 10.249 -8.550 -18.437 1.00 0.00 O ATOM 0 H SER A 52 8.339 -8.921 -16.546 1.00 0.00 H new ATOM 0 HA SER A 52 9.279 -11.583 -17.388 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.145 -10.395 -18.613 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.570 -10.256 -19.368 1.00 0.00 H new ATOM 0 HG SER A 52 9.794 -8.222 -17.633 1.00 0.00 H new ATOM 803 N PRO A 53 11.479 -11.250 -16.011 1.00 0.00 N ATOM 804 CA PRO A 53 12.556 -11.138 -15.026 1.00 0.00 C ATOM 805 C PRO A 53 13.328 -9.830 -15.193 1.00 0.00 C ATOM 806 O PRO A 53 13.974 -9.348 -14.260 1.00 0.00 O ATOM 807 CB PRO A 53 13.467 -12.335 -15.334 1.00 0.00 C ATOM 808 CG PRO A 53 12.646 -13.261 -16.168 1.00 0.00 C ATOM 809 CD PRO A 53 11.655 -12.407 -16.902 1.00 0.00 C ATOM 0 HA PRO A 53 12.179 -11.138 -14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.363 -12.018 -15.867 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.797 -12.822 -14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.274 -13.814 -16.866 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.138 -13.997 -15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.029 -12.107 -17.881 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.715 -12.934 -17.068 1.00 0.00 H new ATOM 817 N GLN A 54 13.244 -9.264 -16.393 1.00 0.00 N ATOM 818 CA GLN A 54 13.925 -8.019 -16.715 1.00 0.00 C ATOM 819 C GLN A 54 13.106 -6.820 -16.251 1.00 0.00 C ATOM 820 O GLN A 54 13.564 -6.021 -15.435 1.00 0.00 O ATOM 821 CB GLN A 54 14.165 -7.928 -18.223 1.00 0.00 C ATOM 822 CG GLN A 54 14.998 -9.069 -18.786 1.00 0.00 C ATOM 823 CD GLN A 54 15.242 -8.923 -20.277 1.00 0.00 C ATOM 824 OE1 GLN A 54 16.223 -8.312 -20.699 1.00 0.00 O ATOM 825 NE2 GLN A 54 14.355 -9.484 -21.088 1.00 0.00 N ATOM 0 H GLN A 54 12.704 -9.655 -17.165 1.00 0.00 H new ATOM 0 HA GLN A 54 14.883 -8.008 -16.195 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.202 -7.908 -18.733 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.663 -6.984 -18.445 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.955 -9.108 -18.266 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.492 -10.015 -18.594 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.554 -9.983 -20.701 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.474 -9.417 -22.099 1.00 0.00 H new ATOM 834 N ASN A 55 11.890 -6.706 -16.767 1.00 0.00 N ATOM 835 CA ASN A 55 11.013 -5.601 -16.414 1.00 0.00 C ATOM 836 C ASN A 55 9.699 -6.134 -15.866 1.00 0.00 C ATOM 837 O ASN A 55 9.096 -7.043 -16.445 1.00 0.00 O ATOM 838 CB ASN A 55 10.752 -4.704 -17.629 1.00 0.00 C ATOM 839 CG ASN A 55 9.840 -3.532 -17.304 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.838 -3.020 -16.184 1.00 0.00 O ATOM 841 ND2 ASN A 55 9.062 -3.094 -18.284 1.00 0.00 N ATOM 0 H ASN A 55 11.489 -7.367 -17.432 1.00 0.00 H new ATOM 0 HA ASN A 55 11.504 -5.003 -15.646 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.702 -4.327 -18.008 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.304 -5.298 -18.425 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.434 -2.307 -18.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.092 -3.544 -19.199 1.00 0.00 H new ATOM 848 N SER A 56 9.273 -5.581 -14.742 1.00 0.00 N ATOM 849 CA SER A 56 8.021 -5.972 -14.120 1.00 0.00 C ATOM 850 C SER A 56 6.836 -5.672 -15.036 1.00 0.00 C ATOM 851 O SER A 56 6.909 -4.800 -15.907 1.00 0.00 O ATOM 852 CB SER A 56 7.845 -5.230 -12.798 1.00 0.00 C ATOM 853 OG SER A 56 9.029 -5.286 -12.019 1.00 0.00 O ATOM 0 H SER A 56 9.782 -4.854 -14.239 1.00 0.00 H new ATOM 0 HA SER A 56 8.053 -7.046 -13.937 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.583 -4.190 -12.993 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.018 -5.667 -12.239 1.00 0.00 H new ATOM 0 HG SER A 56 9.064 -6.139 -11.537 1.00 0.00 H new ATOM 859 N GLY A 57 5.753 -6.396 -14.827 1.00 0.00 N ATOM 860 CA GLY A 57 4.548 -6.175 -15.594 1.00 0.00 C ATOM 861 C GLY A 57 3.442 -5.626 -14.727 1.00 0.00 C ATOM 862 O GLY A 57 3.711 -5.061 -13.664 1.00 0.00 O ATOM 0 H GLY A 57 5.686 -7.140 -14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.754 -5.480 -16.408 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.226 -7.112 -16.049 1.00 0.00 H new ATOM 866 N LEU A 58 2.205 -5.809 -15.156 1.00 0.00 N ATOM 867 CA LEU A 58 1.060 -5.312 -14.407 1.00 0.00 C ATOM 868 C LEU A 58 0.075 -6.432 -14.120 1.00 0.00 C ATOM 869 O LEU A 58 -0.332 -7.165 -15.023 1.00 0.00 O ATOM 870 CB LEU A 58 0.343 -4.196 -15.173 1.00 0.00 C ATOM 871 CG LEU A 58 1.116 -2.889 -15.320 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.303 -1.883 -16.120 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.473 -2.324 -13.955 1.00 0.00 C ATOM 0 H LEU A 58 1.966 -6.298 -16.019 1.00 0.00 H new ATOM 0 HA LEU A 58 1.436 -4.913 -13.465 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.097 -4.565 -16.169 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.600 -3.984 -14.670 1.00 0.00 H new ATOM 0 HG LEU A 58 2.042 -3.092 -15.858 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.866 -0.955 -16.217 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.097 -2.288 -17.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.637 -1.684 -15.606 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.024 -1.392 -14.080 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.560 -2.133 -13.390 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.091 -3.041 -13.415 1.00 0.00 H new ATOM 885 N VAL A 59 -0.302 -6.559 -12.861 1.00 0.00 N ATOM 886 CA VAL A 59 -1.308 -7.521 -12.455 1.00 0.00 C ATOM 887 C VAL A 59 -2.479 -6.807 -11.801 1.00 0.00 C ATOM 888 O VAL A 59 -2.301 -5.789 -11.128 1.00 0.00 O ATOM 889 CB VAL A 59 -0.749 -8.584 -11.482 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.262 -9.474 -12.190 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.124 -7.927 -10.254 1.00 0.00 C ATOM 0 H VAL A 59 0.078 -6.002 -12.096 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.637 -8.037 -13.357 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.578 -9.205 -11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.646 -10.217 -11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.221 -9.979 -13.027 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.086 -8.865 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.261 -8.697 -9.586 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.692 -7.275 -10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.879 -7.339 -9.732 1.00 0.00 H new ATOM 901 N LYS A 60 -3.676 -7.324 -12.021 1.00 0.00 N ATOM 902 CA LYS A 60 -4.863 -6.761 -11.406 1.00 0.00 C ATOM 903 C LYS A 60 -5.161 -7.485 -10.101 1.00 0.00 C ATOM 904 O LYS A 60 -5.599 -8.639 -10.104 1.00 0.00 O ATOM 905 CB LYS A 60 -6.065 -6.870 -12.345 1.00 0.00 C ATOM 906 CG LYS A 60 -7.326 -6.218 -11.801 1.00 0.00 C ATOM 907 CD LYS A 60 -8.523 -6.506 -12.693 1.00 0.00 C ATOM 908 CE LYS A 60 -9.778 -5.817 -12.181 1.00 0.00 C ATOM 909 NZ LYS A 60 -10.988 -6.218 -12.947 1.00 0.00 N ATOM 0 H LYS A 60 -3.850 -8.131 -12.620 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.679 -5.706 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.812 -6.410 -13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.267 -7.923 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.523 -6.585 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.177 -5.141 -11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.311 -6.170 -13.708 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.691 -7.582 -12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.920 -6.059 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.650 -4.736 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.820 -5.725 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.865 -5.964 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.126 -7.245 -12.865 1.00 0.00 H new ATOM 923 N VAL A 61 -4.907 -6.811 -8.990 1.00 0.00 N ATOM 924 CA VAL A 61 -5.160 -7.381 -7.679 1.00 0.00 C ATOM 925 C VAL A 61 -6.495 -6.873 -7.151 1.00 0.00 C ATOM 926 O VAL A 61 -6.608 -5.714 -6.739 1.00 0.00 O ATOM 927 CB VAL A 61 -4.042 -7.040 -6.671 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.259 -7.786 -5.361 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.672 -7.365 -7.253 1.00 0.00 C ATOM 0 H VAL A 61 -4.525 -5.866 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.185 -8.465 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.080 -5.970 -6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.461 -7.534 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.220 -7.499 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.251 -8.860 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.899 -7.117 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.620 -8.428 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.515 -6.783 -8.161 1.00 0.00 H new ATOM 939 N ASP A 62 -7.505 -7.742 -7.209 1.00 0.00 N ATOM 940 CA ASP A 62 -8.872 -7.416 -6.787 1.00 0.00 C ATOM 941 C ASP A 62 -9.511 -6.395 -7.726 1.00 0.00 C ATOM 942 O ASP A 62 -10.377 -6.738 -8.530 1.00 0.00 O ATOM 943 CB ASP A 62 -8.920 -6.909 -5.337 1.00 0.00 C ATOM 944 CG ASP A 62 -10.339 -6.640 -4.860 1.00 0.00 C ATOM 945 OD1 ASP A 62 -10.815 -5.495 -5.003 1.00 0.00 O ATOM 946 OD2 ASP A 62 -10.987 -7.573 -4.335 1.00 0.00 O ATOM 0 H ASP A 62 -7.399 -8.697 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.446 -8.341 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.454 -7.645 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.333 -5.994 -5.256 1.00 0.00 H new ATOM 952 N GLY A 63 -9.073 -5.149 -7.630 1.00 0.00 N ATOM 953 CA GLY A 63 -9.639 -4.096 -8.450 1.00 0.00 C ATOM 954 C GLY A 63 -8.634 -3.026 -8.839 1.00 0.00 C ATOM 955 O GLY A 63 -8.982 -2.075 -9.538 1.00 0.00 O ATOM 0 H GLY A 63 -8.333 -4.846 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.058 -4.536 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.464 -3.630 -7.911 1.00 0.00 H new ATOM 959 N GLU A 64 -7.392 -3.163 -8.390 1.00 0.00 N ATOM 960 CA GLU A 64 -6.358 -2.198 -8.728 1.00 0.00 C ATOM 961 C GLU A 64 -5.209 -2.875 -9.469 1.00 0.00 C ATOM 962 O GLU A 64 -4.981 -4.075 -9.313 1.00 0.00 O ATOM 963 CB GLU A 64 -5.848 -1.492 -7.473 1.00 0.00 C ATOM 964 CG GLU A 64 -6.881 -0.576 -6.831 1.00 0.00 C ATOM 965 CD GLU A 64 -6.302 0.272 -5.719 1.00 0.00 C ATOM 966 OE1 GLU A 64 -6.285 -0.187 -4.564 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.876 1.419 -5.996 1.00 0.00 O ATOM 0 H GLU A 64 -7.079 -3.930 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.795 -1.449 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.536 -2.241 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.964 -0.908 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.307 0.075 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.698 -1.179 -6.434 1.00 0.00 H new ATOM 975 N THR A 65 -4.498 -2.104 -10.279 1.00 0.00 N ATOM 976 CA THR A 65 -3.402 -2.635 -11.076 1.00 0.00 C ATOM 977 C THR A 65 -2.053 -2.282 -10.444 1.00 0.00 C ATOM 978 O THR A 65 -1.768 -1.114 -10.167 1.00 0.00 O ATOM 979 CB THR A 65 -3.460 -2.083 -12.513 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.806 -2.175 -13.014 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.519 -2.850 -13.432 1.00 0.00 C ATOM 0 H THR A 65 -4.662 -1.105 -10.402 1.00 0.00 H new ATOM 0 HA THR A 65 -3.505 -3.720 -11.107 1.00 0.00 H new ATOM 0 HB THR A 65 -3.145 -1.040 -12.492 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.840 -1.822 -13.927 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.580 -2.440 -14.440 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.497 -2.759 -13.064 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.805 -3.902 -13.451 1.00 0.00 H new ATOM 989 N TRP A 66 -1.233 -3.297 -10.208 1.00 0.00 N ATOM 990 CA TRP A 66 0.071 -3.109 -9.575 1.00 0.00 C ATOM 991 C TRP A 66 1.176 -3.739 -10.416 1.00 0.00 C ATOM 992 O TRP A 66 0.917 -4.641 -11.217 1.00 0.00 O ATOM 993 CB TRP A 66 0.082 -3.734 -8.177 1.00 0.00 C ATOM 994 CG TRP A 66 -0.822 -3.050 -7.190 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.175 -3.205 -7.063 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.430 -2.112 -6.179 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.647 -2.413 -6.044 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.595 -1.735 -5.483 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.792 -1.556 -5.798 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.574 -0.828 -4.428 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.814 -0.654 -4.749 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.363 -0.297 -4.074 1.00 0.00 C ATOM 0 H TRP A 66 -1.447 -4.265 -10.446 1.00 0.00 H new ATOM 0 HA TRP A 66 0.252 -2.037 -9.494 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.211 -4.781 -8.257 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.101 -3.717 -7.792 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.784 -3.855 -7.674 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.622 -2.341 -5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.703 -1.825 -6.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.480 -0.553 -3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.754 -0.217 -4.444 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.313 0.410 -3.259 1.00 0.00 H new ATOM 1013 N ARG A 67 2.403 -3.258 -10.238 1.00 0.00 N ATOM 1014 CA ARG A 67 3.559 -3.860 -10.891 1.00 0.00 C ATOM 1015 C ARG A 67 3.886 -5.195 -10.244 1.00 0.00 C ATOM 1016 O ARG A 67 3.758 -5.350 -9.032 1.00 0.00 O ATOM 1017 CB ARG A 67 4.788 -2.955 -10.805 1.00 0.00 C ATOM 1018 CG ARG A 67 4.860 -1.877 -11.873 1.00 0.00 C ATOM 1019 CD ARG A 67 3.773 -0.833 -11.707 1.00 0.00 C ATOM 1020 NE ARG A 67 4.035 0.348 -12.527 1.00 0.00 N ATOM 1021 CZ ARG A 67 4.233 1.569 -12.027 1.00 0.00 C ATOM 1022 NH1 ARG A 67 4.166 1.774 -10.717 1.00 0.00 N ATOM 1023 NH2 ARG A 67 4.507 2.588 -12.834 1.00 0.00 N ATOM 0 H ARG A 67 2.621 -2.455 -9.648 1.00 0.00 H new ATOM 0 HA ARG A 67 3.304 -4.002 -11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.803 -2.478 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.683 -3.574 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.836 -1.393 -11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.773 -2.337 -12.857 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.810 -1.262 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.704 -0.542 -10.659 1.00 0.00 H new ATOM 0 HE ARG A 67 4.068 0.232 -13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.963 0.997 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.318 2.709 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.567 2.439 -13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.657 3.519 -12.446 1.00 0.00 H new ATOM 1037 N ALA A 68 4.307 -6.151 -11.048 1.00 0.00 N ATOM 1038 CA ALA A 68 4.660 -7.465 -10.538 1.00 0.00 C ATOM 1039 C ALA A 68 5.829 -8.057 -11.309 1.00 0.00 C ATOM 1040 O ALA A 68 5.939 -7.874 -12.521 1.00 0.00 O ATOM 1041 CB ALA A 68 3.464 -8.398 -10.610 1.00 0.00 C ATOM 0 H ALA A 68 4.414 -6.045 -12.057 1.00 0.00 H new ATOM 0 HA ALA A 68 4.961 -7.351 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.744 -9.378 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.649 -7.992 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.140 -8.494 -11.646 1.00 0.00 H new ATOM 1047 N THR A 69 6.701 -8.753 -10.598 1.00 0.00 N ATOM 1048 CA THR A 69 7.813 -9.451 -11.214 1.00 0.00 C ATOM 1049 C THR A 69 7.705 -10.943 -10.897 1.00 0.00 C ATOM 1050 O THR A 69 6.965 -11.335 -9.988 1.00 0.00 O ATOM 1051 CB THR A 69 9.167 -8.922 -10.693 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.092 -7.510 -10.441 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.280 -9.188 -11.697 1.00 0.00 C ATOM 0 H THR A 69 6.657 -8.849 -9.583 1.00 0.00 H new ATOM 0 HA THR A 69 7.769 -9.282 -12.290 1.00 0.00 H new ATOM 0 HB THR A 69 9.391 -9.448 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.957 -7.190 -10.110 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.222 -8.805 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.367 -10.261 -11.868 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.049 -8.688 -12.638 1.00 0.00 H new ATOM 1061 N SER A 70 8.435 -11.764 -11.635 1.00 0.00 N ATOM 1062 CA SER A 70 8.413 -13.201 -11.429 1.00 0.00 C ATOM 1063 C SER A 70 9.637 -13.833 -12.088 1.00 0.00 C ATOM 1064 O SER A 70 10.456 -13.137 -12.694 1.00 0.00 O ATOM 1065 CB SER A 70 7.122 -13.803 -12.002 1.00 0.00 C ATOM 1066 OG SER A 70 6.927 -15.134 -11.548 1.00 0.00 O ATOM 0 H SER A 70 9.053 -11.456 -12.386 1.00 0.00 H new ATOM 0 HA SER A 70 8.440 -13.409 -10.359 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.271 -13.188 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.165 -13.791 -13.091 1.00 0.00 H new ATOM 0 HG SER A 70 6.482 -15.120 -10.675 1.00 0.00 H new ATOM 1072 N GLY A 71 9.760 -15.145 -11.960 1.00 0.00 N ATOM 1073 CA GLY A 71 10.871 -15.849 -12.561 1.00 0.00 C ATOM 1074 C GLY A 71 10.561 -16.314 -13.967 1.00 0.00 C ATOM 1075 O GLY A 71 11.438 -16.808 -14.670 1.00 0.00 O ATOM 0 H GLY A 71 9.106 -15.737 -11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.744 -15.197 -12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.130 -16.710 -11.944 1.00 0.00 H new ATOM 1079 N THR A 72 9.305 -16.166 -14.371 1.00 0.00 N ATOM 1080 CA THR A 72 8.871 -16.557 -15.699 1.00 0.00 C ATOM 1081 C THR A 72 8.327 -15.356 -16.464 1.00 0.00 C ATOM 1082 O THR A 72 8.045 -14.308 -15.874 1.00 0.00 O ATOM 1083 CB THR A 72 7.794 -17.656 -15.624 1.00 0.00 C ATOM 1084 OG1 THR A 72 6.947 -17.437 -14.489 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.427 -19.035 -15.536 1.00 0.00 C ATOM 0 H THR A 72 8.565 -15.774 -13.788 1.00 0.00 H new ATOM 0 HA THR A 72 9.738 -16.951 -16.229 1.00 0.00 H new ATOM 0 HB THR A 72 7.198 -17.609 -16.535 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.264 -18.139 -14.450 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.644 -19.792 -15.484 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.043 -19.210 -16.418 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.048 -19.094 -14.642 1.00 0.00 H new ATOM 1093 N VAL A 73 8.190 -15.500 -17.773 1.00 0.00 N ATOM 1094 CA VAL A 73 7.646 -14.433 -18.595 1.00 0.00 C ATOM 1095 C VAL A 73 6.140 -14.619 -18.745 1.00 0.00 C ATOM 1096 O VAL A 73 5.672 -15.373 -19.601 1.00 0.00 O ATOM 1097 CB VAL A 73 8.310 -14.380 -19.988 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.864 -13.140 -20.750 1.00 0.00 C ATOM 1099 CG2 VAL A 73 9.827 -14.417 -19.863 1.00 0.00 C ATOM 0 H VAL A 73 8.447 -16.343 -18.287 1.00 0.00 H new ATOM 0 HA VAL A 73 7.857 -13.488 -18.095 1.00 0.00 H new ATOM 0 HB VAL A 73 7.992 -15.258 -20.550 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.344 -13.122 -21.729 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.782 -13.160 -20.877 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.147 -12.248 -20.191 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.275 -14.379 -20.856 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.165 -13.561 -19.279 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.129 -15.338 -19.364 1.00 0.00 H new ATOM 1109 N LEU A 74 5.390 -13.938 -17.892 1.00 0.00 N ATOM 1110 CA LEU A 74 3.948 -14.102 -17.827 1.00 0.00 C ATOM 1111 C LEU A 74 3.252 -13.193 -18.831 1.00 0.00 C ATOM 1112 O LEU A 74 3.528 -11.992 -18.899 1.00 0.00 O ATOM 1113 CB LEU A 74 3.455 -13.806 -16.409 1.00 0.00 C ATOM 1114 CG LEU A 74 4.100 -14.659 -15.315 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.644 -14.195 -13.943 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.762 -16.126 -15.520 1.00 0.00 C ATOM 0 H LEU A 74 5.763 -13.259 -17.228 1.00 0.00 H new ATOM 0 HA LEU A 74 3.704 -15.134 -18.081 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.640 -12.755 -16.187 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.376 -13.954 -16.376 1.00 0.00 H new ATOM 0 HG LEU A 74 5.182 -14.542 -15.376 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.112 -14.812 -13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.932 -13.154 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.560 -14.285 -13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.228 -16.720 -14.734 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.681 -16.259 -15.483 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.134 -16.453 -16.491 1.00 0.00 H new ATOM 1128 N ASP A 75 2.357 -13.778 -19.614 1.00 0.00 N ATOM 1129 CA ASP A 75 1.625 -13.038 -20.632 1.00 0.00 C ATOM 1130 C ASP A 75 0.271 -12.597 -20.118 1.00 0.00 C ATOM 1131 O ASP A 75 -0.222 -13.099 -19.102 1.00 0.00 O ATOM 1132 CB ASP A 75 1.424 -13.885 -21.890 1.00 0.00 C ATOM 1133 CG ASP A 75 2.692 -14.072 -22.690 1.00 0.00 C ATOM 1134 OD1 ASP A 75 3.095 -13.126 -23.403 1.00 0.00 O ATOM 1135 OD2 ASP A 75 3.280 -15.175 -22.633 1.00 0.00 O ATOM 0 H ASP A 75 2.119 -14.769 -19.563 1.00 0.00 H new ATOM 0 HA ASP A 75 2.221 -12.159 -20.879 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.035 -14.862 -21.604 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.670 -13.414 -22.521 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.328 -11.664 -20.842 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.640 -11.139 -20.506 1.00 0.00 C ATOM 1143 C VAL A 76 -2.690 -12.240 -20.565 1.00 0.00 C ATOM 1144 O VAL A 76 -2.756 -13.001 -21.533 1.00 0.00 O ATOM 1145 CB VAL A 76 -2.045 -9.992 -21.458 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.391 -9.406 -21.063 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.974 -8.913 -21.484 1.00 0.00 C ATOM 0 H VAL A 76 0.083 -11.250 -21.679 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.584 -10.747 -19.490 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.140 -10.404 -22.463 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.653 -8.600 -21.749 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.154 -10.183 -21.108 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.333 -9.013 -20.048 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.279 -8.114 -22.160 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.841 -8.508 -20.481 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.033 -9.342 -21.829 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.491 -12.338 -19.515 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.544 -13.329 -19.478 1.00 0.00 C ATOM 1159 C GLY A 77 -4.246 -14.470 -18.528 1.00 0.00 C ATOM 1160 O GLY A 77 -5.112 -15.300 -18.261 1.00 0.00 O ATOM 0 H GLY A 77 -3.430 -11.747 -18.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.477 -12.850 -19.181 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.696 -13.728 -20.481 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.017 -14.539 -18.034 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.649 -15.560 -17.077 1.00 0.00 C ATOM 1166 C GLU A 78 -3.143 -15.236 -15.677 1.00 0.00 C ATOM 1167 O GLU A 78 -3.490 -14.095 -15.364 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.143 -15.723 -17.055 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.621 -16.599 -18.166 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.220 -17.992 -18.139 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -1.875 -18.375 -19.132 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.048 -18.704 -17.127 1.00 0.00 O ATOM 0 H GLU A 78 -2.263 -13.899 -18.283 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.124 -16.489 -17.391 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.677 -14.740 -17.127 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.844 -16.147 -16.096 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.840 -16.132 -19.126 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.464 -16.672 -18.087 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.128 -16.259 -14.843 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.530 -16.149 -13.450 1.00 0.00 C ATOM 1182 C GLU A 79 -2.289 -16.221 -12.577 1.00 0.00 C ATOM 1183 O GLU A 79 -1.410 -17.054 -12.812 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.478 -17.292 -13.078 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.781 -17.307 -13.859 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.823 -16.363 -13.291 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.521 -16.756 -12.330 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -6.967 -15.237 -13.810 1.00 0.00 O ATOM 0 H GLU A 79 -2.834 -17.198 -15.114 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.047 -15.201 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.964 -18.240 -13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.707 -17.226 -12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.580 -17.036 -14.896 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.182 -18.320 -13.866 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.192 -15.345 -11.590 1.00 0.00 N ATOM 1197 CA VAL A 80 -1.044 -15.359 -10.691 1.00 0.00 C ATOM 1198 C VAL A 80 -1.480 -15.297 -9.239 1.00 0.00 C ATOM 1199 O VAL A 80 -2.621 -14.963 -8.935 1.00 0.00 O ATOM 1200 CB VAL A 80 -0.068 -14.190 -10.978 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.452 -14.263 -12.404 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.734 -12.847 -10.707 1.00 0.00 C ATOM 0 H VAL A 80 -2.884 -14.623 -11.390 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.524 -16.300 -10.872 1.00 0.00 H new ATOM 0 HB VAL A 80 0.783 -14.283 -10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.135 -13.433 -12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.979 -15.206 -12.551 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.385 -14.202 -13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.029 -12.042 -10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.609 -12.739 -11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.042 -12.798 -9.663 1.00 0.00 H new ATOM 1212 N SER A 81 -0.566 -15.644 -8.353 1.00 0.00 N ATOM 1213 CA SER A 81 -0.795 -15.516 -6.921 1.00 0.00 C ATOM 1214 C SER A 81 0.316 -14.665 -6.319 1.00 0.00 C ATOM 1215 O SER A 81 1.495 -14.867 -6.627 1.00 0.00 O ATOM 1216 CB SER A 81 -0.843 -16.899 -6.255 1.00 0.00 C ATOM 1217 OG SER A 81 -1.226 -16.804 -4.892 1.00 0.00 O ATOM 0 H SER A 81 0.350 -16.020 -8.599 1.00 0.00 H new ATOM 0 HA SER A 81 -1.756 -15.033 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.547 -17.537 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.136 -17.374 -6.327 1.00 0.00 H new ATOM 0 HG SER A 81 -1.249 -17.700 -4.496 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.062 -13.703 -5.489 1.00 0.00 N ATOM 1224 CA VAL A 82 0.896 -12.771 -4.903 1.00 0.00 C ATOM 1225 C VAL A 82 1.617 -13.394 -3.713 1.00 0.00 C ATOM 1226 O VAL A 82 1.001 -13.703 -2.693 1.00 0.00 O ATOM 1227 CB VAL A 82 0.209 -11.463 -4.452 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.229 -10.458 -3.927 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.599 -10.857 -5.590 1.00 0.00 C ATOM 0 H VAL A 82 -1.029 -13.546 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 82 1.624 -12.539 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.473 -11.709 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.716 -9.547 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.756 -10.886 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.945 -10.221 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.074 -9.937 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.062 -10.636 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.365 -11.564 -5.909 1.00 0.00 H new ATOM 1239 N LYS A 83 2.923 -13.570 -3.851 1.00 0.00 N ATOM 1240 CA LYS A 83 3.738 -14.104 -2.785 1.00 0.00 C ATOM 1241 C LYS A 83 4.011 -13.036 -1.738 1.00 0.00 C ATOM 1242 O LYS A 83 3.737 -13.224 -0.553 1.00 0.00 O ATOM 1243 CB LYS A 83 5.062 -14.609 -3.349 1.00 0.00 C ATOM 1244 CG LYS A 83 4.948 -15.854 -4.188 1.00 0.00 C ATOM 1245 CD LYS A 83 4.439 -16.994 -3.354 1.00 0.00 C ATOM 1246 CE LYS A 83 4.397 -18.289 -4.143 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.771 -19.387 -3.365 1.00 0.00 N ATOM 0 H LYS A 83 3.439 -13.346 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 83 3.200 -14.929 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.511 -13.819 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.744 -14.805 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.274 -15.677 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.920 -16.108 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.079 -17.120 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.440 -16.759 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.840 -18.134 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.410 -18.575 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.448 -20.170 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.504 -19.037 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.922 -19.725 -3.862 1.00 0.00 H new ATOM 1261 N ALA A 84 4.536 -11.902 -2.194 1.00 0.00 N ATOM 1262 CA ALA A 84 4.952 -10.835 -1.296 1.00 0.00 C ATOM 1263 C ALA A 84 5.089 -9.514 -2.041 1.00 0.00 C ATOM 1264 O ALA A 84 4.952 -9.461 -3.265 1.00 0.00 O ATOM 1265 CB ALA A 84 6.269 -11.198 -0.620 1.00 0.00 C ATOM 0 H ALA A 84 4.683 -11.700 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 84 4.183 -10.715 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.569 -10.391 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.143 -12.117 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.038 -11.346 -1.378 1.00 0.00 H new ATOM 1271 N ILE A 85 5.362 -8.455 -1.297 1.00 0.00 N ATOM 1272 CA ILE A 85 5.517 -7.130 -1.875 1.00 0.00 C ATOM 1273 C ILE A 85 6.992 -6.740 -1.913 1.00 0.00 C ATOM 1274 O ILE A 85 7.731 -6.988 -0.960 1.00 0.00 O ATOM 1275 CB ILE A 85 4.732 -6.076 -1.058 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.254 -6.474 -0.945 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.865 -4.689 -1.684 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.425 -5.526 -0.106 1.00 0.00 C ATOM 0 H ILE A 85 5.482 -8.488 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 85 5.120 -7.159 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 85 5.159 -6.038 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.825 -6.528 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.189 -7.474 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.304 -3.967 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.916 -4.400 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.470 -4.709 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.393 -5.875 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.827 -5.490 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.457 -4.529 -0.545 1.00 0.00 H new ATOM 1290 N GLU A 86 7.413 -6.138 -3.012 1.00 0.00 N ATOM 1291 CA GLU A 86 8.786 -5.676 -3.156 1.00 0.00 C ATOM 1292 C GLU A 86 8.804 -4.173 -3.431 1.00 0.00 C ATOM 1293 O GLU A 86 8.926 -3.736 -4.578 1.00 0.00 O ATOM 1294 CB GLU A 86 9.494 -6.435 -4.283 1.00 0.00 C ATOM 1295 CG GLU A 86 10.956 -6.052 -4.460 1.00 0.00 C ATOM 1296 CD GLU A 86 11.820 -6.449 -3.279 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.603 -7.409 -3.413 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.727 -5.800 -2.214 1.00 0.00 O ATOM 0 H GLU A 86 6.821 -5.956 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 86 9.320 -5.871 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.430 -7.505 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.965 -6.253 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.343 -6.526 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.028 -4.975 -4.610 1.00 0.00 H new ATOM 1306 N GLY A 87 8.641 -3.387 -2.378 1.00 0.00 N ATOM 1307 CA GLY A 87 8.631 -1.948 -2.527 1.00 0.00 C ATOM 1308 C GLY A 87 7.430 -1.457 -3.302 1.00 0.00 C ATOM 1309 O GLY A 87 6.316 -1.418 -2.782 1.00 0.00 O ATOM 0 H GLY A 87 8.515 -3.721 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.638 -1.483 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.542 -1.632 -3.035 1.00 0.00 H new ATOM 1313 N VAL A 88 7.666 -1.092 -4.548 1.00 0.00 N ATOM 1314 CA VAL A 88 6.607 -0.623 -5.429 1.00 0.00 C ATOM 1315 C VAL A 88 6.185 -1.741 -6.390 1.00 0.00 C ATOM 1316 O VAL A 88 5.235 -1.602 -7.166 1.00 0.00 O ATOM 1317 CB VAL A 88 7.072 0.624 -6.221 1.00 0.00 C ATOM 1318 CG1 VAL A 88 8.154 0.266 -7.230 1.00 0.00 C ATOM 1319 CG2 VAL A 88 5.897 1.317 -6.898 1.00 0.00 C ATOM 0 H VAL A 88 8.591 -1.111 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 88 5.747 -0.342 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 88 7.504 1.325 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.459 1.162 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.014 -0.154 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.765 -0.468 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.255 2.189 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.416 0.626 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.177 1.634 -6.143 1.00 0.00 H new ATOM 1329 N LYS A 89 6.897 -2.860 -6.313 1.00 0.00 N ATOM 1330 CA LYS A 89 6.626 -4.016 -7.157 1.00 0.00 C ATOM 1331 C LYS A 89 6.021 -5.141 -6.321 1.00 0.00 C ATOM 1332 O LYS A 89 6.047 -5.095 -5.089 1.00 0.00 O ATOM 1333 CB LYS A 89 7.922 -4.512 -7.815 1.00 0.00 C ATOM 1334 CG LYS A 89 8.623 -3.481 -8.686 1.00 0.00 C ATOM 1335 CD LYS A 89 10.015 -3.960 -9.077 1.00 0.00 C ATOM 1336 CE LYS A 89 10.755 -2.953 -9.946 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.155 -2.832 -11.300 1.00 0.00 N ATOM 0 H LYS A 89 7.675 -2.990 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 89 5.921 -3.720 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.610 -4.837 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.694 -5.387 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.033 -3.294 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.696 -2.535 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.596 -4.153 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.933 -4.906 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.746 -1.978 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.799 -3.253 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.857 -2.436 -11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.860 -3.772 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.327 -2.204 -11.258 1.00 0.00 H new ATOM 1351 N LEU A 90 5.470 -6.141 -6.986 1.00 0.00 N ATOM 1352 CA LEU A 90 4.972 -7.328 -6.307 1.00 0.00 C ATOM 1353 C LEU A 90 5.711 -8.555 -6.811 1.00 0.00 C ATOM 1354 O LEU A 90 6.179 -8.583 -7.949 1.00 0.00 O ATOM 1355 CB LEU A 90 3.469 -7.516 -6.538 1.00 0.00 C ATOM 1356 CG LEU A 90 2.573 -6.371 -6.063 1.00 0.00 C ATOM 1357 CD1 LEU A 90 1.118 -6.684 -6.358 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.771 -6.114 -4.578 1.00 0.00 C ATOM 0 H LEU A 90 5.355 -6.156 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 90 5.143 -7.198 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.301 -7.665 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.155 -8.430 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 90 2.852 -5.468 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.492 -5.861 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.985 -6.818 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.830 -7.599 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.124 -5.296 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.520 -7.014 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.811 -5.848 -4.390 1.00 0.00 H new ATOM 1370 N VAL A 91 5.825 -9.555 -5.960 1.00 0.00 N ATOM 1371 CA VAL A 91 6.421 -10.824 -6.354 1.00 0.00 C ATOM 1372 C VAL A 91 5.327 -11.870 -6.484 1.00 0.00 C ATOM 1373 O VAL A 91 4.698 -12.246 -5.493 1.00 0.00 O ATOM 1374 CB VAL A 91 7.475 -11.311 -5.328 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.128 -12.608 -5.791 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.528 -10.239 -5.087 1.00 0.00 C ATOM 0 H VAL A 91 5.514 -9.517 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 91 6.927 -10.676 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 91 6.962 -11.507 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.864 -12.928 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.366 -13.379 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.622 -12.445 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.258 -10.602 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.032 -10.006 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.050 -9.340 -4.699 1.00 0.00 H new ATOM 1386 N VAL A 92 5.078 -12.323 -7.701 1.00 0.00 N ATOM 1387 CA VAL A 92 3.988 -13.254 -7.950 1.00 0.00 C ATOM 1388 C VAL A 92 4.489 -14.571 -8.532 1.00 0.00 C ATOM 1389 O VAL A 92 5.619 -14.665 -9.020 1.00 0.00 O ATOM 1390 CB VAL A 92 2.929 -12.653 -8.905 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.263 -11.432 -8.282 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.552 -12.295 -10.245 1.00 0.00 C ATOM 0 H VAL A 92 5.613 -12.063 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 92 3.527 -13.446 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 92 2.162 -13.409 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.523 -11.029 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.772 -11.720 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.017 -10.673 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.789 -11.874 -10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.345 -11.562 -10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.970 -13.192 -10.703 1.00 0.00 H new ATOM 1402 N GLU A 93 3.638 -15.586 -8.467 1.00 0.00 N ATOM 1403 CA GLU A 93 3.936 -16.876 -9.066 1.00 0.00 C ATOM 1404 C GLU A 93 3.025 -17.081 -10.250 1.00 0.00 C ATOM 1405 O GLU A 93 2.148 -16.259 -10.509 1.00 0.00 O ATOM 1406 CB GLU A 93 3.708 -18.018 -8.073 1.00 0.00 C ATOM 1407 CG GLU A 93 2.264 -18.123 -7.593 1.00 0.00 C ATOM 1408 CD GLU A 93 1.982 -19.396 -6.823 1.00 0.00 C ATOM 1409 OE1 GLU A 93 1.809 -20.458 -7.457 1.00 0.00 O ATOM 1410 OE2 GLU A 93 1.922 -19.343 -5.580 1.00 0.00 O ATOM 0 H GLU A 93 2.731 -15.538 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 93 4.983 -16.882 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.997 -18.959 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.360 -17.876 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.035 -17.265 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.597 -18.071 -8.454 1.00 0.00 H new ATOM 1418 N LYS A 94 3.210 -18.176 -10.951 1.00 0.00 N ATOM 1419 CA LYS A 94 2.276 -18.540 -11.991 1.00 0.00 C ATOM 1420 C LYS A 94 1.257 -19.475 -11.392 1.00 0.00 C ATOM 1421 O LYS A 94 1.604 -20.528 -10.848 1.00 0.00 O ATOM 1422 CB LYS A 94 2.976 -19.218 -13.166 1.00 0.00 C ATOM 1423 CG LYS A 94 2.085 -19.409 -14.384 1.00 0.00 C ATOM 1424 CD LYS A 94 2.787 -20.220 -15.460 1.00 0.00 C ATOM 1425 CE LYS A 94 1.960 -20.305 -16.734 1.00 0.00 C ATOM 1426 NZ LYS A 94 0.599 -20.853 -16.489 1.00 0.00 N ATOM 0 H LYS A 94 3.988 -18.823 -10.823 1.00 0.00 H new ATOM 0 HA LYS A 94 1.800 -17.639 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.844 -18.624 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.348 -20.190 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.165 -19.913 -14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.801 -18.436 -14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.753 -19.768 -15.684 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.984 -21.225 -15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.875 -19.312 -17.176 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.477 -20.934 -17.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.373 -21.559 -17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.569 -21.302 -15.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.098 -20.082 -16.526 1.00 0.00 H new ATOM 1440 N LEU A 95 0.010 -19.098 -11.485 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.043 -19.884 -10.888 1.00 0.00 C ATOM 1442 C LEU A 95 -1.488 -20.964 -11.851 1.00 0.00 C ATOM 1443 O LEU A 95 -1.690 -20.710 -13.038 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.216 -18.998 -10.485 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.332 -19.702 -9.721 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -2.819 -20.249 -8.400 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.502 -18.761 -9.494 1.00 0.00 C ATOM 0 H LEU A 95 -0.304 -18.255 -11.966 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.659 -20.358 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.838 -18.180 -9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.639 -18.552 -11.385 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.680 -20.541 -10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.632 -20.747 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.018 -20.963 -8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.439 -19.430 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.288 -19.283 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.169 -17.899 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.891 -18.425 -10.455 1.00 0.00 H new