USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.04 (180deg=-0.78!) USER MOD Single : A 48 MET CE :methyl -160:sc= -0.167 (180deg=-0.739) USER MOD Single : A 52 SER OG : rot 165:sc= -0.145 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= -0.01 (180deg=-0.0884) USER MOD Single : A 65 THR OG1 : rot 27:sc= 0.797 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -71:sc= 0.316 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 145:sc= 1.11 (180deg=0.419) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -2.102 -8.186 0.927 1.00 0.00 N ATOM 601 CA LEU A 40 -2.291 -8.738 -0.405 1.00 0.00 C ATOM 602 C LEU A 40 -1.627 -10.106 -0.540 1.00 0.00 C ATOM 603 O LEU A 40 -1.714 -10.746 -1.588 1.00 0.00 O ATOM 604 CB LEU A 40 -1.720 -7.780 -1.456 1.00 0.00 C ATOM 605 CG LEU A 40 -2.404 -6.415 -1.537 1.00 0.00 C ATOM 606 CD1 LEU A 40 -1.703 -5.524 -2.551 1.00 0.00 C ATOM 607 CD2 LEU A 40 -3.872 -6.576 -1.897 1.00 0.00 C ATOM 0 HA LEU A 40 -3.362 -8.862 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.662 -7.626 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.784 -8.259 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.338 -5.940 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.205 -4.557 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.664 -5.381 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.737 -5.994 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.343 -5.595 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.957 -7.072 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.370 -7.177 -1.136 1.00 0.00 H new ATOM 619 N ILE A 41 -0.976 -10.558 0.526 1.00 0.00 N ATOM 620 CA ILE A 41 -0.244 -11.815 0.490 1.00 0.00 C ATOM 621 C ILE A 41 -1.204 -12.994 0.386 1.00 0.00 C ATOM 622 O ILE A 41 -2.018 -13.234 1.283 1.00 0.00 O ATOM 623 CB ILE A 41 0.657 -11.988 1.733 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.610 -10.791 1.875 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.442 -13.291 1.645 1.00 0.00 C ATOM 626 CD1 ILE A 41 2.513 -10.583 0.676 1.00 0.00 C ATOM 0 H ILE A 41 -0.941 -10.073 1.423 1.00 0.00 H new ATOM 0 HA ILE A 41 0.394 -11.790 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 41 0.022 -12.029 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.022 -9.887 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.227 -10.933 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.071 -13.397 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.749 -14.130 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.068 -13.279 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.156 -9.720 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.128 -11.470 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.905 -10.409 -0.212 1.00 0.00 H new ATOM 638 N GLY A 42 -1.123 -13.712 -0.723 1.00 0.00 N ATOM 639 CA GLY A 42 -1.969 -14.867 -0.914 1.00 0.00 C ATOM 640 C GLY A 42 -3.150 -14.577 -1.815 1.00 0.00 C ATOM 641 O GLY A 42 -3.925 -15.475 -2.137 1.00 0.00 O ATOM 0 H GLY A 42 -0.485 -13.514 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.380 -15.678 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.331 -15.213 0.054 1.00 0.00 H new ATOM 645 N ARG A 43 -3.294 -13.322 -2.222 1.00 0.00 N ATOM 646 CA ARG A 43 -4.380 -12.936 -3.116 1.00 0.00 C ATOM 647 C ARG A 43 -4.086 -13.404 -4.534 1.00 0.00 C ATOM 648 O ARG A 43 -2.926 -13.617 -4.904 1.00 0.00 O ATOM 649 CB ARG A 43 -4.587 -11.418 -3.114 1.00 0.00 C ATOM 650 CG ARG A 43 -4.926 -10.830 -1.751 1.00 0.00 C ATOM 651 CD ARG A 43 -6.355 -11.132 -1.338 1.00 0.00 C ATOM 652 NE ARG A 43 -6.667 -10.561 -0.027 1.00 0.00 N ATOM 653 CZ ARG A 43 -7.729 -9.785 0.219 1.00 0.00 C ATOM 654 NH1 ARG A 43 -8.576 -9.480 -0.753 1.00 0.00 N ATOM 655 NH2 ARG A 43 -7.935 -9.307 1.438 1.00 0.00 N ATOM 0 H ARG A 43 -2.676 -12.557 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.292 -13.412 -2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.681 -10.940 -3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.388 -11.172 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.241 -11.230 -1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.777 -9.751 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.042 -10.732 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.507 -12.211 -1.311 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.036 -10.767 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.421 -9.837 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.384 -8.888 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.283 -9.531 2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.745 -8.716 1.624 1.00 0.00 H new ATOM 669 N LYS A 44 -5.134 -13.567 -5.322 1.00 0.00 N ATOM 670 CA LYS A 44 -4.996 -13.934 -6.708 1.00 0.00 C ATOM 671 C LYS A 44 -5.046 -12.695 -7.588 1.00 0.00 C ATOM 672 O LYS A 44 -5.660 -11.691 -7.225 1.00 0.00 O ATOM 673 CB LYS A 44 -6.110 -14.892 -7.105 1.00 0.00 C ATOM 674 CG LYS A 44 -5.779 -16.361 -6.889 1.00 0.00 C ATOM 675 CD LYS A 44 -6.785 -17.266 -7.589 1.00 0.00 C ATOM 676 CE LYS A 44 -6.748 -17.069 -9.099 1.00 0.00 C ATOM 677 NZ LYS A 44 -7.749 -17.912 -9.810 1.00 0.00 N ATOM 0 H LYS A 44 -6.099 -13.448 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.033 -14.426 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.006 -14.646 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.349 -14.736 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.777 -16.569 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.771 -16.581 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.569 -18.307 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.788 -17.055 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.932 -16.020 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.750 -17.306 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.053 -17.430 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.321 -18.828 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.572 -18.067 -9.194 1.00 0.00 H new ATOM 691 N GLY A 45 -4.399 -12.768 -8.735 1.00 0.00 N ATOM 692 CA GLY A 45 -4.411 -11.668 -9.666 1.00 0.00 C ATOM 693 C GLY A 45 -4.380 -12.150 -11.096 1.00 0.00 C ATOM 694 O GLY A 45 -4.174 -13.338 -11.355 1.00 0.00 O ATOM 0 H GLY A 45 -3.860 -13.579 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.304 -11.064 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.552 -11.024 -9.480 1.00 0.00 H new ATOM 698 N VAL A 46 -4.583 -11.234 -12.017 1.00 0.00 N ATOM 699 CA VAL A 46 -4.587 -11.551 -13.435 1.00 0.00 C ATOM 700 C VAL A 46 -3.544 -10.706 -14.158 1.00 0.00 C ATOM 701 O VAL A 46 -3.321 -9.547 -13.796 1.00 0.00 O ATOM 702 CB VAL A 46 -5.992 -11.323 -14.054 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.430 -9.877 -13.892 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.026 -11.736 -15.518 1.00 0.00 C ATOM 0 H VAL A 46 -4.750 -10.250 -11.809 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.337 -12.605 -13.553 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.696 -11.955 -13.513 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.417 -9.744 -14.334 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.470 -9.626 -12.832 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.717 -9.223 -14.393 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.024 -11.564 -15.922 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.301 -11.147 -16.079 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.778 -12.794 -15.603 1.00 0.00 H new ATOM 714 N VAL A 47 -2.901 -11.287 -15.161 1.00 0.00 N ATOM 715 CA VAL A 47 -1.840 -10.602 -15.891 1.00 0.00 C ATOM 716 C VAL A 47 -2.413 -9.727 -16.998 1.00 0.00 C ATOM 717 O VAL A 47 -2.976 -10.228 -17.974 1.00 0.00 O ATOM 718 CB VAL A 47 -0.839 -11.608 -16.497 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.297 -10.884 -17.210 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.294 -12.532 -15.420 1.00 0.00 C ATOM 0 H VAL A 47 -3.095 -12.233 -15.489 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.314 -9.970 -15.175 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.369 -12.212 -17.234 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.989 -11.615 -17.628 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.110 -10.269 -18.013 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.826 -10.249 -16.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.410 -13.235 -15.866 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.215 -11.942 -14.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.116 -13.083 -14.963 1.00 0.00 H new ATOM 730 N MET A 48 -2.260 -8.417 -16.832 1.00 0.00 N ATOM 731 CA MET A 48 -2.757 -7.446 -17.798 1.00 0.00 C ATOM 732 C MET A 48 -1.648 -7.033 -18.757 1.00 0.00 C ATOM 733 O MET A 48 -1.891 -6.754 -19.931 1.00 0.00 O ATOM 734 CB MET A 48 -3.291 -6.212 -17.067 1.00 0.00 C ATOM 735 CG MET A 48 -4.408 -6.515 -16.085 1.00 0.00 C ATOM 736 SD MET A 48 -5.864 -7.234 -16.875 1.00 0.00 S ATOM 737 CE MET A 48 -6.286 -5.950 -18.054 1.00 0.00 C ATOM 0 H MET A 48 -1.790 -8.001 -16.028 1.00 0.00 H new ATOM 0 HA MET A 48 -3.563 -7.906 -18.370 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.470 -5.735 -16.532 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.652 -5.494 -17.803 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.039 -7.201 -15.323 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.695 -5.596 -15.574 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.326 -6.064 -18.359 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.148 -4.972 -17.592 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.641 -6.033 -18.928 1.00 0.00 H new ATOM 747 N GLU A 49 -0.430 -6.980 -18.244 1.00 0.00 N ATOM 748 CA GLU A 49 0.733 -6.669 -19.058 1.00 0.00 C ATOM 749 C GLU A 49 1.739 -7.802 -18.941 1.00 0.00 C ATOM 750 O GLU A 49 2.035 -8.259 -17.838 1.00 0.00 O ATOM 751 CB GLU A 49 1.353 -5.336 -18.623 1.00 0.00 C ATOM 752 CG GLU A 49 2.603 -4.951 -19.402 1.00 0.00 C ATOM 753 CD GLU A 49 2.353 -4.805 -20.889 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.400 -5.827 -21.606 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.114 -3.671 -21.348 1.00 0.00 O ATOM 0 H GLU A 49 -0.220 -7.150 -17.260 1.00 0.00 H new ATOM 0 HA GLU A 49 0.432 -6.567 -20.101 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.609 -4.547 -18.736 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.601 -5.391 -17.563 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.993 -4.011 -19.011 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.372 -5.707 -19.241 1.00 0.00 H new ATOM 763 N ALA A 50 2.255 -8.240 -20.079 1.00 0.00 N ATOM 764 CA ALA A 50 3.096 -9.428 -20.146 1.00 0.00 C ATOM 765 C ALA A 50 4.328 -9.315 -19.257 1.00 0.00 C ATOM 766 O ALA A 50 5.020 -8.292 -19.251 1.00 0.00 O ATOM 767 CB ALA A 50 3.508 -9.699 -21.581 1.00 0.00 C ATOM 0 H ALA A 50 2.104 -7.785 -20.979 1.00 0.00 H new ATOM 0 HA ALA A 50 2.504 -10.264 -19.774 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.136 -10.589 -21.617 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.619 -9.857 -22.191 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.066 -8.846 -21.967 1.00 0.00 H new ATOM 773 N ILE A 51 4.595 -10.378 -18.516 1.00 0.00 N ATOM 774 CA ILE A 51 5.727 -10.430 -17.605 1.00 0.00 C ATOM 775 C ILE A 51 6.760 -11.425 -18.117 1.00 0.00 C ATOM 776 O ILE A 51 6.410 -12.502 -18.594 1.00 0.00 O ATOM 777 CB ILE A 51 5.288 -10.855 -16.182 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.202 -9.919 -15.655 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.475 -10.870 -15.228 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.587 -10.369 -14.348 1.00 0.00 C ATOM 0 H ILE A 51 4.033 -11.229 -18.529 1.00 0.00 H new ATOM 0 HA ILE A 51 6.157 -9.430 -17.556 1.00 0.00 H new ATOM 0 HB ILE A 51 4.883 -11.865 -16.243 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.627 -8.924 -15.522 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.415 -9.832 -16.405 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.140 -11.172 -14.235 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.223 -11.576 -15.589 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.913 -9.873 -15.176 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.825 -9.653 -14.039 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.131 -11.350 -14.479 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.361 -10.428 -13.583 1.00 0.00 H new ATOM 792 N SER A 52 8.027 -11.062 -18.026 1.00 0.00 N ATOM 793 CA SER A 52 9.099 -11.950 -18.426 1.00 0.00 C ATOM 794 C SER A 52 10.104 -12.104 -17.291 1.00 0.00 C ATOM 795 O SER A 52 10.083 -11.332 -16.333 1.00 0.00 O ATOM 796 CB SER A 52 9.790 -11.418 -19.685 1.00 0.00 C ATOM 797 OG SER A 52 10.051 -10.031 -19.581 1.00 0.00 O ATOM 0 H SER A 52 8.337 -10.155 -17.677 1.00 0.00 H new ATOM 0 HA SER A 52 8.677 -12.929 -18.653 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.725 -11.955 -19.844 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.162 -11.608 -20.555 1.00 0.00 H new ATOM 0 HG SER A 52 10.694 -9.766 -20.272 1.00 0.00 H new ATOM 803 N PRO A 53 10.994 -13.104 -17.380 1.00 0.00 N ATOM 804 CA PRO A 53 12.055 -13.315 -16.387 1.00 0.00 C ATOM 805 C PRO A 53 13.055 -12.157 -16.333 1.00 0.00 C ATOM 806 O PRO A 53 14.021 -12.197 -15.572 1.00 0.00 O ATOM 807 CB PRO A 53 12.764 -14.588 -16.863 1.00 0.00 C ATOM 808 CG PRO A 53 11.832 -15.232 -17.832 1.00 0.00 C ATOM 809 CD PRO A 53 11.019 -14.126 -18.438 1.00 0.00 C ATOM 0 HA PRO A 53 11.640 -13.389 -15.382 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.717 -14.352 -17.335 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.979 -15.252 -16.026 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.384 -15.774 -18.600 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.190 -15.956 -17.330 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.475 -13.747 -19.353 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.015 -14.461 -18.697 1.00 0.00 H new ATOM 817 N GLN A 54 12.814 -11.128 -17.137 1.00 0.00 N ATOM 818 CA GLN A 54 13.708 -9.986 -17.223 1.00 0.00 C ATOM 819 C GLN A 54 12.930 -8.675 -17.098 1.00 0.00 C ATOM 820 O GLN A 54 13.263 -7.818 -16.277 1.00 0.00 O ATOM 821 CB GLN A 54 14.471 -10.031 -18.551 1.00 0.00 C ATOM 822 CG GLN A 54 15.460 -8.894 -18.737 1.00 0.00 C ATOM 823 CD GLN A 54 16.242 -9.013 -20.029 1.00 0.00 C ATOM 824 OE1 GLN A 54 15.826 -8.507 -21.074 1.00 0.00 O ATOM 825 NE2 GLN A 54 17.383 -9.678 -19.972 1.00 0.00 N ATOM 0 H GLN A 54 11.997 -11.064 -17.744 1.00 0.00 H new ATOM 0 HA GLN A 54 14.419 -10.033 -16.398 1.00 0.00 H new ATOM 0 HB2 GLN A 54 15.006 -10.978 -18.618 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.753 -10.012 -19.371 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.924 -7.945 -18.726 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.153 -8.878 -17.896 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.694 -10.082 -19.089 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.952 -9.787 -20.811 1.00 0.00 H new ATOM 834 N ASN A 55 11.882 -8.529 -17.901 1.00 0.00 N ATOM 835 CA ASN A 55 11.080 -7.312 -17.902 1.00 0.00 C ATOM 836 C ASN A 55 9.815 -7.510 -17.071 1.00 0.00 C ATOM 837 O ASN A 55 9.109 -8.508 -17.227 1.00 0.00 O ATOM 838 CB ASN A 55 10.717 -6.925 -19.340 1.00 0.00 C ATOM 839 CG ASN A 55 9.882 -5.660 -19.433 1.00 0.00 C ATOM 840 OD1 ASN A 55 10.018 -4.739 -18.623 1.00 0.00 O ATOM 841 ND2 ASN A 55 9.012 -5.610 -20.428 1.00 0.00 N ATOM 0 H ASN A 55 11.568 -9.240 -18.561 1.00 0.00 H new ATOM 0 HA ASN A 55 11.663 -6.506 -17.457 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.634 -6.789 -19.914 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.170 -7.747 -19.802 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.421 -4.787 -20.548 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.932 -6.394 -21.075 1.00 0.00 H new ATOM 848 N SER A 56 9.532 -6.557 -16.194 1.00 0.00 N ATOM 849 CA SER A 56 8.378 -6.644 -15.307 1.00 0.00 C ATOM 850 C SER A 56 7.080 -6.380 -16.070 1.00 0.00 C ATOM 851 O SER A 56 7.099 -5.864 -17.188 1.00 0.00 O ATOM 852 CB SER A 56 8.536 -5.638 -14.169 1.00 0.00 C ATOM 853 OG SER A 56 9.798 -5.785 -13.538 1.00 0.00 O ATOM 0 H SER A 56 10.088 -5.710 -16.077 1.00 0.00 H new ATOM 0 HA SER A 56 8.326 -7.653 -14.897 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.434 -4.624 -14.557 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.740 -5.781 -13.438 1.00 0.00 H new ATOM 0 HG SER A 56 9.880 -5.130 -12.813 1.00 0.00 H new ATOM 859 N GLY A 57 5.956 -6.730 -15.460 1.00 0.00 N ATOM 860 CA GLY A 57 4.674 -6.505 -16.092 1.00 0.00 C ATOM 861 C GLY A 57 3.662 -5.919 -15.131 1.00 0.00 C ATOM 862 O GLY A 57 4.029 -5.407 -14.072 1.00 0.00 O ATOM 0 H GLY A 57 5.910 -7.166 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.801 -5.831 -16.940 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.295 -7.447 -16.488 1.00 0.00 H new ATOM 866 N LEU A 58 2.388 -6.010 -15.489 1.00 0.00 N ATOM 867 CA LEU A 58 1.317 -5.430 -14.690 1.00 0.00 C ATOM 868 C LEU A 58 0.219 -6.452 -14.447 1.00 0.00 C ATOM 869 O LEU A 58 -0.244 -7.112 -15.380 1.00 0.00 O ATOM 870 CB LEU A 58 0.724 -4.200 -15.386 1.00 0.00 C ATOM 871 CG LEU A 58 1.665 -3.011 -15.540 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.994 -1.908 -16.341 1.00 0.00 C ATOM 873 CD2 LEU A 58 2.094 -2.490 -14.177 1.00 0.00 C ATOM 0 H LEU A 58 2.070 -6.484 -16.334 1.00 0.00 H new ATOM 0 HA LEU A 58 1.742 -5.126 -13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.378 -4.497 -16.376 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.153 -3.876 -14.826 1.00 0.00 H new ATOM 0 HG LEU A 58 2.554 -3.341 -16.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.678 -1.065 -16.443 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.732 -2.284 -17.330 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.091 -1.582 -15.826 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.766 -1.641 -14.307 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.215 -2.175 -13.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.609 -3.280 -13.631 1.00 0.00 H new ATOM 885 N VAL A 59 -0.195 -6.579 -13.198 1.00 0.00 N ATOM 886 CA VAL A 59 -1.288 -7.469 -12.846 1.00 0.00 C ATOM 887 C VAL A 59 -2.354 -6.700 -12.085 1.00 0.00 C ATOM 888 O VAL A 59 -2.064 -5.672 -11.476 1.00 0.00 O ATOM 889 CB VAL A 59 -0.813 -8.667 -11.989 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.174 -9.531 -12.764 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.205 -8.191 -10.677 1.00 0.00 C ATOM 0 H VAL A 59 0.210 -6.076 -12.409 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.697 -7.864 -13.776 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.684 -9.278 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.494 -10.366 -12.141 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.306 -9.913 -13.665 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.042 -8.933 -13.041 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.121 -9.052 -10.093 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.651 -7.548 -10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.951 -7.631 -10.112 1.00 0.00 H new ATOM 901 N LYS A 60 -3.584 -7.177 -12.136 1.00 0.00 N ATOM 902 CA LYS A 60 -4.657 -6.569 -11.366 1.00 0.00 C ATOM 903 C LYS A 60 -5.002 -7.465 -10.186 1.00 0.00 C ATOM 904 O LYS A 60 -5.378 -8.625 -10.365 1.00 0.00 O ATOM 905 CB LYS A 60 -5.890 -6.317 -12.241 1.00 0.00 C ATOM 906 CG LYS A 60 -7.022 -5.606 -11.508 1.00 0.00 C ATOM 907 CD LYS A 60 -8.156 -5.218 -12.447 1.00 0.00 C ATOM 908 CE LYS A 60 -8.785 -6.433 -13.112 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.411 -7.360 -12.130 1.00 0.00 N ATOM 0 H LYS A 60 -3.866 -7.980 -12.699 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.320 -5.602 -10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.597 -5.721 -13.105 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.257 -7.270 -12.621 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.408 -6.255 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.633 -4.712 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.919 -4.674 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.777 -4.541 -13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.539 -6.103 -13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.023 -6.969 -13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.940 -8.098 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.670 -7.803 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.060 -6.828 -11.516 1.00 0.00 H new ATOM 923 N VAL A 61 -4.848 -6.927 -8.986 1.00 0.00 N ATOM 924 CA VAL A 61 -5.081 -7.681 -7.768 1.00 0.00 C ATOM 925 C VAL A 61 -6.151 -6.998 -6.927 1.00 0.00 C ATOM 926 O VAL A 61 -6.016 -5.817 -6.585 1.00 0.00 O ATOM 927 CB VAL A 61 -3.789 -7.820 -6.933 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.045 -8.618 -5.663 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.683 -8.465 -7.752 1.00 0.00 C ATOM 0 H VAL A 61 -4.560 -5.961 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.415 -8.678 -8.056 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.466 -6.819 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.120 -8.701 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.798 -8.111 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.401 -9.614 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.783 -8.552 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.000 -9.457 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.471 -7.849 -8.626 1.00 0.00 H new ATOM 939 N ASP A 62 -7.215 -7.744 -6.629 1.00 0.00 N ATOM 940 CA ASP A 62 -8.324 -7.270 -5.800 1.00 0.00 C ATOM 941 C ASP A 62 -9.146 -6.216 -6.529 1.00 0.00 C ATOM 942 O ASP A 62 -10.217 -6.511 -7.067 1.00 0.00 O ATOM 943 CB ASP A 62 -7.819 -6.733 -4.453 1.00 0.00 C ATOM 944 CG ASP A 62 -8.946 -6.348 -3.518 1.00 0.00 C ATOM 945 OD1 ASP A 62 -9.230 -5.141 -3.378 1.00 0.00 O ATOM 946 OD2 ASP A 62 -9.555 -7.258 -2.919 1.00 0.00 O ATOM 0 H ASP A 62 -7.333 -8.702 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.973 -8.123 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.198 -7.490 -3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.184 -5.864 -4.628 1.00 0.00 H new ATOM 952 N GLY A 63 -8.635 -5.000 -6.562 1.00 0.00 N ATOM 953 CA GLY A 63 -9.333 -3.918 -7.224 1.00 0.00 C ATOM 954 C GLY A 63 -8.398 -2.936 -7.905 1.00 0.00 C ATOM 955 O GLY A 63 -8.853 -2.000 -8.562 1.00 0.00 O ATOM 0 H GLY A 63 -7.744 -4.739 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.016 -4.334 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.941 -3.385 -6.493 1.00 0.00 H new ATOM 959 N GLU A 64 -7.094 -3.139 -7.753 1.00 0.00 N ATOM 960 CA GLU A 64 -6.111 -2.249 -8.344 1.00 0.00 C ATOM 961 C GLU A 64 -5.091 -3.031 -9.154 1.00 0.00 C ATOM 962 O GLU A 64 -4.869 -4.216 -8.906 1.00 0.00 O ATOM 963 CB GLU A 64 -5.387 -1.451 -7.264 1.00 0.00 C ATOM 964 CG GLU A 64 -6.254 -0.404 -6.595 1.00 0.00 C ATOM 965 CD GLU A 64 -5.454 0.551 -5.734 1.00 0.00 C ATOM 966 OE1 GLU A 64 -5.482 0.404 -4.494 1.00 0.00 O ATOM 967 OE2 GLU A 64 -4.804 1.465 -6.290 1.00 0.00 O ATOM 0 H GLU A 64 -6.696 -3.915 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.643 -1.563 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.013 -2.139 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.519 -0.962 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.788 0.162 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.006 -0.899 -5.980 1.00 0.00 H new ATOM 975 N THR A 65 -4.486 -2.373 -10.128 1.00 0.00 N ATOM 976 CA THR A 65 -3.410 -2.975 -10.887 1.00 0.00 C ATOM 977 C THR A 65 -2.063 -2.514 -10.332 1.00 0.00 C ATOM 978 O THR A 65 -1.871 -1.336 -10.024 1.00 0.00 O ATOM 979 CB THR A 65 -3.514 -2.662 -12.402 1.00 0.00 C ATOM 980 OG1 THR A 65 -2.488 -3.358 -13.123 1.00 0.00 O ATOM 981 CG2 THR A 65 -3.406 -1.167 -12.672 1.00 0.00 C ATOM 0 H THR A 65 -4.724 -1.422 -10.410 1.00 0.00 H new ATOM 0 HA THR A 65 -3.494 -4.057 -10.781 1.00 0.00 H new ATOM 0 HB THR A 65 -4.493 -3.000 -12.743 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.232 -4.165 -12.630 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.483 -0.984 -13.744 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.212 -0.645 -12.156 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.446 -0.800 -12.310 1.00 0.00 H new ATOM 989 N TRP A 66 -1.148 -3.452 -10.176 1.00 0.00 N ATOM 990 CA TRP A 66 0.154 -3.165 -9.598 1.00 0.00 C ATOM 991 C TRP A 66 1.254 -3.688 -10.512 1.00 0.00 C ATOM 992 O TRP A 66 0.991 -4.494 -11.410 1.00 0.00 O ATOM 993 CB TRP A 66 0.290 -3.822 -8.217 1.00 0.00 C ATOM 994 CG TRP A 66 -0.813 -3.480 -7.255 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.043 -4.067 -7.183 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.778 -2.496 -6.218 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.779 -3.502 -6.172 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.025 -2.536 -5.562 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.184 -1.583 -5.778 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.333 -1.700 -4.492 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 -0.121 -0.752 -4.716 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.371 -0.817 -4.083 1.00 0.00 C ATOM 0 H TRP A 66 -1.283 -4.427 -10.443 1.00 0.00 H new ATOM 0 HA TRP A 66 0.249 -2.085 -9.488 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.322 -4.904 -8.345 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.243 -3.525 -7.779 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.387 -4.861 -7.828 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.732 -3.760 -5.917 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.149 -1.527 -6.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.295 -1.747 -4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.615 -0.042 -4.368 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.579 -0.156 -3.255 1.00 0.00 H new ATOM 1013 N ARG A 67 2.479 -3.233 -10.284 1.00 0.00 N ATOM 1014 CA ARG A 67 3.620 -3.746 -11.027 1.00 0.00 C ATOM 1015 C ARG A 67 4.011 -5.087 -10.457 1.00 0.00 C ATOM 1016 O ARG A 67 4.036 -5.271 -9.241 1.00 0.00 O ATOM 1017 CB ARG A 67 4.824 -2.801 -10.967 1.00 0.00 C ATOM 1018 CG ARG A 67 4.604 -1.457 -11.639 1.00 0.00 C ATOM 1019 CD ARG A 67 3.734 -0.557 -10.789 1.00 0.00 C ATOM 1020 NE ARG A 67 3.695 0.816 -11.293 1.00 0.00 N ATOM 1021 CZ ARG A 67 4.084 1.885 -10.593 1.00 0.00 C ATOM 1022 NH1 ARG A 67 4.579 1.739 -9.368 1.00 0.00 N ATOM 1023 NH2 ARG A 67 3.984 3.098 -11.129 1.00 0.00 N ATOM 0 H ARG A 67 2.706 -2.515 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 67 3.326 -3.837 -12.073 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.086 -2.632 -9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.678 -3.291 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.565 -0.975 -11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.136 -1.606 -12.612 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.721 -0.959 -10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.108 -0.555 -9.765 1.00 0.00 H new ATOM 0 HE ARG A 67 3.348 0.967 -12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.663 0.808 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.875 2.558 -8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.611 3.210 -12.072 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.280 3.917 -10.597 1.00 0.00 H new ATOM 1037 N ALA A 68 4.326 -6.012 -11.328 1.00 0.00 N ATOM 1038 CA ALA A 68 4.605 -7.375 -10.915 1.00 0.00 C ATOM 1039 C ALA A 68 5.882 -7.899 -11.539 1.00 0.00 C ATOM 1040 O ALA A 68 6.202 -7.587 -12.689 1.00 0.00 O ATOM 1041 CB ALA A 68 3.441 -8.282 -11.267 1.00 0.00 C ATOM 0 H ALA A 68 4.397 -5.851 -12.333 1.00 0.00 H new ATOM 0 HA ALA A 68 4.741 -7.370 -9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.665 -9.301 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.542 -7.934 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.279 -8.264 -12.345 1.00 0.00 H new ATOM 1047 N THR A 69 6.604 -8.700 -10.774 1.00 0.00 N ATOM 1048 CA THR A 69 7.819 -9.326 -11.260 1.00 0.00 C ATOM 1049 C THR A 69 7.744 -10.835 -11.060 1.00 0.00 C ATOM 1050 O THR A 69 7.108 -11.311 -10.115 1.00 0.00 O ATOM 1051 CB THR A 69 9.058 -8.789 -10.530 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.756 -7.519 -9.942 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.229 -8.634 -11.486 1.00 0.00 C ATOM 0 H THR A 69 6.367 -8.932 -9.809 1.00 0.00 H new ATOM 0 HA THR A 69 7.909 -9.091 -12.321 1.00 0.00 H new ATOM 0 HB THR A 69 9.335 -9.503 -9.755 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.547 -7.178 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.094 -8.252 -10.943 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.473 -9.603 -11.922 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.961 -7.936 -12.279 1.00 0.00 H new ATOM 1061 N SER A 70 8.392 -11.575 -11.944 1.00 0.00 N ATOM 1062 CA SER A 70 8.359 -13.031 -11.911 1.00 0.00 C ATOM 1063 C SER A 70 9.597 -13.598 -12.604 1.00 0.00 C ATOM 1064 O SER A 70 10.123 -12.995 -13.541 1.00 0.00 O ATOM 1065 CB SER A 70 7.100 -13.547 -12.611 1.00 0.00 C ATOM 1066 OG SER A 70 5.924 -13.072 -11.977 1.00 0.00 O ATOM 0 H SER A 70 8.954 -11.188 -12.702 1.00 0.00 H new ATOM 0 HA SER A 70 8.348 -13.355 -10.870 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.106 -13.230 -13.654 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.101 -14.637 -12.609 1.00 0.00 H new ATOM 0 HG SER A 70 5.815 -13.520 -11.112 1.00 0.00 H new ATOM 1072 N GLY A 71 10.061 -14.751 -12.136 1.00 0.00 N ATOM 1073 CA GLY A 71 11.216 -15.393 -12.744 1.00 0.00 C ATOM 1074 C GLY A 71 10.844 -16.276 -13.919 1.00 0.00 C ATOM 1075 O GLY A 71 11.686 -17.002 -14.452 1.00 0.00 O ATOM 0 H GLY A 71 9.659 -15.255 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.918 -14.628 -13.077 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.731 -15.992 -11.993 1.00 0.00 H new ATOM 1079 N THR A 72 9.584 -16.213 -14.322 1.00 0.00 N ATOM 1080 CA THR A 72 9.094 -16.982 -15.455 1.00 0.00 C ATOM 1081 C THR A 72 8.306 -16.065 -16.391 1.00 0.00 C ATOM 1082 O THR A 72 8.001 -14.926 -16.039 1.00 0.00 O ATOM 1083 CB THR A 72 8.192 -18.146 -14.989 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.670 -18.665 -13.739 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.163 -19.274 -16.014 1.00 0.00 C ATOM 0 H THR A 72 8.876 -15.630 -13.875 1.00 0.00 H new ATOM 0 HA THR A 72 9.951 -17.403 -15.981 1.00 0.00 H new ATOM 0 HB THR A 72 7.181 -17.754 -14.873 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.093 -19.402 -13.448 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.519 -20.076 -15.654 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.777 -18.896 -16.960 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.173 -19.658 -16.162 1.00 0.00 H new ATOM 1093 N VAL A 73 7.983 -16.559 -17.575 1.00 0.00 N ATOM 1094 CA VAL A 73 7.243 -15.772 -18.549 1.00 0.00 C ATOM 1095 C VAL A 73 5.735 -15.916 -18.331 1.00 0.00 C ATOM 1096 O VAL A 73 5.202 -17.027 -18.269 1.00 0.00 O ATOM 1097 CB VAL A 73 7.617 -16.161 -20.003 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.412 -17.650 -20.247 1.00 0.00 C ATOM 1099 CG2 VAL A 73 6.818 -15.337 -21.003 1.00 0.00 C ATOM 0 H VAL A 73 8.221 -17.501 -17.885 1.00 0.00 H new ATOM 0 HA VAL A 73 7.520 -14.728 -18.401 1.00 0.00 H new ATOM 0 HB VAL A 73 8.676 -15.943 -20.144 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.683 -17.891 -21.275 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.040 -18.221 -19.563 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.366 -17.906 -20.078 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.096 -15.626 -22.017 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.753 -15.516 -20.854 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.032 -14.278 -20.856 1.00 0.00 H new ATOM 1109 N LEU A 74 5.058 -14.789 -18.191 1.00 0.00 N ATOM 1110 CA LEU A 74 3.617 -14.772 -17.985 1.00 0.00 C ATOM 1111 C LEU A 74 2.960 -13.886 -19.026 1.00 0.00 C ATOM 1112 O LEU A 74 3.220 -12.684 -19.088 1.00 0.00 O ATOM 1113 CB LEU A 74 3.282 -14.255 -16.588 1.00 0.00 C ATOM 1114 CG LEU A 74 3.949 -15.010 -15.437 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.649 -14.334 -14.111 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.490 -16.457 -15.413 1.00 0.00 C ATOM 0 H LEU A 74 5.487 -13.864 -18.216 1.00 0.00 H new ATOM 0 HA LEU A 74 3.240 -15.790 -18.082 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.570 -13.205 -16.528 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.201 -14.298 -16.452 1.00 0.00 H new ATOM 0 HG LEU A 74 5.027 -14.994 -15.594 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.132 -14.885 -13.304 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.028 -13.312 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.572 -14.319 -13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.975 -16.979 -14.588 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.409 -16.494 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.757 -16.939 -16.354 1.00 0.00 H new ATOM 1128 N ASP A 75 2.114 -14.482 -19.843 1.00 0.00 N ATOM 1129 CA ASP A 75 1.460 -13.764 -20.926 1.00 0.00 C ATOM 1130 C ASP A 75 0.155 -13.147 -20.435 1.00 0.00 C ATOM 1131 O ASP A 75 -0.245 -13.349 -19.288 1.00 0.00 O ATOM 1132 CB ASP A 75 1.200 -14.712 -22.097 1.00 0.00 C ATOM 1133 CG ASP A 75 0.959 -13.989 -23.404 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -0.172 -14.046 -23.918 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.909 -13.372 -23.931 1.00 0.00 O ATOM 0 H ASP A 75 1.860 -15.468 -19.779 1.00 0.00 H new ATOM 0 HA ASP A 75 2.113 -12.961 -21.267 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.053 -15.381 -22.211 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.335 -15.334 -21.868 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.513 -12.412 -21.307 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.724 -11.696 -20.935 1.00 0.00 C ATOM 1143 C VAL A 76 -2.896 -12.657 -20.785 1.00 0.00 C ATOM 1144 O VAL A 76 -3.167 -13.467 -21.674 1.00 0.00 O ATOM 1145 CB VAL A 76 -2.079 -10.604 -21.968 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.342 -9.859 -21.562 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.921 -9.632 -22.136 1.00 0.00 C ATOM 0 H VAL A 76 -0.237 -12.294 -22.282 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.530 -11.214 -19.977 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.266 -11.093 -22.924 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.569 -9.096 -22.306 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.173 -10.561 -21.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.189 -9.386 -20.592 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.189 -8.870 -22.867 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.703 -9.157 -21.180 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.040 -10.172 -22.481 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.583 -12.563 -19.654 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.707 -13.439 -19.398 1.00 0.00 C ATOM 1159 C GLY A 77 -4.390 -14.488 -18.355 1.00 0.00 C ATOM 1160 O GLY A 77 -5.284 -15.179 -17.869 1.00 0.00 O ATOM 0 H GLY A 77 -3.381 -11.895 -18.910 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.559 -12.846 -19.066 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.002 -13.929 -20.326 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.117 -14.598 -18.001 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.680 -15.571 -17.020 1.00 0.00 C ATOM 1166 C GLU A 78 -3.162 -15.214 -15.622 1.00 0.00 C ATOM 1167 O GLU A 78 -3.682 -14.120 -15.383 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.167 -15.650 -17.016 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.581 -16.355 -18.218 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.022 -17.797 -18.328 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.394 -18.657 -17.680 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.986 -18.079 -19.072 1.00 0.00 O ATOM 0 H GLU A 78 -2.368 -14.020 -18.383 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.109 -16.534 -17.296 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.762 -14.639 -16.968 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.844 -16.166 -16.112 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.872 -15.822 -19.123 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.507 -16.316 -18.161 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.955 -16.133 -14.699 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.334 -15.921 -13.311 1.00 0.00 C ATOM 1182 C GLU A 79 -2.115 -16.025 -12.414 1.00 0.00 C ATOM 1183 O GLU A 79 -1.308 -16.950 -12.547 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.382 -16.934 -12.854 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.709 -16.837 -13.591 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.849 -17.438 -12.797 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -6.959 -18.675 -12.732 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.636 -16.668 -12.211 1.00 0.00 O ATOM 0 H GLU A 79 -2.524 -17.039 -14.884 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.764 -14.922 -13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.980 -17.939 -12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.561 -16.798 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.929 -15.791 -13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.628 -17.348 -14.551 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.984 -15.078 -11.504 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.861 -15.068 -10.579 1.00 0.00 C ATOM 1198 C VAL A 80 -1.345 -15.079 -9.138 1.00 0.00 C ATOM 1199 O VAL A 80 -2.478 -14.696 -8.845 1.00 0.00 O ATOM 1200 CB VAL A 80 0.057 -13.845 -10.793 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.702 -13.896 -12.168 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.721 -12.549 -10.617 1.00 0.00 C ATOM 0 H VAL A 80 -2.639 -14.306 -11.384 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.285 -15.971 -10.781 1.00 0.00 H new ATOM 0 HB VAL A 80 0.845 -13.875 -10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.345 -13.026 -12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.297 -14.805 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.073 -13.894 -12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.055 -11.701 -10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.533 -12.510 -11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.134 -12.506 -9.609 1.00 0.00 H new ATOM 1212 N SER A 81 -0.488 -15.552 -8.252 1.00 0.00 N ATOM 1213 CA SER A 81 -0.742 -15.488 -6.826 1.00 0.00 C ATOM 1214 C SER A 81 0.307 -14.590 -6.186 1.00 0.00 C ATOM 1215 O SER A 81 1.505 -14.745 -6.452 1.00 0.00 O ATOM 1216 CB SER A 81 -0.702 -16.891 -6.211 1.00 0.00 C ATOM 1217 OG SER A 81 -1.040 -16.864 -4.833 1.00 0.00 O ATOM 0 H SER A 81 0.400 -15.989 -8.500 1.00 0.00 H new ATOM 0 HA SER A 81 -1.735 -15.076 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.394 -17.543 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.294 -17.315 -6.334 1.00 0.00 H new ATOM 0 HG SER A 81 -1.007 -17.774 -4.470 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.137 -13.635 -5.374 1.00 0.00 N ATOM 1224 CA VAL A 82 0.783 -12.704 -4.738 1.00 0.00 C ATOM 1225 C VAL A 82 1.618 -13.426 -3.693 1.00 0.00 C ATOM 1226 O VAL A 82 1.133 -13.769 -2.610 1.00 0.00 O ATOM 1227 CB VAL A 82 0.051 -11.510 -4.084 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.051 -10.515 -3.506 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.859 -10.828 -5.092 1.00 0.00 C ATOM 0 H VAL A 82 -1.120 -13.488 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 82 1.429 -12.306 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.562 -11.890 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.514 -9.683 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.661 -11.010 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.693 -10.140 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.367 -9.990 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.265 -10.463 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.599 -11.541 -5.455 1.00 0.00 H new ATOM 1239 N LYS A 83 2.869 -13.670 -4.044 1.00 0.00 N ATOM 1240 CA LYS A 83 3.789 -14.390 -3.187 1.00 0.00 C ATOM 1241 C LYS A 83 4.324 -13.464 -2.106 1.00 0.00 C ATOM 1242 O LYS A 83 4.422 -13.844 -0.939 1.00 0.00 O ATOM 1243 CB LYS A 83 4.931 -14.954 -4.021 1.00 0.00 C ATOM 1244 CG LYS A 83 5.680 -16.073 -3.331 1.00 0.00 C ATOM 1245 CD LYS A 83 6.603 -16.774 -4.299 1.00 0.00 C ATOM 1246 CE LYS A 83 7.232 -18.010 -3.677 1.00 0.00 C ATOM 1247 NZ LYS A 83 6.196 -18.937 -3.146 1.00 0.00 N ATOM 0 H LYS A 83 3.274 -13.373 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 83 3.265 -15.216 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.534 -15.321 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.629 -14.151 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.256 -15.672 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.971 -16.788 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.047 -17.058 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.387 -16.087 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.837 -18.526 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.904 -17.712 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.509 -19.920 -3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.052 -18.753 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.302 -18.786 -3.655 1.00 0.00 H new ATOM 1261 N ALA A 84 4.652 -12.242 -2.506 1.00 0.00 N ATOM 1262 CA ALA A 84 5.154 -11.234 -1.584 1.00 0.00 C ATOM 1263 C ALA A 84 5.045 -9.845 -2.195 1.00 0.00 C ATOM 1264 O ALA A 84 4.708 -9.695 -3.369 1.00 0.00 O ATOM 1265 CB ALA A 84 6.597 -11.530 -1.199 1.00 0.00 C ATOM 0 H ALA A 84 4.578 -11.924 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 84 4.542 -11.264 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.954 -10.765 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.652 -12.507 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.220 -11.531 -2.094 1.00 0.00 H new ATOM 1271 N ILE A 85 5.316 -8.836 -1.387 1.00 0.00 N ATOM 1272 CA ILE A 85 5.328 -7.458 -1.855 1.00 0.00 C ATOM 1273 C ILE A 85 6.727 -6.884 -1.682 1.00 0.00 C ATOM 1274 O ILE A 85 7.337 -7.039 -0.623 1.00 0.00 O ATOM 1275 CB ILE A 85 4.309 -6.587 -1.082 1.00 0.00 C ATOM 1276 CG1 ILE A 85 2.906 -7.206 -1.172 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.301 -5.162 -1.624 1.00 0.00 C ATOM 1278 CD1 ILE A 85 1.845 -6.436 -0.411 1.00 0.00 C ATOM 0 H ILE A 85 5.532 -8.945 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 85 5.044 -7.450 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 85 4.607 -6.551 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.614 -7.269 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.945 -8.226 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.578 -4.565 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.294 -4.725 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.025 -5.175 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.883 -6.935 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.112 -6.395 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.776 -5.423 -0.807 1.00 0.00 H new ATOM 1290 N GLU A 86 7.246 -6.243 -2.714 1.00 0.00 N ATOM 1291 CA GLU A 86 8.607 -5.737 -2.673 1.00 0.00 C ATOM 1292 C GLU A 86 8.670 -4.299 -3.164 1.00 0.00 C ATOM 1293 O GLU A 86 8.615 -4.036 -4.369 1.00 0.00 O ATOM 1294 CB GLU A 86 9.535 -6.633 -3.500 1.00 0.00 C ATOM 1295 CG GLU A 86 10.993 -6.205 -3.464 1.00 0.00 C ATOM 1296 CD GLU A 86 11.912 -7.212 -4.117 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.547 -7.999 -3.385 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.013 -7.222 -5.360 1.00 0.00 O ATOM 0 H GLU A 86 6.749 -6.061 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 86 8.944 -5.751 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.457 -7.657 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.193 -6.638 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.098 -5.244 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.299 -6.058 -2.428 1.00 0.00 H new ATOM 1306 N GLY A 87 8.778 -3.373 -2.220 1.00 0.00 N ATOM 1307 CA GLY A 87 8.835 -1.966 -2.559 1.00 0.00 C ATOM 1308 C GLY A 87 7.534 -1.478 -3.155 1.00 0.00 C ATOM 1309 O GLY A 87 6.501 -1.473 -2.492 1.00 0.00 O ATOM 0 H GLY A 87 8.827 -3.574 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.065 -1.386 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.646 -1.796 -3.267 1.00 0.00 H new ATOM 1313 N VAL A 88 7.590 -1.070 -4.411 1.00 0.00 N ATOM 1314 CA VAL A 88 6.400 -0.624 -5.121 1.00 0.00 C ATOM 1315 C VAL A 88 5.975 -1.676 -6.152 1.00 0.00 C ATOM 1316 O VAL A 88 5.112 -1.440 -7.005 1.00 0.00 O ATOM 1317 CB VAL A 88 6.645 0.744 -5.805 1.00 0.00 C ATOM 1318 CG1 VAL A 88 7.552 0.607 -7.019 1.00 0.00 C ATOM 1319 CG2 VAL A 88 5.328 1.412 -6.173 1.00 0.00 C ATOM 0 H VAL A 88 8.448 -1.038 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 88 5.594 -0.498 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 88 7.158 1.385 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.702 1.586 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.514 0.199 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.090 -0.063 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.528 2.371 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.775 0.772 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.737 1.573 -5.271 1.00 0.00 H new ATOM 1329 N LYS A 89 6.593 -2.844 -6.059 1.00 0.00 N ATOM 1330 CA LYS A 89 6.302 -3.947 -6.957 1.00 0.00 C ATOM 1331 C LYS A 89 5.738 -5.124 -6.179 1.00 0.00 C ATOM 1332 O LYS A 89 5.882 -5.202 -4.958 1.00 0.00 O ATOM 1333 CB LYS A 89 7.574 -4.403 -7.672 1.00 0.00 C ATOM 1334 CG LYS A 89 8.287 -3.319 -8.465 1.00 0.00 C ATOM 1335 CD LYS A 89 9.615 -3.833 -9.010 1.00 0.00 C ATOM 1336 CE LYS A 89 10.560 -4.234 -7.883 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.798 -4.882 -8.387 1.00 0.00 N ATOM 0 H LYS A 89 7.307 -3.052 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 89 5.572 -3.601 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.265 -4.805 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.320 -5.220 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.654 -2.989 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.461 -2.451 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.436 -4.690 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.082 -3.061 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.826 -3.350 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.045 -4.916 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.408 -5.136 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.549 -5.741 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.305 -4.223 -9.012 1.00 0.00 H new ATOM 1351 N LEU A 90 5.104 -6.040 -6.886 1.00 0.00 N ATOM 1352 CA LEU A 90 4.645 -7.277 -6.284 1.00 0.00 C ATOM 1353 C LEU A 90 5.472 -8.442 -6.803 1.00 0.00 C ATOM 1354 O LEU A 90 5.894 -8.457 -7.966 1.00 0.00 O ATOM 1355 CB LEU A 90 3.166 -7.535 -6.586 1.00 0.00 C ATOM 1356 CG LEU A 90 2.188 -6.436 -6.169 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.766 -6.851 -6.508 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.313 -6.140 -4.684 1.00 0.00 C ATOM 0 H LEU A 90 4.895 -5.950 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 90 4.764 -7.184 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.059 -7.699 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.872 -8.461 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 90 2.432 -5.527 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.076 -6.063 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.682 -7.018 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.519 -7.771 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.608 -5.355 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.093 -7.042 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.328 -5.810 -4.463 1.00 0.00 H new ATOM 1370 N VAL A 91 5.706 -9.403 -5.939 1.00 0.00 N ATOM 1371 CA VAL A 91 6.366 -10.632 -6.325 1.00 0.00 C ATOM 1372 C VAL A 91 5.310 -11.710 -6.460 1.00 0.00 C ATOM 1373 O VAL A 91 4.710 -12.130 -5.469 1.00 0.00 O ATOM 1374 CB VAL A 91 7.429 -11.068 -5.292 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.135 -12.336 -5.752 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.435 -9.951 -5.048 1.00 0.00 C ATOM 0 H VAL A 91 5.446 -9.357 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 91 6.885 -10.471 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 91 6.922 -11.280 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.880 -12.627 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.405 -13.137 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.626 -12.153 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.174 -10.280 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.936 -9.702 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.916 -9.071 -4.668 1.00 0.00 H new ATOM 1386 N VAL A 92 5.048 -12.130 -7.683 1.00 0.00 N ATOM 1387 CA VAL A 92 3.958 -13.051 -7.937 1.00 0.00 C ATOM 1388 C VAL A 92 4.451 -14.321 -8.609 1.00 0.00 C ATOM 1389 O VAL A 92 5.484 -14.325 -9.280 1.00 0.00 O ATOM 1390 CB VAL A 92 2.848 -12.407 -8.802 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.169 -11.271 -8.052 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.412 -11.912 -10.124 1.00 0.00 C ATOM 0 H VAL A 92 5.572 -11.850 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 92 3.535 -13.305 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 92 2.100 -13.171 -9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.393 -10.834 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.721 -11.656 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.906 -10.508 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.614 -11.463 -10.715 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.185 -11.167 -9.934 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.842 -12.750 -10.672 1.00 0.00 H new ATOM 1402 N GLU A 93 3.712 -15.397 -8.408 1.00 0.00 N ATOM 1403 CA GLU A 93 4.021 -16.664 -9.041 1.00 0.00 C ATOM 1404 C GLU A 93 2.866 -17.090 -9.921 1.00 0.00 C ATOM 1405 O GLU A 93 1.752 -16.584 -9.780 1.00 0.00 O ATOM 1406 CB GLU A 93 4.320 -17.746 -8.001 1.00 0.00 C ATOM 1407 CG GLU A 93 3.259 -17.881 -6.917 1.00 0.00 C ATOM 1408 CD GLU A 93 3.542 -19.026 -5.960 1.00 0.00 C ATOM 1409 OE1 GLU A 93 3.133 -20.166 -6.256 1.00 0.00 O ATOM 1410 OE2 GLU A 93 4.164 -18.790 -4.902 1.00 0.00 O ATOM 0 H GLU A 93 2.888 -15.417 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 93 4.914 -16.533 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.427 -18.704 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.278 -17.527 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.199 -16.949 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.286 -18.035 -7.384 1.00 0.00 H new ATOM 1418 N LYS A 94 3.131 -18.016 -10.819 1.00 0.00 N ATOM 1419 CA LYS A 94 2.109 -18.475 -11.736 1.00 0.00 C ATOM 1420 C LYS A 94 1.234 -19.519 -11.082 1.00 0.00 C ATOM 1421 O LYS A 94 1.719 -20.481 -10.486 1.00 0.00 O ATOM 1422 CB LYS A 94 2.710 -19.055 -13.013 1.00 0.00 C ATOM 1423 CG LYS A 94 1.669 -19.695 -13.928 1.00 0.00 C ATOM 1424 CD LYS A 94 2.265 -20.175 -15.240 1.00 0.00 C ATOM 1425 CE LYS A 94 1.357 -21.187 -15.934 1.00 0.00 C ATOM 1426 NZ LYS A 94 -0.033 -20.687 -16.113 1.00 0.00 N ATOM 0 H LYS A 94 4.040 -18.464 -10.933 1.00 0.00 H new ATOM 0 HA LYS A 94 1.508 -17.605 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.225 -18.263 -13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.460 -19.801 -12.748 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.206 -20.537 -13.413 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.878 -18.974 -14.134 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.430 -19.322 -15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.239 -20.627 -15.054 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.777 -21.437 -16.908 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.335 -22.108 -15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.568 -21.353 -16.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.494 -20.602 -15.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.010 -19.755 -16.574 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.054 -19.314 -11.207 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.028 -20.278 -10.761 1.00 0.00 C ATOM 1442 C LEU A 95 -1.510 -21.074 -11.961 1.00 0.00 C ATOM 1443 O LEU A 95 -1.424 -20.608 -13.101 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.199 -19.562 -10.086 1.00 0.00 C ATOM 1445 CG LEU A 95 -2.560 -20.049 -8.678 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.181 -21.438 -8.719 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -1.329 -20.053 -7.784 1.00 0.00 C ATOM 0 H LEU A 95 -0.456 -18.473 -11.621 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.579 -20.955 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.967 -18.498 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.078 -19.666 -10.722 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.295 -19.359 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.427 -21.757 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.089 -21.413 -9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.473 -22.140 -9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.604 -20.401 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.575 -20.718 -8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.925 -19.043 -7.716 1.00 0.00 H new