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 -170:sc= -0.0962 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.15) USER MOD Single : A 48 MET CE :methyl 147:sc= -1.38 (180deg=-4.18!) USER MOD Single : A 52 SER OG : rot -2:sc= 0.605 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0043 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00239 USER MOD Single : A 83 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.355) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc=-3.95e-05 (180deg=-0.1) USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= 1.11 (180deg=0.872) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.426 -8.519 1.320 1.00 0.00 N ATOM 601 CA LEU A 40 -3.238 -8.698 -0.112 1.00 0.00 C ATOM 602 C LEU A 40 -2.336 -9.900 -0.388 1.00 0.00 C ATOM 603 O LEU A 40 -2.190 -10.334 -1.531 1.00 0.00 O ATOM 604 CB LEU A 40 -2.634 -7.431 -0.727 1.00 0.00 C ATOM 605 CG LEU A 40 -3.519 -6.184 -0.658 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.799 -4.981 -1.247 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.834 -6.421 -1.383 1.00 0.00 C ATOM 0 HA LEU A 40 -4.210 -8.883 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.692 -7.216 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.398 -7.631 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.734 -5.977 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.445 -4.105 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.883 -4.794 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.551 -5.180 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.449 -5.523 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.636 -6.656 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.361 -7.254 -0.918 1.00 0.00 H new ATOM 619 N ILE A 41 -1.746 -10.442 0.670 1.00 0.00 N ATOM 620 CA ILE A 41 -0.852 -11.584 0.549 1.00 0.00 C ATOM 621 C ILE A 41 -1.650 -12.873 0.486 1.00 0.00 C ATOM 622 O ILE A 41 -2.452 -13.164 1.376 1.00 0.00 O ATOM 623 CB ILE A 41 0.151 -11.650 1.723 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.994 -10.372 1.778 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.049 -12.880 1.602 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.808 -10.120 0.525 1.00 0.00 C ATOM 0 H ILE A 41 -1.872 -10.106 1.625 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.286 -11.460 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.414 -11.733 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.335 -9.521 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.668 -10.430 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.746 -12.905 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.436 -13.781 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.607 -12.833 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.377 -9.198 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.493 -10.952 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.139 -10.029 -0.331 1.00 0.00 H new ATOM 638 N GLY A 42 -1.435 -13.639 -0.570 1.00 0.00 N ATOM 639 CA GLY A 42 -2.162 -14.875 -0.740 1.00 0.00 C ATOM 640 C GLY A 42 -3.366 -14.707 -1.637 1.00 0.00 C ATOM 641 O GLY A 42 -4.179 -15.617 -1.782 1.00 0.00 O ATOM 0 H GLY A 42 -0.769 -13.426 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.499 -15.630 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.485 -15.242 0.234 1.00 0.00 H new ATOM 645 N ARG A 43 -3.490 -13.528 -2.224 1.00 0.00 N ATOM 646 CA ARG A 43 -4.566 -13.255 -3.159 1.00 0.00 C ATOM 647 C ARG A 43 -4.146 -13.651 -4.563 1.00 0.00 C ATOM 648 O ARG A 43 -2.950 -13.747 -4.862 1.00 0.00 O ATOM 649 CB ARG A 43 -4.937 -11.771 -3.137 1.00 0.00 C ATOM 650 CG ARG A 43 -5.471 -11.278 -1.800 1.00 0.00 C ATOM 651 CD ARG A 43 -6.989 -11.371 -1.717 1.00 0.00 C ATOM 652 NE ARG A 43 -7.485 -12.739 -1.869 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.081 -13.427 -0.898 1.00 0.00 C ATOM 654 NH1 ARG A 43 -8.262 -12.877 0.294 1.00 0.00 N ATOM 655 NH2 ARG A 43 -8.525 -14.654 -1.129 1.00 0.00 N ATOM 0 H ARG A 43 -2.857 -12.744 -2.068 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.436 -13.840 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.057 -11.185 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.687 -11.585 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.028 -11.865 -0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.163 -10.244 -1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.320 -10.974 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.429 -10.742 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.367 -13.193 -2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.944 -11.924 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.719 -13.407 1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.410 -15.073 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.982 -15.180 -0.384 1.00 0.00 H new ATOM 669 N LYS A 44 -5.124 -13.882 -5.415 1.00 0.00 N ATOM 670 CA LYS A 44 -4.864 -14.210 -6.799 1.00 0.00 C ATOM 671 C LYS A 44 -4.920 -12.945 -7.643 1.00 0.00 C ATOM 672 O LYS A 44 -5.727 -12.050 -7.385 1.00 0.00 O ATOM 673 CB LYS A 44 -5.889 -15.220 -7.316 1.00 0.00 C ATOM 674 CG LYS A 44 -5.536 -15.779 -8.684 1.00 0.00 C ATOM 675 CD LYS A 44 -6.718 -16.469 -9.348 1.00 0.00 C ATOM 676 CE LYS A 44 -7.825 -15.478 -9.673 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.869 -16.079 -10.540 1.00 0.00 N ATOM 0 H LYS A 44 -6.113 -13.848 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.872 -14.655 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.972 -16.042 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.868 -14.742 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.183 -14.971 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.714 -16.488 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.388 -16.961 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.105 -17.247 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.280 -15.126 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.398 -14.607 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.739 -15.512 -10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.535 -16.096 -11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.066 -17.050 -10.224 1.00 0.00 H new ATOM 691 N GLY A 45 -4.071 -12.886 -8.645 1.00 0.00 N ATOM 692 CA GLY A 45 -4.043 -11.754 -9.530 1.00 0.00 C ATOM 693 C GLY A 45 -4.074 -12.191 -10.973 1.00 0.00 C ATOM 694 O GLY A 45 -3.838 -13.360 -11.281 1.00 0.00 O ATOM 0 H GLY A 45 -3.391 -13.614 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.896 -11.107 -9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.144 -11.166 -9.344 1.00 0.00 H new ATOM 698 N VAL A 46 -4.361 -11.259 -11.849 1.00 0.00 N ATOM 699 CA VAL A 46 -4.419 -11.531 -13.272 1.00 0.00 C ATOM 700 C VAL A 46 -3.370 -10.700 -14.001 1.00 0.00 C ATOM 701 O VAL A 46 -3.104 -9.555 -13.625 1.00 0.00 O ATOM 702 CB VAL A 46 -5.829 -11.230 -13.839 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.185 -9.756 -13.687 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.939 -11.669 -15.293 1.00 0.00 C ATOM 0 H VAL A 46 -4.561 -10.290 -11.600 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.211 -12.590 -13.429 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.548 -11.807 -13.257 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.180 -9.578 -14.095 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.172 -9.485 -12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.458 -9.149 -14.226 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.939 -11.446 -15.666 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.201 -11.135 -15.891 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.756 -12.741 -15.364 1.00 0.00 H new ATOM 714 N VAL A 47 -2.771 -11.272 -15.029 1.00 0.00 N ATOM 715 CA VAL A 47 -1.745 -10.581 -15.786 1.00 0.00 C ATOM 716 C VAL A 47 -2.377 -9.728 -16.881 1.00 0.00 C ATOM 717 O VAL A 47 -2.985 -10.250 -17.817 1.00 0.00 O ATOM 718 CB VAL A 47 -0.740 -11.567 -16.412 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.385 -10.819 -17.108 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.184 -12.509 -15.360 1.00 0.00 C ATOM 0 H VAL A 47 -2.978 -12.215 -15.359 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.204 -9.939 -15.092 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.268 -12.161 -17.158 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.083 -11.534 -17.543 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.029 -10.191 -17.897 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.909 -10.195 -16.384 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.523 -13.196 -15.824 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.324 -11.932 -14.587 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.000 -13.076 -14.912 1.00 0.00 H new ATOM 730 N MET A 48 -2.248 -8.419 -16.745 1.00 0.00 N ATOM 731 CA MET A 48 -2.803 -7.487 -17.713 1.00 0.00 C ATOM 732 C MET A 48 -1.731 -7.067 -18.710 1.00 0.00 C ATOM 733 O MET A 48 -2.012 -6.843 -19.890 1.00 0.00 O ATOM 734 CB MET A 48 -3.368 -6.256 -16.999 1.00 0.00 C ATOM 735 CG MET A 48 -4.489 -6.556 -16.001 1.00 0.00 C ATOM 736 SD MET A 48 -6.114 -6.784 -16.761 1.00 0.00 S ATOM 737 CE MET A 48 -5.961 -8.397 -17.528 1.00 0.00 C ATOM 0 H MET A 48 -1.760 -7.975 -15.967 1.00 0.00 H new ATOM 0 HA MET A 48 -3.611 -7.982 -18.252 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.556 -5.753 -16.473 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.743 -5.558 -17.748 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.232 -7.456 -15.442 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.548 -5.740 -15.281 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.925 -8.905 -17.503 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.640 -8.279 -18.563 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.225 -8.990 -16.985 1.00 0.00 H new ATOM 747 N GLU A 49 -0.501 -6.963 -18.226 1.00 0.00 N ATOM 748 CA GLU A 49 0.629 -6.633 -19.077 1.00 0.00 C ATOM 749 C GLU A 49 1.695 -7.708 -18.942 1.00 0.00 C ATOM 750 O GLU A 49 1.917 -8.222 -17.846 1.00 0.00 O ATOM 751 CB GLU A 49 1.197 -5.262 -18.711 1.00 0.00 C ATOM 752 CG GLU A 49 2.299 -4.785 -19.642 1.00 0.00 C ATOM 753 CD GLU A 49 1.858 -4.768 -21.090 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.299 -3.745 -21.531 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.055 -5.784 -21.790 1.00 0.00 O ATOM 0 H GLU A 49 -0.262 -7.103 -17.244 1.00 0.00 H new ATOM 0 HA GLU A 49 0.294 -6.591 -20.114 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.388 -4.531 -18.716 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.585 -5.300 -17.693 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.612 -3.783 -19.348 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.168 -5.435 -19.536 1.00 0.00 H new ATOM 763 N ALA A 50 2.352 -8.024 -20.054 1.00 0.00 N ATOM 764 CA ALA A 50 3.289 -9.137 -20.119 1.00 0.00 C ATOM 765 C ALA A 50 4.403 -9.004 -19.086 1.00 0.00 C ATOM 766 O ALA A 50 5.129 -8.009 -19.058 1.00 0.00 O ATOM 767 CB ALA A 50 3.878 -9.246 -21.515 1.00 0.00 C ATOM 0 H ALA A 50 2.249 -7.516 -20.933 1.00 0.00 H new ATOM 0 HA ALA A 50 2.735 -10.047 -19.889 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.577 -10.082 -21.551 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.077 -9.411 -22.236 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.403 -8.323 -21.761 1.00 0.00 H new ATOM 773 N ILE A 51 4.528 -10.016 -18.241 1.00 0.00 N ATOM 774 CA ILE A 51 5.564 -10.054 -17.222 1.00 0.00 C ATOM 775 C ILE A 51 6.764 -10.840 -17.739 1.00 0.00 C ATOM 776 O ILE A 51 6.639 -12.020 -18.066 1.00 0.00 O ATOM 777 CB ILE A 51 5.052 -10.718 -15.924 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.798 -10.002 -15.416 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.136 -10.710 -14.855 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.132 -10.691 -14.247 1.00 0.00 C ATOM 0 H ILE A 51 3.916 -10.832 -18.243 1.00 0.00 H new ATOM 0 HA ILE A 51 5.851 -9.027 -16.998 1.00 0.00 H new ATOM 0 HB ILE A 51 4.795 -11.754 -16.147 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.065 -8.987 -15.123 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.082 -9.920 -16.233 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.757 -11.182 -13.949 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.005 -11.261 -15.214 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.423 -9.682 -14.636 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.252 -10.124 -13.944 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.833 -11.697 -14.540 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.831 -10.749 -13.413 1.00 0.00 H new ATOM 792 N SER A 52 7.917 -10.197 -17.817 1.00 0.00 N ATOM 793 CA SER A 52 9.101 -10.859 -18.337 1.00 0.00 C ATOM 794 C SER A 52 10.301 -10.650 -17.424 1.00 0.00 C ATOM 795 O SER A 52 10.298 -9.771 -16.565 1.00 0.00 O ATOM 796 CB SER A 52 9.423 -10.339 -19.741 1.00 0.00 C ATOM 797 OG SER A 52 9.471 -8.922 -19.758 1.00 0.00 O ATOM 0 H SER A 52 8.058 -9.228 -17.530 1.00 0.00 H new ATOM 0 HA SER A 52 8.891 -11.927 -18.384 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.380 -10.743 -20.072 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.668 -10.690 -20.445 1.00 0.00 H new ATOM 0 HG SER A 52 9.250 -8.576 -18.868 1.00 0.00 H new ATOM 803 N PRO A 53 11.341 -11.480 -17.604 1.00 0.00 N ATOM 804 CA PRO A 53 12.634 -11.306 -16.929 1.00 0.00 C ATOM 805 C PRO A 53 13.363 -10.047 -17.403 1.00 0.00 C ATOM 806 O PRO A 53 14.415 -9.685 -16.876 1.00 0.00 O ATOM 807 CB PRO A 53 13.437 -12.554 -17.325 1.00 0.00 C ATOM 808 CG PRO A 53 12.453 -13.507 -17.921 1.00 0.00 C ATOM 809 CD PRO A 53 11.317 -12.678 -18.454 1.00 0.00 C ATOM 0 HA PRO A 53 12.509 -11.193 -15.852 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.220 -12.303 -18.041 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.928 -12.993 -16.457 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.913 -14.091 -18.718 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.098 -14.215 -17.172 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.461 -12.428 -19.505 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.366 -13.205 -18.379 1.00 0.00 H new ATOM 817 N GLN A 54 12.804 -9.400 -18.418 1.00 0.00 N ATOM 818 CA GLN A 54 13.366 -8.167 -18.947 1.00 0.00 C ATOM 819 C GLN A 54 12.701 -6.961 -18.300 1.00 0.00 C ATOM 820 O GLN A 54 13.365 -6.107 -17.714 1.00 0.00 O ATOM 821 CB GLN A 54 13.179 -8.095 -20.461 1.00 0.00 C ATOM 822 CG GLN A 54 13.870 -9.211 -21.221 1.00 0.00 C ATOM 823 CD GLN A 54 13.775 -9.032 -22.723 1.00 0.00 C ATOM 824 OE1 GLN A 54 12.804 -8.475 -23.236 1.00 0.00 O ATOM 825 NE2 GLN A 54 14.785 -9.500 -23.438 1.00 0.00 N ATOM 0 H GLN A 54 11.957 -9.712 -18.893 1.00 0.00 H new ATOM 0 HA GLN A 54 14.432 -8.158 -18.719 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.113 -8.121 -20.687 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.557 -7.137 -20.819 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.919 -9.251 -20.928 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.425 -10.166 -20.943 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.571 -9.955 -22.974 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.778 -9.406 -24.454 1.00 0.00 H new ATOM 834 N ASN A 55 11.383 -6.903 -18.408 1.00 0.00 N ATOM 835 CA ASN A 55 10.626 -5.794 -17.860 1.00 0.00 C ATOM 836 C ASN A 55 9.450 -6.319 -17.052 1.00 0.00 C ATOM 837 O ASN A 55 8.793 -7.285 -17.452 1.00 0.00 O ATOM 838 CB ASN A 55 10.141 -4.871 -18.982 1.00 0.00 C ATOM 839 CG ASN A 55 9.464 -3.619 -18.456 1.00 0.00 C ATOM 840 OD1 ASN A 55 8.244 -3.568 -18.316 1.00 0.00 O ATOM 841 ND2 ASN A 55 10.254 -2.606 -18.145 1.00 0.00 N ATOM 0 H ASN A 55 10.817 -7.613 -18.871 1.00 0.00 H new ATOM 0 HA ASN A 55 11.273 -5.216 -17.200 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.989 -4.587 -19.605 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.445 -5.415 -19.620 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.855 -1.743 -17.774 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.262 -2.687 -18.276 1.00 0.00 H new ATOM 848 N SER A 56 9.208 -5.698 -15.907 1.00 0.00 N ATOM 849 CA SER A 56 8.132 -6.116 -15.024 1.00 0.00 C ATOM 850 C SER A 56 6.779 -5.870 -15.682 1.00 0.00 C ATOM 851 O SER A 56 6.600 -4.895 -16.413 1.00 0.00 O ATOM 852 CB SER A 56 8.198 -5.352 -13.704 1.00 0.00 C ATOM 853 OG SER A 56 9.537 -5.228 -13.242 1.00 0.00 O ATOM 0 H SER A 56 9.745 -4.900 -15.568 1.00 0.00 H new ATOM 0 HA SER A 56 8.249 -7.182 -14.828 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.763 -4.361 -13.833 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.599 -5.867 -12.953 1.00 0.00 H new ATOM 0 HG SER A 56 9.547 -4.733 -12.396 1.00 0.00 H new ATOM 859 N GLY A 57 5.832 -6.735 -15.390 1.00 0.00 N ATOM 860 CA GLY A 57 4.528 -6.633 -16.003 1.00 0.00 C ATOM 861 C GLY A 57 3.530 -5.975 -15.081 1.00 0.00 C ATOM 862 O GLY A 57 3.900 -5.496 -14.006 1.00 0.00 O ATOM 0 H GLY A 57 5.940 -7.511 -14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.604 -6.060 -16.927 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.174 -7.628 -16.273 1.00 0.00 H new ATOM 866 N LEU A 58 2.273 -5.956 -15.484 1.00 0.00 N ATOM 867 CA LEU A 58 1.230 -5.318 -14.699 1.00 0.00 C ATOM 868 C LEU A 58 0.137 -6.309 -14.350 1.00 0.00 C ATOM 869 O LEU A 58 -0.414 -6.978 -15.228 1.00 0.00 O ATOM 870 CB LEU A 58 0.632 -4.137 -15.463 1.00 0.00 C ATOM 871 CG LEU A 58 1.594 -2.983 -15.725 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.908 -1.896 -16.535 1.00 0.00 C ATOM 873 CD2 LEU A 58 2.127 -2.416 -14.416 1.00 0.00 C ATOM 0 H LEU A 58 1.948 -6.377 -16.354 1.00 0.00 H new ATOM 0 HA LEU A 58 1.680 -4.953 -13.776 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.252 -4.497 -16.419 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.223 -3.757 -14.903 1.00 0.00 H new ATOM 0 HG LEU A 58 2.438 -3.365 -16.299 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.607 -1.079 -16.714 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.578 -2.307 -17.489 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.046 -1.521 -15.984 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.811 -1.594 -14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.296 -2.050 -13.813 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.656 -3.197 -13.870 1.00 0.00 H new ATOM 885 N VAL A 59 -0.170 -6.399 -13.069 1.00 0.00 N ATOM 886 CA VAL A 59 -1.235 -7.262 -12.593 1.00 0.00 C ATOM 887 C VAL A 59 -2.285 -6.429 -11.876 1.00 0.00 C ATOM 888 O VAL A 59 -1.967 -5.407 -11.264 1.00 0.00 O ATOM 889 CB VAL A 59 -0.711 -8.363 -11.641 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.173 -9.339 -12.398 1.00 0.00 C ATOM 891 CG2 VAL A 59 0.037 -7.759 -10.460 1.00 0.00 C ATOM 0 H VAL A 59 0.309 -5.879 -12.333 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.672 -7.755 -13.461 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.569 -8.907 -11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.534 -10.108 -11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.402 -9.805 -13.198 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.022 -8.805 -12.825 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.393 -8.557 -9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.887 -7.181 -10.824 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.633 -7.106 -9.901 1.00 0.00 H new ATOM 901 N LYS A 60 -3.537 -6.840 -11.961 1.00 0.00 N ATOM 902 CA LYS A 60 -4.595 -6.083 -11.322 1.00 0.00 C ATOM 903 C LYS A 60 -5.150 -6.861 -10.140 1.00 0.00 C ATOM 904 O LYS A 60 -5.812 -7.886 -10.308 1.00 0.00 O ATOM 905 CB LYS A 60 -5.695 -5.743 -12.325 1.00 0.00 C ATOM 906 CG LYS A 60 -6.611 -4.623 -11.859 1.00 0.00 C ATOM 907 CD LYS A 60 -7.448 -4.077 -13.006 1.00 0.00 C ATOM 908 CE LYS A 60 -8.214 -2.835 -12.587 1.00 0.00 C ATOM 909 NZ LYS A 60 -8.964 -2.236 -13.724 1.00 0.00 N ATOM 0 H LYS A 60 -3.842 -7.678 -12.457 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.184 -5.144 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.237 -5.458 -13.272 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.292 -6.635 -12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.268 -4.992 -11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.015 -3.819 -11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.801 -3.840 -13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.147 -4.841 -13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.910 -3.090 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.519 -2.099 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.474 -1.390 -13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.298 -1.969 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.645 -2.929 -14.094 1.00 0.00 H new ATOM 923 N VAL A 61 -4.853 -6.380 -8.946 1.00 0.00 N ATOM 924 CA VAL A 61 -5.282 -7.044 -7.728 1.00 0.00 C ATOM 925 C VAL A 61 -6.664 -6.553 -7.321 1.00 0.00 C ATOM 926 O VAL A 61 -6.794 -5.539 -6.630 1.00 0.00 O ATOM 927 CB VAL A 61 -4.288 -6.810 -6.572 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.676 -7.623 -5.345 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.874 -7.145 -7.009 1.00 0.00 C ATOM 0 H VAL A 61 -4.314 -5.528 -8.794 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.319 -8.114 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.326 -5.754 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.959 -7.439 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.672 -7.329 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.676 -8.684 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.187 -6.974 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.825 -8.191 -7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.593 -6.511 -7.850 1.00 0.00 H new ATOM 939 N ASP A 62 -7.683 -7.250 -7.820 1.00 0.00 N ATOM 940 CA ASP A 62 -9.086 -6.975 -7.499 1.00 0.00 C ATOM 941 C ASP A 62 -9.559 -5.662 -8.114 1.00 0.00 C ATOM 942 O ASP A 62 -10.391 -5.656 -9.024 1.00 0.00 O ATOM 943 CB ASP A 62 -9.316 -6.973 -5.984 1.00 0.00 C ATOM 944 CG ASP A 62 -10.787 -6.955 -5.623 1.00 0.00 C ATOM 945 OD1 ASP A 62 -11.431 -8.021 -5.707 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.301 -5.885 -5.238 1.00 0.00 O ATOM 0 H ASP A 62 -7.559 -8.030 -8.465 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.679 -7.779 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.848 -7.855 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.827 -6.103 -5.546 1.00 0.00 H new ATOM 952 N GLY A 63 -9.023 -4.559 -7.623 1.00 0.00 N ATOM 953 CA GLY A 63 -9.409 -3.256 -8.124 1.00 0.00 C ATOM 954 C GLY A 63 -8.259 -2.262 -8.150 1.00 0.00 C ATOM 955 O GLY A 63 -8.476 -1.063 -8.327 1.00 0.00 O ATOM 0 H GLY A 63 -8.323 -4.541 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.810 -3.365 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.212 -2.858 -7.503 1.00 0.00 H new ATOM 959 N GLU A 64 -7.035 -2.746 -7.958 1.00 0.00 N ATOM 960 CA GLU A 64 -5.857 -1.890 -8.008 1.00 0.00 C ATOM 961 C GLU A 64 -4.842 -2.422 -9.018 1.00 0.00 C ATOM 962 O GLU A 64 -4.697 -3.634 -9.179 1.00 0.00 O ATOM 963 CB GLU A 64 -5.207 -1.797 -6.628 1.00 0.00 C ATOM 964 CG GLU A 64 -6.069 -1.115 -5.580 1.00 0.00 C ATOM 965 CD GLU A 64 -5.323 -0.868 -4.285 1.00 0.00 C ATOM 966 OE1 GLU A 64 -4.076 -0.866 -4.306 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.979 -0.642 -3.243 1.00 0.00 O ATOM 0 H GLU A 64 -6.835 -3.728 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.177 -0.896 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.964 -2.802 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.266 -1.255 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.430 -0.165 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.946 -1.731 -5.379 1.00 0.00 H new ATOM 975 N THR A 65 -4.149 -1.517 -9.701 1.00 0.00 N ATOM 976 CA THR A 65 -3.132 -1.908 -10.665 1.00 0.00 C ATOM 977 C THR A 65 -1.737 -1.804 -10.051 1.00 0.00 C ATOM 978 O THR A 65 -1.316 -0.733 -9.602 1.00 0.00 O ATOM 979 CB THR A 65 -3.192 -1.033 -11.930 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.542 -0.959 -12.412 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.295 -1.596 -13.027 1.00 0.00 C ATOM 0 H THR A 65 -4.274 -0.509 -9.604 1.00 0.00 H new ATOM 0 HA THR A 65 -3.332 -2.943 -10.943 1.00 0.00 H new ATOM 0 HB THR A 65 -2.839 -0.036 -11.667 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.572 -0.399 -13.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.356 -0.959 -13.909 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.264 -1.628 -12.673 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.623 -2.604 -13.283 1.00 0.00 H new ATOM 989 N TRP A 66 -1.034 -2.922 -10.032 1.00 0.00 N ATOM 990 CA TRP A 66 0.312 -2.984 -9.475 1.00 0.00 C ATOM 991 C TRP A 66 1.258 -3.647 -10.471 1.00 0.00 C ATOM 992 O TRP A 66 0.814 -4.280 -11.431 1.00 0.00 O ATOM 993 CB TRP A 66 0.319 -3.778 -8.161 1.00 0.00 C ATOM 994 CG TRP A 66 -0.425 -3.121 -7.035 1.00 0.00 C ATOM 995 CD1 TRP A 66 -1.779 -3.098 -6.847 1.00 0.00 C ATOM 996 CD2 TRP A 66 0.145 -2.406 -5.932 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.084 -2.399 -5.706 1.00 0.00 N ATOM 998 CE2 TRP A 66 -0.922 -1.966 -5.126 1.00 0.00 C ATOM 999 CE3 TRP A 66 1.451 -2.087 -5.548 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -0.724 -1.233 -3.960 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 1.646 -1.359 -4.389 1.00 0.00 C ATOM 1002 CH2 TRP A 66 0.564 -0.936 -3.609 1.00 0.00 C ATOM 0 H TRP A 66 -1.375 -3.810 -10.399 1.00 0.00 H new ATOM 0 HA TRP A 66 0.646 -1.966 -9.274 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.115 -4.761 -8.342 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.352 -3.938 -7.853 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.503 -3.562 -7.501 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.024 -2.230 -5.348 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.293 -2.404 -6.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -1.558 -0.910 -3.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.651 -1.112 -4.080 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.750 -0.364 -2.712 1.00 0.00 H new ATOM 1013 N ARG A 67 2.559 -3.502 -10.253 1.00 0.00 N ATOM 1014 CA ARG A 67 3.534 -4.181 -11.092 1.00 0.00 C ATOM 1015 C ARG A 67 3.759 -5.588 -10.574 1.00 0.00 C ATOM 1016 O ARG A 67 3.295 -5.939 -9.492 1.00 0.00 O ATOM 1017 CB ARG A 67 4.875 -3.435 -11.142 1.00 0.00 C ATOM 1018 CG ARG A 67 4.817 -2.095 -11.862 1.00 0.00 C ATOM 1019 CD ARG A 67 4.117 -1.034 -11.038 1.00 0.00 C ATOM 1020 NE ARG A 67 3.821 0.158 -11.829 1.00 0.00 N ATOM 1021 CZ ARG A 67 4.466 1.319 -11.718 1.00 0.00 C ATOM 1022 NH1 ARG A 67 5.494 1.448 -10.885 1.00 0.00 N ATOM 1023 NH2 ARG A 67 4.084 2.351 -12.458 1.00 0.00 N ATOM 0 H ARG A 67 2.959 -2.927 -9.511 1.00 0.00 H new ATOM 0 HA ARG A 67 3.132 -4.209 -12.105 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.226 -3.272 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.612 -4.068 -11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.830 -1.764 -12.093 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.297 -2.217 -12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.191 -1.441 -10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.744 -0.761 -10.189 1.00 0.00 H new ATOM 0 HE ARG A 67 3.068 0.097 -12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.797 0.653 -10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.980 2.342 -10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.302 2.253 -13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.572 3.243 -12.379 1.00 0.00 H new ATOM 1037 N ALA A 68 4.472 -6.388 -11.338 1.00 0.00 N ATOM 1038 CA ALA A 68 4.773 -7.747 -10.925 1.00 0.00 C ATOM 1039 C ALA A 68 6.075 -8.235 -11.539 1.00 0.00 C ATOM 1040 O ALA A 68 6.367 -7.960 -12.706 1.00 0.00 O ATOM 1041 CB ALA A 68 3.634 -8.679 -11.306 1.00 0.00 C ATOM 0 H ALA A 68 4.854 -6.124 -12.246 1.00 0.00 H new ATOM 0 HA ALA A 68 4.888 -7.749 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.874 -9.694 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.717 -8.353 -10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.493 -8.659 -12.387 1.00 0.00 H new ATOM 1047 N THR A 69 6.851 -8.953 -10.743 1.00 0.00 N ATOM 1048 CA THR A 69 8.089 -9.557 -11.203 1.00 0.00 C ATOM 1049 C THR A 69 8.025 -11.071 -11.049 1.00 0.00 C ATOM 1050 O THR A 69 7.592 -11.582 -10.012 1.00 0.00 O ATOM 1051 CB THR A 69 9.302 -9.010 -10.422 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.035 -9.049 -9.011 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.627 -7.584 -10.845 1.00 0.00 C ATOM 0 H THR A 69 6.640 -9.133 -9.761 1.00 0.00 H new ATOM 0 HA THR A 69 8.212 -9.302 -12.256 1.00 0.00 H new ATOM 0 HB THR A 69 10.163 -9.640 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.810 -8.702 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.486 -7.223 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.860 -7.564 -11.910 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.768 -6.942 -10.650 1.00 0.00 H new ATOM 1061 N SER A 70 8.441 -11.780 -12.084 1.00 0.00 N ATOM 1062 CA SER A 70 8.423 -13.229 -12.078 1.00 0.00 C ATOM 1063 C SER A 70 9.715 -13.762 -12.687 1.00 0.00 C ATOM 1064 O SER A 70 10.491 -13.003 -13.276 1.00 0.00 O ATOM 1065 CB SER A 70 7.207 -13.742 -12.865 1.00 0.00 C ATOM 1066 OG SER A 70 7.134 -15.157 -12.869 1.00 0.00 O ATOM 0 H SER A 70 8.798 -11.369 -12.946 1.00 0.00 H new ATOM 0 HA SER A 70 8.346 -13.584 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.295 -13.333 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.260 -13.379 -13.891 1.00 0.00 H new ATOM 0 HG SER A 70 6.447 -15.447 -13.504 1.00 0.00 H new ATOM 1072 N GLY A 71 9.943 -15.058 -12.536 1.00 0.00 N ATOM 1073 CA GLY A 71 11.111 -15.684 -13.124 1.00 0.00 C ATOM 1074 C GLY A 71 10.805 -16.246 -14.497 1.00 0.00 C ATOM 1075 O GLY A 71 11.711 -16.519 -15.287 1.00 0.00 O ATOM 0 H GLY A 71 9.337 -15.691 -12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.917 -14.955 -13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.464 -16.483 -12.472 1.00 0.00 H new ATOM 1079 N THR A 72 9.525 -16.423 -14.771 1.00 0.00 N ATOM 1080 CA THR A 72 9.066 -16.913 -16.053 1.00 0.00 C ATOM 1081 C THR A 72 8.240 -15.847 -16.761 1.00 0.00 C ATOM 1082 O THR A 72 7.752 -14.907 -16.126 1.00 0.00 O ATOM 1083 CB THR A 72 8.215 -18.181 -15.877 1.00 0.00 C ATOM 1084 OG1 THR A 72 7.259 -17.983 -14.824 1.00 0.00 O ATOM 1085 CG2 THR A 72 9.084 -19.393 -15.567 1.00 0.00 C ATOM 0 H THR A 72 8.775 -16.230 -14.107 1.00 0.00 H new ATOM 0 HA THR A 72 9.942 -17.153 -16.655 1.00 0.00 H new ATOM 0 HB THR A 72 7.692 -18.371 -16.814 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.718 -18.793 -14.717 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.452 -20.273 -15.448 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.785 -19.557 -16.386 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.638 -19.217 -14.645 1.00 0.00 H new ATOM 1093 N VAL A 73 8.090 -15.985 -18.069 1.00 0.00 N ATOM 1094 CA VAL A 73 7.300 -15.037 -18.832 1.00 0.00 C ATOM 1095 C VAL A 73 5.807 -15.321 -18.653 1.00 0.00 C ATOM 1096 O VAL A 73 5.324 -16.424 -18.926 1.00 0.00 O ATOM 1097 CB VAL A 73 7.678 -15.036 -20.336 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.498 -16.413 -20.963 1.00 0.00 C ATOM 1099 CG2 VAL A 73 6.867 -13.993 -21.091 1.00 0.00 C ATOM 0 H VAL A 73 8.502 -16.739 -18.619 1.00 0.00 H new ATOM 0 HA VAL A 73 7.522 -14.043 -18.444 1.00 0.00 H new ATOM 0 HB VAL A 73 8.734 -14.778 -20.409 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.773 -16.372 -22.017 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.136 -17.133 -20.450 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.456 -16.721 -20.871 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.146 -14.007 -22.144 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.805 -14.218 -20.994 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.068 -13.005 -20.676 1.00 0.00 H new ATOM 1109 N LEU A 74 5.091 -14.331 -18.155 1.00 0.00 N ATOM 1110 CA LEU A 74 3.660 -14.454 -17.933 1.00 0.00 C ATOM 1111 C LEU A 74 2.916 -13.552 -18.898 1.00 0.00 C ATOM 1112 O LEU A 74 3.150 -12.342 -18.940 1.00 0.00 O ATOM 1113 CB LEU A 74 3.312 -14.091 -16.489 1.00 0.00 C ATOM 1114 CG LEU A 74 4.059 -14.900 -15.425 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.758 -14.366 -14.034 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.691 -16.372 -15.518 1.00 0.00 C ATOM 0 H LEU A 74 5.480 -13.425 -17.894 1.00 0.00 H new ATOM 0 HA LEU A 74 3.360 -15.487 -18.108 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.522 -13.033 -16.335 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.240 -14.228 -16.343 1.00 0.00 H new ATOM 0 HG LEU A 74 5.129 -14.798 -15.608 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.299 -14.955 -13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.072 -13.324 -13.968 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.687 -14.435 -13.841 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.231 -16.931 -14.754 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.619 -16.489 -15.363 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.959 -16.752 -16.504 1.00 0.00 H new ATOM 1128 N ASP A 75 2.030 -14.143 -19.679 1.00 0.00 N ATOM 1129 CA ASP A 75 1.333 -13.409 -20.724 1.00 0.00 C ATOM 1130 C ASP A 75 -0.004 -12.892 -20.207 1.00 0.00 C ATOM 1131 O ASP A 75 -0.404 -13.186 -19.080 1.00 0.00 O ATOM 1132 CB ASP A 75 1.114 -14.303 -21.949 1.00 0.00 C ATOM 1133 CG ASP A 75 0.975 -13.515 -23.238 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -0.131 -13.005 -23.512 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.972 -13.414 -23.981 1.00 0.00 O ATOM 0 H ASP A 75 1.775 -15.128 -19.611 1.00 0.00 H new ATOM 0 HA ASP A 75 1.948 -12.558 -21.017 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.950 -14.996 -22.041 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.217 -14.904 -21.798 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.700 -12.152 -21.045 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.948 -11.509 -20.659 1.00 0.00 C ATOM 1143 C VAL A 76 -3.063 -12.536 -20.517 1.00 0.00 C ATOM 1144 O VAL A 76 -3.344 -13.301 -21.438 1.00 0.00 O ATOM 1145 CB VAL A 76 -2.368 -10.437 -21.684 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.633 -9.722 -21.231 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -1.239 -9.444 -21.911 1.00 0.00 C ATOM 0 H VAL A 76 -0.422 -11.977 -22.011 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.778 -11.025 -19.697 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.582 -10.934 -22.630 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.910 -8.970 -21.970 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.442 -10.445 -21.127 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.454 -9.238 -20.271 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.554 -8.695 -22.637 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.990 -8.954 -20.969 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.362 -9.970 -22.289 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.693 -12.549 -19.354 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.778 -13.474 -19.119 1.00 0.00 C ATOM 1159 C GLY A 77 -4.375 -14.623 -18.223 1.00 0.00 C ATOM 1160 O GLY A 77 -5.168 -15.538 -17.989 1.00 0.00 O ATOM 0 H GLY A 77 -3.472 -11.936 -18.569 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.614 -12.941 -18.667 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.129 -13.867 -20.073 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.142 -14.602 -17.741 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.690 -15.596 -16.801 1.00 0.00 C ATOM 1166 C GLU A 78 -3.165 -15.298 -15.387 1.00 0.00 C ATOM 1167 O GLU A 78 -3.575 -14.178 -15.071 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.178 -15.671 -16.816 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.625 -16.434 -17.993 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.165 -17.847 -18.073 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.894 -18.647 -17.152 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.862 -18.168 -19.056 1.00 0.00 O ATOM 0 H GLU A 78 -2.442 -13.904 -17.990 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.116 -16.552 -17.106 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.772 -14.659 -16.826 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.836 -16.143 -15.895 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.868 -15.903 -18.913 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.462 -16.467 -17.922 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.069 -16.314 -14.547 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.460 -16.215 -13.149 1.00 0.00 C ATOM 1182 C GLU A 79 -2.214 -16.327 -12.280 1.00 0.00 C ATOM 1183 O GLU A 79 -1.470 -17.309 -12.382 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.426 -17.343 -12.782 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.569 -17.541 -13.764 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.608 -16.441 -13.710 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.324 -16.341 -12.692 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -6.751 -15.704 -14.706 1.00 0.00 O ATOM 0 H GLU A 79 -2.717 -17.233 -14.814 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.956 -15.258 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.865 -18.274 -12.706 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.843 -17.140 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.164 -17.598 -14.774 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.052 -18.497 -13.560 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.965 -15.335 -11.442 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.782 -15.369 -10.596 1.00 0.00 C ATOM 1198 C VAL A 80 -1.144 -15.337 -9.117 1.00 0.00 C ATOM 1199 O VAL A 80 -2.151 -14.756 -8.721 1.00 0.00 O ATOM 1200 CB VAL A 80 0.191 -14.209 -10.911 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.714 -14.321 -12.332 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.478 -12.859 -10.695 1.00 0.00 C ATOM 0 H VAL A 80 -2.554 -14.510 -11.329 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.282 -16.312 -10.817 1.00 0.00 H new ATOM 0 HB VAL A 80 1.034 -14.282 -10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.397 -13.496 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.242 -15.267 -12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.121 -14.281 -13.031 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.229 -12.062 -10.924 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.345 -12.774 -11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.798 -12.773 -9.656 1.00 0.00 H new ATOM 1212 N SER A 81 -0.335 -16.003 -8.315 1.00 0.00 N ATOM 1213 CA SER A 81 -0.478 -15.946 -6.871 1.00 0.00 C ATOM 1214 C SER A 81 0.537 -14.973 -6.288 1.00 0.00 C ATOM 1215 O SER A 81 1.735 -15.082 -6.554 1.00 0.00 O ATOM 1216 CB SER A 81 -0.295 -17.335 -6.255 1.00 0.00 C ATOM 1217 OG SER A 81 -1.334 -18.213 -6.652 1.00 0.00 O ATOM 0 H SER A 81 0.431 -16.592 -8.640 1.00 0.00 H new ATOM 0 HA SER A 81 -1.483 -15.597 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.668 -17.746 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.279 -17.254 -5.168 1.00 0.00 H new ATOM 0 HG SER A 81 -1.191 -19.093 -6.246 1.00 0.00 H new ATOM 1223 N VAL A 82 0.054 -14.016 -5.512 1.00 0.00 N ATOM 1224 CA VAL A 82 0.925 -13.020 -4.906 1.00 0.00 C ATOM 1225 C VAL A 82 1.585 -13.579 -3.651 1.00 0.00 C ATOM 1226 O VAL A 82 0.916 -13.849 -2.649 1.00 0.00 O ATOM 1227 CB VAL A 82 0.154 -11.728 -4.548 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.105 -10.652 -4.041 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.644 -11.224 -5.742 1.00 0.00 C ATOM 0 H VAL A 82 -0.935 -13.907 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 82 1.690 -12.771 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.547 -11.965 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.540 -9.753 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.619 -11.012 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.838 -10.420 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.178 -10.315 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.034 -11.010 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.361 -11.986 -6.049 1.00 0.00 H new ATOM 1239 N LYS A 83 2.897 -13.761 -3.712 1.00 0.00 N ATOM 1240 CA LYS A 83 3.645 -14.288 -2.593 1.00 0.00 C ATOM 1241 C LYS A 83 4.032 -13.184 -1.623 1.00 0.00 C ATOM 1242 O LYS A 83 3.871 -13.335 -0.409 1.00 0.00 O ATOM 1243 CB LYS A 83 4.891 -15.000 -3.101 1.00 0.00 C ATOM 1244 CG LYS A 83 4.605 -16.307 -3.805 1.00 0.00 C ATOM 1245 CD LYS A 83 3.715 -17.167 -2.951 1.00 0.00 C ATOM 1246 CE LYS A 83 3.573 -18.577 -3.501 1.00 0.00 C ATOM 1247 NZ LYS A 83 4.844 -19.342 -3.399 1.00 0.00 N ATOM 0 H LYS A 83 3.463 -13.548 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 83 3.013 -14.997 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.422 -14.338 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.558 -15.190 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.126 -16.115 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.539 -16.830 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.120 -17.213 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.730 -16.707 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.788 -19.102 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.260 -18.530 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.632 -20.349 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.389 -19.228 -4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.401 -18.984 -2.597 1.00 0.00 H new ATOM 1261 N ALA A 84 4.534 -12.076 -2.161 1.00 0.00 N ATOM 1262 CA ALA A 84 4.962 -10.954 -1.339 1.00 0.00 C ATOM 1263 C ALA A 84 4.850 -9.646 -2.111 1.00 0.00 C ATOM 1264 O ALA A 84 4.835 -9.642 -3.343 1.00 0.00 O ATOM 1265 CB ALA A 84 6.391 -11.162 -0.861 1.00 0.00 C ATOM 0 H ALA A 84 4.653 -11.933 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 84 4.306 -10.898 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.696 -10.314 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.448 -12.076 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.054 -11.244 -1.722 1.00 0.00 H new ATOM 1271 N ILE A 85 4.777 -8.542 -1.385 1.00 0.00 N ATOM 1272 CA ILE A 85 4.711 -7.227 -2.003 1.00 0.00 C ATOM 1273 C ILE A 85 6.073 -6.547 -1.914 1.00 0.00 C ATOM 1274 O ILE A 85 6.702 -6.549 -0.858 1.00 0.00 O ATOM 1275 CB ILE A 85 3.636 -6.340 -1.335 1.00 0.00 C ATOM 1276 CG1 ILE A 85 2.269 -7.029 -1.419 1.00 0.00 C ATOM 1277 CG2 ILE A 85 3.585 -4.968 -1.997 1.00 0.00 C ATOM 1278 CD1 ILE A 85 1.149 -6.264 -0.750 1.00 0.00 C ATOM 0 H ILE A 85 4.762 -8.530 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 85 4.433 -7.359 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 85 3.897 -6.200 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.015 -7.181 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.343 -8.016 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.822 -4.358 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.555 -4.481 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.341 -5.082 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.217 -6.819 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.378 -6.135 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.044 -5.286 -1.221 1.00 0.00 H new ATOM 1290 N GLU A 86 6.527 -5.986 -3.023 1.00 0.00 N ATOM 1291 CA GLU A 86 7.842 -5.372 -3.088 1.00 0.00 C ATOM 1292 C GLU A 86 7.716 -3.926 -3.555 1.00 0.00 C ATOM 1293 O GLU A 86 7.919 -3.620 -4.731 1.00 0.00 O ATOM 1294 CB GLU A 86 8.740 -6.165 -4.044 1.00 0.00 C ATOM 1295 CG GLU A 86 10.192 -5.719 -4.052 1.00 0.00 C ATOM 1296 CD GLU A 86 10.871 -5.932 -2.718 1.00 0.00 C ATOM 1297 OE1 GLU A 86 11.058 -7.102 -2.324 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.247 -4.934 -2.072 1.00 0.00 O ATOM 0 H GLU A 86 6.000 -5.944 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 86 8.293 -5.381 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.698 -7.220 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.340 -6.079 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.733 -6.268 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.243 -4.663 -4.317 1.00 0.00 H new ATOM 1306 N GLY A 87 7.347 -3.045 -2.641 1.00 0.00 N ATOM 1307 CA GLY A 87 7.148 -1.655 -2.993 1.00 0.00 C ATOM 1308 C GLY A 87 5.876 -1.450 -3.783 1.00 0.00 C ATOM 1309 O GLY A 87 4.780 -1.694 -3.280 1.00 0.00 O ATOM 0 H GLY A 87 7.181 -3.267 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.113 -1.052 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.999 -1.303 -3.577 1.00 0.00 H new ATOM 1313 N VAL A 88 6.021 -1.013 -5.026 1.00 0.00 N ATOM 1314 CA VAL A 88 4.873 -0.787 -5.899 1.00 0.00 C ATOM 1315 C VAL A 88 4.748 -1.903 -6.932 1.00 0.00 C ATOM 1316 O VAL A 88 3.929 -1.836 -7.854 1.00 0.00 O ATOM 1317 CB VAL A 88 4.950 0.581 -6.615 1.00 0.00 C ATOM 1318 CG1 VAL A 88 4.872 1.720 -5.606 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.216 0.693 -7.451 1.00 0.00 C ATOM 0 H VAL A 88 6.923 -0.807 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 88 3.988 -0.785 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 88 4.096 0.655 -7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.928 2.674 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.930 1.660 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.702 1.642 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.243 1.665 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.088 0.589 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.225 -0.095 -8.204 1.00 0.00 H new ATOM 1329 N LYS A 89 5.562 -2.930 -6.771 1.00 0.00 N ATOM 1330 CA LYS A 89 5.478 -4.103 -7.615 1.00 0.00 C ATOM 1331 C LYS A 89 5.342 -5.344 -6.741 1.00 0.00 C ATOM 1332 O LYS A 89 5.742 -5.339 -5.582 1.00 0.00 O ATOM 1333 CB LYS A 89 6.706 -4.201 -8.523 1.00 0.00 C ATOM 1334 CG LYS A 89 8.018 -4.365 -7.782 1.00 0.00 C ATOM 1335 CD LYS A 89 9.202 -4.473 -8.737 1.00 0.00 C ATOM 1336 CE LYS A 89 9.505 -3.153 -9.433 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.042 -2.135 -8.493 1.00 0.00 N ATOM 0 H LYS A 89 6.291 -2.973 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 89 4.600 -4.026 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.576 -5.046 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.760 -3.304 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.166 -3.516 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.973 -5.257 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.083 -4.801 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.993 -5.237 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.226 -3.323 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.596 -2.772 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.391 -1.316 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.288 -1.828 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.823 -2.547 -7.944 1.00 0.00 H new ATOM 1351 N LEU A 90 4.761 -6.396 -7.285 1.00 0.00 N ATOM 1352 CA LEU A 90 4.491 -7.595 -6.510 1.00 0.00 C ATOM 1353 C LEU A 90 5.399 -8.742 -6.926 1.00 0.00 C ATOM 1354 O LEU A 90 5.809 -8.843 -8.085 1.00 0.00 O ATOM 1355 CB LEU A 90 3.034 -8.021 -6.686 1.00 0.00 C ATOM 1356 CG LEU A 90 1.998 -6.933 -6.418 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.600 -7.470 -6.648 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.131 -6.394 -5.004 1.00 0.00 C ATOM 0 H LEU A 90 4.466 -6.446 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 90 4.685 -7.359 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.900 -8.384 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.835 -8.860 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 90 2.178 -6.113 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.129 -6.683 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.504 -7.805 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.417 -8.308 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.382 -5.620 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.981 -7.204 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.126 -5.971 -4.868 1.00 0.00 H new ATOM 1370 N VAL A 91 5.705 -9.603 -5.970 1.00 0.00 N ATOM 1371 CA VAL A 91 6.427 -10.834 -6.246 1.00 0.00 C ATOM 1372 C VAL A 91 5.420 -11.958 -6.415 1.00 0.00 C ATOM 1373 O VAL A 91 4.800 -12.409 -5.444 1.00 0.00 O ATOM 1374 CB VAL A 91 7.420 -11.185 -5.114 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.211 -12.444 -5.450 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.361 -10.021 -4.839 1.00 0.00 C ATOM 0 H VAL A 91 5.462 -9.470 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 91 7.009 -10.699 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 91 6.841 -11.379 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.902 -12.668 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.525 -13.280 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.773 -12.286 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.050 -10.291 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.926 -9.789 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.782 -9.148 -4.539 1.00 0.00 H new ATOM 1386 N VAL A 92 5.230 -12.384 -7.650 1.00 0.00 N ATOM 1387 CA VAL A 92 4.179 -13.335 -7.968 1.00 0.00 C ATOM 1388 C VAL A 92 4.736 -14.529 -8.717 1.00 0.00 C ATOM 1389 O VAL A 92 5.820 -14.462 -9.295 1.00 0.00 O ATOM 1390 CB VAL A 92 3.062 -12.689 -8.820 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.392 -11.551 -8.066 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.610 -12.198 -10.153 1.00 0.00 C ATOM 0 H VAL A 92 5.789 -12.087 -8.450 1.00 0.00 H new ATOM 0 HA VAL A 92 3.755 -13.662 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 92 2.311 -13.453 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.610 -11.114 -8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.952 -11.934 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.133 -10.789 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.805 -11.748 -10.734 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.388 -11.456 -9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.030 -13.039 -10.706 1.00 0.00 H new ATOM 1402 N GLU A 93 3.988 -15.618 -8.698 1.00 0.00 N ATOM 1403 CA GLU A 93 4.350 -16.806 -9.449 1.00 0.00 C ATOM 1404 C GLU A 93 3.149 -17.296 -10.232 1.00 0.00 C ATOM 1405 O GLU A 93 2.007 -16.933 -9.923 1.00 0.00 O ATOM 1406 CB GLU A 93 4.863 -17.927 -8.537 1.00 0.00 C ATOM 1407 CG GLU A 93 6.130 -17.570 -7.778 1.00 0.00 C ATOM 1408 CD GLU A 93 6.677 -18.740 -6.986 1.00 0.00 C ATOM 1409 OE1 GLU A 93 7.522 -19.490 -7.524 1.00 0.00 O ATOM 1410 OE2 GLU A 93 6.265 -18.921 -5.821 1.00 0.00 O ATOM 0 H GLU A 93 3.121 -15.704 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 93 5.158 -16.537 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.083 -18.186 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.050 -18.816 -9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.887 -17.225 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.924 -16.741 -7.101 1.00 0.00 H new ATOM 1418 N LYS A 94 3.406 -18.121 -11.230 1.00 0.00 N ATOM 1419 CA LYS A 94 2.350 -18.665 -12.067 1.00 0.00 C ATOM 1420 C LYS A 94 1.570 -19.715 -11.290 1.00 0.00 C ATOM 1421 O LYS A 94 2.156 -20.517 -10.556 1.00 0.00 O ATOM 1422 CB LYS A 94 2.948 -19.291 -13.333 1.00 0.00 C ATOM 1423 CG LYS A 94 1.921 -19.819 -14.324 1.00 0.00 C ATOM 1424 CD LYS A 94 2.593 -20.650 -15.401 1.00 0.00 C ATOM 1425 CE LYS A 94 1.587 -21.293 -16.340 1.00 0.00 C ATOM 1426 NZ LYS A 94 1.042 -20.338 -17.345 1.00 0.00 N ATOM 0 H LYS A 94 4.344 -18.432 -11.483 1.00 0.00 H new ATOM 0 HA LYS A 94 1.677 -17.858 -12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.567 -18.546 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.607 -20.109 -13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.180 -20.423 -13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.387 -18.986 -14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.271 -20.018 -15.975 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.199 -21.426 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.062 -22.126 -16.858 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.765 -21.707 -15.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.704 -20.864 -18.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.252 -19.807 -16.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.789 -19.675 -17.635 1.00 0.00 H new ATOM 1440 N LEU A 95 0.254 -19.687 -11.426 1.00 0.00 N ATOM 1441 CA LEU A 95 -0.597 -20.706 -10.822 1.00 0.00 C ATOM 1442 C LEU A 95 -0.192 -22.097 -11.306 1.00 0.00 C ATOM 1443 O LEU A 95 0.324 -22.261 -12.415 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.067 -20.442 -11.148 1.00 0.00 C ATOM 1445 CG LEU A 95 -2.926 -19.951 -9.974 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -2.894 -20.952 -8.827 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -2.460 -18.588 -9.503 1.00 0.00 C ATOM 0 H LEU A 95 -0.250 -18.971 -11.949 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.468 -20.661 -9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.117 -19.702 -11.947 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.506 -21.361 -11.537 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.955 -19.861 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.509 -20.584 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.282 -21.911 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.867 -21.078 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.082 -18.258 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.422 -18.651 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.541 -17.873 -10.322 1.00 0.00 H new