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 Single : A 44 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.19) USER MOD Single : A 48 MET CE :methyl -144:sc= -0.142 (180deg=-0.762) USER MOD Single : A 52 SER OG : rot 3:sc= 1.12 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0.629 (180deg=0.554) USER MOD Single : A 65 THR OG1 : rot -130:sc= -0.219 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -69:sc= 1.08 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 81 SER OG : rot 180:sc= -0.998 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 1.18 (180deg=0.716) USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.986) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -2.631 -9.431 1.388 1.00 0.00 N ATOM 601 CA LEU A 40 -2.409 -9.653 -0.030 1.00 0.00 C ATOM 602 C LEU A 40 -1.458 -10.826 -0.245 1.00 0.00 C ATOM 603 O LEU A 40 -1.333 -11.342 -1.356 1.00 0.00 O ATOM 604 CB LEU A 40 -1.849 -8.390 -0.689 1.00 0.00 C ATOM 605 CG LEU A 40 -2.787 -7.181 -0.679 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.103 -5.973 -1.301 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.081 -7.498 -1.411 1.00 0.00 C ATOM 0 HA LEU A 40 -3.366 -9.892 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.923 -8.116 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.592 -8.622 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.031 -6.945 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.784 -5.122 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.206 -5.730 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.829 -6.200 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.733 -6.625 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.859 -7.762 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.580 -8.335 -0.922 1.00 0.00 H new ATOM 619 N ILE A 41 -0.796 -11.245 0.825 1.00 0.00 N ATOM 620 CA ILE A 41 0.102 -12.389 0.768 1.00 0.00 C ATOM 621 C ILE A 41 -0.699 -13.679 0.625 1.00 0.00 C ATOM 622 O ILE A 41 -1.241 -14.208 1.600 1.00 0.00 O ATOM 623 CB ILE A 41 1.000 -12.470 2.024 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.810 -11.179 2.196 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.932 -13.673 1.950 1.00 0.00 C ATOM 626 CD1 ILE A 41 2.759 -10.887 1.050 1.00 0.00 C ATOM 0 H ILE A 41 -0.865 -10.808 1.744 1.00 0.00 H new ATOM 0 HA ILE A 41 0.746 -12.260 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 41 0.352 -12.591 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.121 -10.342 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.383 -11.243 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.553 -13.708 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.342 -14.587 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.569 -13.586 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.294 -9.958 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.474 -11.704 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.192 -10.789 0.124 1.00 0.00 H new ATOM 638 N GLY A 42 -0.782 -14.162 -0.599 1.00 0.00 N ATOM 639 CA GLY A 42 -1.565 -15.344 -0.880 1.00 0.00 C ATOM 640 C GLY A 42 -2.782 -15.036 -1.726 1.00 0.00 C ATOM 641 O GLY A 42 -3.586 -15.923 -2.016 1.00 0.00 O ATOM 0 H GLY A 42 -0.318 -13.754 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.943 -16.076 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.883 -15.799 0.058 1.00 0.00 H new ATOM 645 N ARG A 43 -2.918 -13.775 -2.126 1.00 0.00 N ATOM 646 CA ARG A 43 -4.040 -13.357 -2.962 1.00 0.00 C ATOM 647 C ARG A 43 -3.792 -13.703 -4.422 1.00 0.00 C ATOM 648 O ARG A 43 -2.670 -14.036 -4.815 1.00 0.00 O ATOM 649 CB ARG A 43 -4.293 -11.852 -2.839 1.00 0.00 C ATOM 650 CG ARG A 43 -4.932 -11.431 -1.531 1.00 0.00 C ATOM 651 CD ARG A 43 -6.280 -12.099 -1.329 1.00 0.00 C ATOM 652 NE ARG A 43 -7.044 -11.470 -0.253 1.00 0.00 N ATOM 653 CZ ARG A 43 -7.563 -12.130 0.780 1.00 0.00 C ATOM 654 NH1 ARG A 43 -7.345 -13.431 0.929 1.00 0.00 N ATOM 655 NH2 ARG A 43 -8.288 -11.478 1.681 1.00 0.00 N ATOM 0 H ARG A 43 -2.268 -13.027 -1.886 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.920 -13.896 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.345 -11.326 -2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.934 -11.535 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.271 -11.687 -0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.056 -10.348 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.851 -12.051 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.132 -13.154 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.189 -10.461 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.775 -13.934 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.747 -13.928 1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.445 -10.475 1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.688 -11.980 2.474 1.00 0.00 H new ATOM 669 N LYS A 44 -4.848 -13.617 -5.220 1.00 0.00 N ATOM 670 CA LYS A 44 -4.777 -13.865 -6.635 1.00 0.00 C ATOM 671 C LYS A 44 -4.368 -12.608 -7.390 1.00 0.00 C ATOM 672 O LYS A 44 -4.382 -11.503 -6.843 1.00 0.00 O ATOM 673 CB LYS A 44 -6.142 -14.317 -7.138 1.00 0.00 C ATOM 674 CG LYS A 44 -6.425 -15.800 -6.985 1.00 0.00 C ATOM 675 CD LYS A 44 -7.703 -16.178 -7.715 1.00 0.00 C ATOM 676 CE LYS A 44 -7.571 -15.925 -9.209 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.875 -16.001 -9.914 1.00 0.00 N ATOM 0 H LYS A 44 -5.781 -13.370 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.030 -14.639 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.912 -13.759 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.229 -14.053 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.589 -16.378 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.515 -16.052 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.929 -17.230 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.538 -15.601 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.131 -14.941 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.886 -16.655 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.719 -15.940 -10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.340 -16.903 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.481 -15.213 -9.609 1.00 0.00 H new ATOM 691 N GLY A 45 -4.017 -12.788 -8.649 1.00 0.00 N ATOM 692 CA GLY A 45 -3.735 -11.673 -9.518 1.00 0.00 C ATOM 693 C GLY A 45 -3.823 -12.082 -10.968 1.00 0.00 C ATOM 694 O GLY A 45 -3.403 -13.172 -11.327 1.00 0.00 O ATOM 0 H GLY A 45 -3.921 -13.703 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.441 -10.866 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.739 -11.285 -9.306 1.00 0.00 H new ATOM 698 N VAL A 46 -4.404 -11.238 -11.792 1.00 0.00 N ATOM 699 CA VAL A 46 -4.494 -11.516 -13.216 1.00 0.00 C ATOM 700 C VAL A 46 -3.453 -10.691 -13.969 1.00 0.00 C ATOM 701 O VAL A 46 -3.177 -9.543 -13.604 1.00 0.00 O ATOM 702 CB VAL A 46 -5.914 -11.224 -13.768 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.265 -9.752 -13.625 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.047 -11.670 -15.217 1.00 0.00 C ATOM 0 H VAL A 46 -4.822 -10.353 -11.505 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.296 -12.577 -13.367 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.622 -11.801 -13.173 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.266 -9.577 -14.020 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.236 -9.472 -12.572 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.545 -9.151 -14.180 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.053 -11.451 -15.574 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.321 -11.136 -15.830 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.862 -12.742 -15.286 1.00 0.00 H new ATOM 714 N VAL A 47 -2.878 -11.279 -15.010 1.00 0.00 N ATOM 715 CA VAL A 47 -1.834 -10.619 -15.780 1.00 0.00 C ATOM 716 C VAL A 47 -2.434 -9.756 -16.883 1.00 0.00 C ATOM 717 O VAL A 47 -2.956 -10.269 -17.871 1.00 0.00 O ATOM 718 CB VAL A 47 -0.859 -11.645 -16.396 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.274 -10.943 -17.128 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.304 -12.567 -15.320 1.00 0.00 C ATOM 0 H VAL A 47 -3.118 -12.214 -15.340 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.279 -9.981 -15.093 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.412 -12.246 -17.118 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.948 -11.686 -17.554 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.136 -10.326 -17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.824 -10.313 -16.429 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.381 -13.283 -15.773 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.229 -11.977 -14.574 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.124 -13.102 -14.841 1.00 0.00 H new ATOM 730 N MET A 48 -2.366 -8.444 -16.695 1.00 0.00 N ATOM 731 CA MET A 48 -2.873 -7.497 -17.679 1.00 0.00 C ATOM 732 C MET A 48 -1.799 -7.163 -18.710 1.00 0.00 C ATOM 733 O MET A 48 -2.099 -6.945 -19.884 1.00 0.00 O ATOM 734 CB MET A 48 -3.348 -6.216 -16.995 1.00 0.00 C ATOM 735 CG MET A 48 -4.545 -6.418 -16.078 1.00 0.00 C ATOM 736 SD MET A 48 -6.029 -6.941 -16.957 1.00 0.00 S ATOM 737 CE MET A 48 -6.248 -5.582 -18.106 1.00 0.00 C ATOM 0 H MET A 48 -1.962 -8.010 -15.865 1.00 0.00 H new ATOM 0 HA MET A 48 -3.717 -7.961 -18.189 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.525 -5.798 -16.416 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.606 -5.482 -17.758 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.295 -7.164 -15.323 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.752 -5.487 -15.550 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.312 -5.388 -18.241 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.764 -4.689 -17.710 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.801 -5.842 -19.066 1.00 0.00 H new ATOM 747 N GLU A 49 -0.553 -7.111 -18.266 1.00 0.00 N ATOM 748 CA GLU A 49 0.565 -6.903 -19.175 1.00 0.00 C ATOM 749 C GLU A 49 1.603 -7.997 -18.980 1.00 0.00 C ATOM 750 O GLU A 49 1.882 -8.393 -17.847 1.00 0.00 O ATOM 751 CB GLU A 49 1.204 -5.528 -18.977 1.00 0.00 C ATOM 752 CG GLU A 49 2.293 -5.235 -19.996 1.00 0.00 C ATOM 753 CD GLU A 49 2.864 -3.842 -19.876 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.167 -2.880 -20.262 1.00 0.00 O ATOM 755 OE2 GLU A 49 4.020 -3.708 -19.434 1.00 0.00 O ATOM 0 H GLU A 49 -0.290 -7.209 -17.285 1.00 0.00 H new ATOM 0 HA GLU A 49 0.181 -6.946 -20.194 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.433 -4.760 -19.044 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.626 -5.469 -17.974 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.097 -5.961 -19.877 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.888 -5.369 -20.999 1.00 0.00 H new ATOM 763 N ALA A 50 2.163 -8.469 -20.089 1.00 0.00 N ATOM 764 CA ALA A 50 3.111 -9.577 -20.080 1.00 0.00 C ATOM 765 C ALA A 50 4.280 -9.322 -19.135 1.00 0.00 C ATOM 766 O ALA A 50 4.956 -8.294 -19.218 1.00 0.00 O ATOM 767 CB ALA A 50 3.625 -9.841 -21.488 1.00 0.00 C ATOM 0 H ALA A 50 1.973 -8.094 -21.018 1.00 0.00 H new ATOM 0 HA ALA A 50 2.580 -10.457 -19.716 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.332 -10.670 -21.468 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.788 -10.093 -22.139 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.123 -8.949 -21.867 1.00 0.00 H new ATOM 773 N ILE A 51 4.505 -10.268 -18.236 1.00 0.00 N ATOM 774 CA ILE A 51 5.598 -10.191 -17.282 1.00 0.00 C ATOM 775 C ILE A 51 6.861 -10.779 -17.900 1.00 0.00 C ATOM 776 O ILE A 51 6.861 -11.928 -18.345 1.00 0.00 O ATOM 777 CB ILE A 51 5.257 -10.948 -15.977 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.000 -10.352 -15.330 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.433 -10.895 -15.008 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.534 -11.087 -14.091 1.00 0.00 C ATOM 0 H ILE A 51 3.935 -11.109 -18.148 1.00 0.00 H new ATOM 0 HA ILE A 51 5.761 -9.142 -17.035 1.00 0.00 H new ATOM 0 HB ILE A 51 5.060 -11.992 -16.221 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.197 -9.312 -15.070 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.193 -10.350 -16.063 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.177 -11.432 -14.095 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.305 -11.358 -15.469 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.659 -9.856 -14.766 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.641 -10.603 -13.695 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.303 -12.121 -14.347 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.322 -11.067 -13.338 1.00 0.00 H new ATOM 792 N SER A 52 7.922 -9.992 -17.943 1.00 0.00 N ATOM 793 CA SER A 52 9.173 -10.441 -18.527 1.00 0.00 C ATOM 794 C SER A 52 10.348 -10.100 -17.620 1.00 0.00 C ATOM 795 O SER A 52 10.230 -9.251 -16.735 1.00 0.00 O ATOM 796 CB SER A 52 9.370 -9.808 -19.906 1.00 0.00 C ATOM 797 OG SER A 52 9.160 -8.406 -19.858 1.00 0.00 O ATOM 0 H SER A 52 7.942 -9.039 -17.580 1.00 0.00 H new ATOM 0 HA SER A 52 9.129 -11.524 -18.637 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.378 -10.016 -20.265 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.679 -10.258 -20.619 1.00 0.00 H new ATOM 0 HG SER A 52 8.980 -8.134 -18.934 1.00 0.00 H new ATOM 803 N PRO A 53 11.491 -10.776 -17.823 1.00 0.00 N ATOM 804 CA PRO A 53 12.729 -10.490 -17.088 1.00 0.00 C ATOM 805 C PRO A 53 13.170 -9.036 -17.249 1.00 0.00 C ATOM 806 O PRO A 53 13.809 -8.465 -16.363 1.00 0.00 O ATOM 807 CB PRO A 53 13.758 -11.429 -17.727 1.00 0.00 C ATOM 808 CG PRO A 53 12.964 -12.511 -18.373 1.00 0.00 C ATOM 809 CD PRO A 53 11.656 -11.889 -18.776 1.00 0.00 C ATOM 0 HA PRO A 53 12.607 -10.641 -16.015 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.370 -10.901 -18.459 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.437 -11.835 -16.977 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.487 -12.913 -19.241 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.805 -13.341 -17.684 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.682 -11.534 -19.806 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.835 -12.602 -18.705 1.00 0.00 H new ATOM 817 N GLN A 54 12.821 -8.445 -18.386 1.00 0.00 N ATOM 818 CA GLN A 54 13.153 -7.054 -18.663 1.00 0.00 C ATOM 819 C GLN A 54 12.087 -6.122 -18.095 1.00 0.00 C ATOM 820 O GLN A 54 12.373 -5.283 -17.243 1.00 0.00 O ATOM 821 CB GLN A 54 13.291 -6.824 -20.171 1.00 0.00 C ATOM 822 CG GLN A 54 14.411 -7.625 -20.813 1.00 0.00 C ATOM 823 CD GLN A 54 14.477 -7.428 -22.310 1.00 0.00 C ATOM 824 OE1 GLN A 54 15.155 -6.529 -22.806 1.00 0.00 O ATOM 825 NE2 GLN A 54 13.772 -8.270 -23.041 1.00 0.00 N ATOM 0 H GLN A 54 12.306 -8.911 -19.133 1.00 0.00 H new ATOM 0 HA GLN A 54 14.106 -6.833 -18.182 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.349 -7.081 -20.656 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.465 -5.763 -20.353 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.363 -7.334 -20.369 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.268 -8.683 -20.595 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.223 -9.002 -22.589 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.776 -8.189 -24.058 1.00 0.00 H new ATOM 834 N ASN A 55 10.853 -6.294 -18.550 1.00 0.00 N ATOM 835 CA ASN A 55 9.766 -5.415 -18.150 1.00 0.00 C ATOM 836 C ASN A 55 8.826 -6.124 -17.188 1.00 0.00 C ATOM 837 O ASN A 55 8.246 -7.159 -17.525 1.00 0.00 O ATOM 838 CB ASN A 55 8.996 -4.932 -19.386 1.00 0.00 C ATOM 839 CG ASN A 55 7.723 -4.177 -19.040 1.00 0.00 C ATOM 840 OD1 ASN A 55 7.751 -2.968 -18.804 1.00 0.00 O ATOM 841 ND2 ASN A 55 6.596 -4.874 -19.032 1.00 0.00 N ATOM 0 H ASN A 55 10.581 -7.035 -19.196 1.00 0.00 H new ATOM 0 HA ASN A 55 10.191 -4.552 -17.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.643 -4.287 -19.980 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.744 -5.791 -20.008 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.711 -4.411 -18.825 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.613 -5.874 -19.232 1.00 0.00 H new ATOM 848 N SER A 56 8.686 -5.573 -15.992 1.00 0.00 N ATOM 849 CA SER A 56 7.761 -6.119 -15.019 1.00 0.00 C ATOM 850 C SER A 56 6.338 -5.913 -15.514 1.00 0.00 C ATOM 851 O SER A 56 6.025 -4.884 -16.113 1.00 0.00 O ATOM 852 CB SER A 56 7.953 -5.434 -13.672 1.00 0.00 C ATOM 853 OG SER A 56 9.333 -5.240 -13.397 1.00 0.00 O ATOM 0 H SER A 56 9.200 -4.751 -15.675 1.00 0.00 H new ATOM 0 HA SER A 56 7.951 -7.185 -14.894 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.439 -4.473 -13.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.502 -6.038 -12.884 1.00 0.00 H new ATOM 0 HG SER A 56 9.434 -4.797 -12.529 1.00 0.00 H new ATOM 859 N GLY A 57 5.484 -6.876 -15.247 1.00 0.00 N ATOM 860 CA GLY A 57 4.150 -6.852 -15.809 1.00 0.00 C ATOM 861 C GLY A 57 3.159 -6.174 -14.899 1.00 0.00 C ATOM 862 O GLY A 57 3.494 -5.803 -13.773 1.00 0.00 O ATOM 0 H GLY A 57 5.685 -7.678 -14.650 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.172 -6.335 -16.769 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.822 -7.873 -16.004 1.00 0.00 H new ATOM 866 N LEU A 58 1.943 -6.014 -15.382 1.00 0.00 N ATOM 867 CA LEU A 58 0.896 -5.375 -14.608 1.00 0.00 C ATOM 868 C LEU A 58 -0.149 -6.396 -14.188 1.00 0.00 C ATOM 869 O LEU A 58 -0.757 -7.055 -15.033 1.00 0.00 O ATOM 870 CB LEU A 58 0.240 -4.256 -15.417 1.00 0.00 C ATOM 871 CG LEU A 58 1.143 -3.072 -15.746 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.390 -2.050 -16.576 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.681 -2.439 -14.472 1.00 0.00 C ATOM 0 H LEU A 58 1.654 -6.319 -16.311 1.00 0.00 H new ATOM 0 HA LEU A 58 1.345 -4.943 -13.714 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.134 -4.677 -16.350 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.625 -3.889 -14.864 1.00 0.00 H new ATOM 0 HG LEU A 58 1.990 -3.433 -16.329 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.047 -1.211 -16.803 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.056 -2.511 -17.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.475 -1.693 -16.017 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.323 -1.596 -14.728 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.849 -2.089 -13.860 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.257 -3.177 -13.914 1.00 0.00 H new ATOM 885 N VAL A 59 -0.347 -6.533 -12.887 1.00 0.00 N ATOM 886 CA VAL A 59 -1.363 -7.430 -12.359 1.00 0.00 C ATOM 887 C VAL A 59 -2.518 -6.629 -11.774 1.00 0.00 C ATOM 888 O VAL A 59 -2.313 -5.653 -11.052 1.00 0.00 O ATOM 889 CB VAL A 59 -0.794 -8.396 -11.293 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.117 -9.429 -11.939 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.051 -7.634 -10.204 1.00 0.00 C ATOM 0 H VAL A 59 0.184 -6.033 -12.175 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.723 -8.037 -13.190 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.632 -8.916 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.507 -10.099 -11.173 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.448 -10.005 -12.672 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.945 -8.924 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.338 -8.338 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.775 -7.079 -10.648 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.734 -6.939 -9.715 1.00 0.00 H new ATOM 901 N LYS A 60 -3.730 -7.030 -12.107 1.00 0.00 N ATOM 902 CA LYS A 60 -4.914 -6.313 -11.668 1.00 0.00 C ATOM 903 C LYS A 60 -5.527 -6.997 -10.455 1.00 0.00 C ATOM 904 O LYS A 60 -6.104 -8.081 -10.562 1.00 0.00 O ATOM 905 CB LYS A 60 -5.931 -6.226 -12.812 1.00 0.00 C ATOM 906 CG LYS A 60 -7.161 -5.390 -12.499 1.00 0.00 C ATOM 907 CD LYS A 60 -8.014 -5.200 -13.743 1.00 0.00 C ATOM 908 CE LYS A 60 -9.229 -4.326 -13.468 1.00 0.00 C ATOM 909 NZ LYS A 60 -10.238 -5.007 -12.612 1.00 0.00 N ATOM 0 H LYS A 60 -3.922 -7.851 -12.682 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.628 -5.301 -11.381 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.437 -5.809 -13.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.250 -7.234 -13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.749 -5.876 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.857 -4.419 -12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.412 -4.748 -14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.342 -6.172 -14.111 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.908 -3.405 -12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.691 -4.043 -14.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.081 -4.405 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.504 -5.915 -13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.834 -5.178 -11.669 1.00 0.00 H new ATOM 923 N VAL A 61 -5.380 -6.364 -9.300 1.00 0.00 N ATOM 924 CA VAL A 61 -5.935 -6.882 -8.064 1.00 0.00 C ATOM 925 C VAL A 61 -7.252 -6.180 -7.772 1.00 0.00 C ATOM 926 O VAL A 61 -7.270 -4.990 -7.444 1.00 0.00 O ATOM 927 CB VAL A 61 -4.968 -6.685 -6.876 1.00 0.00 C ATOM 928 CG1 VAL A 61 -5.543 -7.282 -5.597 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.611 -7.297 -7.186 1.00 0.00 C ATOM 0 H VAL A 61 -4.876 -5.483 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.096 -7.953 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.839 -5.614 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.842 -7.129 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.489 -6.795 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.710 -8.350 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.943 -7.149 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.728 -8.364 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.189 -6.817 -8.069 1.00 0.00 H new ATOM 939 N ASP A 62 -8.344 -6.923 -7.920 1.00 0.00 N ATOM 940 CA ASP A 62 -9.701 -6.388 -7.796 1.00 0.00 C ATOM 941 C ASP A 62 -9.971 -5.335 -8.867 1.00 0.00 C ATOM 942 O ASP A 62 -10.498 -5.647 -9.937 1.00 0.00 O ATOM 943 CB ASP A 62 -9.956 -5.807 -6.395 1.00 0.00 C ATOM 944 CG ASP A 62 -11.406 -5.414 -6.180 1.00 0.00 C ATOM 945 OD1 ASP A 62 -11.774 -4.264 -6.488 1.00 0.00 O ATOM 946 OD2 ASP A 62 -12.188 -6.264 -5.699 1.00 0.00 O ATOM 0 H ASP A 62 -8.315 -7.921 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.392 -7.218 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.667 -6.542 -5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.321 -4.933 -6.247 1.00 0.00 H new ATOM 952 N GLY A 63 -9.573 -4.106 -8.590 1.00 0.00 N ATOM 953 CA GLY A 63 -9.791 -3.024 -9.524 1.00 0.00 C ATOM 954 C GLY A 63 -8.599 -2.097 -9.641 1.00 0.00 C ATOM 955 O GLY A 63 -8.667 -1.071 -10.319 1.00 0.00 O ATOM 0 H GLY A 63 -9.099 -3.836 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.020 -3.439 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.662 -2.449 -9.210 1.00 0.00 H new ATOM 959 N GLU A 64 -7.506 -2.450 -8.981 1.00 0.00 N ATOM 960 CA GLU A 64 -6.297 -1.649 -9.031 1.00 0.00 C ATOM 961 C GLU A 64 -5.154 -2.469 -9.604 1.00 0.00 C ATOM 962 O GLU A 64 -5.038 -3.664 -9.322 1.00 0.00 O ATOM 963 CB GLU A 64 -5.941 -1.147 -7.636 1.00 0.00 C ATOM 964 CG GLU A 64 -6.965 -0.179 -7.071 1.00 0.00 C ATOM 965 CD GLU A 64 -6.579 0.356 -5.709 1.00 0.00 C ATOM 966 OE1 GLU A 64 -7.140 -0.115 -4.699 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.703 1.241 -5.638 1.00 0.00 O ATOM 0 H GLU A 64 -7.434 -3.288 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.470 -0.788 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.846 -1.999 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.968 -0.658 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.089 0.655 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.930 -0.680 -6.999 1.00 0.00 H new ATOM 975 N THR A 65 -4.321 -1.843 -10.415 1.00 0.00 N ATOM 976 CA THR A 65 -3.227 -2.551 -11.053 1.00 0.00 C ATOM 977 C THR A 65 -1.915 -2.309 -10.318 1.00 0.00 C ATOM 978 O THR A 65 -1.576 -1.182 -9.958 1.00 0.00 O ATOM 979 CB THR A 65 -3.081 -2.167 -12.547 1.00 0.00 C ATOM 980 OG1 THR A 65 -1.999 -2.898 -13.148 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.849 -0.670 -12.720 1.00 0.00 C ATOM 0 H THR A 65 -4.380 -0.851 -10.646 1.00 0.00 H new ATOM 0 HA THR A 65 -3.466 -3.613 -11.003 1.00 0.00 H new ATOM 0 HB THR A 65 -4.015 -2.427 -13.045 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.412 -2.277 -13.628 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.751 -0.437 -13.780 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.694 -0.120 -12.304 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.936 -0.381 -12.199 1.00 0.00 H new ATOM 989 N TRP A 66 -1.196 -3.390 -10.078 1.00 0.00 N ATOM 990 CA TRP A 66 0.107 -3.328 -9.445 1.00 0.00 C ATOM 991 C TRP A 66 1.155 -3.867 -10.402 1.00 0.00 C ATOM 992 O TRP A 66 0.819 -4.505 -11.403 1.00 0.00 O ATOM 993 CB TRP A 66 0.115 -4.146 -8.147 1.00 0.00 C ATOM 994 CG TRP A 66 -0.825 -3.625 -7.100 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.169 -3.850 -7.016 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.487 -2.794 -5.986 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.687 -3.208 -5.918 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.674 -2.556 -5.267 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.708 -2.234 -5.521 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.699 -1.774 -4.115 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.679 -1.459 -4.380 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.516 -1.237 -3.685 1.00 0.00 C ATOM 0 H TRP A 66 -1.499 -4.334 -10.316 1.00 0.00 H new ATOM 0 HA TRP A 66 0.333 -2.291 -9.199 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.148 -5.179 -8.377 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.127 -4.157 -7.741 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.741 -4.446 -7.712 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.667 -3.216 -5.634 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.636 -2.405 -6.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.620 -1.597 -3.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.594 -1.016 -4.016 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.504 -0.630 -2.792 1.00 0.00 H new ATOM 1013 N ARG A 67 2.417 -3.609 -10.115 1.00 0.00 N ATOM 1014 CA ARG A 67 3.489 -4.122 -10.942 1.00 0.00 C ATOM 1015 C ARG A 67 3.960 -5.436 -10.366 1.00 0.00 C ATOM 1016 O ARG A 67 3.985 -5.611 -9.151 1.00 0.00 O ATOM 1017 CB ARG A 67 4.657 -3.138 -11.034 1.00 0.00 C ATOM 1018 CG ARG A 67 4.288 -1.784 -11.623 1.00 0.00 C ATOM 1019 CD ARG A 67 3.468 -0.973 -10.640 1.00 0.00 C ATOM 1020 NE ARG A 67 3.161 0.373 -11.123 1.00 0.00 N ATOM 1021 CZ ARG A 67 3.251 1.466 -10.369 1.00 0.00 C ATOM 1022 NH1 ARG A 67 3.703 1.389 -9.123 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.897 2.645 -10.858 1.00 0.00 N ATOM 0 H ARG A 67 2.723 -3.050 -9.319 1.00 0.00 H new ATOM 0 HA ARG A 67 3.109 -4.266 -11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.070 -2.987 -10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.445 -3.583 -11.641 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.194 -1.238 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.723 -1.925 -12.545 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.536 -1.499 -10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.010 -0.900 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 67 2.861 0.480 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.984 0.488 -8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.769 2.231 -8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.554 2.718 -11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.968 3.480 -10.277 1.00 0.00 H new ATOM 1037 N ALA A 68 4.323 -6.354 -11.230 1.00 0.00 N ATOM 1038 CA ALA A 68 4.647 -7.703 -10.801 1.00 0.00 C ATOM 1039 C ALA A 68 5.965 -8.187 -11.381 1.00 0.00 C ATOM 1040 O ALA A 68 6.281 -7.932 -12.546 1.00 0.00 O ATOM 1041 CB ALA A 68 3.525 -8.648 -11.191 1.00 0.00 C ATOM 0 H ALA A 68 4.403 -6.196 -12.235 1.00 0.00 H new ATOM 0 HA ALA A 68 4.757 -7.689 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.772 -9.659 -10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.599 -8.330 -10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.398 -8.634 -12.273 1.00 0.00 H new ATOM 1047 N THR A 69 6.728 -8.886 -10.557 1.00 0.00 N ATOM 1048 CA THR A 69 7.989 -9.463 -10.981 1.00 0.00 C ATOM 1049 C THR A 69 7.951 -10.983 -10.876 1.00 0.00 C ATOM 1050 O THR A 69 7.566 -11.533 -9.842 1.00 0.00 O ATOM 1051 CB THR A 69 9.159 -8.924 -10.137 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.816 -8.968 -8.744 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.512 -7.501 -10.531 1.00 0.00 C ATOM 0 H THR A 69 6.491 -9.068 -9.582 1.00 0.00 H new ATOM 0 HA THR A 69 8.143 -9.178 -12.022 1.00 0.00 H new ATOM 0 HB THR A 69 10.028 -9.555 -10.322 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.564 -8.625 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.341 -7.149 -9.918 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.801 -7.476 -11.582 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.647 -6.856 -10.377 1.00 0.00 H new ATOM 1061 N SER A 70 8.344 -11.647 -11.949 1.00 0.00 N ATOM 1062 CA SER A 70 8.372 -13.099 -11.993 1.00 0.00 C ATOM 1063 C SER A 70 9.588 -13.561 -12.794 1.00 0.00 C ATOM 1064 O SER A 70 10.177 -12.775 -13.539 1.00 0.00 O ATOM 1065 CB SER A 70 7.090 -13.633 -12.640 1.00 0.00 C ATOM 1066 OG SER A 70 5.940 -13.188 -11.944 1.00 0.00 O ATOM 0 H SER A 70 8.652 -11.197 -12.811 1.00 0.00 H new ATOM 0 HA SER A 70 8.439 -13.486 -10.976 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.040 -13.304 -13.678 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.112 -14.723 -12.651 1.00 0.00 H new ATOM 0 HG SER A 70 5.905 -13.616 -11.063 1.00 0.00 H new ATOM 1072 N GLY A 71 9.965 -14.826 -12.634 1.00 0.00 N ATOM 1073 CA GLY A 71 11.077 -15.369 -13.391 1.00 0.00 C ATOM 1074 C GLY A 71 10.638 -15.922 -14.733 1.00 0.00 C ATOM 1075 O GLY A 71 11.444 -16.060 -15.655 1.00 0.00 O ATOM 0 H GLY A 71 9.520 -15.484 -11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.823 -14.590 -13.547 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.557 -16.159 -12.813 1.00 0.00 H new ATOM 1079 N THR A 72 9.356 -16.230 -14.843 1.00 0.00 N ATOM 1080 CA THR A 72 8.795 -16.773 -16.067 1.00 0.00 C ATOM 1081 C THR A 72 8.071 -15.693 -16.866 1.00 0.00 C ATOM 1082 O THR A 72 7.552 -14.734 -16.293 1.00 0.00 O ATOM 1083 CB THR A 72 7.824 -17.923 -15.749 1.00 0.00 C ATOM 1084 OG1 THR A 72 7.169 -17.677 -14.494 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.556 -19.255 -15.695 1.00 0.00 C ATOM 0 H THR A 72 8.679 -16.111 -14.090 1.00 0.00 H new ATOM 0 HA THR A 72 9.619 -17.156 -16.670 1.00 0.00 H new ATOM 0 HB THR A 72 7.080 -17.972 -16.544 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.551 -18.412 -14.298 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.847 -20.051 -15.469 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.026 -19.451 -16.659 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.321 -19.219 -14.919 1.00 0.00 H new ATOM 1093 N VAL A 73 8.048 -15.844 -18.184 1.00 0.00 N ATOM 1094 CA VAL A 73 7.366 -14.887 -19.042 1.00 0.00 C ATOM 1095 C VAL A 73 5.874 -15.194 -19.069 1.00 0.00 C ATOM 1096 O VAL A 73 5.431 -16.154 -19.702 1.00 0.00 O ATOM 1097 CB VAL A 73 7.928 -14.901 -20.481 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.235 -13.854 -21.341 1.00 0.00 C ATOM 1099 CG2 VAL A 73 9.432 -14.670 -20.473 1.00 0.00 C ATOM 0 H VAL A 73 8.492 -16.617 -18.679 1.00 0.00 H new ATOM 0 HA VAL A 73 7.534 -13.892 -18.630 1.00 0.00 H new ATOM 0 HB VAL A 73 7.732 -15.883 -20.911 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.646 -13.882 -22.350 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.166 -14.064 -21.379 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.395 -12.865 -20.911 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.808 -14.684 -21.496 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.649 -13.703 -20.020 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.918 -15.458 -19.898 1.00 0.00 H new ATOM 1109 N LEU A 74 5.110 -14.386 -18.357 1.00 0.00 N ATOM 1110 CA LEU A 74 3.687 -14.623 -18.196 1.00 0.00 C ATOM 1111 C LEU A 74 2.883 -13.833 -19.219 1.00 0.00 C ATOM 1112 O LEU A 74 3.109 -12.637 -19.416 1.00 0.00 O ATOM 1113 CB LEU A 74 3.267 -14.264 -16.772 1.00 0.00 C ATOM 1114 CG LEU A 74 3.953 -15.097 -15.686 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.584 -14.593 -14.303 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.583 -16.568 -15.828 1.00 0.00 C ATOM 0 H LEU A 74 5.454 -13.554 -17.878 1.00 0.00 H new ATOM 0 HA LEU A 74 3.483 -15.680 -18.368 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.483 -13.210 -16.596 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.188 -14.388 -16.681 1.00 0.00 H new ATOM 0 HG LEU A 74 5.031 -14.994 -15.812 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.084 -15.201 -13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.898 -13.554 -14.198 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.505 -14.661 -14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.080 -17.145 -15.048 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.503 -16.682 -15.732 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.901 -16.930 -16.806 1.00 0.00 H new ATOM 1128 N ASP A 75 1.950 -14.516 -19.868 1.00 0.00 N ATOM 1129 CA ASP A 75 1.163 -13.925 -20.946 1.00 0.00 C ATOM 1130 C ASP A 75 -0.015 -13.137 -20.402 1.00 0.00 C ATOM 1131 O ASP A 75 -0.419 -13.314 -19.252 1.00 0.00 O ATOM 1132 CB ASP A 75 0.631 -15.008 -21.887 1.00 0.00 C ATOM 1133 CG ASP A 75 1.722 -15.759 -22.618 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.294 -16.704 -22.036 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.996 -15.422 -23.789 1.00 0.00 O ATOM 0 H ASP A 75 1.717 -15.488 -19.666 1.00 0.00 H new ATOM 0 HA ASP A 75 1.825 -13.253 -21.492 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.035 -15.717 -21.313 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.035 -14.549 -22.617 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.573 -12.278 -21.241 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.743 -11.487 -20.864 1.00 0.00 C ATOM 1143 C VAL A 76 -2.984 -12.372 -20.799 1.00 0.00 C ATOM 1144 O VAL A 76 -3.352 -13.019 -21.780 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.994 -10.330 -21.854 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.216 -9.513 -21.447 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.769 -9.439 -21.948 1.00 0.00 C ATOM 0 H VAL A 76 -0.237 -12.108 -22.189 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.542 -11.061 -19.881 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.189 -10.762 -22.835 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.368 -8.705 -22.163 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.096 -10.156 -21.433 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.058 -9.093 -20.454 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.962 -8.628 -22.650 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.545 -9.023 -20.966 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.082 -10.025 -22.296 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.628 -12.396 -19.648 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.788 -13.240 -19.470 1.00 0.00 C ATOM 1159 C GLY A 77 -4.521 -14.369 -18.499 1.00 0.00 C ATOM 1160 O GLY A 77 -5.446 -15.062 -18.074 1.00 0.00 O ATOM 0 H GLY A 77 -3.369 -11.845 -18.830 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.622 -12.639 -19.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.088 -13.653 -20.433 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.249 -14.565 -18.161 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.870 -15.560 -17.177 1.00 0.00 C ATOM 1166 C GLU A 78 -3.249 -15.122 -15.773 1.00 0.00 C ATOM 1167 O GLU A 78 -3.570 -13.954 -15.534 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.372 -15.811 -17.236 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.973 -16.897 -18.209 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.275 -18.285 -17.689 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.317 -19.035 -17.401 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -2.461 -18.632 -17.551 1.00 0.00 O ATOM 0 H GLU A 78 -2.467 -14.044 -18.558 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.408 -16.478 -17.412 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.869 -14.885 -17.513 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.019 -16.080 -16.241 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.497 -16.745 -19.152 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.093 -16.816 -18.420 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.183 -16.060 -14.849 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.477 -15.776 -13.455 1.00 0.00 C ATOM 1182 C GLU A 79 -2.301 -16.168 -12.581 1.00 0.00 C ATOM 1183 O GLU A 79 -1.643 -17.184 -12.819 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.743 -16.502 -12.991 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.998 -16.091 -13.745 1.00 0.00 C ATOM 1186 CD GLU A 79 -7.267 -16.447 -12.996 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.848 -15.552 -12.348 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.687 -17.621 -13.037 1.00 0.00 O ATOM 0 H GLU A 79 -2.928 -17.029 -15.038 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.651 -14.704 -13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.597 -17.576 -13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.891 -16.312 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.975 -15.016 -13.924 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.007 -16.577 -14.721 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.033 -15.353 -11.579 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.920 -15.594 -10.677 1.00 0.00 C ATOM 1198 C VAL A 80 -1.351 -15.460 -9.226 1.00 0.00 C ATOM 1199 O VAL A 80 -2.507 -15.154 -8.929 1.00 0.00 O ATOM 1200 CB VAL A 80 0.247 -14.615 -10.944 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.783 -14.789 -12.354 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.189 -13.175 -10.712 1.00 0.00 C ATOM 0 H VAL A 80 -2.573 -14.514 -11.367 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.581 -16.613 -10.862 1.00 0.00 H new ATOM 0 HB VAL A 80 1.048 -14.846 -10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.603 -14.091 -12.520 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.144 -15.810 -12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.013 -14.592 -13.073 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.649 -12.505 -10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.012 -12.931 -11.384 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.517 -13.056 -9.679 1.00 0.00 H new ATOM 1212 N SER A 81 -0.422 -15.727 -8.331 1.00 0.00 N ATOM 1213 CA SER A 81 -0.644 -15.511 -6.912 1.00 0.00 C ATOM 1214 C SER A 81 0.520 -14.735 -6.312 1.00 0.00 C ATOM 1215 O SER A 81 1.679 -14.956 -6.674 1.00 0.00 O ATOM 1216 CB SER A 81 -0.833 -16.844 -6.194 1.00 0.00 C ATOM 1217 OG SER A 81 -2.015 -17.484 -6.642 1.00 0.00 O ATOM 0 H SER A 81 0.500 -16.096 -8.561 1.00 0.00 H new ATOM 0 HA SER A 81 -1.553 -14.924 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.028 -17.487 -6.376 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.886 -16.680 -5.118 1.00 0.00 H new ATOM 0 HG SER A 81 -2.122 -18.338 -6.174 1.00 0.00 H new ATOM 1223 N VAL A 82 0.202 -13.817 -5.410 1.00 0.00 N ATOM 1224 CA VAL A 82 1.211 -12.957 -4.806 1.00 0.00 C ATOM 1225 C VAL A 82 1.926 -13.674 -3.671 1.00 0.00 C ATOM 1226 O VAL A 82 1.293 -14.112 -2.708 1.00 0.00 O ATOM 1227 CB VAL A 82 0.593 -11.648 -4.269 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.672 -10.706 -3.755 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.248 -10.970 -5.340 1.00 0.00 C ATOM 0 H VAL A 82 -0.748 -13.648 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 82 1.928 -12.711 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.059 -11.902 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.210 -9.792 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.222 -11.189 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.358 -10.461 -4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.674 -10.050 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.379 -10.736 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.052 -11.638 -5.648 1.00 0.00 H new ATOM 1239 N LYS A 83 3.238 -13.801 -3.800 1.00 0.00 N ATOM 1240 CA LYS A 83 4.063 -14.417 -2.787 1.00 0.00 C ATOM 1241 C LYS A 83 4.567 -13.375 -1.797 1.00 0.00 C ATOM 1242 O LYS A 83 4.450 -13.552 -0.585 1.00 0.00 O ATOM 1243 CB LYS A 83 5.241 -15.120 -3.456 1.00 0.00 C ATOM 1244 CG LYS A 83 4.863 -16.384 -4.184 1.00 0.00 C ATOM 1245 CD LYS A 83 4.496 -17.455 -3.191 1.00 0.00 C ATOM 1246 CE LYS A 83 4.005 -18.714 -3.878 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.744 -19.814 -2.910 1.00 0.00 N ATOM 0 H LYS A 83 3.757 -13.476 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 83 3.467 -15.146 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.709 -14.433 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.988 -15.358 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.024 -16.192 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.694 -16.720 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.363 -17.692 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.722 -17.080 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.091 -18.493 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.746 -19.041 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.410 -20.655 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.621 -20.044 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.018 -19.512 -2.229 1.00 0.00 H new ATOM 1261 N ALA A 84 5.106 -12.281 -2.320 1.00 0.00 N ATOM 1262 CA ALA A 84 5.684 -11.242 -1.479 1.00 0.00 C ATOM 1263 C ALA A 84 5.404 -9.858 -2.054 1.00 0.00 C ATOM 1264 O ALA A 84 4.997 -9.733 -3.209 1.00 0.00 O ATOM 1265 CB ALA A 84 7.181 -11.460 -1.335 1.00 0.00 C ATOM 0 H ALA A 84 5.155 -12.091 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 84 5.221 -11.300 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.604 -10.678 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.365 -12.433 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.650 -11.426 -2.318 1.00 0.00 H new ATOM 1271 N ILE A 85 5.622 -8.826 -1.253 1.00 0.00 N ATOM 1272 CA ILE A 85 5.389 -7.452 -1.686 1.00 0.00 C ATOM 1273 C ILE A 85 6.607 -6.591 -1.388 1.00 0.00 C ATOM 1274 O ILE A 85 7.087 -6.561 -0.255 1.00 0.00 O ATOM 1275 CB ILE A 85 4.171 -6.833 -0.971 1.00 0.00 C ATOM 1276 CG1 ILE A 85 2.940 -7.729 -1.131 1.00 0.00 C ATOM 1277 CG2 ILE A 85 3.890 -5.433 -1.506 1.00 0.00 C ATOM 1278 CD1 ILE A 85 1.697 -7.196 -0.452 1.00 0.00 C ATOM 0 H ILE A 85 5.961 -8.912 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 85 5.198 -7.481 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 85 4.401 -6.754 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.734 -7.859 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.167 -8.716 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.027 -5.013 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.759 -4.798 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.682 -5.487 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.870 -7.888 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.882 -7.093 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.442 -6.223 -0.871 1.00 0.00 H new ATOM 1290 N GLU A 86 7.105 -5.896 -2.399 1.00 0.00 N ATOM 1291 CA GLU A 86 8.236 -5.013 -2.228 1.00 0.00 C ATOM 1292 C GLU A 86 7.946 -3.629 -2.814 1.00 0.00 C ATOM 1293 O GLU A 86 8.100 -3.395 -4.015 1.00 0.00 O ATOM 1294 CB GLU A 86 9.488 -5.617 -2.861 1.00 0.00 C ATOM 1295 CG GLU A 86 9.299 -6.110 -4.288 1.00 0.00 C ATOM 1296 CD GLU A 86 10.608 -6.502 -4.934 1.00 0.00 C ATOM 1297 OE1 GLU A 86 11.409 -5.599 -5.259 1.00 0.00 O ATOM 1298 OE2 GLU A 86 10.848 -7.710 -5.122 1.00 0.00 O ATOM 0 H GLU A 86 6.737 -5.931 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 86 8.414 -4.894 -1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.282 -4.870 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.826 -6.450 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.625 -6.966 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.823 -5.329 -4.881 1.00 0.00 H new ATOM 1306 N GLY A 87 7.504 -2.719 -1.960 1.00 0.00 N ATOM 1307 CA GLY A 87 7.245 -1.360 -2.393 1.00 0.00 C ATOM 1308 C GLY A 87 6.064 -1.257 -3.338 1.00 0.00 C ATOM 1309 O GLY A 87 4.915 -1.421 -2.933 1.00 0.00 O ATOM 0 H GLY A 87 7.319 -2.897 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.061 -0.735 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.134 -0.965 -2.886 1.00 0.00 H new ATOM 1313 N VAL A 88 6.356 -0.983 -4.600 1.00 0.00 N ATOM 1314 CA VAL A 88 5.321 -0.837 -5.616 1.00 0.00 C ATOM 1315 C VAL A 88 5.267 -2.061 -6.528 1.00 0.00 C ATOM 1316 O VAL A 88 4.491 -2.101 -7.487 1.00 0.00 O ATOM 1317 CB VAL A 88 5.544 0.428 -6.476 1.00 0.00 C ATOM 1318 CG1 VAL A 88 5.441 1.681 -5.618 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.890 0.373 -7.193 1.00 0.00 C ATOM 0 H VAL A 88 7.306 -0.856 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 88 4.373 -0.741 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 88 4.762 0.464 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.601 2.562 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.451 1.731 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.198 1.648 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.021 1.275 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.692 0.305 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.920 -0.501 -7.844 1.00 0.00 H new ATOM 1329 N LYS A 89 6.102 -3.052 -6.234 1.00 0.00 N ATOM 1330 CA LYS A 89 6.142 -4.273 -7.021 1.00 0.00 C ATOM 1331 C LYS A 89 5.704 -5.461 -6.180 1.00 0.00 C ATOM 1332 O LYS A 89 5.997 -5.530 -4.984 1.00 0.00 O ATOM 1333 CB LYS A 89 7.548 -4.545 -7.559 1.00 0.00 C ATOM 1334 CG LYS A 89 8.154 -3.397 -8.351 1.00 0.00 C ATOM 1335 CD LYS A 89 9.418 -3.832 -9.082 1.00 0.00 C ATOM 1336 CE LYS A 89 10.391 -4.552 -8.159 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.952 -3.658 -7.112 1.00 0.00 N ATOM 0 H LYS A 89 6.760 -3.031 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 89 5.460 -4.138 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.205 -4.778 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.515 -5.430 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.425 -3.025 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.387 -2.572 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.150 -4.489 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.906 -2.958 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.882 -5.389 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.206 -4.969 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.383 -4.232 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.675 -3.040 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.191 -3.075 -6.709 1.00 0.00 H new ATOM 1351 N LEU A 90 4.993 -6.384 -6.803 1.00 0.00 N ATOM 1352 CA LEU A 90 4.604 -7.613 -6.143 1.00 0.00 C ATOM 1353 C LEU A 90 5.426 -8.770 -6.688 1.00 0.00 C ATOM 1354 O LEU A 90 5.698 -8.846 -7.887 1.00 0.00 O ATOM 1355 CB LEU A 90 3.118 -7.915 -6.357 1.00 0.00 C ATOM 1356 CG LEU A 90 2.145 -6.773 -6.063 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.714 -7.225 -6.315 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.303 -6.286 -4.632 1.00 0.00 C ATOM 0 H LEU A 90 4.673 -6.303 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 90 4.784 -7.490 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.978 -8.226 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.848 -8.765 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 90 2.374 -5.944 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.030 -6.403 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.606 -7.527 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.480 -8.069 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.601 -5.473 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.100 -7.107 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.321 -5.928 -4.480 1.00 0.00 H new ATOM 1370 N VAL A 91 5.811 -9.664 -5.804 1.00 0.00 N ATOM 1371 CA VAL A 91 6.507 -10.874 -6.200 1.00 0.00 C ATOM 1372 C VAL A 91 5.478 -11.962 -6.422 1.00 0.00 C ATOM 1373 O VAL A 91 4.887 -12.467 -5.468 1.00 0.00 O ATOM 1374 CB VAL A 91 7.526 -11.335 -5.139 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.280 -12.569 -5.616 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.494 -10.212 -4.807 1.00 0.00 C ATOM 0 H VAL A 91 5.654 -9.577 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 91 7.066 -10.668 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 91 6.981 -11.599 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.994 -12.877 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.574 -13.378 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.813 -12.336 -6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.206 -10.555 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.031 -9.916 -5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.940 -9.358 -4.418 1.00 0.00 H new ATOM 1386 N VAL A 92 5.243 -12.304 -7.674 1.00 0.00 N ATOM 1387 CA VAL A 92 4.162 -13.217 -8.012 1.00 0.00 C ATOM 1388 C VAL A 92 4.668 -14.363 -8.870 1.00 0.00 C ATOM 1389 O VAL A 92 5.772 -14.304 -9.414 1.00 0.00 O ATOM 1390 CB VAL A 92 3.023 -12.499 -8.770 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.453 -11.352 -7.953 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.501 -12.004 -10.124 1.00 0.00 C ATOM 0 H VAL A 92 5.781 -11.967 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 92 3.774 -13.603 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 92 2.226 -13.225 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.654 -10.868 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.055 -11.737 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.240 -10.628 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.681 -11.502 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.325 -11.304 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.840 -12.850 -10.722 1.00 0.00 H new ATOM 1402 N GLU A 93 3.855 -15.396 -8.992 1.00 0.00 N ATOM 1403 CA GLU A 93 4.168 -16.508 -9.871 1.00 0.00 C ATOM 1404 C GLU A 93 2.889 -17.154 -10.354 1.00 0.00 C ATOM 1405 O GLU A 93 1.815 -16.918 -9.791 1.00 0.00 O ATOM 1406 CB GLU A 93 5.076 -17.543 -9.193 1.00 0.00 C ATOM 1407 CG GLU A 93 4.583 -18.029 -7.839 1.00 0.00 C ATOM 1408 CD GLU A 93 5.499 -19.079 -7.243 1.00 0.00 C ATOM 1409 OE1 GLU A 93 5.093 -20.257 -7.163 1.00 0.00 O ATOM 1410 OE2 GLU A 93 6.636 -18.736 -6.861 1.00 0.00 O ATOM 0 H GLU A 93 2.971 -15.488 -8.492 1.00 0.00 H new ATOM 0 HA GLU A 93 4.719 -16.114 -10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.183 -18.402 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.069 -17.110 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.509 -17.183 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.580 -18.442 -7.946 1.00 0.00 H new ATOM 1418 N LYS A 94 3.012 -17.963 -11.393 1.00 0.00 N ATOM 1419 CA LYS A 94 1.865 -18.566 -12.055 1.00 0.00 C ATOM 1420 C LYS A 94 1.000 -19.343 -11.076 1.00 0.00 C ATOM 1421 O LYS A 94 1.491 -20.156 -10.293 1.00 0.00 O ATOM 1422 CB LYS A 94 2.339 -19.478 -13.180 1.00 0.00 C ATOM 1423 CG LYS A 94 1.223 -20.197 -13.916 1.00 0.00 C ATOM 1424 CD LYS A 94 1.767 -20.984 -15.096 1.00 0.00 C ATOM 1425 CE LYS A 94 0.730 -21.933 -15.671 1.00 0.00 C ATOM 1426 NZ LYS A 94 -0.522 -21.237 -16.049 1.00 0.00 N ATOM 0 H LYS A 94 3.910 -18.221 -11.802 1.00 0.00 H new ATOM 0 HA LYS A 94 1.254 -17.765 -12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.908 -18.885 -13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.022 -20.220 -12.767 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.707 -20.871 -13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.487 -19.473 -14.266 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.097 -20.293 -15.872 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.643 -21.551 -14.781 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.144 -22.432 -16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.505 -22.708 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.020 -21.789 -16.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.131 -21.138 -15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.295 -20.294 -16.425 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.288 -19.066 -11.133 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.270 -19.706 -10.273 1.00 0.00 C ATOM 1442 C LEU A 95 -1.409 -21.186 -10.624 1.00 0.00 C ATOM 1443 O LEU A 95 -1.216 -21.580 -11.778 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.618 -18.991 -10.420 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.800 -19.635 -9.701 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.619 -19.583 -8.196 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -5.098 -18.957 -10.104 1.00 0.00 C ATOM 0 H LEU A 95 -0.687 -18.387 -11.781 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.937 -19.636 -9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.507 -17.971 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.857 -18.924 -11.481 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.846 -20.683 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.476 -20.049 -7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.710 -20.118 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.540 -18.544 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.932 -19.428 -9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.054 -17.901 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.241 -19.055 -11.180 1.00 0.00 H new