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 56 SER OG : rot 109:sc= 0.91 USER MOD Set 1.2: A 69 THR OG1 : rot 112:sc= 1.24 USER MOD Set 1.3: A 89 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.01) USER MOD Single : A 48 MET CE :methyl -160:sc= -0.163 (180deg=-0.744) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.894! C(o=-0.89!,f=-9.5!) USER MOD Single : A 55 ASN : amide:sc= -0.0975 K(o=-0.098,f=-3.9!) 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 70 SER OG : rot 89:sc= 0.689 USER MOD Single : A 72 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+ -147:sc= 1.25 (180deg=0.882) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.87) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -2.830 -8.071 0.453 1.00 0.00 N ATOM 601 CA LEU A 40 -2.533 -8.399 -0.926 1.00 0.00 C ATOM 602 C LEU A 40 -1.819 -9.744 -0.986 1.00 0.00 C ATOM 603 O LEU A 40 -1.795 -10.411 -2.019 1.00 0.00 O ATOM 604 CB LEU A 40 -1.645 -7.318 -1.543 1.00 0.00 C ATOM 605 CG LEU A 40 -2.166 -5.884 -1.424 1.00 0.00 C ATOM 606 CD1 LEU A 40 -1.196 -4.913 -2.084 1.00 0.00 C ATOM 607 CD2 LEU A 40 -3.551 -5.755 -2.040 1.00 0.00 C ATOM 0 HA LEU A 40 -3.465 -8.455 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.663 -7.368 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.505 -7.548 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.243 -5.636 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.579 -3.897 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.224 -4.980 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.089 -5.166 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.898 -4.726 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.506 -6.024 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.242 -6.422 -1.524 1.00 0.00 H new ATOM 619 N ILE A 41 -1.245 -10.139 0.146 1.00 0.00 N ATOM 620 CA ILE A 41 -0.469 -11.372 0.236 1.00 0.00 C ATOM 621 C ILE A 41 -1.367 -12.602 0.207 1.00 0.00 C ATOM 622 O ILE A 41 -2.415 -12.639 0.861 1.00 0.00 O ATOM 623 CB ILE A 41 0.382 -11.397 1.526 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.302 -10.174 1.583 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.198 -12.679 1.617 1.00 0.00 C ATOM 626 CD1 ILE A 41 2.275 -10.076 0.426 1.00 0.00 C ATOM 0 H ILE A 41 -1.303 -9.618 1.021 1.00 0.00 H new ATOM 0 HA ILE A 41 0.189 -11.396 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.296 -11.365 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.689 -9.273 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.865 -10.200 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.787 -12.671 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.527 -13.538 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.865 -12.748 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.889 -9.183 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.915 -10.958 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.721 -10.016 -0.511 1.00 0.00 H new ATOM 638 N GLY A 42 -0.957 -13.593 -0.576 1.00 0.00 N ATOM 639 CA GLY A 42 -1.620 -14.878 -0.566 1.00 0.00 C ATOM 640 C GLY A 42 -2.930 -14.887 -1.325 1.00 0.00 C ATOM 641 O GLY A 42 -3.812 -15.694 -1.036 1.00 0.00 O ATOM 0 H GLY A 42 -0.170 -13.525 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.954 -15.625 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.805 -15.174 0.466 1.00 0.00 H new ATOM 645 N ARG A 43 -3.063 -14.005 -2.302 1.00 0.00 N ATOM 646 CA ARG A 43 -4.281 -13.925 -3.089 1.00 0.00 C ATOM 647 C ARG A 43 -3.964 -14.038 -4.575 1.00 0.00 C ATOM 648 O ARG A 43 -2.820 -13.828 -4.990 1.00 0.00 O ATOM 649 CB ARG A 43 -5.005 -12.618 -2.783 1.00 0.00 C ATOM 650 CG ARG A 43 -5.464 -12.533 -1.336 1.00 0.00 C ATOM 651 CD ARG A 43 -5.887 -11.128 -0.944 1.00 0.00 C ATOM 652 NE ARG A 43 -7.130 -10.709 -1.584 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.267 -10.522 -0.920 1.00 0.00 C ATOM 654 NH1 ARG A 43 -8.344 -10.817 0.374 1.00 0.00 N ATOM 655 NH2 ARG A 43 -9.333 -10.046 -1.548 1.00 0.00 N ATOM 0 H ARG A 43 -2.342 -13.335 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.934 -14.756 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.343 -11.780 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.868 -12.522 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.299 -13.217 -1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.657 -12.862 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.007 -11.079 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.094 -10.428 -1.209 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.126 -10.552 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.529 -11.188 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.218 -10.672 0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.282 -9.823 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.204 -9.903 -1.037 1.00 0.00 H new ATOM 669 N LYS A 44 -4.971 -14.383 -5.366 1.00 0.00 N ATOM 670 CA LYS A 44 -4.783 -14.597 -6.791 1.00 0.00 C ATOM 671 C LYS A 44 -5.127 -13.338 -7.585 1.00 0.00 C ATOM 672 O LYS A 44 -6.050 -12.600 -7.233 1.00 0.00 O ATOM 673 CB LYS A 44 -5.654 -15.762 -7.263 1.00 0.00 C ATOM 674 CG LYS A 44 -5.440 -16.118 -8.723 1.00 0.00 C ATOM 675 CD LYS A 44 -6.395 -17.199 -9.209 1.00 0.00 C ATOM 676 CE LYS A 44 -7.848 -16.758 -9.107 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.722 -17.531 -10.026 1.00 0.00 N ATOM 0 H LYS A 44 -5.928 -14.520 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.733 -14.835 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.443 -16.637 -6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.703 -15.509 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.568 -15.224 -9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.413 -16.456 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.163 -17.450 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.248 -18.105 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.196 -16.884 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.923 -15.696 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.702 -17.503 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.680 -17.114 -10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.397 -18.518 -10.066 1.00 0.00 H new ATOM 691 N GLY A 45 -4.388 -13.116 -8.661 1.00 0.00 N ATOM 692 CA GLY A 45 -4.636 -11.996 -9.531 1.00 0.00 C ATOM 693 C GLY A 45 -4.469 -12.397 -10.979 1.00 0.00 C ATOM 694 O GLY A 45 -4.144 -13.548 -11.271 1.00 0.00 O ATOM 0 H GLY A 45 -3.607 -13.707 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.645 -11.618 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.949 -11.184 -9.292 1.00 0.00 H new ATOM 698 N VAL A 46 -4.668 -11.459 -11.880 1.00 0.00 N ATOM 699 CA VAL A 46 -4.595 -11.739 -13.306 1.00 0.00 C ATOM 700 C VAL A 46 -3.522 -10.868 -13.955 1.00 0.00 C ATOM 701 O VAL A 46 -3.316 -9.720 -13.552 1.00 0.00 O ATOM 702 CB VAL A 46 -5.968 -11.515 -13.995 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.424 -10.071 -13.851 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.918 -11.922 -15.462 1.00 0.00 C ATOM 0 H VAL A 46 -4.883 -10.488 -11.652 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.327 -12.788 -13.434 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.698 -12.151 -13.493 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.388 -9.943 -14.343 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.520 -9.824 -12.794 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.691 -9.410 -14.313 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.893 -11.754 -15.920 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.167 -11.325 -15.980 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.658 -12.978 -15.538 1.00 0.00 H new ATOM 714 N VAL A 47 -2.833 -11.425 -14.940 1.00 0.00 N ATOM 715 CA VAL A 47 -1.754 -10.715 -15.617 1.00 0.00 C ATOM 716 C VAL A 47 -2.310 -9.811 -16.709 1.00 0.00 C ATOM 717 O VAL A 47 -2.913 -10.285 -17.675 1.00 0.00 O ATOM 718 CB VAL A 47 -0.735 -11.696 -16.231 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.450 -10.951 -16.823 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.269 -12.704 -15.191 1.00 0.00 C ATOM 0 H VAL A 47 -3.001 -12.368 -15.290 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.244 -10.107 -14.870 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.230 -12.236 -17.038 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.153 -11.666 -17.249 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.102 -10.275 -17.604 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.946 -10.376 -16.041 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.450 -13.388 -15.643 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.203 -12.178 -14.361 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.125 -13.269 -14.823 1.00 0.00 H new ATOM 730 N MET A 48 -2.107 -8.510 -16.546 1.00 0.00 N ATOM 731 CA MET A 48 -2.630 -7.524 -17.478 1.00 0.00 C ATOM 732 C MET A 48 -1.563 -7.086 -18.476 1.00 0.00 C ATOM 733 O MET A 48 -1.880 -6.609 -19.567 1.00 0.00 O ATOM 734 CB MET A 48 -3.153 -6.312 -16.713 1.00 0.00 C ATOM 735 CG MET A 48 -4.256 -6.653 -15.723 1.00 0.00 C ATOM 736 SD MET A 48 -5.709 -7.364 -16.513 1.00 0.00 S ATOM 737 CE MET A 48 -6.171 -6.042 -17.632 1.00 0.00 C ATOM 0 H MET A 48 -1.579 -8.112 -15.769 1.00 0.00 H new ATOM 0 HA MET A 48 -3.447 -7.984 -18.034 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.326 -5.845 -16.178 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.528 -5.577 -17.425 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.870 -7.355 -14.984 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.546 -5.751 -15.185 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.214 -6.161 -17.924 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.040 -5.081 -17.134 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.539 -6.079 -18.520 1.00 0.00 H new ATOM 747 N GLU A 49 -0.302 -7.231 -18.091 1.00 0.00 N ATOM 748 CA GLU A 49 0.809 -6.927 -18.984 1.00 0.00 C ATOM 749 C GLU A 49 1.923 -7.948 -18.788 1.00 0.00 C ATOM 750 O GLU A 49 2.094 -8.475 -17.690 1.00 0.00 O ATOM 751 CB GLU A 49 1.329 -5.504 -18.744 1.00 0.00 C ATOM 752 CG GLU A 49 2.420 -5.072 -19.715 1.00 0.00 C ATOM 753 CD GLU A 49 2.021 -5.272 -21.165 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.373 -6.324 -21.744 1.00 0.00 O ATOM 755 OE2 GLU A 49 1.359 -4.383 -21.735 1.00 0.00 O ATOM 0 H GLU A 49 -0.023 -7.557 -17.166 1.00 0.00 H new ATOM 0 HA GLU A 49 0.456 -6.983 -20.014 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.495 -4.806 -18.817 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.714 -5.436 -17.727 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.655 -4.021 -19.548 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.329 -5.638 -19.510 1.00 0.00 H new ATOM 763 N ALA A 50 2.666 -8.210 -19.859 1.00 0.00 N ATOM 764 CA ALA A 50 3.702 -9.233 -19.866 1.00 0.00 C ATOM 765 C ALA A 50 4.720 -9.002 -18.761 1.00 0.00 C ATOM 766 O ALA A 50 5.337 -7.934 -18.672 1.00 0.00 O ATOM 767 CB ALA A 50 4.394 -9.272 -21.220 1.00 0.00 C ATOM 0 H ALA A 50 2.565 -7.718 -20.747 1.00 0.00 H new ATOM 0 HA ALA A 50 3.223 -10.195 -19.682 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.166 -10.041 -21.212 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.663 -9.500 -21.996 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.849 -8.303 -21.424 1.00 0.00 H new ATOM 773 N ILE A 51 4.882 -10.006 -17.917 1.00 0.00 N ATOM 774 CA ILE A 51 5.825 -9.942 -16.816 1.00 0.00 C ATOM 775 C ILE A 51 7.044 -10.794 -17.126 1.00 0.00 C ATOM 776 O ILE A 51 6.927 -12.002 -17.332 1.00 0.00 O ATOM 777 CB ILE A 51 5.194 -10.444 -15.496 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.934 -9.642 -15.160 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.204 -10.354 -14.359 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.192 -10.154 -13.948 1.00 0.00 C ATOM 0 H ILE A 51 4.366 -10.884 -17.975 1.00 0.00 H new ATOM 0 HA ILE A 51 6.112 -8.898 -16.693 1.00 0.00 H new ATOM 0 HB ILE A 51 4.909 -11.488 -15.625 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.211 -8.601 -14.992 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.264 -9.659 -16.019 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.746 -10.711 -13.436 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.073 -10.969 -14.594 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.517 -9.318 -14.232 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.311 -9.536 -13.773 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.883 -11.185 -14.119 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.845 -10.111 -13.076 1.00 0.00 H new ATOM 792 N SER A 52 8.207 -10.170 -17.176 1.00 0.00 N ATOM 793 CA SER A 52 9.436 -10.903 -17.368 1.00 0.00 C ATOM 794 C SER A 52 10.345 -10.671 -16.163 1.00 0.00 C ATOM 795 O SER A 52 10.089 -9.780 -15.351 1.00 0.00 O ATOM 796 CB SER A 52 10.133 -10.475 -18.662 1.00 0.00 C ATOM 797 OG SER A 52 9.200 -9.981 -19.613 1.00 0.00 O ATOM 0 H SER A 52 8.322 -9.160 -17.086 1.00 0.00 H new ATOM 0 HA SER A 52 9.210 -11.966 -17.455 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.873 -9.705 -18.442 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.672 -11.323 -19.085 1.00 0.00 H new ATOM 0 HG SER A 52 9.674 -9.714 -20.428 1.00 0.00 H new ATOM 803 N PRO A 53 11.401 -11.473 -16.018 1.00 0.00 N ATOM 804 CA PRO A 53 12.333 -11.355 -14.896 1.00 0.00 C ATOM 805 C PRO A 53 13.059 -10.015 -14.900 1.00 0.00 C ATOM 806 O PRO A 53 13.333 -9.438 -13.846 1.00 0.00 O ATOM 807 CB PRO A 53 13.327 -12.504 -15.120 1.00 0.00 C ATOM 808 CG PRO A 53 12.668 -13.416 -16.101 1.00 0.00 C ATOM 809 CD PRO A 53 11.781 -12.547 -16.940 1.00 0.00 C ATOM 0 HA PRO A 53 11.822 -11.408 -13.935 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.276 -12.132 -15.506 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.544 -13.023 -14.186 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.408 -13.928 -16.716 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.090 -14.186 -15.591 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.305 -12.161 -17.815 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.910 -13.092 -17.305 1.00 0.00 H new ATOM 817 N GLN A 54 13.349 -9.519 -16.099 1.00 0.00 N ATOM 818 CA GLN A 54 14.113 -8.292 -16.261 1.00 0.00 C ATOM 819 C GLN A 54 13.222 -7.059 -16.132 1.00 0.00 C ATOM 820 O GLN A 54 13.573 -6.105 -15.439 1.00 0.00 O ATOM 821 CB GLN A 54 14.831 -8.276 -17.617 1.00 0.00 C ATOM 822 CG GLN A 54 15.675 -9.518 -17.886 1.00 0.00 C ATOM 823 CD GLN A 54 14.907 -10.613 -18.611 1.00 0.00 C ATOM 824 OE1 GLN A 54 13.684 -10.703 -18.510 1.00 0.00 O ATOM 825 NE2 GLN A 54 15.623 -11.464 -19.328 1.00 0.00 N ATOM 0 H GLN A 54 13.063 -9.953 -16.977 1.00 0.00 H new ATOM 0 HA GLN A 54 14.856 -8.262 -15.464 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.089 -8.175 -18.409 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.472 -7.396 -17.667 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.545 -9.238 -18.480 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.048 -9.909 -16.939 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.636 -11.355 -19.387 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.162 -12.228 -19.822 1.00 0.00 H new ATOM 834 N ASN A 55 12.065 -7.079 -16.785 1.00 0.00 N ATOM 835 CA ASN A 55 11.156 -5.940 -16.740 1.00 0.00 C ATOM 836 C ASN A 55 9.818 -6.376 -16.164 1.00 0.00 C ATOM 837 O ASN A 55 9.191 -7.313 -16.663 1.00 0.00 O ATOM 838 CB ASN A 55 10.965 -5.333 -18.139 1.00 0.00 C ATOM 839 CG ASN A 55 10.364 -3.932 -18.106 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.642 -3.562 -17.177 1.00 0.00 O ATOM 841 ND2 ASN A 55 10.659 -3.139 -19.125 1.00 0.00 N ATOM 0 H ASN A 55 11.737 -7.864 -17.347 1.00 0.00 H new ATOM 0 HA ASN A 55 11.590 -5.173 -16.099 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.928 -5.297 -18.647 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.319 -5.985 -18.726 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.286 -2.190 -19.158 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.259 -3.477 -19.877 1.00 0.00 H new ATOM 848 N SER A 56 9.392 -5.696 -15.111 1.00 0.00 N ATOM 849 CA SER A 56 8.172 -6.051 -14.406 1.00 0.00 C ATOM 850 C SER A 56 6.939 -5.791 -15.273 1.00 0.00 C ATOM 851 O SER A 56 6.980 -4.991 -16.214 1.00 0.00 O ATOM 852 CB SER A 56 8.080 -5.249 -13.109 1.00 0.00 C ATOM 853 OG SER A 56 9.322 -5.264 -12.419 1.00 0.00 O ATOM 0 H SER A 56 9.879 -4.888 -14.724 1.00 0.00 H new ATOM 0 HA SER A 56 8.202 -7.116 -14.176 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.794 -4.221 -13.331 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.300 -5.666 -12.472 1.00 0.00 H new ATOM 0 HG SER A 56 9.736 -4.377 -12.472 1.00 0.00 H new ATOM 859 N GLY A 57 5.848 -6.461 -14.950 1.00 0.00 N ATOM 860 CA GLY A 57 4.628 -6.297 -15.708 1.00 0.00 C ATOM 861 C GLY A 57 3.503 -5.770 -14.849 1.00 0.00 C ATOM 862 O GLY A 57 3.741 -5.264 -13.750 1.00 0.00 O ATOM 0 H GLY A 57 5.784 -7.119 -14.173 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.804 -5.612 -16.537 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.337 -7.254 -16.141 1.00 0.00 H new ATOM 866 N LEU A 58 2.279 -5.900 -15.333 1.00 0.00 N ATOM 867 CA LEU A 58 1.124 -5.372 -14.629 1.00 0.00 C ATOM 868 C LEU A 58 0.137 -6.480 -14.287 1.00 0.00 C ATOM 869 O LEU A 58 -0.137 -7.353 -15.111 1.00 0.00 O ATOM 870 CB LEU A 58 0.431 -4.313 -15.485 1.00 0.00 C ATOM 871 CG LEU A 58 1.229 -3.032 -15.720 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.469 -2.089 -16.640 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.538 -2.348 -14.395 1.00 0.00 C ATOM 0 H LEU A 58 2.060 -6.368 -16.213 1.00 0.00 H new ATOM 0 HA LEU A 58 1.471 -4.921 -13.699 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.191 -4.753 -16.453 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.515 -4.050 -15.011 1.00 0.00 H new ATOM 0 HG LEU A 58 2.170 -3.297 -16.202 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.054 -1.182 -16.795 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.295 -2.577 -17.599 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.488 -1.830 -16.186 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.107 -1.437 -14.580 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.606 -2.097 -13.889 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.123 -3.020 -13.766 1.00 0.00 H new ATOM 885 N VAL A 59 -0.392 -6.442 -13.072 1.00 0.00 N ATOM 886 CA VAL A 59 -1.414 -7.387 -12.640 1.00 0.00 C ATOM 887 C VAL A 59 -2.590 -6.643 -12.021 1.00 0.00 C ATOM 888 O VAL A 59 -2.429 -5.539 -11.501 1.00 0.00 O ATOM 889 CB VAL A 59 -0.871 -8.409 -11.613 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.128 -9.350 -12.263 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.237 -7.702 -10.421 1.00 0.00 C ATOM 0 H VAL A 59 -0.127 -5.760 -12.361 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.735 -7.933 -13.527 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.714 -8.998 -11.252 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.496 -10.059 -11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.358 -9.892 -13.074 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.964 -8.775 -12.661 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.136 -8.443 -9.715 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.589 -7.080 -10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.983 -7.077 -9.930 1.00 0.00 H new ATOM 901 N LYS A 60 -3.769 -7.238 -12.092 1.00 0.00 N ATOM 902 CA LYS A 60 -4.953 -6.635 -11.500 1.00 0.00 C ATOM 903 C LYS A 60 -5.178 -7.183 -10.101 1.00 0.00 C ATOM 904 O LYS A 60 -5.286 -8.394 -9.912 1.00 0.00 O ATOM 905 CB LYS A 60 -6.190 -6.899 -12.355 1.00 0.00 C ATOM 906 CG LYS A 60 -7.440 -6.215 -11.824 1.00 0.00 C ATOM 907 CD LYS A 60 -8.700 -6.723 -12.496 1.00 0.00 C ATOM 908 CE LYS A 60 -8.691 -6.453 -13.992 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.936 -6.938 -14.643 1.00 0.00 N ATOM 0 H LYS A 60 -3.932 -8.134 -12.551 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.789 -5.559 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.001 -6.557 -13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.366 -7.974 -12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.513 -6.378 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.357 -5.139 -11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.799 -7.794 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.570 -6.245 -12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.580 -5.383 -14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.829 -6.942 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.895 -6.737 -15.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.028 -7.963 -14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.757 -6.453 -14.227 1.00 0.00 H new ATOM 923 N VAL A 61 -5.231 -6.288 -9.127 1.00 0.00 N ATOM 924 CA VAL A 61 -5.491 -6.667 -7.748 1.00 0.00 C ATOM 925 C VAL A 61 -6.683 -5.882 -7.219 1.00 0.00 C ATOM 926 O VAL A 61 -6.600 -4.661 -7.038 1.00 0.00 O ATOM 927 CB VAL A 61 -4.267 -6.420 -6.839 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.543 -6.894 -5.421 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.027 -7.107 -7.395 1.00 0.00 C ATOM 0 H VAL A 61 -5.096 -5.287 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.706 -7.736 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.081 -5.346 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.667 -6.710 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.397 -6.351 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.763 -7.961 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.180 -6.917 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.204 -8.181 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.809 -6.716 -8.389 1.00 0.00 H new ATOM 939 N ASP A 62 -7.787 -6.594 -7.006 1.00 0.00 N ATOM 940 CA ASP A 62 -9.044 -6.020 -6.519 1.00 0.00 C ATOM 941 C ASP A 62 -9.660 -5.080 -7.548 1.00 0.00 C ATOM 942 O ASP A 62 -10.564 -5.465 -8.291 1.00 0.00 O ATOM 943 CB ASP A 62 -8.850 -5.303 -5.180 1.00 0.00 C ATOM 944 CG ASP A 62 -10.143 -4.727 -4.631 1.00 0.00 C ATOM 945 OD1 ASP A 62 -10.131 -3.564 -4.175 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.178 -5.430 -4.656 1.00 0.00 O ATOM 0 H ASP A 62 -7.837 -7.600 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.736 -6.847 -6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.432 -6.002 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.123 -4.500 -5.304 1.00 0.00 H new ATOM 952 N GLY A 63 -9.154 -3.861 -7.601 1.00 0.00 N ATOM 953 CA GLY A 63 -9.665 -2.883 -8.541 1.00 0.00 C ATOM 954 C GLY A 63 -8.575 -2.000 -9.109 1.00 0.00 C ATOM 955 O GLY A 63 -8.854 -1.060 -9.856 1.00 0.00 O ATOM 0 H GLY A 63 -8.394 -3.527 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.172 -3.398 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.410 -2.261 -8.044 1.00 0.00 H new ATOM 959 N GLU A 64 -7.331 -2.303 -8.774 1.00 0.00 N ATOM 960 CA GLU A 64 -6.212 -1.512 -9.245 1.00 0.00 C ATOM 961 C GLU A 64 -5.249 -2.359 -10.058 1.00 0.00 C ATOM 962 O GLU A 64 -5.246 -3.586 -9.956 1.00 0.00 O ATOM 963 CB GLU A 64 -5.464 -0.895 -8.070 1.00 0.00 C ATOM 964 CG GLU A 64 -6.266 0.131 -7.297 1.00 0.00 C ATOM 965 CD GLU A 64 -5.432 0.847 -6.259 1.00 0.00 C ATOM 966 OE1 GLU A 64 -4.907 1.941 -6.563 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.290 0.321 -5.140 1.00 0.00 O ATOM 0 H GLU A 64 -7.074 -3.090 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.611 -0.721 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.159 -1.690 -7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.553 -0.425 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.683 0.861 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.107 -0.361 -6.808 1.00 0.00 H new ATOM 975 N THR A 65 -4.430 -1.697 -10.856 1.00 0.00 N ATOM 976 CA THR A 65 -3.387 -2.368 -11.601 1.00 0.00 C ATOM 977 C THR A 65 -2.052 -2.150 -10.903 1.00 0.00 C ATOM 978 O THR A 65 -1.552 -1.026 -10.834 1.00 0.00 O ATOM 979 CB THR A 65 -3.295 -1.840 -13.040 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.611 -1.664 -13.581 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.505 -2.801 -13.921 1.00 0.00 C ATOM 0 H THR A 65 -4.470 -0.688 -11.003 1.00 0.00 H new ATOM 0 HA THR A 65 -3.628 -3.430 -11.642 1.00 0.00 H new ATOM 0 HB THR A 65 -2.777 -0.881 -13.020 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.545 -1.325 -14.498 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.453 -2.406 -14.935 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.496 -2.913 -13.524 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.000 -3.772 -13.935 1.00 0.00 H new ATOM 989 N TRP A 66 -1.492 -3.218 -10.377 1.00 0.00 N ATOM 990 CA TRP A 66 -0.245 -3.135 -9.636 1.00 0.00 C ATOM 991 C TRP A 66 0.903 -3.666 -10.478 1.00 0.00 C ATOM 992 O TRP A 66 0.688 -4.360 -11.475 1.00 0.00 O ATOM 993 CB TRP A 66 -0.336 -3.926 -8.329 1.00 0.00 C ATOM 994 CG TRP A 66 -1.274 -3.324 -7.325 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.639 -3.385 -7.329 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.910 -2.575 -6.158 1.00 0.00 C ATOM 997 NE1 TRP A 66 -3.146 -2.718 -6.240 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.104 -2.216 -5.504 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.308 -2.182 -5.600 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.116 -1.473 -4.327 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.297 -1.441 -4.431 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.908 -1.099 -3.803 1.00 0.00 C ATOM 0 H TRP A 66 -1.880 -4.159 -10.447 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.061 -2.087 -9.398 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.660 -4.943 -8.552 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.658 -3.997 -7.888 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.233 -3.885 -8.079 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.136 -2.613 -6.016 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.241 -2.451 -6.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.044 -1.202 -3.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.232 -1.121 -3.996 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.883 -0.528 -2.886 1.00 0.00 H new ATOM 1013 N ARG A 67 2.119 -3.343 -10.077 1.00 0.00 N ATOM 1014 CA ARG A 67 3.294 -3.807 -10.779 1.00 0.00 C ATOM 1015 C ARG A 67 3.737 -5.113 -10.166 1.00 0.00 C ATOM 1016 O ARG A 67 3.638 -5.297 -8.955 1.00 0.00 O ATOM 1017 CB ARG A 67 4.441 -2.796 -10.698 1.00 0.00 C ATOM 1018 CG ARG A 67 4.109 -1.416 -11.240 1.00 0.00 C ATOM 1019 CD ARG A 67 3.196 -0.658 -10.288 1.00 0.00 C ATOM 1020 NE ARG A 67 3.045 0.751 -10.643 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.101 1.548 -10.134 1.00 0.00 C ATOM 1022 NH1 ARG A 67 1.223 1.065 -9.258 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.041 2.820 -10.496 1.00 0.00 N ATOM 0 H ARG A 67 2.315 -2.758 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 67 3.038 -3.936 -11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.749 -2.698 -9.657 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.296 -3.191 -11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.029 -0.851 -11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.627 -1.510 -12.213 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.215 -1.132 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.594 -0.731 -9.276 1.00 0.00 H new ATOM 0 HE ARG A 67 3.698 1.149 -11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.271 0.086 -8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.503 1.674 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.716 3.192 -11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.320 3.428 -10.107 1.00 0.00 H new ATOM 1037 N ALA A 68 4.235 -6.005 -10.987 1.00 0.00 N ATOM 1038 CA ALA A 68 4.591 -7.335 -10.522 1.00 0.00 C ATOM 1039 C ALA A 68 5.832 -7.855 -11.224 1.00 0.00 C ATOM 1040 O ALA A 68 6.012 -7.659 -12.425 1.00 0.00 O ATOM 1041 CB ALA A 68 3.426 -8.291 -10.720 1.00 0.00 C ATOM 0 H ALA A 68 4.405 -5.841 -11.979 1.00 0.00 H new ATOM 0 HA ALA A 68 4.817 -7.269 -9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.706 -9.284 -10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.564 -7.936 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.172 -8.340 -11.779 1.00 0.00 H new ATOM 1047 N THR A 69 6.679 -8.519 -10.462 1.00 0.00 N ATOM 1048 CA THR A 69 7.874 -9.137 -10.996 1.00 0.00 C ATOM 1049 C THR A 69 7.806 -10.645 -10.770 1.00 0.00 C ATOM 1050 O THR A 69 7.055 -11.109 -9.909 1.00 0.00 O ATOM 1051 CB THR A 69 9.133 -8.578 -10.313 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.868 -7.270 -9.786 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.287 -8.498 -11.295 1.00 0.00 C ATOM 0 H THR A 69 6.557 -8.644 -9.457 1.00 0.00 H new ATOM 0 HA THR A 69 7.931 -8.918 -12.062 1.00 0.00 H new ATOM 0 HB THR A 69 9.406 -9.252 -9.501 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.877 -7.304 -8.807 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.167 -8.100 -10.790 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.508 -9.494 -11.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.016 -7.843 -12.123 1.00 0.00 H new ATOM 1061 N SER A 70 8.579 -11.405 -11.532 1.00 0.00 N ATOM 1062 CA SER A 70 8.571 -12.850 -11.408 1.00 0.00 C ATOM 1063 C SER A 70 9.850 -13.435 -11.999 1.00 0.00 C ATOM 1064 O SER A 70 10.649 -12.712 -12.593 1.00 0.00 O ATOM 1065 CB SER A 70 7.343 -13.431 -12.114 1.00 0.00 C ATOM 1066 OG SER A 70 7.134 -14.786 -11.752 1.00 0.00 O ATOM 0 H SER A 70 9.217 -11.043 -12.240 1.00 0.00 H new ATOM 0 HA SER A 70 8.524 -13.114 -10.352 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.461 -12.844 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.472 -13.357 -13.194 1.00 0.00 H new ATOM 0 HG SER A 70 6.567 -14.828 -10.954 1.00 0.00 H new ATOM 1072 N GLY A 71 10.041 -14.738 -11.819 1.00 0.00 N ATOM 1073 CA GLY A 71 11.204 -15.410 -12.367 1.00 0.00 C ATOM 1074 C GLY A 71 10.869 -16.146 -13.651 1.00 0.00 C ATOM 1075 O GLY A 71 11.740 -16.729 -14.297 1.00 0.00 O ATOM 0 H GLY A 71 9.406 -15.344 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.990 -14.680 -12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.597 -16.115 -11.634 1.00 0.00 H new ATOM 1079 N THR A 72 9.593 -16.127 -14.012 1.00 0.00 N ATOM 1080 CA THR A 72 9.125 -16.755 -15.236 1.00 0.00 C ATOM 1081 C THR A 72 8.408 -15.716 -16.094 1.00 0.00 C ATOM 1082 O THR A 72 8.094 -14.625 -15.615 1.00 0.00 O ATOM 1083 CB THR A 72 8.169 -17.924 -14.925 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.555 -18.552 -13.694 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.187 -18.960 -16.037 1.00 0.00 C ATOM 0 H THR A 72 8.858 -15.678 -13.466 1.00 0.00 H new ATOM 0 HA THR A 72 9.985 -17.152 -15.776 1.00 0.00 H new ATOM 0 HB THR A 72 7.160 -17.520 -14.841 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.944 -19.293 -13.499 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.503 -19.772 -15.789 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.875 -18.495 -16.972 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.196 -19.357 -16.148 1.00 0.00 H new ATOM 1093 N VAL A 73 8.158 -16.041 -17.351 1.00 0.00 N ATOM 1094 CA VAL A 73 7.488 -15.114 -18.253 1.00 0.00 C ATOM 1095 C VAL A 73 5.979 -15.300 -18.180 1.00 0.00 C ATOM 1096 O VAL A 73 5.453 -16.360 -18.518 1.00 0.00 O ATOM 1097 CB VAL A 73 7.964 -15.292 -19.707 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.263 -14.306 -20.627 1.00 0.00 C ATOM 1099 CG2 VAL A 73 9.472 -15.121 -19.795 1.00 0.00 C ATOM 0 H VAL A 73 8.407 -16.936 -17.771 1.00 0.00 H new ATOM 0 HA VAL A 73 7.745 -14.104 -17.933 1.00 0.00 H new ATOM 0 HB VAL A 73 7.709 -16.301 -20.030 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.614 -14.449 -21.649 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.187 -14.473 -20.586 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.485 -13.288 -20.306 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.793 -15.250 -20.829 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.746 -14.123 -19.452 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.960 -15.867 -19.168 1.00 0.00 H new ATOM 1109 N LEU A 74 5.295 -14.268 -17.715 1.00 0.00 N ATOM 1110 CA LEU A 74 3.852 -14.313 -17.547 1.00 0.00 C ATOM 1111 C LEU A 74 3.165 -13.502 -18.638 1.00 0.00 C ATOM 1112 O LEU A 74 3.477 -12.325 -18.838 1.00 0.00 O ATOM 1113 CB LEU A 74 3.471 -13.767 -16.170 1.00 0.00 C ATOM 1114 CG LEU A 74 4.212 -14.405 -14.994 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.859 -13.706 -13.691 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.898 -15.889 -14.907 1.00 0.00 C ATOM 0 H LEU A 74 5.721 -13.381 -17.445 1.00 0.00 H new ATOM 0 HA LEU A 74 3.523 -15.349 -17.624 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.657 -12.693 -16.157 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.400 -13.907 -16.024 1.00 0.00 H new ATOM 0 HG LEU A 74 5.283 -14.289 -15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.397 -14.176 -12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.140 -12.655 -13.754 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.786 -13.785 -13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.434 -16.326 -14.064 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.826 -16.026 -14.765 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.208 -16.381 -15.829 1.00 0.00 H new ATOM 1128 N ASP A 75 2.235 -14.135 -19.336 1.00 0.00 N ATOM 1129 CA ASP A 75 1.536 -13.490 -20.442 1.00 0.00 C ATOM 1130 C ASP A 75 0.192 -12.936 -20.003 1.00 0.00 C ATOM 1131 O ASP A 75 -0.330 -13.298 -18.945 1.00 0.00 O ATOM 1132 CB ASP A 75 1.323 -14.469 -21.593 1.00 0.00 C ATOM 1133 CG ASP A 75 2.586 -14.735 -22.378 1.00 0.00 C ATOM 1134 OD1 ASP A 75 3.365 -15.622 -21.973 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.797 -14.065 -23.411 1.00 0.00 O ATOM 0 H ASP A 75 1.945 -15.096 -19.158 1.00 0.00 H new ATOM 0 HA ASP A 75 2.163 -12.664 -20.779 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.942 -15.410 -21.197 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.560 -14.073 -22.264 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.374 -12.083 -20.844 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.635 -11.424 -20.542 1.00 0.00 C ATOM 1143 C VAL A 76 -2.790 -12.407 -20.665 1.00 0.00 C ATOM 1144 O VAL A 76 -3.071 -12.922 -21.747 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.887 -10.224 -21.477 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.139 -9.467 -21.060 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.680 -9.298 -21.503 1.00 0.00 C ATOM 0 H VAL A 76 0.025 -11.830 -21.748 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.571 -11.057 -19.518 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.043 -10.607 -22.485 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.296 -8.625 -21.734 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.000 -10.134 -21.106 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.019 -9.099 -20.041 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.880 -8.458 -22.169 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.486 -8.925 -20.497 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.191 -9.846 -21.862 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.454 -12.664 -19.552 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.539 -13.624 -19.542 1.00 0.00 C ATOM 1159 C GLY A 77 -4.325 -14.706 -18.507 1.00 0.00 C ATOM 1160 O GLY A 77 -5.266 -15.404 -18.119 1.00 0.00 O ATOM 0 H GLY A 77 -3.262 -12.225 -18.652 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.478 -13.109 -19.340 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.631 -14.078 -20.529 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.079 -14.846 -18.063 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.738 -15.807 -17.035 1.00 0.00 C ATOM 1166 C GLU A 78 -3.194 -15.343 -15.664 1.00 0.00 C ATOM 1167 O GLU A 78 -3.564 -14.182 -15.471 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.237 -16.031 -16.997 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.713 -16.889 -18.124 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.342 -18.270 -18.162 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -1.675 -18.741 -19.272 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.493 -18.890 -17.092 1.00 0.00 O ATOM 0 H GLU A 78 -2.289 -14.299 -18.406 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.250 -16.737 -17.282 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.735 -15.064 -17.027 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.974 -16.497 -16.047 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.899 -16.385 -19.073 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.368 -16.991 -18.023 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.126 -16.255 -14.713 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.463 -15.954 -13.334 1.00 0.00 C ATOM 1182 C GLU A 79 -2.270 -16.242 -12.446 1.00 0.00 C ATOM 1183 O GLU A 79 -1.607 -17.272 -12.587 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.677 -16.760 -12.869 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.929 -16.485 -13.677 1.00 0.00 C ATOM 1186 CD GLU A 79 -7.171 -17.049 -13.020 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.795 -16.334 -12.208 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.523 -18.212 -13.302 1.00 0.00 O ATOM 0 H GLU A 79 -2.837 -17.220 -14.873 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.721 -14.897 -13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.442 -17.823 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.873 -16.534 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.046 -15.409 -13.807 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.819 -16.916 -14.672 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.988 -15.326 -11.539 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.838 -15.463 -10.662 1.00 0.00 C ATOM 1198 C VAL A 80 -1.238 -15.269 -9.211 1.00 0.00 C ATOM 1199 O VAL A 80 -2.258 -14.658 -8.916 1.00 0.00 O ATOM 1200 CB VAL A 80 0.270 -14.450 -11.022 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.843 -14.746 -12.397 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.262 -13.024 -10.963 1.00 0.00 C ATOM 0 H VAL A 80 -2.538 -14.480 -11.389 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.450 -16.472 -10.799 1.00 0.00 H new ATOM 0 HB VAL A 80 1.069 -14.549 -10.288 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.622 -14.020 -12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.268 -15.750 -12.406 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.051 -14.681 -13.143 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.536 -12.327 -11.220 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.083 -12.913 -11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.620 -12.810 -9.956 1.00 0.00 H new ATOM 1212 N SER A 81 -0.451 -15.821 -8.312 1.00 0.00 N ATOM 1213 CA SER A 81 -0.670 -15.617 -6.892 1.00 0.00 C ATOM 1214 C SER A 81 0.475 -14.805 -6.294 1.00 0.00 C ATOM 1215 O SER A 81 1.644 -15.025 -6.625 1.00 0.00 O ATOM 1216 CB SER A 81 -0.812 -16.959 -6.174 1.00 0.00 C ATOM 1217 OG SER A 81 -1.869 -17.724 -6.733 1.00 0.00 O ATOM 0 H SER A 81 0.347 -16.415 -8.537 1.00 0.00 H new ATOM 0 HA SER A 81 -1.597 -15.059 -6.758 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.123 -17.515 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.001 -16.790 -5.114 1.00 0.00 H new ATOM 0 HG SER A 81 -1.940 -18.579 -6.259 1.00 0.00 H new ATOM 1223 N VAL A 82 0.127 -13.857 -5.435 1.00 0.00 N ATOM 1224 CA VAL A 82 1.106 -12.962 -4.826 1.00 0.00 C ATOM 1225 C VAL A 82 1.818 -13.635 -3.658 1.00 0.00 C ATOM 1226 O VAL A 82 1.195 -13.955 -2.644 1.00 0.00 O ATOM 1227 CB VAL A 82 0.441 -11.658 -4.326 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.488 -10.681 -3.808 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.392 -11.021 -5.430 1.00 0.00 C ATOM 0 H VAL A 82 -0.835 -13.686 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 82 1.835 -12.719 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.224 -11.911 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.997 -9.771 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.033 -11.136 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.184 -10.435 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.851 -10.105 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.249 -10.786 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.171 -11.715 -5.744 1.00 0.00 H new ATOM 1239 N LYS A 83 3.122 -13.850 -3.813 1.00 0.00 N ATOM 1240 CA LYS A 83 3.941 -14.422 -2.762 1.00 0.00 C ATOM 1241 C LYS A 83 4.246 -13.379 -1.696 1.00 0.00 C ATOM 1242 O LYS A 83 3.990 -13.590 -0.511 1.00 0.00 O ATOM 1243 CB LYS A 83 5.257 -14.939 -3.344 1.00 0.00 C ATOM 1244 CG LYS A 83 5.164 -16.267 -4.057 1.00 0.00 C ATOM 1245 CD LYS A 83 4.493 -17.286 -3.178 1.00 0.00 C ATOM 1246 CE LYS A 83 4.717 -18.707 -3.677 1.00 0.00 C ATOM 1247 NZ LYS A 83 4.501 -18.831 -5.142 1.00 0.00 N ATOM 0 H LYS A 83 3.633 -13.632 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 83 3.389 -15.247 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.645 -14.196 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.984 -15.028 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.603 -16.151 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.162 -16.612 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.875 -17.195 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.423 -17.081 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.733 -19.019 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.042 -19.384 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.115 -19.772 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.830 -18.101 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.406 -18.706 -5.638 1.00 0.00 H new ATOM 1261 N ALA A 84 4.780 -12.249 -2.136 1.00 0.00 N ATOM 1262 CA ALA A 84 5.221 -11.204 -1.224 1.00 0.00 C ATOM 1263 C ALA A 84 5.295 -9.864 -1.938 1.00 0.00 C ATOM 1264 O ALA A 84 5.005 -9.769 -3.133 1.00 0.00 O ATOM 1265 CB ALA A 84 6.581 -11.562 -0.636 1.00 0.00 C ATOM 0 H ALA A 84 4.919 -12.032 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 84 4.495 -11.123 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.902 -10.774 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.506 -12.503 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.309 -11.665 -1.440 1.00 0.00 H new ATOM 1271 N ILE A 85 5.685 -8.833 -1.204 1.00 0.00 N ATOM 1272 CA ILE A 85 5.829 -7.496 -1.762 1.00 0.00 C ATOM 1273 C ILE A 85 7.286 -7.056 -1.650 1.00 0.00 C ATOM 1274 O ILE A 85 7.898 -7.205 -0.593 1.00 0.00 O ATOM 1275 CB ILE A 85 4.918 -6.482 -1.027 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.468 -6.975 -1.016 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.999 -5.104 -1.672 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.522 -6.067 -0.264 1.00 0.00 C ATOM 0 H ILE A 85 5.909 -8.898 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 85 5.528 -7.524 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 85 5.270 -6.399 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.120 -7.076 -2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.435 -7.969 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.349 -4.412 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.027 -4.743 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.679 -5.170 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.514 -6.481 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.844 -5.985 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.524 -5.078 -0.723 1.00 0.00 H new ATOM 1290 N GLU A 86 7.846 -6.531 -2.732 1.00 0.00 N ATOM 1291 CA GLU A 86 9.251 -6.151 -2.749 1.00 0.00 C ATOM 1292 C GLU A 86 9.410 -4.633 -2.733 1.00 0.00 C ATOM 1293 O GLU A 86 10.495 -4.105 -2.972 1.00 0.00 O ATOM 1294 CB GLU A 86 9.939 -6.740 -3.977 1.00 0.00 C ATOM 1295 CG GLU A 86 9.360 -6.268 -5.297 1.00 0.00 C ATOM 1296 CD GLU A 86 10.139 -6.795 -6.481 1.00 0.00 C ATOM 1297 OE1 GLU A 86 9.573 -7.570 -7.277 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.332 -6.448 -6.614 1.00 0.00 O ATOM 0 H GLU A 86 7.350 -6.359 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 86 9.722 -6.550 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.998 -6.484 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.872 -7.827 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.322 -6.592 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.357 -5.178 -5.322 1.00 0.00 H new ATOM 1306 N GLY A 87 8.319 -3.944 -2.444 1.00 0.00 N ATOM 1307 CA GLY A 87 8.330 -2.498 -2.410 1.00 0.00 C ATOM 1308 C GLY A 87 7.111 -1.922 -3.092 1.00 0.00 C ATOM 1309 O GLY A 87 5.986 -2.097 -2.624 1.00 0.00 O ATOM 0 H GLY A 87 7.416 -4.366 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.365 -2.157 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.231 -2.128 -2.899 1.00 0.00 H new ATOM 1313 N VAL A 88 7.333 -1.237 -4.200 1.00 0.00 N ATOM 1314 CA VAL A 88 6.241 -0.705 -5.004 1.00 0.00 C ATOM 1315 C VAL A 88 5.752 -1.771 -5.987 1.00 0.00 C ATOM 1316 O VAL A 88 4.740 -1.602 -6.670 1.00 0.00 O ATOM 1317 CB VAL A 88 6.677 0.573 -5.763 1.00 0.00 C ATOM 1318 CG1 VAL A 88 7.721 0.254 -6.825 1.00 0.00 C ATOM 1319 CG2 VAL A 88 5.478 1.286 -6.375 1.00 0.00 C ATOM 0 H VAL A 88 8.263 -1.034 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 88 5.423 -0.433 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 88 7.133 1.247 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.007 1.171 -7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.599 -0.185 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.305 -0.452 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.815 2.179 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.977 0.619 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.782 1.571 -5.586 1.00 0.00 H new ATOM 1329 N LYS A 89 6.474 -2.885 -6.034 1.00 0.00 N ATOM 1330 CA LYS A 89 6.128 -3.978 -6.922 1.00 0.00 C ATOM 1331 C LYS A 89 5.776 -5.221 -6.116 1.00 0.00 C ATOM 1332 O LYS A 89 6.151 -5.346 -4.943 1.00 0.00 O ATOM 1333 CB LYS A 89 7.284 -4.289 -7.871 1.00 0.00 C ATOM 1334 CG LYS A 89 7.749 -3.100 -8.691 1.00 0.00 C ATOM 1335 CD LYS A 89 8.751 -3.517 -9.754 1.00 0.00 C ATOM 1336 CE LYS A 89 9.949 -4.243 -9.156 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.875 -4.737 -10.209 1.00 0.00 N ATOM 0 H LYS A 89 7.304 -3.051 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 89 5.262 -3.676 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.125 -4.667 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.980 -5.087 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.890 -2.625 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.202 -2.358 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.260 -4.165 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.094 -2.635 -10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.485 -3.570 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.602 -5.083 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.573 -5.380 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.333 -5.246 -10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.367 -3.931 -10.644 1.00 0.00 H new ATOM 1351 N LEU A 90 5.066 -6.138 -6.749 1.00 0.00 N ATOM 1352 CA LEU A 90 4.652 -7.369 -6.100 1.00 0.00 C ATOM 1353 C LEU A 90 5.450 -8.539 -6.647 1.00 0.00 C ATOM 1354 O LEU A 90 5.843 -8.546 -7.814 1.00 0.00 O ATOM 1355 CB LEU A 90 3.158 -7.621 -6.328 1.00 0.00 C ATOM 1356 CG LEU A 90 2.220 -6.473 -5.942 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.773 -6.873 -6.184 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.423 -6.070 -4.489 1.00 0.00 C ATOM 0 H LEU A 90 4.762 -6.052 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 90 4.836 -7.271 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.005 -7.851 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.868 -8.507 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 90 2.457 -5.613 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.116 -6.049 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.632 -7.109 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.532 -7.748 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.745 -5.253 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.216 -6.923 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.453 -5.745 -4.342 1.00 0.00 H new ATOM 1370 N VAL A 91 5.692 -9.521 -5.800 1.00 0.00 N ATOM 1371 CA VAL A 91 6.359 -10.740 -6.216 1.00 0.00 C ATOM 1372 C VAL A 91 5.315 -11.816 -6.465 1.00 0.00 C ATOM 1373 O VAL A 91 4.786 -12.412 -5.525 1.00 0.00 O ATOM 1374 CB VAL A 91 7.376 -11.231 -5.158 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.120 -12.461 -5.659 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.359 -10.125 -4.796 1.00 0.00 C ATOM 0 H VAL A 91 5.435 -9.498 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 91 6.914 -10.530 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 91 6.823 -11.504 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.830 -12.791 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.407 -13.261 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.656 -12.214 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.064 -10.494 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.903 -9.816 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.814 -9.273 -4.390 1.00 0.00 H new ATOM 1386 N VAL A 92 4.987 -12.038 -7.725 1.00 0.00 N ATOM 1387 CA VAL A 92 3.938 -12.982 -8.078 1.00 0.00 C ATOM 1388 C VAL A 92 4.495 -14.123 -8.909 1.00 0.00 C ATOM 1389 O VAL A 92 5.534 -13.988 -9.554 1.00 0.00 O ATOM 1390 CB VAL A 92 2.792 -12.300 -8.859 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.177 -11.175 -8.041 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.292 -11.782 -10.200 1.00 0.00 C ATOM 0 H VAL A 92 5.430 -11.579 -8.521 1.00 0.00 H new ATOM 0 HA VAL A 92 3.538 -13.373 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 92 2.017 -13.043 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.373 -10.709 -8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.777 -11.578 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.940 -10.430 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.471 -11.305 -10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.088 -11.056 -10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.676 -12.614 -10.791 1.00 0.00 H new ATOM 1402 N GLU A 93 3.805 -15.247 -8.882 1.00 0.00 N ATOM 1403 CA GLU A 93 4.184 -16.391 -9.684 1.00 0.00 C ATOM 1404 C GLU A 93 2.942 -17.024 -10.266 1.00 0.00 C ATOM 1405 O GLU A 93 1.841 -16.865 -9.726 1.00 0.00 O ATOM 1406 CB GLU A 93 4.963 -17.420 -8.865 1.00 0.00 C ATOM 1407 CG GLU A 93 6.250 -16.875 -8.271 1.00 0.00 C ATOM 1408 CD GLU A 93 7.008 -17.916 -7.485 1.00 0.00 C ATOM 1409 OE1 GLU A 93 6.765 -18.035 -6.270 1.00 0.00 O ATOM 1410 OE2 GLU A 93 7.861 -18.611 -8.076 1.00 0.00 O ATOM 0 H GLU A 93 2.974 -15.391 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 93 4.838 -16.047 -10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.328 -17.787 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.199 -18.274 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.884 -16.496 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.018 -16.031 -7.621 1.00 0.00 H new ATOM 1418 N LYS A 94 3.122 -17.746 -11.353 1.00 0.00 N ATOM 1419 CA LYS A 94 2.005 -18.320 -12.077 1.00 0.00 C ATOM 1420 C LYS A 94 1.370 -19.435 -11.267 1.00 0.00 C ATOM 1421 O LYS A 94 2.066 -20.161 -10.555 1.00 0.00 O ATOM 1422 CB LYS A 94 2.472 -18.863 -13.430 1.00 0.00 C ATOM 1423 CG LYS A 94 1.334 -19.221 -14.372 1.00 0.00 C ATOM 1424 CD LYS A 94 1.846 -19.861 -15.652 1.00 0.00 C ATOM 1425 CE LYS A 94 2.368 -21.270 -15.412 1.00 0.00 C ATOM 1426 NZ LYS A 94 1.295 -22.188 -14.936 1.00 0.00 N ATOM 0 H LYS A 94 4.036 -17.950 -11.757 1.00 0.00 H new ATOM 0 HA LYS A 94 1.264 -17.538 -12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.108 -18.119 -13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.086 -19.748 -13.264 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.649 -19.905 -13.872 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.767 -18.323 -14.616 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.043 -19.892 -16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.641 -19.246 -16.073 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.796 -21.660 -16.335 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.172 -21.239 -14.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.559 -23.171 -15.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.174 -22.078 -13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.402 -21.957 -15.416 1.00 0.00 H new ATOM 1440 N LEU A 95 0.050 -19.535 -11.344 1.00 0.00 N ATOM 1441 CA LEU A 95 -0.665 -20.664 -10.774 1.00 0.00 C ATOM 1442 C LEU A 95 -0.046 -21.976 -11.247 1.00 0.00 C ATOM 1443 O LEU A 95 0.460 -22.069 -12.371 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.142 -20.605 -11.164 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.088 -20.056 -10.094 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -2.738 -18.618 -9.751 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.530 -20.154 -10.563 1.00 0.00 C ATOM 0 H LEU A 95 -0.547 -18.844 -11.798 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.587 -20.614 -9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.239 -19.990 -12.059 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.469 -21.610 -11.431 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.972 -20.659 -9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.424 -18.249 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.717 -18.572 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.822 -18.000 -10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.191 -19.760 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.655 -19.575 -11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.780 -21.197 -10.756 1.00 0.00 H new