USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 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+ -165:sc= 1.31 (180deg=1.15) USER MOD Single : A 48 MET CE :methyl 156:sc= -0.201 (180deg=-0.971) USER MOD Single : A 52 SER OG : rot 24:sc= 0.759 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 55 ASN : amide:sc= -0.0107 K(o=-0.011,f=-3.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00382 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0111 (180deg=-0.158) 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 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 81 SER OG : rot 180:sc= -0.828 USER MOD Single : A 83 LYS NZ :NH3+ -113:sc= 1.12 (180deg=-1.77!) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0501) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 0.989 (180deg=0.937) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.481 -8.551 -0.469 1.00 0.00 N ATOM 601 CA LEU A 40 -3.406 -9.276 -1.729 1.00 0.00 C ATOM 602 C LEU A 40 -2.637 -10.581 -1.548 1.00 0.00 C ATOM 603 O LEU A 40 -2.770 -11.516 -2.342 1.00 0.00 O ATOM 604 CB LEU A 40 -2.713 -8.411 -2.784 1.00 0.00 C ATOM 605 CG LEU A 40 -3.253 -6.986 -2.932 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.489 -6.242 -4.017 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.740 -7.005 -3.241 1.00 0.00 C ATOM 0 HA LEU A 40 -4.419 -9.508 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.652 -8.355 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.793 -8.912 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.110 -6.462 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.884 -5.230 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.433 -6.196 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.603 -6.766 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.104 -5.982 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.911 -7.545 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.274 -7.501 -2.431 1.00 0.00 H new ATOM 619 N ILE A 41 -1.838 -10.632 -0.485 1.00 0.00 N ATOM 620 CA ILE A 41 -0.978 -11.778 -0.210 1.00 0.00 C ATOM 621 C ILE A 41 -1.795 -13.048 -0.008 1.00 0.00 C ATOM 622 O ILE A 41 -2.675 -13.104 0.854 1.00 0.00 O ATOM 623 CB ILE A 41 -0.102 -11.533 1.040 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.730 -10.257 0.871 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.806 -12.732 1.306 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.687 -10.300 -0.302 1.00 0.00 C ATOM 0 H ILE A 41 -1.769 -9.885 0.206 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.333 -11.905 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.760 -11.405 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.056 -9.409 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.298 -10.082 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.414 -12.539 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.196 -13.620 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.456 -12.894 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.239 -9.362 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.386 -11.126 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.125 -10.443 -1.225 1.00 0.00 H new ATOM 638 N GLY A 42 -1.503 -14.055 -0.819 1.00 0.00 N ATOM 639 CA GLY A 42 -2.167 -15.333 -0.687 1.00 0.00 C ATOM 640 C GLY A 42 -3.275 -15.529 -1.701 1.00 0.00 C ATOM 641 O GLY A 42 -3.734 -16.656 -1.918 1.00 0.00 O ATOM 0 H GLY A 42 -0.814 -14.007 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.433 -16.131 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.581 -15.420 0.318 1.00 0.00 H new ATOM 645 N ARG A 43 -3.702 -14.444 -2.334 1.00 0.00 N ATOM 646 CA ARG A 43 -4.819 -14.503 -3.269 1.00 0.00 C ATOM 647 C ARG A 43 -4.335 -14.481 -4.714 1.00 0.00 C ATOM 648 O ARG A 43 -3.135 -14.357 -4.979 1.00 0.00 O ATOM 649 CB ARG A 43 -5.793 -13.351 -3.022 1.00 0.00 C ATOM 650 CG ARG A 43 -6.472 -13.413 -1.664 1.00 0.00 C ATOM 651 CD ARG A 43 -7.517 -12.320 -1.509 1.00 0.00 C ATOM 652 NE ARG A 43 -8.615 -12.457 -2.469 1.00 0.00 N ATOM 653 CZ ARG A 43 -9.659 -11.625 -2.533 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.760 -10.608 -1.681 1.00 0.00 N ATOM 655 NH2 ARG A 43 -10.604 -11.817 -3.442 1.00 0.00 N ATOM 0 H ARG A 43 -3.294 -13.516 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.340 -15.446 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.256 -12.406 -3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.555 -13.356 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.943 -14.388 -1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.723 -13.315 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.918 -12.346 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.043 -11.347 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.581 -13.234 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.039 -10.461 -0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.559 -9.976 -1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.534 -12.600 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.401 -11.182 -3.491 1.00 0.00 H new ATOM 669 N LYS A 44 -5.277 -14.608 -5.641 1.00 0.00 N ATOM 670 CA LYS A 44 -4.960 -14.651 -7.058 1.00 0.00 C ATOM 671 C LYS A 44 -4.927 -13.251 -7.666 1.00 0.00 C ATOM 672 O LYS A 44 -5.665 -12.357 -7.249 1.00 0.00 O ATOM 673 CB LYS A 44 -5.994 -15.499 -7.804 1.00 0.00 C ATOM 674 CG LYS A 44 -5.702 -15.620 -9.288 1.00 0.00 C ATOM 675 CD LYS A 44 -6.883 -16.172 -10.072 1.00 0.00 C ATOM 676 CE LYS A 44 -7.162 -17.628 -9.745 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.137 -18.220 -10.698 1.00 0.00 N ATOM 0 H LYS A 44 -6.272 -14.683 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.971 -15.097 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.025 -16.495 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.982 -15.060 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.434 -14.640 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.839 -16.269 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.770 -15.577 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.686 -16.073 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.231 -18.194 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.550 -17.707 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.500 -19.115 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.927 -17.559 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.667 -18.400 -11.608 1.00 0.00 H new ATOM 691 N GLY A 45 -4.070 -13.083 -8.659 1.00 0.00 N ATOM 692 CA GLY A 45 -4.042 -11.879 -9.447 1.00 0.00 C ATOM 693 C GLY A 45 -4.013 -12.230 -10.915 1.00 0.00 C ATOM 694 O GLY A 45 -3.595 -13.326 -11.278 1.00 0.00 O ATOM 0 H GLY A 45 -3.379 -13.780 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.918 -11.269 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.166 -11.284 -9.188 1.00 0.00 H new ATOM 698 N VAL A 46 -4.463 -11.330 -11.759 1.00 0.00 N ATOM 699 CA VAL A 46 -4.504 -11.583 -13.192 1.00 0.00 C ATOM 700 C VAL A 46 -3.494 -10.703 -13.924 1.00 0.00 C ATOM 701 O VAL A 46 -3.290 -9.541 -13.562 1.00 0.00 O ATOM 702 CB VAL A 46 -5.926 -11.351 -13.761 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.371 -9.906 -13.569 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.003 -11.746 -15.230 1.00 0.00 C ATOM 0 H VAL A 46 -4.808 -10.411 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.239 -12.628 -13.352 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.609 -11.991 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.373 -9.776 -13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.380 -9.666 -12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.679 -9.241 -14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.013 -11.572 -15.601 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.297 -11.147 -15.805 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.754 -12.802 -15.336 1.00 0.00 H new ATOM 714 N VAL A 47 -2.862 -11.262 -14.946 1.00 0.00 N ATOM 715 CA VAL A 47 -1.850 -10.547 -15.710 1.00 0.00 C ATOM 716 C VAL A 47 -2.482 -9.772 -16.864 1.00 0.00 C ATOM 717 O VAL A 47 -2.969 -10.367 -17.829 1.00 0.00 O ATOM 718 CB VAL A 47 -0.785 -11.514 -16.265 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.315 -10.753 -16.983 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.200 -12.374 -15.157 1.00 0.00 C ATOM 0 H VAL A 47 -3.034 -12.215 -15.267 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.369 -9.844 -15.030 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.274 -12.171 -16.984 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.054 -11.457 -17.366 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.114 -10.190 -17.812 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.795 -10.065 -16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.548 -13.047 -15.575 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.266 -11.734 -14.407 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.994 -12.958 -14.692 1.00 0.00 H new ATOM 730 N MET A 48 -2.467 -8.449 -16.765 1.00 0.00 N ATOM 731 CA MET A 48 -3.039 -7.597 -17.803 1.00 0.00 C ATOM 732 C MET A 48 -1.964 -7.167 -18.793 1.00 0.00 C ATOM 733 O MET A 48 -2.241 -6.945 -19.975 1.00 0.00 O ATOM 734 CB MET A 48 -3.703 -6.365 -17.187 1.00 0.00 C ATOM 735 CG MET A 48 -4.926 -6.685 -16.357 1.00 0.00 C ATOM 736 SD MET A 48 -5.791 -5.207 -15.793 1.00 0.00 S ATOM 737 CE MET A 48 -6.265 -4.477 -17.359 1.00 0.00 C ATOM 0 H MET A 48 -2.065 -7.941 -15.977 1.00 0.00 H new ATOM 0 HA MET A 48 -3.797 -8.173 -18.333 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.976 -5.846 -16.562 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.986 -5.678 -17.985 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.609 -7.298 -16.945 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.628 -7.279 -15.493 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.131 -3.832 -17.212 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.436 -3.888 -17.751 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.516 -5.267 -18.067 1.00 0.00 H new ATOM 747 N GLU A 49 -0.740 -7.045 -18.301 1.00 0.00 N ATOM 748 CA GLU A 49 0.396 -6.723 -19.150 1.00 0.00 C ATOM 749 C GLU A 49 1.488 -7.765 -18.960 1.00 0.00 C ATOM 750 O GLU A 49 1.768 -8.171 -17.833 1.00 0.00 O ATOM 751 CB GLU A 49 0.933 -5.324 -18.839 1.00 0.00 C ATOM 752 CG GLU A 49 2.032 -4.872 -19.790 1.00 0.00 C ATOM 753 CD GLU A 49 1.605 -4.948 -21.242 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.140 -3.926 -21.786 1.00 0.00 O ATOM 755 OE2 GLU A 49 1.711 -6.038 -21.839 1.00 0.00 O ATOM 0 H GLU A 49 -0.508 -7.165 -17.315 1.00 0.00 H new ATOM 0 HA GLU A 49 0.068 -6.732 -20.190 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.111 -4.610 -18.881 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.317 -5.309 -17.819 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.317 -3.848 -19.551 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.916 -5.492 -19.641 1.00 0.00 H new ATOM 763 N ALA A 50 2.091 -8.177 -20.067 1.00 0.00 N ATOM 764 CA ALA A 50 3.043 -9.283 -20.077 1.00 0.00 C ATOM 765 C ALA A 50 4.221 -9.037 -19.144 1.00 0.00 C ATOM 766 O ALA A 50 4.993 -8.089 -19.322 1.00 0.00 O ATOM 767 CB ALA A 50 3.542 -9.539 -21.494 1.00 0.00 C ATOM 0 H ALA A 50 1.935 -7.756 -20.983 1.00 0.00 H new ATOM 0 HA ALA A 50 2.516 -10.165 -19.713 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.251 -10.367 -21.486 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.698 -9.790 -22.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.034 -8.643 -21.874 1.00 0.00 H new ATOM 773 N ILE A 51 4.348 -9.893 -18.145 1.00 0.00 N ATOM 774 CA ILE A 51 5.465 -9.824 -17.220 1.00 0.00 C ATOM 775 C ILE A 51 6.680 -10.493 -17.844 1.00 0.00 C ATOM 776 O ILE A 51 6.746 -11.718 -17.931 1.00 0.00 O ATOM 777 CB ILE A 51 5.141 -10.511 -15.875 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.881 -9.899 -15.253 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.323 -10.392 -14.916 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.381 -10.636 -14.027 1.00 0.00 C ATOM 0 H ILE A 51 3.688 -10.647 -17.954 1.00 0.00 H new ATOM 0 HA ILE A 51 5.668 -8.772 -17.021 1.00 0.00 H new ATOM 0 HB ILE A 51 4.955 -11.569 -16.062 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.087 -8.863 -14.983 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.090 -9.882 -16.002 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.078 -10.881 -13.973 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.198 -10.870 -15.356 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.538 -9.339 -14.733 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.487 -10.143 -13.645 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.141 -11.665 -14.294 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.154 -10.631 -13.259 1.00 0.00 H new ATOM 792 N SER A 52 7.629 -9.696 -18.292 1.00 0.00 N ATOM 793 CA SER A 52 8.804 -10.230 -18.946 1.00 0.00 C ATOM 794 C SER A 52 10.028 -10.091 -18.055 1.00 0.00 C ATOM 795 O SER A 52 10.072 -9.233 -17.171 1.00 0.00 O ATOM 796 CB SER A 52 9.024 -9.536 -20.297 1.00 0.00 C ATOM 797 OG SER A 52 8.773 -8.140 -20.216 1.00 0.00 O ATOM 0 H SER A 52 7.609 -8.679 -18.215 1.00 0.00 H new ATOM 0 HA SER A 52 8.645 -11.293 -19.130 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.048 -9.703 -20.630 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.369 -9.981 -21.046 1.00 0.00 H new ATOM 0 HG SER A 52 8.892 -7.839 -19.291 1.00 0.00 H new ATOM 803 N PRO A 53 11.032 -10.952 -18.267 1.00 0.00 N ATOM 804 CA PRO A 53 12.287 -10.918 -17.507 1.00 0.00 C ATOM 805 C PRO A 53 13.026 -9.594 -17.676 1.00 0.00 C ATOM 806 O PRO A 53 13.837 -9.211 -16.836 1.00 0.00 O ATOM 807 CB PRO A 53 13.109 -12.058 -18.110 1.00 0.00 C ATOM 808 CG PRO A 53 12.128 -12.935 -18.807 1.00 0.00 C ATOM 809 CD PRO A 53 11.014 -12.041 -19.256 1.00 0.00 C ATOM 0 HA PRO A 53 12.112 -11.022 -16.436 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.857 -11.677 -18.805 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.644 -12.607 -17.336 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.590 -13.438 -19.657 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.758 -13.713 -18.139 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.180 -11.669 -20.267 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.057 -12.563 -19.262 1.00 0.00 H new ATOM 817 N GLN A 54 12.726 -8.898 -18.765 1.00 0.00 N ATOM 818 CA GLN A 54 13.396 -7.647 -19.087 1.00 0.00 C ATOM 819 C GLN A 54 12.610 -6.440 -18.572 1.00 0.00 C ATOM 820 O GLN A 54 13.189 -5.390 -18.282 1.00 0.00 O ATOM 821 CB GLN A 54 13.587 -7.535 -20.601 1.00 0.00 C ATOM 822 CG GLN A 54 14.381 -8.686 -21.201 1.00 0.00 C ATOM 823 CD GLN A 54 14.470 -8.611 -22.714 1.00 0.00 C ATOM 824 OE1 GLN A 54 14.454 -7.527 -23.297 1.00 0.00 O ATOM 825 NE2 GLN A 54 14.565 -9.763 -23.361 1.00 0.00 N ATOM 0 H GLN A 54 12.019 -9.182 -19.443 1.00 0.00 H new ATOM 0 HA GLN A 54 14.368 -7.650 -18.593 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.609 -7.491 -21.080 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.095 -6.597 -20.826 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.387 -8.685 -20.782 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.917 -9.630 -20.915 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.575 -10.641 -22.841 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.628 -9.772 -24.379 1.00 0.00 H new ATOM 834 N ASN A 55 11.295 -6.587 -18.462 1.00 0.00 N ATOM 835 CA ASN A 55 10.440 -5.477 -18.055 1.00 0.00 C ATOM 836 C ASN A 55 9.254 -6.000 -17.248 1.00 0.00 C ATOM 837 O ASN A 55 8.591 -6.953 -17.658 1.00 0.00 O ATOM 838 CB ASN A 55 9.949 -4.717 -19.293 1.00 0.00 C ATOM 839 CG ASN A 55 9.466 -3.308 -18.984 1.00 0.00 C ATOM 840 OD1 ASN A 55 8.987 -3.017 -17.890 1.00 0.00 O ATOM 841 ND2 ASN A 55 9.598 -2.416 -19.955 1.00 0.00 N ATOM 0 H ASN A 55 10.799 -7.459 -18.648 1.00 0.00 H new ATOM 0 HA ASN A 55 11.014 -4.794 -17.428 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.757 -4.664 -20.022 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.137 -5.278 -19.757 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.298 -1.453 -19.807 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.000 -2.693 -20.851 1.00 0.00 H new ATOM 848 N SER A 56 9.001 -5.379 -16.106 1.00 0.00 N ATOM 849 CA SER A 56 7.943 -5.814 -15.204 1.00 0.00 C ATOM 850 C SER A 56 6.570 -5.697 -15.863 1.00 0.00 C ATOM 851 O SER A 56 6.361 -4.874 -16.758 1.00 0.00 O ATOM 852 CB SER A 56 7.975 -4.977 -13.929 1.00 0.00 C ATOM 853 OG SER A 56 9.304 -4.842 -13.449 1.00 0.00 O ATOM 0 H SER A 56 9.519 -4.564 -15.779 1.00 0.00 H new ATOM 0 HA SER A 56 8.115 -6.862 -14.960 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.552 -3.992 -14.125 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.353 -5.445 -13.166 1.00 0.00 H new ATOM 0 HG SER A 56 9.303 -4.301 -12.632 1.00 0.00 H new ATOM 859 N GLY A 57 5.637 -6.516 -15.409 1.00 0.00 N ATOM 860 CA GLY A 57 4.318 -6.526 -15.997 1.00 0.00 C ATOM 861 C GLY A 57 3.281 -5.901 -15.091 1.00 0.00 C ATOM 862 O GLY A 57 3.597 -5.465 -13.981 1.00 0.00 O ATOM 0 H GLY A 57 5.770 -7.175 -14.642 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.341 -5.988 -16.945 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.030 -7.553 -16.221 1.00 0.00 H new ATOM 866 N LEU A 58 2.042 -5.870 -15.553 1.00 0.00 N ATOM 867 CA LEU A 58 0.957 -5.265 -14.792 1.00 0.00 C ATOM 868 C LEU A 58 -0.097 -6.303 -14.440 1.00 0.00 C ATOM 869 O LEU A 58 -0.615 -6.997 -15.316 1.00 0.00 O ATOM 870 CB LEU A 58 0.313 -4.125 -15.589 1.00 0.00 C ATOM 871 CG LEU A 58 1.210 -2.921 -15.858 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.500 -1.915 -16.751 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.635 -2.267 -14.554 1.00 0.00 C ATOM 0 H LEU A 58 1.760 -6.257 -16.454 1.00 0.00 H new ATOM 0 HA LEU A 58 1.376 -4.862 -13.870 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.029 -4.522 -16.545 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.571 -3.784 -15.051 1.00 0.00 H new ATOM 0 HG LEU A 58 2.104 -3.270 -16.374 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.155 -1.063 -16.932 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.247 -2.386 -17.701 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.412 -1.574 -16.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.274 -1.410 -14.768 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.752 -1.934 -14.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.184 -2.987 -13.948 1.00 0.00 H new ATOM 885 N VAL A 59 -0.413 -6.402 -13.160 1.00 0.00 N ATOM 886 CA VAL A 59 -1.441 -7.318 -12.699 1.00 0.00 C ATOM 887 C VAL A 59 -2.552 -6.555 -11.995 1.00 0.00 C ATOM 888 O VAL A 59 -2.299 -5.569 -11.303 1.00 0.00 O ATOM 889 CB VAL A 59 -0.876 -8.398 -11.749 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.073 -9.325 -12.491 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.185 -7.762 -10.551 1.00 0.00 C ATOM 0 H VAL A 59 0.029 -5.857 -12.420 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.839 -7.821 -13.580 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.711 -8.992 -11.379 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.459 -10.077 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.461 -9.817 -13.304 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.902 -8.747 -12.898 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.204 -8.543 -9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.637 -7.135 -10.896 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.900 -7.152 -10.000 1.00 0.00 H new ATOM 901 N LYS A 60 -3.781 -6.996 -12.186 1.00 0.00 N ATOM 902 CA LYS A 60 -4.922 -6.350 -11.558 1.00 0.00 C ATOM 903 C LYS A 60 -5.386 -7.154 -10.355 1.00 0.00 C ATOM 904 O LYS A 60 -5.834 -8.293 -10.496 1.00 0.00 O ATOM 905 CB LYS A 60 -6.075 -6.191 -12.551 1.00 0.00 C ATOM 906 CG LYS A 60 -7.234 -5.370 -12.009 1.00 0.00 C ATOM 907 CD LYS A 60 -8.410 -5.359 -12.968 1.00 0.00 C ATOM 908 CE LYS A 60 -9.523 -4.458 -12.465 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.135 -3.020 -12.504 1.00 0.00 N ATOM 0 H LYS A 60 -4.017 -7.798 -12.770 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.610 -5.359 -11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.699 -5.719 -13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.440 -7.179 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.551 -5.777 -11.049 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.902 -4.348 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.079 -5.018 -13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.789 -6.373 -13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.415 -4.610 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.782 -4.737 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.979 -2.429 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.449 -2.825 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.705 -2.801 -13.425 1.00 0.00 H new ATOM 923 N VAL A 61 -5.254 -6.571 -9.174 1.00 0.00 N ATOM 924 CA VAL A 61 -5.696 -7.221 -7.950 1.00 0.00 C ATOM 925 C VAL A 61 -6.510 -6.233 -7.122 1.00 0.00 C ATOM 926 O VAL A 61 -6.191 -5.039 -7.092 1.00 0.00 O ATOM 927 CB VAL A 61 -4.513 -7.755 -7.103 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.992 -8.846 -6.158 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.382 -8.272 -7.987 1.00 0.00 C ATOM 0 H VAL A 61 -4.844 -5.647 -9.037 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.306 -8.079 -8.234 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.120 -6.925 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.151 -9.212 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.753 -8.441 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.416 -9.668 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.569 -8.639 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.752 -9.084 -8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.016 -7.463 -8.620 1.00 0.00 H new ATOM 939 N ASP A 62 -7.554 -6.737 -6.464 1.00 0.00 N ATOM 940 CA ASP A 62 -8.502 -5.908 -5.714 1.00 0.00 C ATOM 941 C ASP A 62 -9.276 -4.994 -6.659 1.00 0.00 C ATOM 942 O ASP A 62 -10.372 -5.329 -7.107 1.00 0.00 O ATOM 943 CB ASP A 62 -7.791 -5.084 -4.628 1.00 0.00 C ATOM 944 CG ASP A 62 -8.730 -4.138 -3.900 1.00 0.00 C ATOM 945 OD1 ASP A 62 -9.541 -4.615 -3.079 1.00 0.00 O ATOM 946 OD2 ASP A 62 -8.643 -2.912 -4.135 1.00 0.00 O ATOM 0 H ASP A 62 -7.768 -7.734 -6.435 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.207 -6.575 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.332 -5.760 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.985 -4.509 -5.084 1.00 0.00 H new ATOM 952 N GLY A 63 -8.694 -3.851 -6.958 1.00 0.00 N ATOM 953 CA GLY A 63 -9.269 -2.943 -7.925 1.00 0.00 C ATOM 954 C GLY A 63 -8.213 -2.069 -8.561 1.00 0.00 C ATOM 955 O GLY A 63 -8.523 -1.147 -9.313 1.00 0.00 O ATOM 0 H GLY A 63 -7.820 -3.529 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.785 -3.512 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.016 -2.316 -7.438 1.00 0.00 H new ATOM 959 N GLU A 64 -6.957 -2.372 -8.268 1.00 0.00 N ATOM 960 CA GLU A 64 -5.847 -1.575 -8.739 1.00 0.00 C ATOM 961 C GLU A 64 -4.998 -2.361 -9.723 1.00 0.00 C ATOM 962 O GLU A 64 -5.114 -3.585 -9.816 1.00 0.00 O ATOM 963 CB GLU A 64 -4.987 -1.149 -7.556 1.00 0.00 C ATOM 964 CG GLU A 64 -5.749 -0.375 -6.499 1.00 0.00 C ATOM 965 CD GLU A 64 -6.437 0.848 -7.062 1.00 0.00 C ATOM 966 OE1 GLU A 64 -7.632 1.049 -6.768 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.793 1.605 -7.817 1.00 0.00 O ATOM 0 H GLU A 64 -6.685 -3.174 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.243 -0.695 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.548 -2.036 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.162 -0.536 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.492 -1.027 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.062 -0.070 -5.710 1.00 0.00 H new ATOM 975 N THR A 65 -4.148 -1.659 -10.450 1.00 0.00 N ATOM 976 CA THR A 65 -3.212 -2.295 -11.351 1.00 0.00 C ATOM 977 C THR A 65 -1.803 -2.149 -10.800 1.00 0.00 C ATOM 978 O THR A 65 -1.233 -1.054 -10.772 1.00 0.00 O ATOM 979 CB THR A 65 -3.286 -1.685 -12.756 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.658 -1.496 -13.129 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.606 -2.591 -13.774 1.00 0.00 C ATOM 0 H THR A 65 -4.089 -0.641 -10.431 1.00 0.00 H new ATOM 0 HA THR A 65 -3.474 -3.350 -11.429 1.00 0.00 H new ATOM 0 HB THR A 65 -2.771 -0.725 -12.742 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.702 -1.105 -14.026 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.670 -2.139 -14.764 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.559 -2.722 -13.502 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.102 -3.562 -13.786 1.00 0.00 H new ATOM 989 N TRP A 66 -1.253 -3.253 -10.355 1.00 0.00 N ATOM 990 CA TRP A 66 0.022 -3.253 -9.670 1.00 0.00 C ATOM 991 C TRP A 66 1.113 -3.762 -10.587 1.00 0.00 C ATOM 992 O TRP A 66 0.847 -4.492 -11.543 1.00 0.00 O ATOM 993 CB TRP A 66 -0.045 -4.135 -8.422 1.00 0.00 C ATOM 994 CG TRP A 66 -1.087 -3.716 -7.428 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.400 -4.094 -7.405 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.903 -2.847 -6.306 1.00 0.00 C ATOM 997 NE1 TRP A 66 -3.041 -3.511 -6.339 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.143 -2.739 -5.650 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.197 -2.151 -5.791 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.317 -1.959 -4.509 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.022 -1.377 -4.660 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.225 -1.288 -4.028 1.00 0.00 C ATOM 0 H TRP A 66 -1.674 -4.177 -10.456 1.00 0.00 H new ATOM 0 HA TRP A 66 0.251 -2.229 -9.375 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.243 -5.163 -8.727 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.930 -4.129 -7.934 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.866 -4.755 -8.121 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.025 -3.633 -6.100 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.163 -2.218 -6.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.278 -1.886 -4.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.862 -0.831 -4.256 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.327 -0.677 -3.143 1.00 0.00 H new ATOM 1013 N ARG A 67 2.341 -3.371 -10.302 1.00 0.00 N ATOM 1014 CA ARG A 67 3.481 -3.868 -11.046 1.00 0.00 C ATOM 1015 C ARG A 67 3.919 -5.188 -10.448 1.00 0.00 C ATOM 1016 O ARG A 67 3.993 -5.329 -9.230 1.00 0.00 O ATOM 1017 CB ARG A 67 4.641 -2.874 -11.031 1.00 0.00 C ATOM 1018 CG ARG A 67 4.440 -1.663 -11.930 1.00 0.00 C ATOM 1019 CD ARG A 67 3.260 -0.812 -11.490 1.00 0.00 C ATOM 1020 NE ARG A 67 3.262 0.503 -12.128 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.193 1.292 -12.242 1.00 0.00 C ATOM 1022 NH1 ARG A 67 1.006 0.899 -11.791 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.316 2.484 -12.811 1.00 0.00 N ATOM 0 H ARG A 67 2.574 -2.711 -9.560 1.00 0.00 H new ATOM 0 HA ARG A 67 3.184 -4.006 -12.086 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.797 -2.531 -10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.551 -3.391 -11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.345 -1.056 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.283 -1.996 -12.956 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.331 -1.329 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.286 -0.689 -10.407 1.00 0.00 H new ATOM 0 HE ARG A 67 4.144 0.841 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.905 -0.016 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.196 1.512 -11.884 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.224 2.792 -13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.502 3.092 -12.901 1.00 0.00 H new ATOM 1037 N ALA A 68 4.202 -6.147 -11.298 1.00 0.00 N ATOM 1038 CA ALA A 68 4.511 -7.490 -10.837 1.00 0.00 C ATOM 1039 C ALA A 68 5.823 -7.989 -11.412 1.00 0.00 C ATOM 1040 O ALA A 68 6.155 -7.719 -12.569 1.00 0.00 O ATOM 1041 CB ALA A 68 3.383 -8.439 -11.192 1.00 0.00 C ATOM 0 H ALA A 68 4.226 -6.028 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 68 4.618 -7.454 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.627 -9.442 -10.841 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.461 -8.103 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.248 -8.456 -12.274 1.00 0.00 H new ATOM 1047 N THR A 69 6.566 -8.710 -10.588 1.00 0.00 N ATOM 1048 CA THR A 69 7.836 -9.277 -10.996 1.00 0.00 C ATOM 1049 C THR A 69 7.917 -10.749 -10.623 1.00 0.00 C ATOM 1050 O THR A 69 7.337 -11.181 -9.624 1.00 0.00 O ATOM 1051 CB THR A 69 9.020 -8.525 -10.357 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.788 -8.337 -8.955 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.239 -7.180 -11.027 1.00 0.00 C ATOM 0 H THR A 69 6.306 -8.916 -9.624 1.00 0.00 H new ATOM 0 HA THR A 69 7.899 -9.175 -12.079 1.00 0.00 H new ATOM 0 HB THR A 69 9.917 -9.129 -10.497 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.547 -7.860 -8.559 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.080 -6.672 -10.556 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.453 -7.331 -12.085 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.342 -6.571 -10.921 1.00 0.00 H new ATOM 1061 N SER A 70 8.628 -11.511 -11.439 1.00 0.00 N ATOM 1062 CA SER A 70 8.850 -12.920 -11.180 1.00 0.00 C ATOM 1063 C SER A 70 10.165 -13.357 -11.816 1.00 0.00 C ATOM 1064 O SER A 70 10.822 -12.566 -12.498 1.00 0.00 O ATOM 1065 CB SER A 70 7.687 -13.753 -11.727 1.00 0.00 C ATOM 1066 OG SER A 70 7.465 -13.487 -13.100 1.00 0.00 O ATOM 0 H SER A 70 9.065 -11.170 -12.295 1.00 0.00 H new ATOM 0 HA SER A 70 8.907 -13.080 -10.103 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.900 -14.813 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.782 -13.534 -11.161 1.00 0.00 H new ATOM 0 HG SER A 70 6.718 -14.034 -13.423 1.00 0.00 H new ATOM 1072 N GLY A 71 10.551 -14.605 -11.595 1.00 0.00 N ATOM 1073 CA GLY A 71 11.775 -15.107 -12.180 1.00 0.00 C ATOM 1074 C GLY A 71 11.521 -15.847 -13.477 1.00 0.00 C ATOM 1075 O GLY A 71 12.306 -16.708 -13.872 1.00 0.00 O ATOM 0 H GLY A 71 10.040 -15.277 -11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.456 -14.276 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.268 -15.774 -11.473 1.00 0.00 H new ATOM 1079 N THR A 72 10.411 -15.529 -14.133 1.00 0.00 N ATOM 1080 CA THR A 72 10.046 -16.171 -15.387 1.00 0.00 C ATOM 1081 C THR A 72 9.217 -15.202 -16.234 1.00 0.00 C ATOM 1082 O THR A 72 8.854 -14.124 -15.767 1.00 0.00 O ATOM 1083 CB THR A 72 9.243 -17.467 -15.130 1.00 0.00 C ATOM 1084 OG1 THR A 72 9.762 -18.128 -13.969 1.00 0.00 O ATOM 1085 CG2 THR A 72 9.328 -18.420 -16.315 1.00 0.00 C ATOM 0 H THR A 72 9.745 -14.825 -13.813 1.00 0.00 H new ATOM 0 HA THR A 72 10.958 -16.437 -15.921 1.00 0.00 H new ATOM 0 HB THR A 72 8.199 -17.190 -14.981 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.252 -18.949 -13.805 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.752 -19.320 -16.100 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.923 -17.934 -17.203 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.369 -18.689 -16.492 1.00 0.00 H new ATOM 1093 N VAL A 73 8.937 -15.571 -17.475 1.00 0.00 N ATOM 1094 CA VAL A 73 8.132 -14.736 -18.352 1.00 0.00 C ATOM 1095 C VAL A 73 6.666 -15.183 -18.332 1.00 0.00 C ATOM 1096 O VAL A 73 6.350 -16.357 -18.546 1.00 0.00 O ATOM 1097 CB VAL A 73 8.686 -14.741 -19.797 1.00 0.00 C ATOM 1098 CG1 VAL A 73 8.772 -16.156 -20.351 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.847 -13.848 -20.705 1.00 0.00 C ATOM 0 H VAL A 73 9.256 -16.443 -17.897 1.00 0.00 H new ATOM 0 HA VAL A 73 8.185 -13.713 -17.978 1.00 0.00 H new ATOM 0 HB VAL A 73 9.698 -14.336 -19.767 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.165 -16.126 -21.367 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.434 -16.753 -19.724 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.779 -16.605 -20.359 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.257 -13.868 -21.715 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.819 -14.211 -20.723 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.865 -12.826 -20.327 1.00 0.00 H new ATOM 1109 N LEU A 74 5.780 -14.240 -18.052 1.00 0.00 N ATOM 1110 CA LEU A 74 4.356 -14.523 -17.962 1.00 0.00 C ATOM 1111 C LEU A 74 3.607 -13.746 -19.038 1.00 0.00 C ATOM 1112 O LEU A 74 3.848 -12.554 -19.230 1.00 0.00 O ATOM 1113 CB LEU A 74 3.828 -14.146 -16.575 1.00 0.00 C ATOM 1114 CG LEU A 74 4.615 -14.731 -15.395 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.000 -14.292 -14.078 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.669 -16.249 -15.481 1.00 0.00 C ATOM 0 H LEU A 74 6.025 -13.265 -17.882 1.00 0.00 H new ATOM 0 HA LEU A 74 4.196 -15.590 -18.117 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.827 -13.060 -16.487 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.791 -14.473 -16.497 1.00 0.00 H new ATOM 0 HG LEU A 74 5.636 -14.352 -15.443 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.570 -14.716 -13.251 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.019 -13.204 -14.012 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.969 -14.641 -14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.232 -16.642 -14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.656 -16.651 -15.461 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.158 -16.544 -16.410 1.00 0.00 H new ATOM 1128 N ASP A 75 2.703 -14.416 -19.737 1.00 0.00 N ATOM 1129 CA ASP A 75 2.001 -13.792 -20.851 1.00 0.00 C ATOM 1130 C ASP A 75 0.746 -13.079 -20.361 1.00 0.00 C ATOM 1131 O ASP A 75 0.433 -13.086 -19.168 1.00 0.00 O ATOM 1132 CB ASP A 75 1.630 -14.838 -21.906 1.00 0.00 C ATOM 1133 CG ASP A 75 1.571 -14.267 -23.312 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.616 -13.526 -23.628 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.481 -14.569 -24.114 1.00 0.00 O ATOM 0 H ASP A 75 2.439 -15.384 -19.556 1.00 0.00 H new ATOM 0 HA ASP A 75 2.667 -13.058 -21.304 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.359 -15.648 -21.879 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.662 -15.272 -21.655 1.00 0.00 H new ATOM 1141 N VAL A 76 0.022 -12.489 -21.289 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.174 -11.724 -20.969 1.00 0.00 C ATOM 1143 C VAL A 76 -2.369 -12.659 -20.820 1.00 0.00 C ATOM 1144 O VAL A 76 -2.518 -13.612 -21.588 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.479 -10.675 -22.062 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.696 -9.837 -21.702 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.272 -9.784 -22.302 1.00 0.00 C ATOM 0 H VAL A 76 0.242 -12.523 -22.285 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.993 -11.203 -20.029 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.704 -11.213 -22.983 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.883 -9.109 -22.492 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.565 -10.486 -21.593 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.513 -9.315 -20.763 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.508 -9.053 -23.075 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.013 -9.266 -21.379 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.572 -10.394 -22.625 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.201 -12.403 -19.822 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.368 -13.233 -19.602 1.00 0.00 C ATOM 1159 C GLY A 77 -4.077 -14.376 -18.658 1.00 0.00 C ATOM 1160 O GLY A 77 -4.929 -15.233 -18.425 1.00 0.00 O ATOM 0 H GLY A 77 -3.089 -11.635 -19.160 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.175 -12.624 -19.196 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.716 -13.630 -20.556 1.00 0.00 H new ATOM 1164 N GLU A 78 -2.855 -14.407 -18.138 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.474 -15.395 -17.158 1.00 0.00 C ATOM 1166 C GLU A 78 -2.949 -14.992 -15.776 1.00 0.00 C ATOM 1167 O GLU A 78 -3.445 -13.883 -15.569 1.00 0.00 O ATOM 1168 CB GLU A 78 -0.967 -15.562 -17.136 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.411 -16.218 -18.377 1.00 0.00 C ATOM 1170 CD GLU A 78 -0.984 -17.597 -18.632 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.400 -18.587 -18.145 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -2.012 -17.697 -19.335 1.00 0.00 O ATOM 0 H GLU A 78 -2.114 -13.752 -18.386 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.942 -16.340 -17.436 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.504 -14.583 -17.015 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.689 -16.156 -16.266 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.615 -15.582 -19.238 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.673 -16.293 -18.286 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.765 -15.891 -14.832 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.152 -15.647 -13.456 1.00 0.00 C ATOM 1182 C GLU A 79 -2.004 -16.022 -12.537 1.00 0.00 C ATOM 1183 O GLU A 79 -1.276 -16.975 -12.807 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.407 -16.446 -13.097 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.573 -16.195 -14.042 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.885 -16.737 -13.518 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -6.929 -17.913 -13.104 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.886 -15.990 -13.524 1.00 0.00 O ATOM 0 H GLU A 79 -2.346 -16.807 -14.994 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.382 -14.589 -13.333 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.166 -17.509 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.711 -16.194 -12.081 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.671 -15.123 -14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.356 -16.653 -15.007 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.821 -15.264 -11.471 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.710 -15.509 -10.561 1.00 0.00 C ATOM 1198 C VAL A 80 -1.167 -15.549 -9.111 1.00 0.00 C ATOM 1199 O VAL A 80 -2.295 -15.182 -8.789 1.00 0.00 O ATOM 1200 CB VAL A 80 0.383 -14.425 -10.708 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.971 -14.419 -12.111 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.177 -13.055 -10.364 1.00 0.00 C ATOM 0 H VAL A 80 -2.420 -14.480 -11.213 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.299 -16.482 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 80 1.185 -14.663 -10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.736 -13.646 -12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.417 -15.391 -12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.182 -14.216 -12.835 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.606 -12.304 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.002 -12.820 -11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.537 -13.057 -9.335 1.00 0.00 H new ATOM 1212 N SER A 81 -0.283 -16.021 -8.250 1.00 0.00 N ATOM 1213 CA SER A 81 -0.507 -15.989 -6.817 1.00 0.00 C ATOM 1214 C SER A 81 0.445 -14.979 -6.181 1.00 0.00 C ATOM 1215 O SER A 81 1.660 -15.039 -6.401 1.00 0.00 O ATOM 1216 CB SER A 81 -0.287 -17.380 -6.219 1.00 0.00 C ATOM 1217 OG SER A 81 -1.098 -18.344 -6.873 1.00 0.00 O ATOM 0 H SER A 81 0.608 -16.436 -8.524 1.00 0.00 H new ATOM 0 HA SER A 81 -1.535 -15.688 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.763 -17.659 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.520 -17.364 -5.154 1.00 0.00 H new ATOM 0 HG SER A 81 -0.941 -19.227 -6.477 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.105 -14.043 -5.419 1.00 0.00 N ATOM 1224 CA VAL A 82 0.706 -13.015 -4.780 1.00 0.00 C ATOM 1225 C VAL A 82 1.366 -13.567 -3.525 1.00 0.00 C ATOM 1226 O VAL A 82 0.690 -13.894 -2.548 1.00 0.00 O ATOM 1227 CB VAL A 82 -0.135 -11.772 -4.418 1.00 0.00 C ATOM 1228 CG1 VAL A 82 0.747 -10.660 -3.867 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.914 -11.278 -5.629 1.00 0.00 C ATOM 0 H VAL A 82 -1.105 -13.974 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 82 1.473 -12.713 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.845 -12.062 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.131 -9.796 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.257 -11.011 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.486 -10.376 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.500 -10.402 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.219 -11.013 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.582 -12.065 -5.978 1.00 0.00 H new ATOM 1239 N LYS A 83 2.687 -13.678 -3.563 1.00 0.00 N ATOM 1240 CA LYS A 83 3.440 -14.256 -2.467 1.00 0.00 C ATOM 1241 C LYS A 83 3.976 -13.189 -1.518 1.00 0.00 C ATOM 1242 O LYS A 83 3.853 -13.319 -0.299 1.00 0.00 O ATOM 1243 CB LYS A 83 4.596 -15.082 -3.025 1.00 0.00 C ATOM 1244 CG LYS A 83 4.217 -16.497 -3.396 1.00 0.00 C ATOM 1245 CD LYS A 83 3.831 -17.257 -2.159 1.00 0.00 C ATOM 1246 CE LYS A 83 3.450 -18.699 -2.456 1.00 0.00 C ATOM 1247 NZ LYS A 83 4.580 -19.463 -3.050 1.00 0.00 N ATOM 0 H LYS A 83 3.260 -13.372 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 83 2.765 -14.894 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.995 -14.581 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.397 -15.113 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.388 -16.488 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.053 -16.990 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.662 -17.242 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.993 -16.755 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.127 -19.186 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.601 -18.716 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.352 -19.712 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.441 -18.880 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.738 -20.332 -2.501 1.00 0.00 H new ATOM 1261 N ALA A 84 4.562 -12.135 -2.070 1.00 0.00 N ATOM 1262 CA ALA A 84 5.216 -11.123 -1.248 1.00 0.00 C ATOM 1263 C ALA A 84 5.224 -9.761 -1.929 1.00 0.00 C ATOM 1264 O ALA A 84 4.808 -9.628 -3.082 1.00 0.00 O ATOM 1265 CB ALA A 84 6.639 -11.558 -0.917 1.00 0.00 C ATOM 0 H ALA A 84 4.599 -11.958 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 84 4.645 -11.024 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.119 -10.796 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.613 -12.501 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.204 -11.689 -1.840 1.00 0.00 H new ATOM 1271 N ILE A 85 5.686 -8.752 -1.202 1.00 0.00 N ATOM 1272 CA ILE A 85 5.801 -7.400 -1.726 1.00 0.00 C ATOM 1273 C ILE A 85 7.265 -6.972 -1.719 1.00 0.00 C ATOM 1274 O ILE A 85 7.960 -7.158 -0.718 1.00 0.00 O ATOM 1275 CB ILE A 85 4.995 -6.402 -0.866 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.582 -6.935 -0.592 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.931 -5.038 -1.543 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.703 -7.020 -1.822 1.00 0.00 C ATOM 0 H ILE A 85 5.991 -8.849 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 85 5.406 -7.397 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 85 5.507 -6.288 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.660 -7.926 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.099 -6.291 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.359 -4.350 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.941 -4.651 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.447 -5.136 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.723 -7.406 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.592 -6.028 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.161 -7.688 -2.551 1.00 0.00 H new ATOM 1290 N GLU A 86 7.738 -6.411 -2.820 1.00 0.00 N ATOM 1291 CA GLU A 86 9.115 -5.948 -2.900 1.00 0.00 C ATOM 1292 C GLU A 86 9.152 -4.539 -3.484 1.00 0.00 C ATOM 1293 O GLU A 86 8.967 -4.345 -4.690 1.00 0.00 O ATOM 1294 CB GLU A 86 9.960 -6.900 -3.752 1.00 0.00 C ATOM 1295 CG GLU A 86 11.446 -6.842 -3.440 1.00 0.00 C ATOM 1296 CD GLU A 86 11.761 -7.331 -2.038 1.00 0.00 C ATOM 1297 OE1 GLU A 86 11.901 -8.559 -1.850 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.872 -6.493 -1.118 1.00 0.00 O ATOM 0 H GLU A 86 7.191 -6.265 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 86 9.536 -5.930 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.606 -7.920 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.809 -6.662 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.991 -7.448 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.799 -5.817 -3.552 1.00 0.00 H new ATOM 1306 N GLY A 87 9.378 -3.556 -2.624 1.00 0.00 N ATOM 1307 CA GLY A 87 9.312 -2.173 -3.047 1.00 0.00 C ATOM 1308 C GLY A 87 7.886 -1.759 -3.339 1.00 0.00 C ATOM 1309 O GLY A 87 7.020 -1.850 -2.470 1.00 0.00 O ATOM 0 H GLY A 87 9.606 -3.693 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.728 -1.532 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.924 -2.033 -3.938 1.00 0.00 H new ATOM 1313 N VAL A 88 7.635 -1.321 -4.562 1.00 0.00 N ATOM 1314 CA VAL A 88 6.280 -0.980 -4.981 1.00 0.00 C ATOM 1315 C VAL A 88 5.754 -2.022 -5.963 1.00 0.00 C ATOM 1316 O VAL A 88 4.707 -1.841 -6.585 1.00 0.00 O ATOM 1317 CB VAL A 88 6.212 0.423 -5.627 1.00 0.00 C ATOM 1318 CG1 VAL A 88 6.648 1.492 -4.637 1.00 0.00 C ATOM 1319 CG2 VAL A 88 7.056 0.484 -6.894 1.00 0.00 C ATOM 0 H VAL A 88 8.347 -1.193 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 88 5.656 -0.969 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 88 5.176 0.616 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.593 2.472 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.991 1.472 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.673 1.299 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.990 1.482 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.095 0.262 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.688 -0.249 -7.612 1.00 0.00 H new ATOM 1329 N LYS A 89 6.488 -3.117 -6.088 1.00 0.00 N ATOM 1330 CA LYS A 89 6.122 -4.174 -7.012 1.00 0.00 C ATOM 1331 C LYS A 89 5.752 -5.437 -6.252 1.00 0.00 C ATOM 1332 O LYS A 89 6.247 -5.676 -5.151 1.00 0.00 O ATOM 1333 CB LYS A 89 7.271 -4.470 -7.975 1.00 0.00 C ATOM 1334 CG LYS A 89 7.714 -3.265 -8.789 1.00 0.00 C ATOM 1335 CD LYS A 89 8.780 -3.635 -9.808 1.00 0.00 C ATOM 1336 CE LYS A 89 10.029 -4.207 -9.145 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.712 -3.209 -8.278 1.00 0.00 N ATOM 0 H LYS A 89 7.342 -3.295 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 89 5.259 -3.838 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.122 -4.846 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.967 -5.265 -8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.853 -2.836 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.101 -2.497 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.374 -4.365 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.049 -2.752 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.755 -5.077 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.721 -4.552 -9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.616 -3.600 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.891 -2.341 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.107 -2.987 -7.462 1.00 0.00 H new ATOM 1351 N LEU A 90 4.888 -6.242 -6.839 1.00 0.00 N ATOM 1352 CA LEU A 90 4.471 -7.479 -6.213 1.00 0.00 C ATOM 1353 C LEU A 90 5.399 -8.617 -6.614 1.00 0.00 C ATOM 1354 O LEU A 90 5.870 -8.687 -7.756 1.00 0.00 O ATOM 1355 CB LEU A 90 3.040 -7.847 -6.612 1.00 0.00 C ATOM 1356 CG LEU A 90 1.997 -6.732 -6.493 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.614 -7.262 -6.843 1.00 0.00 C ATOM 1358 CD2 LEU A 90 1.999 -6.129 -5.096 1.00 0.00 C ATOM 0 H LEU A 90 4.462 -6.061 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 90 4.513 -7.328 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.051 -8.197 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.717 -8.685 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 90 2.259 -5.945 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.117 -6.458 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.617 -7.638 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.350 -8.070 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.249 -5.340 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.767 -6.904 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.983 -5.711 -4.882 1.00 0.00 H new ATOM 1370 N VAL A 91 5.657 -9.502 -5.674 1.00 0.00 N ATOM 1371 CA VAL A 91 6.402 -10.714 -5.952 1.00 0.00 C ATOM 1372 C VAL A 91 5.412 -11.845 -6.172 1.00 0.00 C ATOM 1373 O VAL A 91 4.813 -12.361 -5.221 1.00 0.00 O ATOM 1374 CB VAL A 91 7.367 -11.082 -4.803 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.173 -12.330 -5.150 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.288 -9.915 -4.488 1.00 0.00 C ATOM 0 H VAL A 91 5.360 -9.404 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 91 7.010 -10.549 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 91 6.774 -11.301 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.845 -12.570 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.494 -13.166 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.756 -12.147 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.961 -10.191 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.872 -9.663 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.693 -9.053 -4.188 1.00 0.00 H new ATOM 1386 N VAL A 92 5.208 -12.202 -7.426 1.00 0.00 N ATOM 1387 CA VAL A 92 4.185 -13.165 -7.772 1.00 0.00 C ATOM 1388 C VAL A 92 4.771 -14.355 -8.509 1.00 0.00 C ATOM 1389 O VAL A 92 5.910 -14.321 -8.978 1.00 0.00 O ATOM 1390 CB VAL A 92 3.077 -12.529 -8.641 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.343 -11.440 -7.872 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.656 -11.970 -9.936 1.00 0.00 C ATOM 0 H VAL A 92 5.737 -11.839 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 92 3.748 -13.505 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 92 2.361 -13.310 -8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.568 -11.007 -8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.886 -11.869 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.049 -10.662 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.857 -11.528 -10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.399 -11.208 -9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.126 -12.775 -10.501 1.00 0.00 H new ATOM 1402 N GLU A 93 3.979 -15.402 -8.594 1.00 0.00 N ATOM 1403 CA GLU A 93 4.333 -16.587 -9.346 1.00 0.00 C ATOM 1404 C GLU A 93 3.096 -17.095 -10.043 1.00 0.00 C ATOM 1405 O GLU A 93 1.988 -16.947 -9.522 1.00 0.00 O ATOM 1406 CB GLU A 93 4.936 -17.661 -8.441 1.00 0.00 C ATOM 1407 CG GLU A 93 4.360 -17.672 -7.035 1.00 0.00 C ATOM 1408 CD GLU A 93 5.095 -18.614 -6.106 1.00 0.00 C ATOM 1409 OE1 GLU A 93 6.245 -18.311 -5.731 1.00 0.00 O ATOM 1410 OE2 GLU A 93 4.516 -19.647 -5.717 1.00 0.00 O ATOM 0 H GLU A 93 3.067 -15.456 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 93 5.095 -16.336 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.777 -18.638 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.014 -17.509 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.397 -16.663 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.310 -17.960 -7.080 1.00 0.00 H new ATOM 1418 N LYS A 94 3.269 -17.668 -11.218 1.00 0.00 N ATOM 1419 CA LYS A 94 2.121 -18.000 -12.040 1.00 0.00 C ATOM 1420 C LYS A 94 1.312 -19.109 -11.401 1.00 0.00 C ATOM 1421 O LYS A 94 1.863 -20.035 -10.798 1.00 0.00 O ATOM 1422 CB LYS A 94 2.516 -18.381 -13.466 1.00 0.00 C ATOM 1423 CG LYS A 94 1.382 -18.149 -14.450 1.00 0.00 C ATOM 1424 CD LYS A 94 1.770 -18.470 -15.882 1.00 0.00 C ATOM 1425 CE LYS A 94 1.774 -19.966 -16.150 1.00 0.00 C ATOM 1426 NZ LYS A 94 1.815 -20.257 -17.608 1.00 0.00 N ATOM 0 H LYS A 94 4.175 -17.910 -11.620 1.00 0.00 H new ATOM 0 HA LYS A 94 1.506 -17.102 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.385 -17.798 -13.770 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.811 -19.430 -13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.528 -18.762 -14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.062 -17.109 -14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.074 -17.982 -16.564 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.759 -18.062 -16.090 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.636 -20.422 -15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.884 -20.418 -15.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.680 -21.277 -17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.057 -19.731 -18.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.736 -19.967 -17.994 1.00 0.00 H new ATOM 1440 N LEU A 95 0.002 -18.981 -11.523 1.00 0.00 N ATOM 1441 CA LEU A 95 -0.935 -19.913 -10.934 1.00 0.00 C ATOM 1442 C LEU A 95 -0.737 -21.314 -11.512 1.00 0.00 C ATOM 1443 O LEU A 95 -0.098 -21.478 -12.553 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.364 -19.439 -11.203 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.408 -19.956 -10.230 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.461 -19.093 -8.981 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.770 -20.043 -10.896 1.00 0.00 C ATOM 0 H LEU A 95 -0.441 -18.220 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.759 -19.955 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.379 -18.349 -11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.647 -19.743 -12.211 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.120 -20.962 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.217 -19.485 -8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.488 -19.105 -8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.716 -18.070 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.502 -20.416 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.071 -19.053 -11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.716 -20.722 -11.747 1.00 0.00 H new