USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot 91:sc= 0.908 USER MOD Set 1.2: A 72 THR OG1 : rot 75:sc= 0.0606 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.518 USER MOD Set 2.2: A 69 THR OG1 : rot -111:sc= -0.535 USER MOD Set 3.1: A 60 LYS NZ :NH3+ -135:sc= 0.217 (180deg=-0.264) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0.573 USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 1.18 (180deg=1.06) USER MOD Single : A 48 MET CE :methyl -107:sc= -0.923 (180deg=-3.7!) USER MOD Single : A 52 SER OG : rot -14:sc= 1.54 USER MOD Single : A 54 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 81 SER OG : rot 180:sc= -0.956 USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0.0617 (180deg=0.0515) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.064 -8.610 0.221 1.00 0.00 N ATOM 601 CA LEU A 40 -2.827 -9.077 -1.137 1.00 0.00 C ATOM 602 C LEU A 40 -2.091 -10.416 -1.130 1.00 0.00 C ATOM 603 O LEU A 40 -1.998 -11.091 -2.154 1.00 0.00 O ATOM 604 CB LEU A 40 -1.997 -8.044 -1.903 1.00 0.00 C ATOM 605 CG LEU A 40 -2.599 -6.641 -1.978 1.00 0.00 C ATOM 606 CD1 LEU A 40 -1.654 -5.696 -2.705 1.00 0.00 C ATOM 607 CD2 LEU A 40 -3.954 -6.680 -2.667 1.00 0.00 C ATOM 0 HA LEU A 40 -3.792 -9.211 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.015 -7.974 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.842 -8.409 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.742 -6.270 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.097 -4.701 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.706 -5.647 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.481 -6.062 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.368 -5.673 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.837 -7.070 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.629 -7.326 -2.105 1.00 0.00 H new ATOM 619 N ILE A 41 -1.588 -10.799 0.038 1.00 0.00 N ATOM 620 CA ILE A 41 -0.760 -11.991 0.167 1.00 0.00 C ATOM 621 C ILE A 41 -1.619 -13.244 0.266 1.00 0.00 C ATOM 622 O ILE A 41 -2.551 -13.313 1.073 1.00 0.00 O ATOM 623 CB ILE A 41 0.167 -11.899 1.406 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.041 -10.641 1.328 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.029 -13.147 1.530 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.931 -10.584 0.104 1.00 0.00 C ATOM 0 H ILE A 41 -1.741 -10.298 0.913 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.143 -12.054 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.457 -11.830 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.396 -9.762 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.664 -10.588 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.671 -13.060 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.388 -14.023 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.646 -13.253 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.517 -9.665 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.603 -11.442 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.315 -10.603 -0.795 1.00 0.00 H new ATOM 638 N GLY A 42 -1.311 -14.220 -0.578 1.00 0.00 N ATOM 639 CA GLY A 42 -2.023 -15.478 -0.544 1.00 0.00 C ATOM 640 C GLY A 42 -3.215 -15.497 -1.478 1.00 0.00 C ATOM 641 O GLY A 42 -3.984 -16.459 -1.494 1.00 0.00 O ATOM 0 H GLY A 42 -0.579 -14.161 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.341 -16.285 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.360 -15.673 0.474 1.00 0.00 H new ATOM 645 N ARG A 43 -3.368 -14.442 -2.261 1.00 0.00 N ATOM 646 CA ARG A 43 -4.483 -14.347 -3.188 1.00 0.00 C ATOM 647 C ARG A 43 -4.025 -14.492 -4.633 1.00 0.00 C ATOM 648 O ARG A 43 -2.826 -14.446 -4.933 1.00 0.00 O ATOM 649 CB ARG A 43 -5.233 -13.027 -3.016 1.00 0.00 C ATOM 650 CG ARG A 43 -6.099 -12.974 -1.773 1.00 0.00 C ATOM 651 CD ARG A 43 -7.210 -11.953 -1.933 1.00 0.00 C ATOM 652 NE ARG A 43 -8.004 -12.212 -3.136 1.00 0.00 N ATOM 653 CZ ARG A 43 -9.154 -11.599 -3.426 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.702 -10.762 -2.557 1.00 0.00 N ATOM 655 NH2 ARG A 43 -9.774 -11.861 -4.572 1.00 0.00 N ATOM 0 H ARG A 43 -2.736 -13.641 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.159 -15.170 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.511 -12.211 -2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.860 -12.859 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.528 -13.958 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.486 -12.719 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.857 -11.977 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.782 -10.952 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.655 -12.907 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.245 -10.584 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.581 -10.296 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.371 -12.530 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.653 -11.393 -4.795 1.00 0.00 H new ATOM 669 N LYS A 44 -4.993 -14.675 -5.520 1.00 0.00 N ATOM 670 CA LYS A 44 -4.729 -14.783 -6.939 1.00 0.00 C ATOM 671 C LYS A 44 -4.806 -13.411 -7.597 1.00 0.00 C ATOM 672 O LYS A 44 -5.622 -12.570 -7.219 1.00 0.00 O ATOM 673 CB LYS A 44 -5.743 -15.727 -7.600 1.00 0.00 C ATOM 674 CG LYS A 44 -5.559 -15.849 -9.104 1.00 0.00 C ATOM 675 CD LYS A 44 -6.659 -16.672 -9.759 1.00 0.00 C ATOM 676 CE LYS A 44 -6.589 -18.134 -9.354 1.00 0.00 C ATOM 677 NZ LYS A 44 -7.594 -18.952 -10.076 1.00 0.00 N ATOM 0 H LYS A 44 -5.979 -14.752 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.726 -15.187 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.656 -16.716 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.751 -15.369 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.542 -14.853 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.593 -16.308 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.631 -16.265 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.577 -16.591 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.591 -18.521 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.752 -18.222 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.340 -19.958 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.533 -18.801 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.615 -18.672 -11.077 1.00 0.00 H new ATOM 691 N GLY A 45 -3.947 -13.198 -8.573 1.00 0.00 N ATOM 692 CA GLY A 45 -3.994 -12.010 -9.377 1.00 0.00 C ATOM 693 C GLY A 45 -3.986 -12.370 -10.843 1.00 0.00 C ATOM 694 O GLY A 45 -3.810 -13.538 -11.199 1.00 0.00 O ATOM 0 H GLY A 45 -3.201 -13.846 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.891 -11.438 -9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.140 -11.373 -9.147 1.00 0.00 H new ATOM 698 N VAL A 46 -4.174 -11.386 -11.690 1.00 0.00 N ATOM 699 CA VAL A 46 -4.222 -11.613 -13.121 1.00 0.00 C ATOM 700 C VAL A 46 -3.188 -10.742 -13.822 1.00 0.00 C ATOM 701 O VAL A 46 -2.953 -9.599 -13.424 1.00 0.00 O ATOM 702 CB VAL A 46 -5.636 -11.328 -13.682 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.019 -9.865 -13.505 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.735 -11.748 -15.142 1.00 0.00 C ATOM 0 H VAL A 46 -4.297 -10.412 -11.413 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.991 -12.661 -13.310 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.347 -11.924 -13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.017 -9.699 -13.909 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.010 -9.612 -12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.304 -9.235 -14.034 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.738 -11.538 -15.514 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.006 -11.192 -15.731 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.532 -12.816 -15.228 1.00 0.00 H new ATOM 714 N VAL A 47 -2.574 -11.282 -14.859 1.00 0.00 N ATOM 715 CA VAL A 47 -1.538 -10.564 -15.582 1.00 0.00 C ATOM 716 C VAL A 47 -2.146 -9.698 -16.678 1.00 0.00 C ATOM 717 O VAL A 47 -2.685 -10.209 -17.660 1.00 0.00 O ATOM 718 CB VAL A 47 -0.508 -11.531 -16.201 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.614 -10.766 -16.881 1.00 0.00 C ATOM 720 CG2 VAL A 47 0.052 -12.464 -15.143 1.00 0.00 C ATOM 0 H VAL A 47 -2.774 -12.215 -15.220 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.025 -9.926 -14.862 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.018 -12.129 -16.956 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.327 -11.470 -17.309 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.201 -10.141 -17.673 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.121 -10.137 -16.149 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.777 -13.138 -15.599 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.541 -11.879 -14.364 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.759 -13.046 -14.705 1.00 0.00 H new ATOM 730 N MET A 48 -2.071 -8.390 -16.491 1.00 0.00 N ATOM 731 CA MET A 48 -2.576 -7.442 -17.476 1.00 0.00 C ATOM 732 C MET A 48 -1.473 -7.053 -18.444 1.00 0.00 C ATOM 733 O MET A 48 -1.708 -6.879 -19.639 1.00 0.00 O ATOM 734 CB MET A 48 -3.121 -6.191 -16.788 1.00 0.00 C ATOM 735 CG MET A 48 -4.344 -6.430 -15.913 1.00 0.00 C ATOM 736 SD MET A 48 -5.841 -6.805 -16.854 1.00 0.00 S ATOM 737 CE MET A 48 -5.693 -8.572 -17.123 1.00 0.00 C ATOM 0 H MET A 48 -1.663 -7.957 -15.662 1.00 0.00 H new ATOM 0 HA MET A 48 -3.385 -7.921 -18.028 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.331 -5.756 -16.175 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.374 -5.454 -17.550 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.137 -7.254 -15.231 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.521 -5.546 -15.301 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.438 -8.761 -18.166 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.910 -8.974 -16.480 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.640 -9.057 -16.887 1.00 0.00 H new ATOM 747 N GLU A 49 -0.271 -6.917 -17.912 1.00 0.00 N ATOM 748 CA GLU A 49 0.891 -6.567 -18.711 1.00 0.00 C ATOM 749 C GLU A 49 1.930 -7.671 -18.588 1.00 0.00 C ATOM 750 O GLU A 49 2.205 -8.132 -17.483 1.00 0.00 O ATOM 751 CB GLU A 49 1.457 -5.223 -18.248 1.00 0.00 C ATOM 752 CG GLU A 49 2.604 -4.704 -19.097 1.00 0.00 C ATOM 753 CD GLU A 49 3.125 -3.369 -18.613 1.00 0.00 C ATOM 754 OE1 GLU A 49 4.024 -3.356 -17.755 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.638 -2.320 -19.093 1.00 0.00 O ATOM 0 H GLU A 49 -0.073 -7.045 -16.920 1.00 0.00 H new ATOM 0 HA GLU A 49 0.607 -6.468 -19.759 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.656 -4.484 -18.250 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.798 -5.321 -17.217 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.416 -5.432 -19.089 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.272 -4.608 -20.131 1.00 0.00 H new ATOM 763 N ALA A 50 2.481 -8.090 -19.725 1.00 0.00 N ATOM 764 CA ALA A 50 3.397 -9.228 -19.780 1.00 0.00 C ATOM 765 C ALA A 50 4.547 -9.074 -18.791 1.00 0.00 C ATOM 766 O ALA A 50 5.203 -8.031 -18.736 1.00 0.00 O ATOM 767 CB ALA A 50 3.931 -9.410 -21.196 1.00 0.00 C ATOM 0 H ALA A 50 2.307 -7.653 -20.630 1.00 0.00 H new ATOM 0 HA ALA A 50 2.837 -10.119 -19.496 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.612 -10.261 -21.222 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.100 -9.589 -21.878 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.464 -8.510 -21.502 1.00 0.00 H new ATOM 773 N ILE A 51 4.777 -10.121 -18.016 1.00 0.00 N ATOM 774 CA ILE A 51 5.798 -10.111 -16.985 1.00 0.00 C ATOM 775 C ILE A 51 6.957 -11.007 -17.394 1.00 0.00 C ATOM 776 O ILE A 51 6.747 -12.101 -17.914 1.00 0.00 O ATOM 777 CB ILE A 51 5.233 -10.608 -15.635 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.994 -9.802 -15.243 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.293 -10.519 -14.547 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.310 -10.300 -13.988 1.00 0.00 C ATOM 0 H ILE A 51 4.262 -10.999 -18.084 1.00 0.00 H new ATOM 0 HA ILE A 51 6.142 -9.084 -16.866 1.00 0.00 H new ATOM 0 HB ILE A 51 4.943 -11.653 -15.748 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.281 -8.760 -15.100 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.281 -9.826 -16.067 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.877 -10.873 -13.604 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.148 -11.137 -14.821 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.614 -9.483 -14.436 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.441 -9.677 -13.776 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.991 -11.332 -14.133 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.005 -10.250 -13.150 1.00 0.00 H new ATOM 792 N SER A 52 8.172 -10.547 -17.169 1.00 0.00 N ATOM 793 CA SER A 52 9.344 -11.348 -17.466 1.00 0.00 C ATOM 794 C SER A 52 10.355 -11.263 -16.329 1.00 0.00 C ATOM 795 O SER A 52 10.245 -10.405 -15.453 1.00 0.00 O ATOM 796 CB SER A 52 9.991 -10.895 -18.782 1.00 0.00 C ATOM 797 OG SER A 52 10.219 -9.496 -18.791 1.00 0.00 O ATOM 0 H SER A 52 8.374 -9.625 -16.782 1.00 0.00 H new ATOM 0 HA SER A 52 9.026 -12.385 -17.573 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.935 -11.420 -18.925 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.346 -11.166 -19.618 1.00 0.00 H new ATOM 0 HG SER A 52 9.725 -9.079 -18.055 1.00 0.00 H new ATOM 803 N PRO A 53 11.337 -12.177 -16.320 1.00 0.00 N ATOM 804 CA PRO A 53 12.462 -12.130 -15.380 1.00 0.00 C ATOM 805 C PRO A 53 13.358 -10.916 -15.628 1.00 0.00 C ATOM 806 O PRO A 53 14.240 -10.602 -14.829 1.00 0.00 O ATOM 807 CB PRO A 53 13.241 -13.421 -15.665 1.00 0.00 C ATOM 808 CG PRO A 53 12.331 -14.279 -16.478 1.00 0.00 C ATOM 809 CD PRO A 53 11.402 -13.349 -17.203 1.00 0.00 C ATOM 0 HA PRO A 53 12.121 -12.047 -14.348 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.163 -13.209 -16.205 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.522 -13.920 -14.738 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.898 -14.887 -17.182 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.773 -14.965 -15.841 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.784 -13.088 -18.190 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.419 -13.797 -17.350 1.00 0.00 H new ATOM 817 N GLN A 54 13.121 -10.242 -16.747 1.00 0.00 N ATOM 818 CA GLN A 54 13.915 -9.086 -17.131 1.00 0.00 C ATOM 819 C GLN A 54 13.143 -7.800 -16.843 1.00 0.00 C ATOM 820 O GLN A 54 13.657 -6.889 -16.194 1.00 0.00 O ATOM 821 CB GLN A 54 14.277 -9.181 -18.618 1.00 0.00 C ATOM 822 CG GLN A 54 15.597 -8.514 -18.985 1.00 0.00 C ATOM 823 CD GLN A 54 15.551 -6.997 -18.930 1.00 0.00 C ATOM 824 OE1 GLN A 54 14.513 -6.383 -19.175 1.00 0.00 O ATOM 825 NE2 GLN A 54 16.678 -6.384 -18.605 1.00 0.00 N ATOM 0 H GLN A 54 12.380 -10.480 -17.407 1.00 0.00 H new ATOM 0 HA GLN A 54 14.835 -9.069 -16.547 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.323 -10.232 -18.902 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.478 -8.727 -19.204 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.374 -8.870 -18.308 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.883 -8.824 -19.990 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.517 -6.930 -18.409 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.707 -5.366 -18.550 1.00 0.00 H new ATOM 834 N ASN A 55 11.906 -7.731 -17.321 1.00 0.00 N ATOM 835 CA ASN A 55 11.085 -6.537 -17.154 1.00 0.00 C ATOM 836 C ASN A 55 9.783 -6.878 -16.436 1.00 0.00 C ATOM 837 O ASN A 55 9.137 -7.882 -16.743 1.00 0.00 O ATOM 838 CB ASN A 55 10.796 -5.905 -18.521 1.00 0.00 C ATOM 839 CG ASN A 55 10.084 -4.567 -18.420 1.00 0.00 C ATOM 840 OD1 ASN A 55 8.861 -4.495 -18.462 1.00 0.00 O ATOM 841 ND2 ASN A 55 10.851 -3.497 -18.287 1.00 0.00 N ATOM 0 H ASN A 55 11.449 -8.489 -17.828 1.00 0.00 H new ATOM 0 HA ASN A 55 11.632 -5.818 -16.543 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.735 -5.771 -19.058 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.187 -6.591 -19.110 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.428 -2.572 -18.215 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.866 -3.597 -18.256 1.00 0.00 H new ATOM 848 N SER A 56 9.412 -6.043 -15.475 1.00 0.00 N ATOM 849 CA SER A 56 8.221 -6.278 -14.671 1.00 0.00 C ATOM 850 C SER A 56 6.953 -5.989 -15.473 1.00 0.00 C ATOM 851 O SER A 56 6.977 -5.242 -16.449 1.00 0.00 O ATOM 852 CB SER A 56 8.252 -5.389 -13.427 1.00 0.00 C ATOM 853 OG SER A 56 9.530 -5.417 -12.807 1.00 0.00 O ATOM 0 H SER A 56 9.921 -5.193 -15.233 1.00 0.00 H new ATOM 0 HA SER A 56 8.212 -7.327 -14.374 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.001 -4.365 -13.703 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.494 -5.724 -12.719 1.00 0.00 H new ATOM 0 HG SER A 56 9.522 -4.839 -12.016 1.00 0.00 H new ATOM 859 N GLY A 57 5.852 -6.585 -15.048 1.00 0.00 N ATOM 860 CA GLY A 57 4.582 -6.355 -15.702 1.00 0.00 C ATOM 861 C GLY A 57 3.568 -5.767 -14.747 1.00 0.00 C ATOM 862 O GLY A 57 3.941 -5.178 -13.728 1.00 0.00 O ATOM 0 H GLY A 57 5.815 -7.228 -14.257 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.723 -5.680 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.203 -7.294 -16.104 1.00 0.00 H new ATOM 866 N LEU A 58 2.291 -5.941 -15.051 1.00 0.00 N ATOM 867 CA LEU A 58 1.228 -5.360 -14.237 1.00 0.00 C ATOM 868 C LEU A 58 0.147 -6.384 -13.915 1.00 0.00 C ATOM 869 O LEU A 58 -0.255 -7.175 -14.772 1.00 0.00 O ATOM 870 CB LEU A 58 0.590 -4.168 -14.955 1.00 0.00 C ATOM 871 CG LEU A 58 1.483 -2.945 -15.148 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.754 -1.882 -15.948 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.926 -2.380 -13.807 1.00 0.00 C ATOM 0 H LEU A 58 1.963 -6.479 -15.854 1.00 0.00 H new ATOM 0 HA LEU A 58 1.683 -5.027 -13.304 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.247 -4.501 -15.935 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.294 -3.863 -14.395 1.00 0.00 H new ATOM 0 HG LEU A 58 2.371 -3.256 -15.699 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.403 -1.016 -16.078 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.484 -2.283 -16.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.149 -1.582 -15.417 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.561 -1.509 -13.971 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.050 -2.086 -13.229 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.485 -3.139 -13.259 1.00 0.00 H new ATOM 885 N VAL A 59 -0.322 -6.351 -12.678 1.00 0.00 N ATOM 886 CA VAL A 59 -1.432 -7.183 -12.241 1.00 0.00 C ATOM 887 C VAL A 59 -2.554 -6.302 -11.708 1.00 0.00 C ATOM 888 O VAL A 59 -2.300 -5.271 -11.084 1.00 0.00 O ATOM 889 CB VAL A 59 -1.008 -8.201 -11.158 1.00 0.00 C ATOM 890 CG1 VAL A 59 -0.080 -9.254 -11.745 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.340 -7.501 -9.985 1.00 0.00 C ATOM 0 H VAL A 59 0.056 -5.747 -11.948 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.778 -7.750 -13.105 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.907 -8.696 -10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.207 -9.961 -10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.593 -9.785 -12.546 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.812 -8.771 -12.143 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.051 -8.239 -9.237 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.547 -6.972 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.036 -6.789 -9.542 1.00 0.00 H new ATOM 901 N LYS A 60 -3.789 -6.692 -11.962 1.00 0.00 N ATOM 902 CA LYS A 60 -4.924 -5.875 -11.572 1.00 0.00 C ATOM 903 C LYS A 60 -5.664 -6.524 -10.417 1.00 0.00 C ATOM 904 O LYS A 60 -6.098 -7.676 -10.508 1.00 0.00 O ATOM 905 CB LYS A 60 -5.853 -5.676 -12.767 1.00 0.00 C ATOM 906 CG LYS A 60 -6.648 -4.384 -12.722 1.00 0.00 C ATOM 907 CD LYS A 60 -7.461 -4.197 -13.992 1.00 0.00 C ATOM 908 CE LYS A 60 -8.121 -2.830 -14.041 1.00 0.00 C ATOM 909 NZ LYS A 60 -7.128 -1.725 -14.105 1.00 0.00 N ATOM 0 H LYS A 60 -4.032 -7.563 -12.433 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.567 -4.899 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.261 -5.694 -13.682 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.546 -6.516 -12.819 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.313 -4.393 -11.859 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.970 -3.540 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.813 -4.320 -14.860 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.225 -4.972 -14.052 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.777 -2.777 -14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.749 -2.700 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.401 -0.974 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.187 -2.088 -13.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.100 -1.339 -15.070 1.00 0.00 H new ATOM 923 N VAL A 61 -5.781 -5.793 -9.322 1.00 0.00 N ATOM 924 CA VAL A 61 -6.473 -6.284 -8.147 1.00 0.00 C ATOM 925 C VAL A 61 -7.679 -5.401 -7.860 1.00 0.00 C ATOM 926 O VAL A 61 -7.559 -4.371 -7.190 1.00 0.00 O ATOM 927 CB VAL A 61 -5.553 -6.325 -6.905 1.00 0.00 C ATOM 928 CG1 VAL A 61 -6.273 -6.961 -5.724 1.00 0.00 C ATOM 929 CG2 VAL A 61 -4.261 -7.073 -7.211 1.00 0.00 C ATOM 0 H VAL A 61 -5.402 -4.851 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.793 -7.305 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.297 -5.299 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.608 -6.980 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.163 -6.379 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.564 -7.980 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.630 -7.088 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.494 -8.095 -7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.733 -6.571 -8.022 1.00 0.00 H new ATOM 939 N ASP A 62 -8.821 -5.793 -8.422 1.00 0.00 N ATOM 940 CA ASP A 62 -10.083 -5.072 -8.247 1.00 0.00 C ATOM 941 C ASP A 62 -9.931 -3.583 -8.530 1.00 0.00 C ATOM 942 O ASP A 62 -10.015 -2.746 -7.627 1.00 0.00 O ATOM 943 CB ASP A 62 -10.654 -5.286 -6.845 1.00 0.00 C ATOM 944 CG ASP A 62 -11.335 -6.631 -6.698 1.00 0.00 C ATOM 945 OD1 ASP A 62 -12.308 -6.890 -7.441 1.00 0.00 O ATOM 946 OD2 ASP A 62 -10.920 -7.429 -5.830 1.00 0.00 O ATOM 0 H ASP A 62 -8.899 -6.621 -9.013 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.783 -5.482 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.851 -5.207 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.369 -4.494 -6.622 1.00 0.00 H new ATOM 952 N GLY A 63 -9.682 -3.264 -9.785 1.00 0.00 N ATOM 953 CA GLY A 63 -9.613 -1.881 -10.203 1.00 0.00 C ATOM 954 C GLY A 63 -8.201 -1.332 -10.220 1.00 0.00 C ATOM 955 O GLY A 63 -7.821 -0.619 -11.151 1.00 0.00 O ATOM 0 H GLY A 63 -9.525 -3.943 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.044 -1.788 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.223 -1.275 -9.534 1.00 0.00 H new ATOM 959 N GLU A 64 -7.414 -1.672 -9.210 1.00 0.00 N ATOM 960 CA GLU A 64 -6.087 -1.101 -9.069 1.00 0.00 C ATOM 961 C GLU A 64 -5.050 -1.970 -9.746 1.00 0.00 C ATOM 962 O GLU A 64 -5.023 -3.187 -9.570 1.00 0.00 O ATOM 963 CB GLU A 64 -5.734 -0.904 -7.598 1.00 0.00 C ATOM 964 CG GLU A 64 -6.588 0.147 -6.912 1.00 0.00 C ATOM 965 CD GLU A 64 -6.270 0.290 -5.441 1.00 0.00 C ATOM 966 OE1 GLU A 64 -5.174 0.781 -5.110 1.00 0.00 O ATOM 967 OE2 GLU A 64 -7.125 -0.077 -4.608 1.00 0.00 O ATOM 0 H GLU A 64 -7.671 -2.337 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.090 -0.126 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.847 -1.853 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.685 -0.619 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.441 1.107 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.640 -0.113 -7.028 1.00 0.00 H new ATOM 975 N THR A 65 -4.204 -1.336 -10.528 1.00 0.00 N ATOM 976 CA THR A 65 -3.174 -2.041 -11.255 1.00 0.00 C ATOM 977 C THR A 65 -1.816 -1.824 -10.603 1.00 0.00 C ATOM 978 O THR A 65 -1.287 -0.712 -10.586 1.00 0.00 O ATOM 979 CB THR A 65 -3.119 -1.579 -12.715 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.455 -1.415 -13.218 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.377 -2.589 -13.577 1.00 0.00 C ATOM 0 H THR A 65 -4.211 -0.327 -10.676 1.00 0.00 H new ATOM 0 HA THR A 65 -3.419 -3.103 -11.231 1.00 0.00 H new ATOM 0 HB THR A 65 -2.586 -0.629 -12.755 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.419 -1.118 -14.151 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.352 -2.238 -14.609 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.358 -2.704 -13.208 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.889 -3.550 -13.533 1.00 0.00 H new ATOM 989 N TRP A 66 -1.267 -2.892 -10.066 1.00 0.00 N ATOM 990 CA TRP A 66 0.029 -2.853 -9.410 1.00 0.00 C ATOM 991 C TRP A 66 1.052 -3.539 -10.293 1.00 0.00 C ATOM 992 O TRP A 66 0.685 -4.256 -11.225 1.00 0.00 O ATOM 993 CB TRP A 66 -0.035 -3.557 -8.050 1.00 0.00 C ATOM 994 CG TRP A 66 -0.947 -2.893 -7.061 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.314 -2.899 -7.070 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.558 -2.138 -5.906 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.797 -2.184 -6.001 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.739 -1.710 -5.272 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.674 -1.778 -5.350 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.725 -0.939 -4.112 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.686 -1.020 -4.195 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.506 -0.606 -3.587 1.00 0.00 C ATOM 0 H TRP A 66 -1.704 -3.814 -10.070 1.00 0.00 H new ATOM 0 HA TRP A 66 0.315 -1.814 -9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.365 -4.585 -8.200 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.969 -3.603 -7.629 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.925 -3.394 -7.810 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.782 -2.031 -5.786 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.599 -2.087 -5.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.643 -0.616 -3.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.631 -0.742 -3.753 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.462 -0.012 -2.686 1.00 0.00 H new ATOM 1013 N ARG A 67 2.329 -3.332 -10.020 1.00 0.00 N ATOM 1014 CA ARG A 67 3.356 -3.996 -10.797 1.00 0.00 C ATOM 1015 C ARG A 67 3.563 -5.406 -10.272 1.00 0.00 C ATOM 1016 O ARG A 67 3.201 -5.715 -9.137 1.00 0.00 O ATOM 1017 CB ARG A 67 4.686 -3.248 -10.744 1.00 0.00 C ATOM 1018 CG ARG A 67 4.596 -1.768 -11.010 1.00 0.00 C ATOM 1019 CD ARG A 67 5.982 -1.186 -11.221 1.00 0.00 C ATOM 1020 NE ARG A 67 6.028 0.263 -11.042 1.00 0.00 N ATOM 1021 CZ ARG A 67 7.152 0.975 -11.137 1.00 0.00 C ATOM 1022 NH1 ARG A 67 8.268 0.397 -11.567 1.00 0.00 N ATOM 1023 NH2 ARG A 67 7.145 2.266 -10.839 1.00 0.00 N ATOM 0 H ARG A 67 2.673 -2.721 -9.280 1.00 0.00 H new ATOM 0 HA ARG A 67 3.018 -4.018 -11.833 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.131 -3.399 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.364 -3.692 -11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.980 -1.587 -11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.109 -1.270 -10.172 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.676 -1.655 -10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.324 -1.433 -12.226 1.00 0.00 H new ATOM 0 HE ARG A 67 5.159 0.754 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.265 -0.590 -11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.128 0.940 -11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.280 2.715 -10.537 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.004 2.811 -10.911 1.00 0.00 H new ATOM 1037 N ALA A 68 4.151 -6.252 -11.089 1.00 0.00 N ATOM 1038 CA ALA A 68 4.453 -7.610 -10.680 1.00 0.00 C ATOM 1039 C ALA A 68 5.683 -8.121 -11.402 1.00 0.00 C ATOM 1040 O ALA A 68 5.888 -7.839 -12.583 1.00 0.00 O ATOM 1041 CB ALA A 68 3.267 -8.528 -10.932 1.00 0.00 C ATOM 0 H ALA A 68 4.431 -6.025 -12.043 1.00 0.00 H new ATOM 0 HA ALA A 68 4.657 -7.605 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.518 -9.541 -10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.406 -8.174 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.026 -8.528 -11.995 1.00 0.00 H new ATOM 1047 N THR A 69 6.507 -8.854 -10.681 1.00 0.00 N ATOM 1048 CA THR A 69 7.713 -9.424 -11.243 1.00 0.00 C ATOM 1049 C THR A 69 7.822 -10.889 -10.830 1.00 0.00 C ATOM 1050 O THR A 69 7.158 -11.328 -9.886 1.00 0.00 O ATOM 1051 CB THR A 69 8.961 -8.649 -10.780 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.666 -7.245 -10.696 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.114 -8.856 -11.747 1.00 0.00 C ATOM 0 H THR A 69 6.360 -9.070 -9.695 1.00 0.00 H new ATOM 0 HA THR A 69 7.658 -9.353 -12.329 1.00 0.00 H new ATOM 0 HB THR A 69 9.248 -9.026 -9.798 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.148 -6.767 -11.402 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.984 -8.299 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.359 -9.917 -11.799 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.827 -8.501 -12.737 1.00 0.00 H new ATOM 1061 N SER A 70 8.646 -11.642 -11.537 1.00 0.00 N ATOM 1062 CA SER A 70 8.779 -13.066 -11.290 1.00 0.00 C ATOM 1063 C SER A 70 10.086 -13.574 -11.884 1.00 0.00 C ATOM 1064 O SER A 70 10.750 -12.860 -12.638 1.00 0.00 O ATOM 1065 CB SER A 70 7.593 -13.813 -11.913 1.00 0.00 C ATOM 1066 OG SER A 70 7.589 -15.184 -11.544 1.00 0.00 O ATOM 0 H SER A 70 9.236 -11.288 -12.290 1.00 0.00 H new ATOM 0 HA SER A 70 8.786 -13.245 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.661 -13.347 -11.595 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.638 -13.728 -12.999 1.00 0.00 H new ATOM 0 HG SER A 70 7.059 -15.302 -10.728 1.00 0.00 H new ATOM 1072 N GLY A 71 10.457 -14.795 -11.528 1.00 0.00 N ATOM 1073 CA GLY A 71 11.596 -15.436 -12.152 1.00 0.00 C ATOM 1074 C GLY A 71 11.160 -16.249 -13.353 1.00 0.00 C ATOM 1075 O GLY A 71 11.917 -17.060 -13.885 1.00 0.00 O ATOM 0 H GLY A 71 9.988 -15.355 -10.816 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.320 -14.682 -12.460 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.096 -16.082 -11.431 1.00 0.00 H new ATOM 1079 N THR A 72 9.924 -16.015 -13.767 1.00 0.00 N ATOM 1080 CA THR A 72 9.318 -16.718 -14.886 1.00 0.00 C ATOM 1081 C THR A 72 8.715 -15.702 -15.852 1.00 0.00 C ATOM 1082 O THR A 72 8.589 -14.524 -15.507 1.00 0.00 O ATOM 1083 CB THR A 72 8.198 -17.650 -14.387 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.408 -17.955 -13.000 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.162 -18.941 -15.188 1.00 0.00 C ATOM 0 H THR A 72 9.309 -15.327 -13.332 1.00 0.00 H new ATOM 0 HA THR A 72 10.085 -17.309 -15.387 1.00 0.00 H new ATOM 0 HB THR A 72 7.245 -17.138 -14.516 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.173 -17.176 -12.454 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.362 -19.579 -14.814 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.982 -18.712 -16.239 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.116 -19.458 -15.087 1.00 0.00 H new ATOM 1093 N VAL A 73 8.349 -16.140 -17.047 1.00 0.00 N ATOM 1094 CA VAL A 73 7.663 -15.260 -17.979 1.00 0.00 C ATOM 1095 C VAL A 73 6.156 -15.494 -17.881 1.00 0.00 C ATOM 1096 O VAL A 73 5.687 -16.634 -17.900 1.00 0.00 O ATOM 1097 CB VAL A 73 8.156 -15.442 -19.441 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.831 -16.827 -19.974 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.566 -14.366 -20.346 1.00 0.00 C ATOM 0 H VAL A 73 8.513 -17.086 -17.391 1.00 0.00 H new ATOM 0 HA VAL A 73 7.894 -14.231 -17.702 1.00 0.00 H new ATOM 0 HB VAL A 73 9.241 -15.337 -19.437 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.191 -16.916 -20.999 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.316 -17.579 -19.352 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.752 -16.981 -19.954 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.924 -14.512 -21.365 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.478 -14.434 -20.330 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.874 -13.383 -19.990 1.00 0.00 H new ATOM 1109 N LEU A 74 5.408 -14.416 -17.728 1.00 0.00 N ATOM 1110 CA LEU A 74 3.972 -14.503 -17.546 1.00 0.00 C ATOM 1111 C LEU A 74 3.258 -13.725 -18.636 1.00 0.00 C ATOM 1112 O LEU A 74 3.527 -12.540 -18.844 1.00 0.00 O ATOM 1113 CB LEU A 74 3.583 -13.960 -16.170 1.00 0.00 C ATOM 1114 CG LEU A 74 4.265 -14.648 -14.985 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.959 -13.914 -13.692 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.827 -16.103 -14.887 1.00 0.00 C ATOM 0 H LEU A 74 5.775 -13.464 -17.726 1.00 0.00 H new ATOM 0 HA LEU A 74 3.673 -15.549 -17.609 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.817 -12.896 -16.137 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.503 -14.052 -16.052 1.00 0.00 H new ATOM 0 HG LEU A 74 5.342 -14.622 -15.149 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.453 -14.419 -12.862 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.322 -12.889 -13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.882 -13.907 -13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.322 -16.576 -14.039 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.747 -16.149 -14.748 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.098 -16.627 -15.804 1.00 0.00 H new ATOM 1128 N ASP A 75 2.356 -14.395 -19.327 1.00 0.00 N ATOM 1129 CA ASP A 75 1.646 -13.791 -20.443 1.00 0.00 C ATOM 1130 C ASP A 75 0.386 -13.087 -19.963 1.00 0.00 C ATOM 1131 O ASP A 75 -0.019 -13.220 -18.807 1.00 0.00 O ATOM 1132 CB ASP A 75 1.285 -14.858 -21.476 1.00 0.00 C ATOM 1133 CG ASP A 75 0.697 -14.292 -22.752 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -0.258 -14.898 -23.284 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.165 -13.232 -23.213 1.00 0.00 O ATOM 0 H ASP A 75 2.095 -15.362 -19.136 1.00 0.00 H new ATOM 0 HA ASP A 75 2.300 -13.052 -20.905 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.179 -15.432 -21.721 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.571 -15.553 -21.034 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.237 -12.367 -20.868 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.413 -11.578 -20.559 1.00 0.00 C ATOM 1143 C VAL A 76 -2.628 -12.478 -20.404 1.00 0.00 C ATOM 1144 O VAL A 76 -2.942 -13.273 -21.293 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.689 -10.530 -21.658 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.880 -9.657 -21.293 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.456 -9.673 -21.912 1.00 0.00 C ATOM 0 H VAL A 76 0.057 -12.310 -21.843 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.223 -11.057 -19.621 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.929 -11.065 -22.577 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.052 -8.927 -22.084 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.766 -10.281 -21.175 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.676 -9.136 -20.357 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.675 -8.942 -22.690 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.178 -9.154 -20.995 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.369 -10.309 -22.233 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.299 -12.359 -19.270 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.472 -13.163 -19.015 1.00 0.00 C ATOM 1159 C GLY A 77 -4.178 -14.336 -18.101 1.00 0.00 C ATOM 1160 O GLY A 77 -5.069 -15.127 -17.798 1.00 0.00 O ATOM 0 H GLY A 77 -3.050 -11.716 -18.518 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.246 -12.540 -18.566 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.869 -13.533 -19.960 1.00 0.00 H new ATOM 1164 N GLU A 78 -2.928 -14.459 -17.667 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.539 -15.533 -16.777 1.00 0.00 C ATOM 1166 C GLU A 78 -3.026 -15.294 -15.359 1.00 0.00 C ATOM 1167 O GLU A 78 -3.391 -14.174 -14.985 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.026 -15.693 -16.771 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.472 -16.340 -18.023 1.00 0.00 C ATOM 1170 CD GLU A 78 -0.986 -17.747 -18.248 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.191 -18.702 -18.127 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -2.187 -17.909 -18.547 1.00 0.00 O ATOM 0 H GLU A 78 -2.171 -13.825 -17.921 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.005 -16.446 -17.149 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.567 -14.712 -16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.737 -16.291 -15.907 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.728 -15.725 -18.885 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.616 -16.364 -17.960 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.992 -16.357 -14.577 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.414 -16.316 -13.183 1.00 0.00 C ATOM 1182 C GLU A 79 -2.206 -16.513 -12.289 1.00 0.00 C ATOM 1183 O GLU A 79 -1.523 -17.532 -12.384 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.432 -17.421 -12.901 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.614 -17.429 -13.850 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.509 -18.629 -13.637 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.322 -18.611 -12.689 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -6.399 -19.600 -14.415 1.00 0.00 O ATOM 0 H GLU A 79 -2.672 -17.274 -14.887 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.876 -15.349 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.929 -18.386 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.799 -17.310 -11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.194 -16.516 -13.713 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.252 -17.425 -14.878 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.932 -15.557 -11.420 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.732 -15.646 -10.604 1.00 0.00 C ATOM 1198 C VAL A 80 -1.025 -15.573 -9.111 1.00 0.00 C ATOM 1199 O VAL A 80 -2.023 -15.001 -8.688 1.00 0.00 O ATOM 1200 CB VAL A 80 0.288 -14.548 -10.977 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.774 -14.741 -12.404 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.309 -13.158 -10.796 1.00 0.00 C ATOM 0 H VAL A 80 -2.507 -14.729 -11.262 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.305 -16.626 -10.816 1.00 0.00 H new ATOM 0 HB VAL A 80 1.141 -14.635 -10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.492 -13.960 -12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.252 -15.716 -12.497 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.073 -14.686 -13.088 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.432 -12.406 -11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.184 -13.052 -11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.603 -13.021 -9.755 1.00 0.00 H new ATOM 1212 N SER A 81 -0.151 -16.188 -8.330 1.00 0.00 N ATOM 1213 CA SER A 81 -0.242 -16.166 -6.879 1.00 0.00 C ATOM 1214 C SER A 81 0.745 -15.145 -6.325 1.00 0.00 C ATOM 1215 O SER A 81 1.925 -15.169 -6.675 1.00 0.00 O ATOM 1216 CB SER A 81 0.085 -17.547 -6.311 1.00 0.00 C ATOM 1217 OG SER A 81 -0.634 -18.562 -6.987 1.00 0.00 O ATOM 0 H SER A 81 0.644 -16.718 -8.686 1.00 0.00 H new ATOM 0 HA SER A 81 -1.257 -15.893 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.155 -17.735 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.157 -17.573 -5.248 1.00 0.00 H new ATOM 0 HG SER A 81 -0.405 -19.435 -6.605 1.00 0.00 H new ATOM 1223 N VAL A 82 0.262 -14.250 -5.478 1.00 0.00 N ATOM 1224 CA VAL A 82 1.114 -13.223 -4.895 1.00 0.00 C ATOM 1225 C VAL A 82 1.814 -13.750 -3.648 1.00 0.00 C ATOM 1226 O VAL A 82 1.169 -14.074 -2.646 1.00 0.00 O ATOM 1227 CB VAL A 82 0.317 -11.951 -4.531 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.241 -10.856 -4.014 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.495 -11.455 -5.722 1.00 0.00 C ATOM 0 H VAL A 82 -0.712 -14.213 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 82 1.855 -12.960 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.378 -12.211 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.654 -9.972 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.761 -11.209 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.971 -10.602 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.046 -10.559 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.176 -11.222 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.196 -12.230 -6.032 1.00 0.00 H new ATOM 1239 N LYS A 83 3.135 -13.841 -3.726 1.00 0.00 N ATOM 1240 CA LYS A 83 3.945 -14.303 -2.621 1.00 0.00 C ATOM 1241 C LYS A 83 4.255 -13.172 -1.654 1.00 0.00 C ATOM 1242 O LYS A 83 4.007 -13.276 -0.456 1.00 0.00 O ATOM 1243 CB LYS A 83 5.250 -14.881 -3.139 1.00 0.00 C ATOM 1244 CG LYS A 83 5.110 -16.239 -3.787 1.00 0.00 C ATOM 1245 CD LYS A 83 6.472 -16.785 -4.142 1.00 0.00 C ATOM 1246 CE LYS A 83 6.382 -18.122 -4.852 1.00 0.00 C ATOM 1247 NZ LYS A 83 5.795 -19.178 -3.989 1.00 0.00 N ATOM 0 H LYS A 83 3.669 -13.595 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 83 3.379 -15.071 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.680 -14.188 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.955 -14.956 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.600 -16.924 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.495 -16.161 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.994 -16.071 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.066 -16.896 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.777 -18.013 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.378 -18.429 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.785 -20.081 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.366 -19.278 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.822 -18.915 -3.732 1.00 0.00 H new ATOM 1261 N ALA A 84 4.800 -12.087 -2.190 1.00 0.00 N ATOM 1262 CA ALA A 84 5.284 -10.995 -1.359 1.00 0.00 C ATOM 1263 C ALA A 84 5.192 -9.663 -2.087 1.00 0.00 C ATOM 1264 O ALA A 84 4.932 -9.617 -3.292 1.00 0.00 O ATOM 1265 CB ALA A 84 6.721 -11.259 -0.933 1.00 0.00 C ATOM 0 H ALA A 84 4.917 -11.941 -3.193 1.00 0.00 H new ATOM 0 HA ALA A 84 4.650 -10.940 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.073 -10.436 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.767 -12.188 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.353 -11.343 -1.817 1.00 0.00 H new ATOM 1271 N ILE A 85 5.421 -8.587 -1.351 1.00 0.00 N ATOM 1272 CA ILE A 85 5.337 -7.243 -1.895 1.00 0.00 C ATOM 1273 C ILE A 85 6.724 -6.609 -1.930 1.00 0.00 C ATOM 1274 O ILE A 85 7.502 -6.763 -0.993 1.00 0.00 O ATOM 1275 CB ILE A 85 4.397 -6.371 -1.032 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.050 -7.077 -0.843 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.198 -5.004 -1.667 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.149 -6.416 0.179 1.00 0.00 C ATOM 0 H ILE A 85 5.670 -8.621 -0.362 1.00 0.00 H new ATOM 0 HA ILE A 85 4.938 -7.304 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 85 4.857 -6.227 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.532 -7.112 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.231 -8.108 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.533 -4.406 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.161 -4.501 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.757 -5.123 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.216 -6.974 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.646 -6.405 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.936 -5.393 -0.131 1.00 0.00 H new ATOM 1290 N GLU A 86 7.035 -5.914 -3.011 1.00 0.00 N ATOM 1291 CA GLU A 86 8.317 -5.252 -3.146 1.00 0.00 C ATOM 1292 C GLU A 86 8.122 -3.837 -3.684 1.00 0.00 C ATOM 1293 O GLU A 86 8.214 -3.598 -4.888 1.00 0.00 O ATOM 1294 CB GLU A 86 9.241 -6.065 -4.063 1.00 0.00 C ATOM 1295 CG GLU A 86 10.662 -5.529 -4.136 1.00 0.00 C ATOM 1296 CD GLU A 86 11.563 -6.370 -5.019 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.086 -7.399 -4.542 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.768 -6.000 -6.193 1.00 0.00 O ATOM 0 H GLU A 86 6.413 -5.795 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 86 8.787 -5.184 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.270 -7.096 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.817 -6.082 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.641 -4.507 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.082 -5.488 -3.131 1.00 0.00 H new ATOM 1306 N GLY A 87 7.807 -2.909 -2.790 1.00 0.00 N ATOM 1307 CA GLY A 87 7.626 -1.526 -3.185 1.00 0.00 C ATOM 1308 C GLY A 87 6.330 -1.300 -3.932 1.00 0.00 C ATOM 1309 O GLY A 87 5.247 -1.400 -3.358 1.00 0.00 O ATOM 0 H GLY A 87 7.673 -3.090 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.645 -0.893 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.462 -1.219 -3.814 1.00 0.00 H new ATOM 1313 N VAL A 88 6.446 -1.003 -5.216 1.00 0.00 N ATOM 1314 CA VAL A 88 5.286 -0.739 -6.059 1.00 0.00 C ATOM 1315 C VAL A 88 4.933 -1.983 -6.879 1.00 0.00 C ATOM 1316 O VAL A 88 3.955 -2.003 -7.630 1.00 0.00 O ATOM 1317 CB VAL A 88 5.551 0.454 -7.009 1.00 0.00 C ATOM 1318 CG1 VAL A 88 4.262 0.948 -7.653 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.247 1.590 -6.267 1.00 0.00 C ATOM 0 H VAL A 88 7.340 -0.938 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 88 4.448 -0.486 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 88 6.209 0.104 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.483 1.786 -8.314 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.811 0.141 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.568 1.271 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.424 2.418 -6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.616 1.928 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.199 1.237 -5.872 1.00 0.00 H new ATOM 1329 N LYS A 89 5.732 -3.030 -6.724 1.00 0.00 N ATOM 1330 CA LYS A 89 5.519 -4.256 -7.469 1.00 0.00 C ATOM 1331 C LYS A 89 5.395 -5.453 -6.538 1.00 0.00 C ATOM 1332 O LYS A 89 5.719 -5.371 -5.356 1.00 0.00 O ATOM 1333 CB LYS A 89 6.643 -4.467 -8.484 1.00 0.00 C ATOM 1334 CG LYS A 89 8.038 -4.345 -7.907 1.00 0.00 C ATOM 1335 CD LYS A 89 9.092 -4.442 -8.996 1.00 0.00 C ATOM 1336 CE LYS A 89 10.491 -4.318 -8.425 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.536 -4.413 -9.479 1.00 0.00 N ATOM 0 H LYS A 89 6.531 -3.052 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 89 4.578 -4.163 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.533 -5.455 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.531 -3.740 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.137 -3.393 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.200 -5.131 -7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.993 -5.395 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.928 -3.657 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.587 -3.365 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.651 -5.102 -7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.477 -4.323 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.463 -5.333 -9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.401 -3.649 -10.172 1.00 0.00 H new ATOM 1351 N LEU A 90 4.923 -6.564 -7.077 1.00 0.00 N ATOM 1352 CA LEU A 90 4.688 -7.756 -6.283 1.00 0.00 C ATOM 1353 C LEU A 90 5.525 -8.913 -6.801 1.00 0.00 C ATOM 1354 O LEU A 90 5.827 -8.989 -7.992 1.00 0.00 O ATOM 1355 CB LEU A 90 3.207 -8.138 -6.326 1.00 0.00 C ATOM 1356 CG LEU A 90 2.232 -7.042 -5.902 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.798 -7.511 -6.080 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.481 -6.633 -4.459 1.00 0.00 C ATOM 0 H LEU A 90 4.694 -6.665 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 90 4.975 -7.542 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.959 -8.448 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.055 -9.004 -5.682 1.00 0.00 H new ATOM 0 HG LEU A 90 2.395 -6.172 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.115 -6.719 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.623 -7.756 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.626 -8.396 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.776 -5.851 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.346 -7.496 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.499 -6.258 -4.358 1.00 0.00 H new ATOM 1370 N VAL A 91 5.896 -9.810 -5.904 1.00 0.00 N ATOM 1371 CA VAL A 91 6.621 -11.015 -6.279 1.00 0.00 C ATOM 1372 C VAL A 91 5.628 -12.151 -6.472 1.00 0.00 C ATOM 1373 O VAL A 91 5.053 -12.654 -5.505 1.00 0.00 O ATOM 1374 CB VAL A 91 7.665 -11.410 -5.209 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.456 -12.632 -5.646 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.599 -10.242 -4.921 1.00 0.00 C ATOM 0 H VAL A 91 5.707 -9.727 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 91 7.158 -10.818 -7.207 1.00 0.00 H new ATOM 0 HB VAL A 91 7.133 -11.663 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.183 -12.889 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.776 -13.470 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.977 -12.414 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.328 -10.537 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.119 -9.958 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.020 -9.394 -4.555 1.00 0.00 H new ATOM 1386 N VAL A 92 5.404 -12.539 -7.717 1.00 0.00 N ATOM 1387 CA VAL A 92 4.357 -13.501 -8.025 1.00 0.00 C ATOM 1388 C VAL A 92 4.880 -14.682 -8.834 1.00 0.00 C ATOM 1389 O VAL A 92 6.028 -14.691 -9.284 1.00 0.00 O ATOM 1390 CB VAL A 92 3.208 -12.838 -8.821 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.571 -11.708 -8.028 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.708 -12.327 -10.167 1.00 0.00 C ATOM 0 H VAL A 92 5.929 -12.206 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 92 3.988 -13.863 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 92 2.447 -13.597 -9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.767 -11.261 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.166 -12.101 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.323 -10.950 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.883 -11.865 -10.710 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.495 -11.590 -10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.103 -13.160 -10.748 1.00 0.00 H new ATOM 1402 N GLU A 93 4.027 -15.685 -8.983 1.00 0.00 N ATOM 1403 CA GLU A 93 4.258 -16.778 -9.924 1.00 0.00 C ATOM 1404 C GLU A 93 2.916 -17.316 -10.381 1.00 0.00 C ATOM 1405 O GLU A 93 1.885 -16.890 -9.877 1.00 0.00 O ATOM 1406 CB GLU A 93 5.091 -17.906 -9.318 1.00 0.00 C ATOM 1407 CG GLU A 93 4.402 -18.664 -8.193 1.00 0.00 C ATOM 1408 CD GLU A 93 5.109 -19.965 -7.874 1.00 0.00 C ATOM 1409 OE1 GLU A 93 5.332 -20.256 -6.682 1.00 0.00 O ATOM 1410 OE2 GLU A 93 5.469 -20.697 -8.821 1.00 0.00 O ATOM 0 H GLU A 93 3.156 -15.767 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 93 4.826 -16.385 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.353 -18.611 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.024 -17.489 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.370 -18.039 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.369 -18.871 -8.474 1.00 0.00 H new ATOM 1418 N LYS A 94 2.919 -18.257 -11.306 1.00 0.00 N ATOM 1419 CA LYS A 94 1.663 -18.740 -11.870 1.00 0.00 C ATOM 1420 C LYS A 94 0.981 -19.738 -10.933 1.00 0.00 C ATOM 1421 O LYS A 94 1.638 -20.430 -10.149 1.00 0.00 O ATOM 1422 CB LYS A 94 1.868 -19.374 -13.254 1.00 0.00 C ATOM 1423 CG LYS A 94 0.564 -19.845 -13.890 1.00 0.00 C ATOM 1424 CD LYS A 94 0.744 -20.364 -15.307 1.00 0.00 C ATOM 1425 CE LYS A 94 -0.577 -20.887 -15.850 1.00 0.00 C ATOM 1426 NZ LYS A 94 -0.500 -21.250 -17.287 1.00 0.00 N ATOM 0 H LYS A 94 3.759 -18.699 -11.681 1.00 0.00 H new ATOM 0 HA LYS A 94 1.014 -17.872 -11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.347 -18.649 -13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.549 -20.221 -13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.130 -20.632 -13.274 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.147 -19.019 -13.900 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.118 -19.566 -15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.490 -21.159 -15.318 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.882 -21.761 -15.274 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.348 -20.129 -15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.438 -21.552 -17.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.187 -20.425 -17.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.179 -22.028 -17.413 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.345 -19.776 -11.007 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.145 -20.742 -10.268 1.00 0.00 C ATOM 1442 C LEU A 95 -0.838 -22.167 -10.716 1.00 0.00 C ATOM 1443 O LEU A 95 -0.382 -22.393 -11.837 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.632 -20.452 -10.473 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.334 -19.713 -9.333 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.230 -20.498 -8.034 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -2.768 -18.319 -9.168 1.00 0.00 C ATOM 0 H LEU A 95 -0.894 -19.137 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.894 -20.650 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.745 -19.865 -11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.147 -21.398 -10.638 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.390 -19.621 -9.588 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.737 -19.953 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.698 -21.474 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.180 -20.631 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.282 -17.812 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.704 -18.383 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.910 -17.757 -10.091 1.00 0.00 H new