USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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 60 LYS NZ :NH3+ 163:sc= 1.08 (180deg=-0.376) USER MOD Set 1.2: A 65 THR OG1 : rot 170:sc= 0.496 USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.21) USER MOD Single : A 48 MET CE :methyl 155:sc= -0.291 (180deg=-1.11) USER MOD Single : A 52 SER OG : rot 11:sc= 1.22 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 105:sc= 0.812 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= -0.472 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -4.865 -7.068 0.011 1.00 0.00 N ATOM 601 CA LEU A 40 -4.786 -7.490 -1.379 1.00 0.00 C ATOM 602 C LEU A 40 -3.673 -8.513 -1.581 1.00 0.00 C ATOM 603 O LEU A 40 -3.560 -9.129 -2.640 1.00 0.00 O ATOM 604 CB LEU A 40 -4.540 -6.280 -2.283 1.00 0.00 C ATOM 605 CG LEU A 40 -5.542 -5.130 -2.129 1.00 0.00 C ATOM 606 CD1 LEU A 40 -5.084 -4.142 -1.063 1.00 0.00 C ATOM 607 CD2 LEU A 40 -5.758 -4.430 -3.463 1.00 0.00 C ATOM 0 HA LEU A 40 -5.736 -7.956 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.539 -5.897 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.553 -6.614 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.494 -5.550 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.814 -3.337 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.993 -4.656 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.117 -3.726 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.472 -3.616 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.810 -4.028 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.147 -5.143 -4.190 1.00 0.00 H new ATOM 619 N ILE A 41 -2.857 -8.698 -0.557 1.00 0.00 N ATOM 620 CA ILE A 41 -1.717 -9.598 -0.644 1.00 0.00 C ATOM 621 C ILE A 41 -2.120 -11.004 -0.238 1.00 0.00 C ATOM 622 O ILE A 41 -2.800 -11.201 0.771 1.00 0.00 O ATOM 623 CB ILE A 41 -0.545 -9.114 0.237 1.00 0.00 C ATOM 624 CG1 ILE A 41 -0.167 -7.672 -0.121 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.663 -10.032 0.085 1.00 0.00 C ATOM 626 CD1 ILE A 41 0.200 -7.478 -1.581 1.00 0.00 C ATOM 0 H ILE A 41 -2.962 -8.236 0.346 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.382 -9.605 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.867 -9.143 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.002 -7.016 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.674 -7.362 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.476 -9.671 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.392 -11.044 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.986 -10.039 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.455 -6.433 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.056 -8.107 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.647 -7.755 -2.209 1.00 0.00 H new ATOM 638 N GLY A 42 -1.711 -11.975 -1.039 1.00 0.00 N ATOM 639 CA GLY A 42 -2.076 -13.348 -0.781 1.00 0.00 C ATOM 640 C GLY A 42 -3.299 -13.755 -1.573 1.00 0.00 C ATOM 641 O GLY A 42 -3.804 -14.873 -1.438 1.00 0.00 O ATOM 0 H GLY A 42 -1.131 -11.834 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.242 -14.001 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.270 -13.480 0.283 1.00 0.00 H new ATOM 645 N ARG A 43 -3.776 -12.833 -2.396 1.00 0.00 N ATOM 646 CA ARG A 43 -4.945 -13.068 -3.223 1.00 0.00 C ATOM 647 C ARG A 43 -4.534 -13.413 -4.647 1.00 0.00 C ATOM 648 O ARG A 43 -3.352 -13.347 -4.997 1.00 0.00 O ATOM 649 CB ARG A 43 -5.846 -11.832 -3.239 1.00 0.00 C ATOM 650 CG ARG A 43 -6.424 -11.468 -1.881 1.00 0.00 C ATOM 651 CD ARG A 43 -7.230 -12.618 -1.297 1.00 0.00 C ATOM 652 NE ARG A 43 -8.247 -13.103 -2.230 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.888 -14.261 -2.103 1.00 0.00 C ATOM 654 NH1 ARG A 43 -8.634 -15.065 -1.078 1.00 0.00 N ATOM 655 NH2 ARG A 43 -9.788 -14.615 -3.006 1.00 0.00 N ATOM 0 H ARG A 43 -3.365 -11.906 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.495 -13.908 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.275 -10.984 -3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.666 -12.002 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.616 -11.204 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.060 -10.588 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.558 -13.436 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.710 -12.292 -0.374 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.480 -12.515 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.942 -14.797 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.131 -15.951 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.988 -14.001 -3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.282 -15.502 -2.913 1.00 0.00 H new ATOM 669 N LYS A 44 -5.510 -13.783 -5.465 1.00 0.00 N ATOM 670 CA LYS A 44 -5.255 -14.080 -6.863 1.00 0.00 C ATOM 671 C LYS A 44 -5.274 -12.804 -7.692 1.00 0.00 C ATOM 672 O LYS A 44 -6.065 -11.894 -7.436 1.00 0.00 O ATOM 673 CB LYS A 44 -6.308 -15.052 -7.405 1.00 0.00 C ATOM 674 CG LYS A 44 -6.104 -15.401 -8.868 1.00 0.00 C ATOM 675 CD LYS A 44 -7.312 -16.107 -9.459 1.00 0.00 C ATOM 676 CE LYS A 44 -7.536 -17.479 -8.843 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.649 -18.207 -9.509 1.00 0.00 N ATOM 0 H LYS A 44 -6.485 -13.884 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.270 -14.540 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.287 -15.967 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.298 -14.613 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.904 -14.491 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.226 -16.039 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.200 -15.493 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.178 -16.212 -10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.621 -18.066 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.757 -17.369 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.674 -19.189 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.551 -17.740 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.501 -18.201 -10.538 1.00 0.00 H new ATOM 691 N GLY A 45 -4.410 -12.756 -8.687 1.00 0.00 N ATOM 692 CA GLY A 45 -4.399 -11.652 -9.604 1.00 0.00 C ATOM 693 C GLY A 45 -4.373 -12.128 -11.039 1.00 0.00 C ATOM 694 O GLY A 45 -4.115 -13.303 -11.305 1.00 0.00 O ATOM 0 H GLY A 45 -3.709 -13.473 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.281 -11.032 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.528 -11.025 -9.411 1.00 0.00 H new ATOM 698 N VAL A 46 -4.650 -11.224 -11.951 1.00 0.00 N ATOM 699 CA VAL A 46 -4.644 -11.536 -13.375 1.00 0.00 C ATOM 700 C VAL A 46 -3.625 -10.660 -14.100 1.00 0.00 C ATOM 701 O VAL A 46 -3.409 -9.507 -13.728 1.00 0.00 O ATOM 702 CB VAL A 46 -6.053 -11.355 -13.999 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.504 -9.905 -13.923 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.089 -11.851 -15.439 1.00 0.00 C ATOM 0 H VAL A 46 -4.885 -10.255 -11.736 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.361 -12.582 -13.490 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.748 -11.960 -13.416 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.494 -9.808 -14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.542 -9.590 -12.880 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.799 -9.276 -14.467 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.090 -11.710 -15.847 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.371 -11.288 -16.036 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.832 -12.910 -15.466 1.00 0.00 H new ATOM 714 N VAL A 47 -2.982 -11.216 -15.113 1.00 0.00 N ATOM 715 CA VAL A 47 -1.942 -10.501 -15.837 1.00 0.00 C ATOM 716 C VAL A 47 -2.534 -9.641 -16.949 1.00 0.00 C ATOM 717 O VAL A 47 -3.149 -10.158 -17.885 1.00 0.00 O ATOM 718 CB VAL A 47 -0.909 -11.474 -16.440 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.241 -10.706 -17.065 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.395 -12.438 -15.383 1.00 0.00 C ATOM 0 H VAL A 47 -3.161 -12.161 -15.454 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.441 -9.854 -15.117 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.401 -12.055 -17.220 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.961 -11.408 -17.486 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.140 -10.059 -17.855 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.729 -10.098 -16.303 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.332 -13.115 -15.831 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.079 -11.876 -14.578 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.228 -13.015 -14.981 1.00 0.00 H new ATOM 730 N MET A 48 -2.356 -8.328 -16.835 1.00 0.00 N ATOM 731 CA MET A 48 -2.792 -7.405 -17.875 1.00 0.00 C ATOM 732 C MET A 48 -1.640 -7.100 -18.821 1.00 0.00 C ATOM 733 O MET A 48 -1.831 -6.977 -20.032 1.00 0.00 O ATOM 734 CB MET A 48 -3.323 -6.101 -17.276 1.00 0.00 C ATOM 735 CG MET A 48 -4.638 -6.251 -16.539 1.00 0.00 C ATOM 736 SD MET A 48 -5.333 -4.667 -16.027 1.00 0.00 S ATOM 737 CE MET A 48 -5.537 -3.854 -17.611 1.00 0.00 C ATOM 0 H MET A 48 -1.913 -7.881 -16.033 1.00 0.00 H new ATOM 0 HA MET A 48 -3.601 -7.883 -18.427 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.578 -5.699 -16.590 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.448 -5.370 -18.075 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.353 -6.766 -17.181 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.488 -6.878 -15.660 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.324 -3.103 -17.536 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.602 -3.372 -17.896 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.810 -4.591 -18.366 1.00 0.00 H new ATOM 747 N GLU A 49 -0.445 -6.982 -18.257 1.00 0.00 N ATOM 748 CA GLU A 49 0.751 -6.733 -19.049 1.00 0.00 C ATOM 749 C GLU A 49 1.753 -7.856 -18.838 1.00 0.00 C ATOM 750 O GLU A 49 1.992 -8.273 -17.706 1.00 0.00 O ATOM 751 CB GLU A 49 1.375 -5.388 -18.675 1.00 0.00 C ATOM 752 CG GLU A 49 2.627 -5.047 -19.474 1.00 0.00 C ATOM 753 CD GLU A 49 2.358 -4.912 -20.958 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.210 -5.948 -21.641 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.305 -3.763 -21.451 1.00 0.00 O ATOM 0 H GLU A 49 -0.279 -7.055 -17.253 1.00 0.00 H new ATOM 0 HA GLU A 49 0.472 -6.698 -20.102 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.635 -4.601 -18.823 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.624 -5.396 -17.614 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.048 -4.114 -19.100 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.377 -5.822 -19.314 1.00 0.00 H new ATOM 763 N ALA A 50 2.340 -8.318 -19.932 1.00 0.00 N ATOM 764 CA ALA A 50 3.233 -9.471 -19.909 1.00 0.00 C ATOM 765 C ALA A 50 4.403 -9.272 -18.948 1.00 0.00 C ATOM 766 O ALA A 50 5.169 -8.313 -19.065 1.00 0.00 O ATOM 767 CB ALA A 50 3.747 -9.767 -21.309 1.00 0.00 C ATOM 0 H ALA A 50 2.213 -7.908 -20.857 1.00 0.00 H new ATOM 0 HA ALA A 50 2.656 -10.323 -19.549 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.412 -10.630 -21.277 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.905 -9.982 -21.968 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.292 -8.902 -21.687 1.00 0.00 H new ATOM 773 N ILE A 51 4.533 -10.195 -18.008 1.00 0.00 N ATOM 774 CA ILE A 51 5.603 -10.151 -17.023 1.00 0.00 C ATOM 775 C ILE A 51 6.807 -10.943 -17.520 1.00 0.00 C ATOM 776 O ILE A 51 6.694 -12.127 -17.844 1.00 0.00 O ATOM 777 CB ILE A 51 5.143 -10.722 -15.665 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.936 -9.947 -15.143 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.279 -10.678 -14.649 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.264 -10.607 -13.959 1.00 0.00 C ATOM 0 H ILE A 51 3.904 -10.991 -17.906 1.00 0.00 H new ATOM 0 HA ILE A 51 5.880 -9.106 -16.883 1.00 0.00 H new ATOM 0 HB ILE A 51 4.853 -11.762 -15.812 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.253 -8.944 -14.858 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.210 -9.835 -15.948 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.933 -11.085 -13.699 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.117 -11.271 -15.014 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.600 -9.646 -14.506 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.415 -10.003 -13.640 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.916 -11.600 -14.245 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.976 -10.694 -13.138 1.00 0.00 H new ATOM 792 N SER A 52 7.953 -10.290 -17.587 1.00 0.00 N ATOM 793 CA SER A 52 9.165 -10.947 -18.031 1.00 0.00 C ATOM 794 C SER A 52 10.259 -10.799 -16.980 1.00 0.00 C ATOM 795 O SER A 52 10.144 -9.975 -16.072 1.00 0.00 O ATOM 796 CB SER A 52 9.607 -10.368 -19.373 1.00 0.00 C ATOM 797 OG SER A 52 9.663 -8.952 -19.338 1.00 0.00 O ATOM 0 H SER A 52 8.068 -9.307 -17.340 1.00 0.00 H new ATOM 0 HA SER A 52 8.970 -12.011 -18.165 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.588 -10.765 -19.636 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.915 -10.686 -20.153 1.00 0.00 H new ATOM 0 HG SER A 52 9.570 -8.644 -18.412 1.00 0.00 H new ATOM 803 N PRO A 53 11.334 -11.593 -17.083 1.00 0.00 N ATOM 804 CA PRO A 53 12.428 -11.555 -16.117 1.00 0.00 C ATOM 805 C PRO A 53 13.369 -10.379 -16.363 1.00 0.00 C ATOM 806 O PRO A 53 14.290 -10.133 -15.585 1.00 0.00 O ATOM 807 CB PRO A 53 13.144 -12.887 -16.341 1.00 0.00 C ATOM 808 CG PRO A 53 12.880 -13.239 -17.765 1.00 0.00 C ATOM 809 CD PRO A 53 11.568 -12.594 -18.143 1.00 0.00 C ATOM 0 HA PRO A 53 12.074 -11.421 -15.095 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.213 -12.796 -16.150 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.764 -13.656 -15.668 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.685 -12.880 -18.407 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.829 -14.320 -17.892 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.623 -12.127 -19.126 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.762 -13.326 -18.183 1.00 0.00 H new ATOM 817 N GLN A 54 13.128 -9.657 -17.453 1.00 0.00 N ATOM 818 CA GLN A 54 13.935 -8.491 -17.787 1.00 0.00 C ATOM 819 C GLN A 54 13.143 -7.207 -17.563 1.00 0.00 C ATOM 820 O GLN A 54 13.702 -6.185 -17.166 1.00 0.00 O ATOM 821 CB GLN A 54 14.405 -8.560 -19.238 1.00 0.00 C ATOM 822 CG GLN A 54 15.180 -9.824 -19.567 1.00 0.00 C ATOM 823 CD GLN A 54 15.702 -9.833 -20.989 1.00 0.00 C ATOM 824 OE1 GLN A 54 16.007 -8.784 -21.557 1.00 0.00 O ATOM 825 NE2 GLN A 54 15.801 -11.013 -21.583 1.00 0.00 N ATOM 0 H GLN A 54 12.382 -9.859 -18.118 1.00 0.00 H new ATOM 0 HA GLN A 54 14.807 -8.487 -17.133 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.538 -8.494 -19.895 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.032 -7.694 -19.450 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.017 -9.923 -18.876 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.537 -10.690 -19.414 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.539 -11.861 -21.080 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.139 -11.074 -22.543 1.00 0.00 H new ATOM 834 N ASN A 55 11.842 -7.265 -17.824 1.00 0.00 N ATOM 835 CA ASN A 55 10.979 -6.102 -17.664 1.00 0.00 C ATOM 836 C ASN A 55 9.710 -6.483 -16.910 1.00 0.00 C ATOM 837 O ASN A 55 9.094 -7.517 -17.186 1.00 0.00 O ATOM 838 CB ASN A 55 10.643 -5.499 -19.034 1.00 0.00 C ATOM 839 CG ASN A 55 9.877 -4.191 -18.929 1.00 0.00 C ATOM 840 OD1 ASN A 55 10.469 -3.125 -18.749 1.00 0.00 O ATOM 841 ND2 ASN A 55 8.562 -4.260 -19.057 1.00 0.00 N ATOM 0 H ASN A 55 11.362 -8.105 -18.147 1.00 0.00 H new ATOM 0 HA ASN A 55 11.507 -5.349 -17.079 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.566 -5.331 -19.588 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.054 -6.215 -19.607 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.000 -3.411 -19.008 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.111 -5.163 -19.205 1.00 0.00 H new ATOM 848 N SER A 56 9.326 -5.646 -15.959 1.00 0.00 N ATOM 849 CA SER A 56 8.207 -5.942 -15.077 1.00 0.00 C ATOM 850 C SER A 56 6.877 -5.877 -15.827 1.00 0.00 C ATOM 851 O SER A 56 6.752 -5.188 -16.844 1.00 0.00 O ATOM 852 CB SER A 56 8.189 -4.951 -13.909 1.00 0.00 C ATOM 853 OG SER A 56 9.503 -4.706 -13.424 1.00 0.00 O ATOM 0 H SER A 56 9.777 -4.749 -15.777 1.00 0.00 H new ATOM 0 HA SER A 56 8.335 -6.956 -14.697 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.736 -4.013 -14.231 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.569 -5.345 -13.104 1.00 0.00 H new ATOM 0 HG SER A 56 9.464 -4.069 -12.680 1.00 0.00 H new ATOM 859 N GLY A 57 5.891 -6.597 -15.319 1.00 0.00 N ATOM 860 CA GLY A 57 4.572 -6.573 -15.914 1.00 0.00 C ATOM 861 C GLY A 57 3.564 -5.928 -14.992 1.00 0.00 C ATOM 862 O GLY A 57 3.934 -5.396 -13.943 1.00 0.00 O ATOM 0 H GLY A 57 5.981 -7.200 -14.502 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.606 -6.027 -16.857 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.257 -7.590 -16.146 1.00 0.00 H new ATOM 866 N LEU A 58 2.296 -5.967 -15.374 1.00 0.00 N ATOM 867 CA LEU A 58 1.236 -5.388 -14.563 1.00 0.00 C ATOM 868 C LEU A 58 0.157 -6.420 -14.279 1.00 0.00 C ATOM 869 O LEU A 58 -0.348 -7.074 -15.198 1.00 0.00 O ATOM 870 CB LEU A 58 0.614 -4.159 -15.240 1.00 0.00 C ATOM 871 CG LEU A 58 1.453 -2.882 -15.205 1.00 0.00 C ATOM 872 CD1 LEU A 58 2.530 -2.899 -16.282 1.00 0.00 C ATOM 873 CD2 LEU A 58 0.559 -1.657 -15.349 1.00 0.00 C ATOM 0 H LEU A 58 1.976 -6.395 -16.243 1.00 0.00 H new ATOM 0 HA LEU A 58 1.684 -5.068 -13.622 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.408 -4.407 -16.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.346 -3.953 -14.766 1.00 0.00 H new ATOM 0 HG LEU A 58 1.955 -2.832 -14.239 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.110 -1.977 -16.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.190 -3.752 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.062 -2.980 -17.263 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.171 -0.755 -15.322 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.025 -1.706 -16.298 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.159 -1.633 -14.530 1.00 0.00 H new ATOM 885 N VAL A 59 -0.185 -6.566 -13.009 1.00 0.00 N ATOM 886 CA VAL A 59 -1.215 -7.500 -12.596 1.00 0.00 C ATOM 887 C VAL A 59 -2.392 -6.759 -11.983 1.00 0.00 C ATOM 888 O VAL A 59 -2.218 -5.754 -11.287 1.00 0.00 O ATOM 889 CB VAL A 59 -0.681 -8.549 -11.593 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.316 -9.472 -12.275 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.046 -7.875 -10.382 1.00 0.00 C ATOM 0 H VAL A 59 0.241 -6.044 -12.243 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.543 -8.029 -13.491 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.524 -9.144 -11.242 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.683 -10.205 -11.557 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.172 -9.987 -13.102 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.153 -8.886 -12.656 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.321 -8.636 -9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.785 -7.249 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.789 -7.257 -9.878 1.00 0.00 H new ATOM 901 N LYS A 60 -3.588 -7.249 -12.255 1.00 0.00 N ATOM 902 CA LYS A 60 -4.792 -6.628 -11.747 1.00 0.00 C ATOM 903 C LYS A 60 -5.341 -7.434 -10.578 1.00 0.00 C ATOM 904 O LYS A 60 -5.747 -8.588 -10.736 1.00 0.00 O ATOM 905 CB LYS A 60 -5.842 -6.511 -12.852 1.00 0.00 C ATOM 906 CG LYS A 60 -6.878 -5.433 -12.591 1.00 0.00 C ATOM 907 CD LYS A 60 -7.853 -5.308 -13.748 1.00 0.00 C ATOM 908 CE LYS A 60 -8.454 -3.917 -13.817 1.00 0.00 C ATOM 909 NZ LYS A 60 -7.413 -2.890 -14.095 1.00 0.00 N ATOM 0 H LYS A 60 -3.749 -8.078 -12.827 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.547 -5.625 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.341 -6.301 -13.797 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.348 -7.470 -12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.424 -5.665 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.378 -4.478 -12.430 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.340 -5.531 -14.684 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.649 -6.045 -13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.215 -3.886 -14.596 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.952 -3.687 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.868 -2.013 -14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.873 -2.700 -13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.770 -3.239 -14.834 1.00 0.00 H new ATOM 923 N VAL A 61 -5.324 -6.827 -9.406 1.00 0.00 N ATOM 924 CA VAL A 61 -5.847 -7.454 -8.210 1.00 0.00 C ATOM 925 C VAL A 61 -7.263 -6.958 -7.947 1.00 0.00 C ATOM 926 O VAL A 61 -7.460 -5.952 -7.257 1.00 0.00 O ATOM 927 CB VAL A 61 -4.958 -7.179 -6.976 1.00 0.00 C ATOM 928 CG1 VAL A 61 -5.438 -7.984 -5.775 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.498 -7.492 -7.284 1.00 0.00 C ATOM 0 H VAL A 61 -4.949 -5.890 -9.258 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.855 -8.531 -8.377 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.036 -6.120 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.798 -7.775 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.465 -7.706 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.395 -9.048 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.889 -7.292 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.402 -8.542 -7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.158 -6.867 -8.109 1.00 0.00 H new ATOM 939 N ASP A 62 -8.230 -7.643 -8.561 1.00 0.00 N ATOM 940 CA ASP A 62 -9.661 -7.351 -8.404 1.00 0.00 C ATOM 941 C ASP A 62 -10.046 -6.022 -9.049 1.00 0.00 C ATOM 942 O ASP A 62 -10.740 -5.990 -10.068 1.00 0.00 O ATOM 943 CB ASP A 62 -10.070 -7.359 -6.928 1.00 0.00 C ATOM 944 CG ASP A 62 -11.568 -7.230 -6.749 1.00 0.00 C ATOM 945 OD1 ASP A 62 -12.268 -8.262 -6.827 1.00 0.00 O ATOM 946 OD2 ASP A 62 -12.053 -6.104 -6.516 1.00 0.00 O ATOM 0 H ASP A 62 -8.042 -8.425 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.202 -8.144 -8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.729 -8.284 -6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.572 -6.539 -6.410 1.00 0.00 H new ATOM 952 N GLY A 63 -9.600 -4.935 -8.445 1.00 0.00 N ATOM 953 CA GLY A 63 -9.885 -3.614 -8.970 1.00 0.00 C ATOM 954 C GLY A 63 -8.642 -2.751 -9.079 1.00 0.00 C ATOM 955 O GLY A 63 -8.668 -1.690 -9.703 1.00 0.00 O ATOM 0 H GLY A 63 -9.040 -4.942 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.345 -3.709 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.611 -3.119 -8.325 1.00 0.00 H new ATOM 959 N GLU A 64 -7.549 -3.212 -8.482 1.00 0.00 N ATOM 960 CA GLU A 64 -6.292 -2.476 -8.491 1.00 0.00 C ATOM 961 C GLU A 64 -5.346 -3.063 -9.528 1.00 0.00 C ATOM 962 O GLU A 64 -5.501 -4.212 -9.926 1.00 0.00 O ATOM 963 CB GLU A 64 -5.643 -2.536 -7.106 1.00 0.00 C ATOM 964 CG GLU A 64 -6.378 -1.738 -6.047 1.00 0.00 C ATOM 965 CD GLU A 64 -6.302 -0.248 -6.299 1.00 0.00 C ATOM 966 OE1 GLU A 64 -7.302 0.334 -6.767 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.238 0.347 -6.033 1.00 0.00 O ATOM 0 H GLU A 64 -7.509 -4.100 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.496 -1.436 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.585 -3.577 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.620 -2.168 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.423 -2.048 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.955 -1.961 -5.068 1.00 0.00 H new ATOM 975 N THR A 65 -4.378 -2.277 -9.963 1.00 0.00 N ATOM 976 CA THR A 65 -3.373 -2.754 -10.898 1.00 0.00 C ATOM 977 C THR A 65 -1.987 -2.352 -10.407 1.00 0.00 C ATOM 978 O THR A 65 -1.682 -1.166 -10.280 1.00 0.00 O ATOM 979 CB THR A 65 -3.605 -2.195 -12.312 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.989 -2.336 -12.678 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.736 -2.923 -13.328 1.00 0.00 C ATOM 0 H THR A 65 -4.266 -1.303 -9.683 1.00 0.00 H new ATOM 0 HA THR A 65 -3.449 -3.840 -10.951 1.00 0.00 H new ATOM 0 HB THR A 65 -3.335 -1.139 -12.309 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.161 -1.838 -13.504 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.916 -2.512 -14.321 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.686 -2.795 -13.067 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.984 -3.985 -13.324 1.00 0.00 H new ATOM 989 N TRP A 66 -1.167 -3.346 -10.123 1.00 0.00 N ATOM 990 CA TRP A 66 0.149 -3.119 -9.540 1.00 0.00 C ATOM 991 C TRP A 66 1.240 -3.645 -10.460 1.00 0.00 C ATOM 992 O TRP A 66 0.965 -4.416 -11.384 1.00 0.00 O ATOM 993 CB TRP A 66 0.262 -3.826 -8.182 1.00 0.00 C ATOM 994 CG TRP A 66 -0.713 -3.346 -7.147 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.043 -3.643 -7.068 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.426 -2.503 -6.024 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.601 -3.024 -5.977 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.630 -2.321 -5.317 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.734 -1.879 -5.549 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.707 -1.547 -4.162 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.656 -1.111 -4.402 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.557 -0.950 -3.720 1.00 0.00 C ATOM 0 H TRP A 66 -1.389 -4.328 -10.287 1.00 0.00 H new ATOM 0 HA TRP A 66 0.274 -2.045 -9.406 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.117 -4.896 -8.331 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.274 -3.691 -7.800 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.578 -4.273 -7.763 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.582 -3.079 -5.702 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.673 -1.996 -6.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.641 -1.422 -3.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.545 -0.627 -4.026 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.586 -0.343 -2.827 1.00 0.00 H new ATOM 1013 N ARG A 67 2.476 -3.238 -10.204 1.00 0.00 N ATOM 1014 CA ARG A 67 3.605 -3.778 -10.938 1.00 0.00 C ATOM 1015 C ARG A 67 3.990 -5.122 -10.362 1.00 0.00 C ATOM 1016 O ARG A 67 3.816 -5.375 -9.169 1.00 0.00 O ATOM 1017 CB ARG A 67 4.808 -2.842 -10.902 1.00 0.00 C ATOM 1018 CG ARG A 67 4.564 -1.539 -11.602 1.00 0.00 C ATOM 1019 CD ARG A 67 5.838 -0.977 -12.213 1.00 0.00 C ATOM 1020 NE ARG A 67 6.901 -0.764 -11.225 1.00 0.00 N ATOM 1021 CZ ARG A 67 7.150 0.404 -10.630 1.00 0.00 C ATOM 1022 NH1 ARG A 67 6.351 1.445 -10.835 1.00 0.00 N ATOM 1023 NH2 ARG A 67 8.194 0.525 -9.817 1.00 0.00 N ATOM 0 H ARG A 67 2.718 -2.542 -9.499 1.00 0.00 H new ATOM 0 HA ARG A 67 3.301 -3.889 -11.979 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.076 -2.645 -9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.661 -3.340 -11.362 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.818 -1.681 -12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.152 -0.819 -10.895 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.197 -1.659 -12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.612 -0.031 -12.705 1.00 0.00 H new ATOM 0 HE ARG A 67 7.488 -1.560 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.542 1.354 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.546 2.336 -10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.804 -0.275 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.385 1.418 -9.362 1.00 0.00 H new ATOM 1037 N ALA A 68 4.525 -5.975 -11.204 1.00 0.00 N ATOM 1038 CA ALA A 68 4.829 -7.338 -10.798 1.00 0.00 C ATOM 1039 C ALA A 68 6.144 -7.817 -11.383 1.00 0.00 C ATOM 1040 O ALA A 68 6.466 -7.538 -12.542 1.00 0.00 O ATOM 1041 CB ALA A 68 3.700 -8.268 -11.202 1.00 0.00 C ATOM 0 H ALA A 68 4.760 -5.756 -12.172 1.00 0.00 H new ATOM 0 HA ALA A 68 4.929 -7.348 -9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.939 -9.286 -10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.776 -7.949 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.573 -8.238 -12.284 1.00 0.00 H new ATOM 1047 N THR A 69 6.895 -8.540 -10.574 1.00 0.00 N ATOM 1048 CA THR A 69 8.159 -9.102 -10.994 1.00 0.00 C ATOM 1049 C THR A 69 8.222 -10.588 -10.662 1.00 0.00 C ATOM 1050 O THR A 69 7.775 -11.017 -9.594 1.00 0.00 O ATOM 1051 CB THR A 69 9.344 -8.375 -10.331 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.125 -8.249 -8.917 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.537 -7.001 -10.941 1.00 0.00 C ATOM 0 H THR A 69 6.644 -8.753 -9.609 1.00 0.00 H new ATOM 0 HA THR A 69 8.232 -8.971 -12.074 1.00 0.00 H new ATOM 0 HB THR A 69 10.243 -8.966 -10.503 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.886 -7.787 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.379 -6.504 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.737 -7.101 -12.008 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.634 -6.408 -10.796 1.00 0.00 H new ATOM 1061 N SER A 70 8.767 -11.367 -11.577 1.00 0.00 N ATOM 1062 CA SER A 70 8.912 -12.793 -11.369 1.00 0.00 C ATOM 1063 C SER A 70 10.106 -13.301 -12.168 1.00 0.00 C ATOM 1064 O SER A 70 10.621 -12.595 -13.037 1.00 0.00 O ATOM 1065 CB SER A 70 7.643 -13.527 -11.806 1.00 0.00 C ATOM 1066 OG SER A 70 7.623 -14.858 -11.315 1.00 0.00 O ATOM 0 H SER A 70 9.118 -11.033 -12.475 1.00 0.00 H new ATOM 0 HA SER A 70 9.075 -12.984 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.766 -12.990 -11.443 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.583 -13.538 -12.894 1.00 0.00 H new ATOM 0 HG SER A 70 6.996 -14.920 -10.564 1.00 0.00 H new ATOM 1072 N GLY A 71 10.549 -14.512 -11.867 1.00 0.00 N ATOM 1073 CA GLY A 71 11.614 -15.117 -12.643 1.00 0.00 C ATOM 1074 C GLY A 71 11.069 -15.827 -13.865 1.00 0.00 C ATOM 1075 O GLY A 71 11.779 -16.038 -14.850 1.00 0.00 O ATOM 0 H GLY A 71 10.193 -15.086 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.323 -14.349 -12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.162 -15.826 -12.022 1.00 0.00 H new ATOM 1079 N THR A 72 9.797 -16.183 -13.792 1.00 0.00 N ATOM 1080 CA THR A 72 9.127 -16.870 -14.879 1.00 0.00 C ATOM 1081 C THR A 72 8.485 -15.847 -15.812 1.00 0.00 C ATOM 1082 O THR A 72 8.416 -14.660 -15.487 1.00 0.00 O ATOM 1083 CB THR A 72 8.040 -17.822 -14.335 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.453 -18.366 -13.074 1.00 0.00 O ATOM 1085 CG2 THR A 72 7.769 -18.969 -15.298 1.00 0.00 C ATOM 0 H THR A 72 9.204 -16.004 -12.981 1.00 0.00 H new ATOM 0 HA THR A 72 9.865 -17.457 -15.425 1.00 0.00 H new ATOM 0 HB THR A 72 7.125 -17.242 -14.216 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.758 -18.968 -12.734 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.999 -19.619 -14.882 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.430 -18.569 -16.254 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.684 -19.542 -15.449 1.00 0.00 H new ATOM 1093 N VAL A 73 8.029 -16.304 -16.966 1.00 0.00 N ATOM 1094 CA VAL A 73 7.333 -15.441 -17.906 1.00 0.00 C ATOM 1095 C VAL A 73 5.828 -15.654 -17.789 1.00 0.00 C ATOM 1096 O VAL A 73 5.347 -16.790 -17.794 1.00 0.00 O ATOM 1097 CB VAL A 73 7.804 -15.682 -19.363 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.574 -17.123 -19.794 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.126 -14.711 -20.320 1.00 0.00 C ATOM 0 H VAL A 73 8.129 -17.271 -17.275 1.00 0.00 H new ATOM 0 HA VAL A 73 7.571 -14.407 -17.654 1.00 0.00 H new ATOM 0 HB VAL A 73 8.878 -15.498 -19.397 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.916 -17.255 -20.821 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.130 -17.792 -19.137 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.511 -17.356 -19.733 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.473 -14.900 -21.336 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.046 -14.849 -20.274 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.374 -13.688 -20.036 1.00 0.00 H new ATOM 1109 N LEU A 74 5.094 -14.564 -17.646 1.00 0.00 N ATOM 1110 CA LEU A 74 3.649 -14.633 -17.481 1.00 0.00 C ATOM 1111 C LEU A 74 2.958 -13.739 -18.499 1.00 0.00 C ATOM 1112 O LEU A 74 3.183 -12.527 -18.530 1.00 0.00 O ATOM 1113 CB LEU A 74 3.257 -14.213 -16.065 1.00 0.00 C ATOM 1114 CG LEU A 74 3.950 -14.983 -14.937 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.662 -14.339 -13.592 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.507 -16.436 -14.936 1.00 0.00 C ATOM 0 H LEU A 74 5.474 -13.618 -17.641 1.00 0.00 H new ATOM 0 HA LEU A 74 3.330 -15.663 -17.644 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.475 -13.152 -15.945 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.179 -14.331 -15.954 1.00 0.00 H new ATOM 0 HG LEU A 74 5.026 -14.949 -15.109 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.164 -14.901 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.028 -13.312 -13.594 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.587 -14.340 -13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.009 -16.969 -14.128 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.428 -16.487 -14.789 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.766 -16.896 -15.890 1.00 0.00 H new ATOM 1128 N ASP A 75 2.121 -14.339 -19.325 1.00 0.00 N ATOM 1129 CA ASP A 75 1.448 -13.605 -20.389 1.00 0.00 C ATOM 1130 C ASP A 75 0.077 -13.118 -19.923 1.00 0.00 C ATOM 1131 O ASP A 75 -0.331 -13.367 -18.789 1.00 0.00 O ATOM 1132 CB ASP A 75 1.323 -14.479 -21.645 1.00 0.00 C ATOM 1133 CG ASP A 75 1.126 -13.666 -22.913 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.133 -13.294 -23.551 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -0.035 -13.397 -23.281 1.00 0.00 O ATOM 0 H ASP A 75 1.889 -15.331 -19.283 1.00 0.00 H new ATOM 0 HA ASP A 75 2.048 -12.730 -20.641 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.220 -15.090 -21.747 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.483 -15.163 -21.524 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.626 -12.438 -20.809 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.876 -11.774 -20.474 1.00 0.00 C ATOM 1143 C VAL A 76 -3.012 -12.780 -20.305 1.00 0.00 C ATOM 1144 O VAL A 76 -3.132 -13.737 -21.073 1.00 0.00 O ATOM 1145 CB VAL A 76 -2.252 -10.742 -21.560 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.531 -10.004 -21.201 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -1.111 -9.758 -21.775 1.00 0.00 C ATOM 0 H VAL A 76 -0.347 -12.329 -21.784 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.728 -11.258 -19.525 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.428 -11.283 -22.490 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.769 -9.285 -21.985 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.348 -10.719 -21.104 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.395 -9.478 -20.256 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.392 -9.038 -22.543 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.903 -9.232 -20.843 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.219 -10.299 -22.093 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.833 -12.562 -19.285 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.984 -13.412 -19.058 1.00 0.00 C ATOM 1159 C GLY A 77 -4.707 -14.528 -18.075 1.00 0.00 C ATOM 1160 O GLY A 77 -5.621 -15.246 -17.670 1.00 0.00 O ATOM 0 H GLY A 77 -3.720 -11.807 -18.608 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.810 -12.805 -18.688 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.305 -13.842 -20.007 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.448 -14.679 -17.688 1.00 0.00 N ATOM 1165 CA GLU A 78 -3.063 -15.717 -16.761 1.00 0.00 C ATOM 1166 C GLU A 78 -3.431 -15.358 -15.332 1.00 0.00 C ATOM 1167 O GLU A 78 -3.845 -14.234 -15.041 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.570 -15.960 -16.838 1.00 0.00 C ATOM 1169 CG GLU A 78 -1.112 -16.510 -18.165 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.859 -17.757 -18.589 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -1.700 -18.805 -17.930 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -2.580 -17.706 -19.607 1.00 0.00 O ATOM 0 H GLU A 78 -2.678 -14.090 -18.007 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.605 -16.620 -17.043 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.048 -15.023 -16.644 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.283 -16.655 -16.048 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.236 -15.743 -18.930 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.047 -16.735 -18.109 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.233 -16.318 -14.447 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.531 -16.143 -13.031 1.00 0.00 C ATOM 1182 C GLU A 79 -2.241 -16.116 -12.234 1.00 0.00 C ATOM 1183 O GLU A 79 -1.395 -17.002 -12.385 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.416 -17.278 -12.509 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.734 -17.439 -13.248 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.597 -18.531 -12.649 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -6.244 -19.718 -12.787 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.636 -18.205 -12.033 1.00 0.00 O ATOM 0 H GLU A 79 -2.863 -17.238 -14.685 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.064 -15.200 -12.914 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.861 -18.214 -12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.625 -17.103 -11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.278 -16.495 -13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.536 -17.668 -14.295 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.086 -15.114 -11.387 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.894 -15.022 -10.562 1.00 0.00 C ATOM 1198 C VAL A 80 -1.239 -15.095 -9.081 1.00 0.00 C ATOM 1199 O VAL A 80 -2.302 -14.648 -8.648 1.00 0.00 O ATOM 1200 CB VAL A 80 -0.087 -13.731 -10.833 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.410 -13.698 -12.266 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.912 -12.492 -10.528 1.00 0.00 C ATOM 0 H VAL A 80 -2.761 -14.361 -11.253 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.274 -15.876 -10.833 1.00 0.00 H new ATOM 0 HB VAL A 80 0.776 -13.734 -10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.975 -12.781 -12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.053 -14.559 -12.448 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.441 -13.730 -12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.317 -11.601 -10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.802 -12.484 -11.157 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.209 -12.502 -9.479 1.00 0.00 H new ATOM 1212 N SER A 81 -0.344 -15.700 -8.324 1.00 0.00 N ATOM 1213 CA SER A 81 -0.455 -15.741 -6.879 1.00 0.00 C ATOM 1214 C SER A 81 0.548 -14.772 -6.267 1.00 0.00 C ATOM 1215 O SER A 81 1.750 -14.873 -6.525 1.00 0.00 O ATOM 1216 CB SER A 81 -0.189 -17.164 -6.378 1.00 0.00 C ATOM 1217 OG SER A 81 -1.016 -18.101 -7.049 1.00 0.00 O ATOM 0 H SER A 81 0.479 -16.176 -8.693 1.00 0.00 H new ATOM 0 HA SER A 81 -1.462 -15.448 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.859 -17.419 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.371 -17.216 -5.305 1.00 0.00 H new ATOM 0 HG SER A 81 -1.072 -18.925 -6.521 1.00 0.00 H new ATOM 1223 N VAL A 82 0.057 -13.822 -5.485 1.00 0.00 N ATOM 1224 CA VAL A 82 0.929 -12.843 -4.855 1.00 0.00 C ATOM 1225 C VAL A 82 1.595 -13.446 -3.628 1.00 0.00 C ATOM 1226 O VAL A 82 0.938 -13.715 -2.620 1.00 0.00 O ATOM 1227 CB VAL A 82 0.158 -11.570 -4.441 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.106 -10.519 -3.885 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.634 -11.013 -5.615 1.00 0.00 C ATOM 0 H VAL A 82 -0.934 -13.709 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 82 1.684 -12.562 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.545 -11.842 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.540 -9.632 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.619 -10.918 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.840 -10.252 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.169 -10.117 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.048 -10.762 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.349 -11.760 -5.959 1.00 0.00 H new ATOM 1239 N LYS A 83 2.898 -13.669 -3.728 1.00 0.00 N ATOM 1240 CA LYS A 83 3.658 -14.254 -2.648 1.00 0.00 C ATOM 1241 C LYS A 83 4.071 -13.202 -1.625 1.00 0.00 C ATOM 1242 O LYS A 83 3.895 -13.400 -0.426 1.00 0.00 O ATOM 1243 CB LYS A 83 4.888 -14.958 -3.212 1.00 0.00 C ATOM 1244 CG LYS A 83 4.578 -16.230 -3.963 1.00 0.00 C ATOM 1245 CD LYS A 83 3.968 -17.237 -3.029 1.00 0.00 C ATOM 1246 CE LYS A 83 3.631 -18.542 -3.732 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.035 -19.538 -2.800 1.00 0.00 N ATOM 0 H LYS A 83 3.449 -13.449 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 83 3.026 -14.980 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.412 -14.273 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.569 -15.189 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.893 -16.020 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.489 -16.634 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.659 -17.436 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.063 -16.819 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.934 -18.346 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.535 -18.958 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.820 -20.413 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.709 -19.745 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.159 -19.152 -2.394 1.00 0.00 H new ATOM 1261 N ALA A 84 4.607 -12.080 -2.097 1.00 0.00 N ATOM 1262 CA ALA A 84 5.102 -11.042 -1.197 1.00 0.00 C ATOM 1263 C ALA A 84 5.167 -9.681 -1.884 1.00 0.00 C ATOM 1264 O ALA A 84 4.844 -9.550 -3.067 1.00 0.00 O ATOM 1265 CB ALA A 84 6.471 -11.429 -0.655 1.00 0.00 C ATOM 0 H ALA A 84 4.709 -11.867 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 84 4.399 -10.957 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.831 -10.648 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.394 -12.369 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.170 -11.547 -1.483 1.00 0.00 H new ATOM 1271 N ILE A 85 5.593 -8.677 -1.128 1.00 0.00 N ATOM 1272 CA ILE A 85 5.699 -7.312 -1.628 1.00 0.00 C ATOM 1273 C ILE A 85 7.168 -6.924 -1.773 1.00 0.00 C ATOM 1274 O ILE A 85 7.982 -7.250 -0.907 1.00 0.00 O ATOM 1275 CB ILE A 85 5.015 -6.311 -0.673 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.607 -6.785 -0.317 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.967 -4.923 -1.301 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.938 -5.945 0.750 1.00 0.00 C ATOM 0 H ILE A 85 5.874 -8.785 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 85 5.200 -7.274 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 85 5.601 -6.256 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.991 -6.774 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.656 -7.819 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.482 -4.230 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.982 -4.581 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.404 -4.965 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.942 -6.339 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.533 -5.976 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.857 -4.915 0.404 1.00 0.00 H new ATOM 1290 N GLU A 86 7.501 -6.236 -2.856 1.00 0.00 N ATOM 1291 CA GLU A 86 8.875 -5.820 -3.096 1.00 0.00 C ATOM 1292 C GLU A 86 8.910 -4.361 -3.553 1.00 0.00 C ATOM 1293 O GLU A 86 9.016 -4.073 -4.749 1.00 0.00 O ATOM 1294 CB GLU A 86 9.522 -6.726 -4.145 1.00 0.00 C ATOM 1295 CG GLU A 86 10.968 -7.095 -3.849 1.00 0.00 C ATOM 1296 CD GLU A 86 11.902 -5.907 -3.890 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.058 -5.232 -2.851 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.491 -5.646 -4.962 1.00 0.00 O ATOM 0 H GLU A 86 6.840 -5.955 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 86 9.439 -5.906 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.936 -7.641 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.477 -6.229 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.024 -7.560 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.303 -7.838 -4.573 1.00 0.00 H new ATOM 1306 N GLY A 87 8.798 -3.447 -2.596 1.00 0.00 N ATOM 1307 CA GLY A 87 8.777 -2.031 -2.905 1.00 0.00 C ATOM 1308 C GLY A 87 7.483 -1.612 -3.573 1.00 0.00 C ATOM 1309 O GLY A 87 6.409 -1.712 -2.984 1.00 0.00 O ATOM 0 H GLY A 87 8.721 -3.665 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.913 -1.458 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.616 -1.790 -3.558 1.00 0.00 H new ATOM 1313 N VAL A 88 7.588 -1.138 -4.805 1.00 0.00 N ATOM 1314 CA VAL A 88 6.417 -0.776 -5.593 1.00 0.00 C ATOM 1315 C VAL A 88 6.009 -1.955 -6.483 1.00 0.00 C ATOM 1316 O VAL A 88 5.046 -1.891 -7.245 1.00 0.00 O ATOM 1317 CB VAL A 88 6.693 0.478 -6.456 1.00 0.00 C ATOM 1318 CG1 VAL A 88 5.414 1.006 -7.090 1.00 0.00 C ATOM 1319 CG2 VAL A 88 7.357 1.561 -5.621 1.00 0.00 C ATOM 0 H VAL A 88 8.477 -0.994 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 88 5.600 -0.540 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 88 7.370 0.189 -7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.642 1.887 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.979 0.236 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.704 1.274 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.544 2.436 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.702 1.837 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.302 1.188 -5.226 1.00 0.00 H new ATOM 1329 N LYS A 89 6.753 -3.046 -6.361 1.00 0.00 N ATOM 1330 CA LYS A 89 6.495 -4.246 -7.145 1.00 0.00 C ATOM 1331 C LYS A 89 5.887 -5.320 -6.258 1.00 0.00 C ATOM 1332 O LYS A 89 6.104 -5.327 -5.047 1.00 0.00 O ATOM 1333 CB LYS A 89 7.797 -4.788 -7.731 1.00 0.00 C ATOM 1334 CG LYS A 89 8.687 -3.733 -8.369 1.00 0.00 C ATOM 1335 CD LYS A 89 10.083 -4.282 -8.655 1.00 0.00 C ATOM 1336 CE LYS A 89 10.726 -4.849 -7.398 1.00 0.00 C ATOM 1337 NZ LYS A 89 12.095 -5.377 -7.636 1.00 0.00 N ATOM 0 H LYS A 89 7.545 -3.124 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 89 5.808 -3.987 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.357 -5.288 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.557 -5.544 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.234 -3.385 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.762 -2.870 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.021 -5.060 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.711 -3.489 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.770 -4.071 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.098 -5.647 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.547 -5.593 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.038 -6.244 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.659 -4.664 -8.142 1.00 0.00 H new ATOM 1351 N LEU A 90 5.131 -6.221 -6.855 1.00 0.00 N ATOM 1352 CA LEU A 90 4.670 -7.396 -6.144 1.00 0.00 C ATOM 1353 C LEU A 90 5.424 -8.617 -6.640 1.00 0.00 C ATOM 1354 O LEU A 90 5.708 -8.746 -7.835 1.00 0.00 O ATOM 1355 CB LEU A 90 3.171 -7.615 -6.327 1.00 0.00 C ATOM 1356 CG LEU A 90 2.275 -6.447 -5.919 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.812 -6.809 -6.132 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.521 -6.064 -4.464 1.00 0.00 C ATOM 0 H LEU A 90 4.825 -6.162 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 90 4.860 -7.241 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.982 -7.845 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.878 -8.492 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 90 2.519 -5.588 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.183 -5.969 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.643 -7.038 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.561 -7.680 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.873 -5.230 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.303 -6.917 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.563 -5.770 -4.336 1.00 0.00 H new ATOM 1370 N VAL A 91 5.747 -9.500 -5.719 1.00 0.00 N ATOM 1371 CA VAL A 91 6.414 -10.745 -6.054 1.00 0.00 C ATOM 1372 C VAL A 91 5.359 -11.796 -6.342 1.00 0.00 C ATOM 1373 O VAL A 91 4.683 -12.277 -5.428 1.00 0.00 O ATOM 1374 CB VAL A 91 7.335 -11.238 -4.915 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.054 -12.517 -5.317 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.336 -10.159 -4.527 1.00 0.00 C ATOM 0 H VAL A 91 5.558 -9.379 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 91 7.042 -10.572 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 91 6.713 -11.456 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.697 -12.845 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.321 -13.293 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.661 -12.330 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.974 -10.527 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.950 -9.905 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.801 -9.272 -4.188 1.00 0.00 H new ATOM 1386 N VAL A 92 5.197 -12.136 -7.608 1.00 0.00 N ATOM 1387 CA VAL A 92 4.114 -13.016 -8.010 1.00 0.00 C ATOM 1388 C VAL A 92 4.625 -14.178 -8.839 1.00 0.00 C ATOM 1389 O VAL A 92 5.733 -14.137 -9.379 1.00 0.00 O ATOM 1390 CB VAL A 92 3.034 -12.264 -8.817 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.396 -11.164 -7.984 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.618 -11.691 -10.098 1.00 0.00 C ATOM 0 H VAL A 92 5.796 -11.819 -8.370 1.00 0.00 H new ATOM 0 HA VAL A 92 3.669 -13.395 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 92 2.258 -12.981 -9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.639 -10.651 -8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.930 -11.600 -7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.161 -10.451 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.839 -11.166 -10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.421 -10.995 -9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.014 -12.500 -10.711 1.00 0.00 H new ATOM 1402 N GLU A 93 3.814 -15.212 -8.929 1.00 0.00 N ATOM 1403 CA GLU A 93 4.125 -16.356 -9.767 1.00 0.00 C ATOM 1404 C GLU A 93 2.847 -16.988 -10.287 1.00 0.00 C ATOM 1405 O GLU A 93 1.749 -16.644 -9.841 1.00 0.00 O ATOM 1406 CB GLU A 93 4.975 -17.375 -9.007 1.00 0.00 C ATOM 1407 CG GLU A 93 4.439 -17.727 -7.631 1.00 0.00 C ATOM 1408 CD GLU A 93 5.416 -18.566 -6.835 1.00 0.00 C ATOM 1409 OE1 GLU A 93 6.436 -18.012 -6.381 1.00 0.00 O ATOM 1410 OE2 GLU A 93 5.166 -19.778 -6.654 1.00 0.00 O ATOM 0 H GLU A 93 2.928 -15.285 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 93 4.709 -16.012 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.048 -18.286 -9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.986 -16.982 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.219 -16.811 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.499 -18.269 -7.737 1.00 0.00 H new ATOM 1418 N LYS A 94 2.995 -17.903 -11.231 1.00 0.00 N ATOM 1419 CA LYS A 94 1.857 -18.518 -11.896 1.00 0.00 C ATOM 1420 C LYS A 94 1.073 -19.410 -10.944 1.00 0.00 C ATOM 1421 O LYS A 94 1.648 -20.109 -10.111 1.00 0.00 O ATOM 1422 CB LYS A 94 2.327 -19.348 -13.093 1.00 0.00 C ATOM 1423 CG LYS A 94 1.197 -20.029 -13.842 1.00 0.00 C ATOM 1424 CD LYS A 94 1.723 -21.016 -14.870 1.00 0.00 C ATOM 1425 CE LYS A 94 0.599 -21.861 -15.443 1.00 0.00 C ATOM 1426 NZ LYS A 94 1.095 -22.869 -16.416 1.00 0.00 N ATOM 0 H LYS A 94 3.901 -18.239 -11.557 1.00 0.00 H new ATOM 0 HA LYS A 94 1.204 -17.715 -12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.870 -18.701 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.030 -20.105 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.552 -20.549 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.584 -19.277 -14.339 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.222 -20.476 -15.674 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.469 -21.663 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.078 -22.368 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.128 -21.213 -15.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.294 -23.423 -16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.570 -22.386 -17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.769 -23.505 -15.944 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.241 -19.367 -11.070 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.109 -20.276 -10.342 1.00 0.00 C ATOM 1442 C LEU A 95 -1.219 -21.579 -11.121 1.00 0.00 C ATOM 1443 O LEU A 95 -1.195 -21.567 -12.353 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.493 -19.646 -10.149 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.145 -19.872 -8.796 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -4.265 -18.870 -8.568 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -3.682 -21.292 -8.664 1.00 0.00 C ATOM 0 H LEU A 95 -0.733 -18.708 -11.673 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.689 -20.477 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.408 -18.572 -10.314 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.158 -20.035 -10.920 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.378 -19.728 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.720 -19.048 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.860 -17.858 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.019 -18.984 -9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.141 -21.418 -7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.426 -21.473 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.863 -22.003 -8.774 1.00 0.00 H new