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+ -116:sc= 0.225 (180deg=-1.28!) USER MOD Single : A 48 MET CE :methyl -163:sc= -0.0864 (180deg=-0.436) USER MOD Single : A 52 SER OG : rot 11:sc= 0.637 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.0495 X(o=0.05,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc=-0.00208 (180deg=-0.0979) 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 -77:sc= 1.21 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -144:sc= -1.36 USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= 0.75 (180deg=-0.272!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.849) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.038 -8.393 -0.018 1.00 0.00 N ATOM 601 CA LEU A 40 -2.736 -8.774 -1.384 1.00 0.00 C ATOM 602 C LEU A 40 -2.076 -10.150 -1.387 1.00 0.00 C ATOM 603 O LEU A 40 -2.126 -10.883 -2.373 1.00 0.00 O ATOM 604 CB LEU A 40 -1.802 -7.743 -2.024 1.00 0.00 C ATOM 605 CG LEU A 40 -2.333 -6.307 -2.072 1.00 0.00 C ATOM 606 CD1 LEU A 40 -1.279 -5.371 -2.646 1.00 0.00 C ATOM 607 CD2 LEU A 40 -3.609 -6.235 -2.900 1.00 0.00 C ATOM 0 HA LEU A 40 -3.659 -8.812 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.859 -7.744 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.580 -8.063 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.563 -5.992 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.671 -4.354 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.388 -5.399 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.022 -5.688 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.971 -5.207 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.402 -6.569 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.369 -6.877 -2.454 1.00 0.00 H new ATOM 619 N ILE A 41 -1.483 -10.495 -0.249 1.00 0.00 N ATOM 620 CA ILE A 41 -0.737 -11.734 -0.103 1.00 0.00 C ATOM 621 C ILE A 41 -1.676 -12.930 -0.008 1.00 0.00 C ATOM 622 O ILE A 41 -2.634 -12.925 0.772 1.00 0.00 O ATOM 623 CB ILE A 41 0.166 -11.694 1.153 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.085 -10.466 1.123 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.988 -12.970 1.269 1.00 0.00 C ATOM 626 CD1 ILE A 41 2.018 -10.430 -0.069 1.00 0.00 C ATOM 0 H ILE A 41 -1.507 -9.923 0.595 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.111 -11.841 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.478 -11.620 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.472 -9.565 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.678 -10.445 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.615 -12.919 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.320 -13.828 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.619 -13.078 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.636 -9.533 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.658 -11.312 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.433 -10.418 -0.989 1.00 0.00 H new ATOM 638 N GLY A 42 -1.403 -13.940 -0.817 1.00 0.00 N ATOM 639 CA GLY A 42 -2.170 -15.164 -0.764 1.00 0.00 C ATOM 640 C GLY A 42 -3.440 -15.098 -1.587 1.00 0.00 C ATOM 641 O GLY A 42 -4.315 -15.958 -1.463 1.00 0.00 O ATOM 0 H GLY A 42 -0.658 -13.933 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.554 -15.989 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.426 -15.382 0.273 1.00 0.00 H new ATOM 645 N ARG A 43 -3.556 -14.074 -2.417 1.00 0.00 N ATOM 646 CA ARG A 43 -4.722 -13.927 -3.270 1.00 0.00 C ATOM 647 C ARG A 43 -4.319 -13.993 -4.731 1.00 0.00 C ATOM 648 O ARG A 43 -3.152 -13.775 -5.073 1.00 0.00 O ATOM 649 CB ARG A 43 -5.440 -12.616 -2.973 1.00 0.00 C ATOM 650 CG ARG A 43 -6.043 -12.571 -1.580 1.00 0.00 C ATOM 651 CD ARG A 43 -6.648 -11.217 -1.267 1.00 0.00 C ATOM 652 NE ARG A 43 -7.784 -10.887 -2.129 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.275 -9.657 -2.274 1.00 0.00 C ATOM 654 NH1 ARG A 43 -7.686 -8.625 -1.673 1.00 0.00 N ATOM 655 NH2 ARG A 43 -9.343 -9.462 -3.038 1.00 0.00 N ATOM 0 H ARG A 43 -2.860 -13.336 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.408 -14.748 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.738 -11.790 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.229 -12.466 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.810 -13.340 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.273 -12.803 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.972 -11.201 -0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.882 -10.449 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.226 -11.644 -2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.856 -8.775 -1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.065 -7.685 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.783 -10.252 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.723 -8.523 -3.153 1.00 0.00 H new ATOM 669 N LYS A 44 -5.278 -14.293 -5.588 1.00 0.00 N ATOM 670 CA LYS A 44 -5.013 -14.435 -6.996 1.00 0.00 C ATOM 671 C LYS A 44 -5.234 -13.128 -7.739 1.00 0.00 C ATOM 672 O LYS A 44 -6.028 -12.278 -7.328 1.00 0.00 O ATOM 673 CB LYS A 44 -5.905 -15.513 -7.591 1.00 0.00 C ATOM 674 CG LYS A 44 -5.215 -16.854 -7.768 1.00 0.00 C ATOM 675 CD LYS A 44 -5.837 -17.660 -8.902 1.00 0.00 C ATOM 676 CE LYS A 44 -7.328 -17.892 -8.699 1.00 0.00 C ATOM 677 NZ LYS A 44 -7.947 -18.583 -9.866 1.00 0.00 N ATOM 0 H LYS A 44 -6.252 -14.443 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.967 -14.720 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.776 -15.645 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.272 -15.174 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.156 -16.695 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.279 -17.422 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.678 -17.137 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.330 -18.622 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.484 -18.488 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.826 -16.936 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.645 -17.954 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.209 -18.826 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.420 -19.452 -9.544 1.00 0.00 H new ATOM 691 N GLY A 45 -4.521 -12.990 -8.838 1.00 0.00 N ATOM 692 CA GLY A 45 -4.673 -11.856 -9.705 1.00 0.00 C ATOM 693 C GLY A 45 -4.547 -12.273 -11.150 1.00 0.00 C ATOM 694 O GLY A 45 -4.342 -13.455 -11.444 1.00 0.00 O ATOM 0 H GLY A 45 -3.822 -13.665 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.645 -11.391 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.917 -11.107 -9.469 1.00 0.00 H new ATOM 698 N VAL A 46 -4.666 -11.319 -12.048 1.00 0.00 N ATOM 699 CA VAL A 46 -4.555 -11.588 -13.471 1.00 0.00 C ATOM 700 C VAL A 46 -3.450 -10.731 -14.075 1.00 0.00 C ATOM 701 O VAL A 46 -3.250 -9.586 -13.665 1.00 0.00 O ATOM 702 CB VAL A 46 -5.902 -11.323 -14.192 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.344 -9.873 -14.030 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.819 -11.702 -15.662 1.00 0.00 C ATOM 0 H VAL A 46 -4.841 -10.341 -11.818 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.303 -12.640 -13.606 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.655 -11.955 -13.721 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.291 -9.721 -14.547 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.469 -9.647 -12.971 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.589 -9.213 -14.456 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.777 -11.506 -16.143 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.042 -11.111 -16.147 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.578 -12.761 -15.752 1.00 0.00 H new ATOM 714 N VAL A 47 -2.730 -11.289 -15.033 1.00 0.00 N ATOM 715 CA VAL A 47 -1.637 -10.575 -15.664 1.00 0.00 C ATOM 716 C VAL A 47 -2.163 -9.689 -16.783 1.00 0.00 C ATOM 717 O VAL A 47 -2.682 -10.178 -17.788 1.00 0.00 O ATOM 718 CB VAL A 47 -0.578 -11.541 -16.226 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.631 -10.778 -16.739 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.162 -12.559 -15.177 1.00 0.00 C ATOM 0 H VAL A 47 -2.883 -12.232 -15.389 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.164 -9.958 -14.900 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.024 -12.078 -17.063 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.366 -11.481 -17.131 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.322 -10.097 -17.532 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.074 -10.208 -15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.587 -13.230 -15.598 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.258 -12.042 -14.315 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.032 -13.136 -14.865 1.00 0.00 H new ATOM 730 N MET A 48 -2.029 -8.387 -16.595 1.00 0.00 N ATOM 731 CA MET A 48 -2.507 -7.413 -17.562 1.00 0.00 C ATOM 732 C MET A 48 -1.405 -7.071 -18.554 1.00 0.00 C ATOM 733 O MET A 48 -1.668 -6.810 -19.727 1.00 0.00 O ATOM 734 CB MET A 48 -2.976 -6.140 -16.853 1.00 0.00 C ATOM 735 CG MET A 48 -4.042 -6.380 -15.793 1.00 0.00 C ATOM 736 SD MET A 48 -5.532 -7.144 -16.459 1.00 0.00 S ATOM 737 CE MET A 48 -6.071 -5.894 -17.626 1.00 0.00 C ATOM 0 H MET A 48 -1.588 -7.977 -15.772 1.00 0.00 H new ATOM 0 HA MET A 48 -3.349 -7.849 -18.100 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.117 -5.658 -16.387 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.367 -5.445 -17.596 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.632 -7.017 -15.010 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.304 -5.430 -15.326 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.114 -6.069 -17.891 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.973 -4.907 -17.174 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.455 -5.945 -18.524 1.00 0.00 H new ATOM 747 N GLU A 49 -0.168 -7.072 -18.078 1.00 0.00 N ATOM 748 CA GLU A 49 0.975 -6.784 -18.928 1.00 0.00 C ATOM 749 C GLU A 49 2.054 -7.836 -18.721 1.00 0.00 C ATOM 750 O GLU A 49 2.276 -8.281 -17.596 1.00 0.00 O ATOM 751 CB GLU A 49 1.535 -5.395 -18.623 1.00 0.00 C ATOM 752 CG GLU A 49 2.553 -4.918 -19.643 1.00 0.00 C ATOM 753 CD GLU A 49 1.978 -4.882 -21.041 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.352 -3.864 -21.403 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.119 -5.883 -21.774 1.00 0.00 O ATOM 0 H GLU A 49 0.068 -7.270 -17.106 1.00 0.00 H new ATOM 0 HA GLU A 49 0.648 -6.805 -19.968 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.712 -4.681 -18.580 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.998 -5.407 -17.636 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.902 -3.923 -19.369 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.421 -5.577 -19.625 1.00 0.00 H new ATOM 763 N ALA A 50 2.723 -8.214 -19.807 1.00 0.00 N ATOM 764 CA ALA A 50 3.716 -9.285 -19.783 1.00 0.00 C ATOM 765 C ALA A 50 4.788 -9.033 -18.724 1.00 0.00 C ATOM 766 O ALA A 50 5.308 -7.922 -18.595 1.00 0.00 O ATOM 767 CB ALA A 50 4.355 -9.434 -21.154 1.00 0.00 C ATOM 0 H ALA A 50 2.593 -7.789 -20.725 1.00 0.00 H new ATOM 0 HA ALA A 50 3.204 -10.211 -19.522 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.094 -10.235 -21.126 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.587 -9.674 -21.889 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.843 -8.500 -21.431 1.00 0.00 H new ATOM 773 N ILE A 51 5.114 -10.069 -17.974 1.00 0.00 N ATOM 774 CA ILE A 51 6.101 -9.969 -16.910 1.00 0.00 C ATOM 775 C ILE A 51 7.367 -10.719 -17.296 1.00 0.00 C ATOM 776 O ILE A 51 7.302 -11.872 -17.718 1.00 0.00 O ATOM 777 CB ILE A 51 5.563 -10.561 -15.587 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.281 -9.849 -15.153 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.617 -10.458 -14.492 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.517 -10.588 -14.078 1.00 0.00 C ATOM 0 H ILE A 51 4.707 -10.998 -18.082 1.00 0.00 H new ATOM 0 HA ILE A 51 6.319 -8.911 -16.765 1.00 0.00 H new ATOM 0 HB ILE A 51 5.332 -11.613 -15.756 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.533 -8.853 -14.789 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.636 -9.717 -16.022 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.223 -10.879 -13.567 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.508 -11.010 -14.791 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.875 -9.411 -14.333 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.619 -10.027 -13.818 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.234 -11.575 -14.445 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.146 -10.696 -13.194 1.00 0.00 H new ATOM 792 N SER A 52 8.513 -10.071 -17.166 1.00 0.00 N ATOM 793 CA SER A 52 9.776 -10.737 -17.401 1.00 0.00 C ATOM 794 C SER A 52 10.657 -10.630 -16.166 1.00 0.00 C ATOM 795 O SER A 52 10.425 -9.785 -15.298 1.00 0.00 O ATOM 796 CB SER A 52 10.484 -10.145 -18.626 1.00 0.00 C ATOM 797 OG SER A 52 10.508 -8.726 -18.588 1.00 0.00 O ATOM 0 H SER A 52 8.591 -9.089 -16.900 1.00 0.00 H new ATOM 0 HA SER A 52 9.583 -11.791 -17.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.505 -10.524 -18.674 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.978 -10.476 -19.533 1.00 0.00 H new ATOM 0 HG SER A 52 10.219 -8.417 -17.704 1.00 0.00 H new ATOM 803 N PRO A 53 11.671 -11.502 -16.063 1.00 0.00 N ATOM 804 CA PRO A 53 12.640 -11.464 -14.963 1.00 0.00 C ATOM 805 C PRO A 53 13.411 -10.148 -14.924 1.00 0.00 C ATOM 806 O PRO A 53 13.993 -9.786 -13.904 1.00 0.00 O ATOM 807 CB PRO A 53 13.598 -12.620 -15.272 1.00 0.00 C ATOM 808 CG PRO A 53 12.872 -13.496 -16.236 1.00 0.00 C ATOM 809 CD PRO A 53 11.932 -12.606 -16.997 1.00 0.00 C ATOM 0 HA PRO A 53 12.149 -11.550 -13.994 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.530 -12.253 -15.702 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.858 -13.166 -14.365 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.570 -13.991 -16.911 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.325 -14.280 -15.712 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.380 -12.249 -17.925 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.014 -13.129 -17.267 1.00 0.00 H new ATOM 817 N GLN A 54 13.412 -9.437 -16.043 1.00 0.00 N ATOM 818 CA GLN A 54 14.164 -8.198 -16.148 1.00 0.00 C ATOM 819 C GLN A 54 13.267 -6.979 -15.955 1.00 0.00 C ATOM 820 O GLN A 54 13.534 -6.138 -15.098 1.00 0.00 O ATOM 821 CB GLN A 54 14.882 -8.127 -17.494 1.00 0.00 C ATOM 822 CG GLN A 54 15.939 -9.206 -17.664 1.00 0.00 C ATOM 823 CD GLN A 54 16.729 -9.057 -18.946 1.00 0.00 C ATOM 824 OE1 GLN A 54 17.751 -8.369 -18.980 1.00 0.00 O ATOM 825 NE2 GLN A 54 16.273 -9.707 -20.002 1.00 0.00 N ATOM 0 H GLN A 54 12.902 -9.697 -16.887 1.00 0.00 H new ATOM 0 HA GLN A 54 14.907 -8.190 -15.350 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.149 -8.216 -18.295 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.350 -7.148 -17.598 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.623 -9.175 -16.816 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.458 -10.184 -17.650 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.422 -10.265 -19.929 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.772 -9.651 -20.890 1.00 0.00 H new ATOM 834 N ASN A 55 12.194 -6.893 -16.732 1.00 0.00 N ATOM 835 CA ASN A 55 11.310 -5.735 -16.670 1.00 0.00 C ATOM 836 C ASN A 55 9.980 -6.133 -16.047 1.00 0.00 C ATOM 837 O ASN A 55 9.411 -7.172 -16.388 1.00 0.00 O ATOM 838 CB ASN A 55 11.089 -5.139 -18.067 1.00 0.00 C ATOM 839 CG ASN A 55 10.432 -3.767 -18.023 1.00 0.00 C ATOM 840 OD1 ASN A 55 11.114 -2.741 -17.988 1.00 0.00 O ATOM 841 ND2 ASN A 55 9.110 -3.735 -18.018 1.00 0.00 N ATOM 0 H ASN A 55 11.916 -7.605 -17.407 1.00 0.00 H new ATOM 0 HA ASN A 55 11.780 -4.972 -16.049 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.047 -5.062 -18.580 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.467 -5.816 -18.652 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.622 -2.840 -17.984 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.579 -4.605 -18.048 1.00 0.00 H new ATOM 848 N SER A 56 9.485 -5.306 -15.141 1.00 0.00 N ATOM 849 CA SER A 56 8.264 -5.611 -14.415 1.00 0.00 C ATOM 850 C SER A 56 7.061 -5.667 -15.358 1.00 0.00 C ATOM 851 O SER A 56 7.066 -5.070 -16.436 1.00 0.00 O ATOM 852 CB SER A 56 8.022 -4.550 -13.342 1.00 0.00 C ATOM 853 OG SER A 56 9.235 -4.171 -12.710 1.00 0.00 O ATOM 0 H SER A 56 9.912 -4.414 -14.890 1.00 0.00 H new ATOM 0 HA SER A 56 8.382 -6.589 -13.948 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.555 -3.674 -13.792 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.326 -4.935 -12.597 1.00 0.00 H new ATOM 0 HG SER A 56 9.051 -3.490 -12.030 1.00 0.00 H new ATOM 859 N GLY A 57 6.050 -6.411 -14.952 1.00 0.00 N ATOM 860 CA GLY A 57 4.801 -6.436 -15.675 1.00 0.00 C ATOM 861 C GLY A 57 3.704 -5.816 -14.845 1.00 0.00 C ATOM 862 O GLY A 57 3.987 -5.204 -13.815 1.00 0.00 O ATOM 0 H GLY A 57 6.073 -7.006 -14.124 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.906 -5.894 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.539 -7.464 -15.927 1.00 0.00 H new ATOM 866 N LEU A 58 2.463 -5.973 -15.267 1.00 0.00 N ATOM 867 CA LEU A 58 1.341 -5.411 -14.526 1.00 0.00 C ATOM 868 C LEU A 58 0.288 -6.472 -14.257 1.00 0.00 C ATOM 869 O LEU A 58 -0.063 -7.245 -15.146 1.00 0.00 O ATOM 870 CB LEU A 58 0.708 -4.233 -15.277 1.00 0.00 C ATOM 871 CG LEU A 58 1.498 -2.924 -15.249 1.00 0.00 C ATOM 872 CD1 LEU A 58 2.635 -2.931 -16.259 1.00 0.00 C ATOM 873 CD2 LEU A 58 0.577 -1.741 -15.489 1.00 0.00 C ATOM 0 H LEU A 58 2.204 -6.481 -16.113 1.00 0.00 H new ATOM 0 HA LEU A 58 1.730 -5.045 -13.576 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.563 -4.526 -16.317 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.281 -4.048 -14.857 1.00 0.00 H new ATOM 0 HG LEU A 58 1.941 -2.828 -14.258 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.172 -1.984 -16.209 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.319 -3.749 -16.031 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.230 -3.065 -17.262 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.157 -0.818 -15.466 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.098 -1.844 -16.463 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.186 -1.710 -14.711 1.00 0.00 H new ATOM 885 N VAL A 59 -0.205 -6.503 -13.030 1.00 0.00 N ATOM 886 CA VAL A 59 -1.242 -7.448 -12.636 1.00 0.00 C ATOM 887 C VAL A 59 -2.378 -6.718 -11.931 1.00 0.00 C ATOM 888 O VAL A 59 -2.159 -5.684 -11.301 1.00 0.00 O ATOM 889 CB VAL A 59 -0.696 -8.556 -11.706 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.270 -9.461 -12.455 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.024 -7.955 -10.473 1.00 0.00 C ATOM 0 H VAL A 59 0.098 -5.879 -12.282 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.608 -7.920 -13.548 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.540 -9.158 -11.371 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.642 -10.233 -11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.246 -9.929 -13.294 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.107 -8.871 -12.827 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.351 -8.756 -9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.806 -7.320 -10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.748 -7.359 -9.918 1.00 0.00 H new ATOM 901 N LYS A 60 -3.588 -7.240 -12.043 1.00 0.00 N ATOM 902 CA LYS A 60 -4.728 -6.623 -11.383 1.00 0.00 C ATOM 903 C LYS A 60 -5.117 -7.438 -10.155 1.00 0.00 C ATOM 904 O LYS A 60 -5.605 -8.564 -10.269 1.00 0.00 O ATOM 905 CB LYS A 60 -5.909 -6.496 -12.350 1.00 0.00 C ATOM 906 CG LYS A 60 -6.965 -5.497 -11.896 1.00 0.00 C ATOM 907 CD LYS A 60 -7.954 -5.184 -13.010 1.00 0.00 C ATOM 908 CE LYS A 60 -8.955 -6.310 -13.230 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.934 -6.408 -12.114 1.00 0.00 N ATOM 0 H LYS A 60 -3.806 -8.080 -12.578 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.450 -5.619 -11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.535 -6.197 -13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.375 -7.474 -12.472 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.500 -5.898 -11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.480 -4.577 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.491 -4.266 -12.769 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.408 -5.000 -13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.488 -6.144 -14.167 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.422 -7.255 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.712 -7.041 -12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.461 -6.788 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.314 -5.464 -11.902 1.00 0.00 H new ATOM 923 N VAL A 61 -4.877 -6.869 -8.981 1.00 0.00 N ATOM 924 CA VAL A 61 -5.110 -7.563 -7.724 1.00 0.00 C ATOM 925 C VAL A 61 -5.918 -6.676 -6.786 1.00 0.00 C ATOM 926 O VAL A 61 -5.604 -5.492 -6.627 1.00 0.00 O ATOM 927 CB VAL A 61 -3.785 -7.964 -7.030 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.057 -8.743 -5.750 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.903 -8.775 -7.967 1.00 0.00 C ATOM 0 H VAL A 61 -4.518 -5.920 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.663 -8.475 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.255 -7.048 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.111 -9.013 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.639 -8.126 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.616 -9.648 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.979 -9.044 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.428 -9.682 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.669 -8.182 -8.851 1.00 0.00 H new ATOM 939 N ASP A 62 -6.984 -7.244 -6.215 1.00 0.00 N ATOM 940 CA ASP A 62 -7.843 -6.542 -5.248 1.00 0.00 C ATOM 941 C ASP A 62 -8.691 -5.478 -5.944 1.00 0.00 C ATOM 942 O ASP A 62 -9.523 -4.811 -5.324 1.00 0.00 O ATOM 943 CB ASP A 62 -6.996 -5.921 -4.122 1.00 0.00 C ATOM 944 CG ASP A 62 -7.827 -5.325 -2.999 1.00 0.00 C ATOM 945 OD1 ASP A 62 -7.822 -4.084 -2.837 1.00 0.00 O ATOM 946 OD2 ASP A 62 -8.478 -6.097 -2.264 1.00 0.00 O ATOM 0 H ASP A 62 -7.278 -8.202 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.520 -7.270 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.337 -6.685 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.358 -5.144 -4.544 1.00 0.00 H new ATOM 952 N GLY A 63 -8.495 -5.342 -7.247 1.00 0.00 N ATOM 953 CA GLY A 63 -9.216 -4.351 -8.012 1.00 0.00 C ATOM 954 C GLY A 63 -8.286 -3.327 -8.624 1.00 0.00 C ATOM 955 O GLY A 63 -8.639 -2.662 -9.596 1.00 0.00 O ATOM 0 H GLY A 63 -7.843 -5.907 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.784 -4.844 -8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.937 -3.848 -7.367 1.00 0.00 H new ATOM 959 N GLU A 64 -7.088 -3.223 -8.068 1.00 0.00 N ATOM 960 CA GLU A 64 -6.107 -2.251 -8.525 1.00 0.00 C ATOM 961 C GLU A 64 -5.090 -2.912 -9.443 1.00 0.00 C ATOM 962 O GLU A 64 -4.892 -4.124 -9.388 1.00 0.00 O ATOM 963 CB GLU A 64 -5.383 -1.625 -7.330 1.00 0.00 C ATOM 964 CG GLU A 64 -6.269 -0.756 -6.450 1.00 0.00 C ATOM 965 CD GLU A 64 -6.779 0.474 -7.170 1.00 0.00 C ATOM 966 OE1 GLU A 64 -6.054 1.492 -7.209 1.00 0.00 O ATOM 967 OE2 GLU A 64 -7.909 0.435 -7.699 1.00 0.00 O ATOM 0 H GLU A 64 -6.770 -3.805 -7.293 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.632 -1.471 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.954 -2.421 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.552 -1.023 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.117 -1.345 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.708 -0.449 -5.567 1.00 0.00 H new ATOM 975 N THR A 65 -4.459 -2.121 -10.293 1.00 0.00 N ATOM 976 CA THR A 65 -3.390 -2.623 -11.133 1.00 0.00 C ATOM 977 C THR A 65 -2.038 -2.305 -10.500 1.00 0.00 C ATOM 978 O THR A 65 -1.713 -1.144 -10.243 1.00 0.00 O ATOM 979 CB THR A 65 -3.458 -2.021 -12.547 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.797 -2.117 -13.057 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.509 -2.743 -13.495 1.00 0.00 C ATOM 0 H THR A 65 -4.669 -1.131 -10.418 1.00 0.00 H new ATOM 0 HA THR A 65 -3.509 -3.703 -11.219 1.00 0.00 H new ATOM 0 HB THR A 65 -3.160 -0.975 -12.482 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.833 -1.730 -13.957 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.577 -2.297 -14.487 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.487 -2.652 -13.126 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.782 -3.797 -13.551 1.00 0.00 H new ATOM 989 N TRP A 66 -1.267 -3.342 -10.242 1.00 0.00 N ATOM 990 CA TRP A 66 0.022 -3.201 -9.585 1.00 0.00 C ATOM 991 C TRP A 66 1.130 -3.684 -10.506 1.00 0.00 C ATOM 992 O TRP A 66 0.865 -4.389 -11.482 1.00 0.00 O ATOM 993 CB TRP A 66 0.060 -4.017 -8.288 1.00 0.00 C ATOM 994 CG TRP A 66 -1.071 -3.731 -7.343 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.312 -4.297 -7.359 1.00 0.00 C ATOM 996 CD2 TRP A 66 -1.057 -2.827 -6.234 1.00 0.00 C ATOM 997 NE1 TRP A 66 -3.073 -3.798 -6.333 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.327 -2.892 -5.628 1.00 0.00 C ATOM 999 CE3 TRP A 66 -0.099 -1.967 -5.694 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.659 -2.129 -4.511 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 -0.430 -1.210 -4.587 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.700 -1.297 -4.003 1.00 0.00 C ATOM 0 H TRP A 66 -1.512 -4.303 -10.480 1.00 0.00 H new ATOM 0 HA TRP A 66 0.170 -2.147 -9.349 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.048 -5.077 -8.540 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.003 -3.821 -7.777 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.647 -5.032 -8.076 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.038 -4.059 -6.128 1.00 0.00 H new ATOM 0 HE3 TRP A 66 0.884 -1.895 -6.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.639 -2.192 -4.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.303 -0.539 -4.164 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.926 -0.696 -3.135 1.00 0.00 H new ATOM 1013 N ARG A 67 2.364 -3.312 -10.202 1.00 0.00 N ATOM 1014 CA ARG A 67 3.508 -3.822 -10.938 1.00 0.00 C ATOM 1015 C ARG A 67 3.883 -5.185 -10.386 1.00 0.00 C ATOM 1016 O ARG A 67 3.700 -5.452 -9.201 1.00 0.00 O ATOM 1017 CB ARG A 67 4.713 -2.878 -10.842 1.00 0.00 C ATOM 1018 CG ARG A 67 4.564 -1.574 -11.615 1.00 0.00 C ATOM 1019 CD ARG A 67 3.506 -0.678 -11.003 1.00 0.00 C ATOM 1020 NE ARG A 67 3.527 0.669 -11.566 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.800 1.682 -11.101 1.00 0.00 C ATOM 1022 NH1 ARG A 67 2.013 1.511 -10.046 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.869 2.870 -11.687 1.00 0.00 N ATOM 0 H ARG A 67 2.597 -2.661 -9.453 1.00 0.00 H new ATOM 0 HA ARG A 67 3.232 -3.899 -11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.891 -2.644 -9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.597 -3.401 -11.206 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.519 -1.050 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.302 -1.792 -12.650 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.522 -1.120 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.660 -0.621 -9.925 1.00 0.00 H new ATOM 0 HE ARG A 67 4.136 0.844 -12.365 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.964 0.601 -9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.457 2.290 -9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.479 3.006 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.312 3.647 -11.331 1.00 0.00 H new ATOM 1037 N ALA A 68 4.402 -6.047 -11.234 1.00 0.00 N ATOM 1038 CA ALA A 68 4.730 -7.399 -10.817 1.00 0.00 C ATOM 1039 C ALA A 68 6.095 -7.825 -11.331 1.00 0.00 C ATOM 1040 O ALA A 68 6.474 -7.510 -12.460 1.00 0.00 O ATOM 1041 CB ALA A 68 3.661 -8.366 -11.290 1.00 0.00 C ATOM 0 H ALA A 68 4.606 -5.840 -12.212 1.00 0.00 H new ATOM 0 HA ALA A 68 4.767 -7.414 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.918 -9.376 -10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.699 -8.084 -10.861 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.597 -8.334 -12.378 1.00 0.00 H new ATOM 1047 N THR A 69 6.826 -8.535 -10.490 1.00 0.00 N ATOM 1048 CA THR A 69 8.131 -9.061 -10.845 1.00 0.00 C ATOM 1049 C THR A 69 8.181 -10.564 -10.593 1.00 0.00 C ATOM 1050 O THR A 69 7.711 -11.042 -9.555 1.00 0.00 O ATOM 1051 CB THR A 69 9.246 -8.362 -10.042 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.875 -8.277 -8.660 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.519 -6.966 -10.583 1.00 0.00 C ATOM 0 H THR A 69 6.531 -8.763 -9.541 1.00 0.00 H new ATOM 0 HA THR A 69 8.294 -8.868 -11.905 1.00 0.00 H new ATOM 0 HB THR A 69 10.155 -8.955 -10.141 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.589 -7.833 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.310 -6.497 -9.997 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.831 -7.034 -11.625 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.612 -6.365 -10.514 1.00 0.00 H new ATOM 1061 N SER A 70 8.732 -11.303 -11.544 1.00 0.00 N ATOM 1062 CA SER A 70 8.803 -12.751 -11.440 1.00 0.00 C ATOM 1063 C SER A 70 10.158 -13.254 -11.932 1.00 0.00 C ATOM 1064 O SER A 70 10.862 -12.547 -12.651 1.00 0.00 O ATOM 1065 CB SER A 70 7.674 -13.386 -12.257 1.00 0.00 C ATOM 1066 OG SER A 70 6.408 -12.888 -11.854 1.00 0.00 O ATOM 0 H SER A 70 9.137 -10.921 -12.399 1.00 0.00 H new ATOM 0 HA SER A 70 8.689 -13.035 -10.394 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.828 -13.181 -13.316 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.698 -14.469 -12.135 1.00 0.00 H new ATOM 0 HG SER A 70 6.140 -13.317 -11.015 1.00 0.00 H new ATOM 1072 N GLY A 71 10.521 -14.471 -11.538 1.00 0.00 N ATOM 1073 CA GLY A 71 11.787 -15.046 -11.963 1.00 0.00 C ATOM 1074 C GLY A 71 11.690 -15.699 -13.328 1.00 0.00 C ATOM 1075 O GLY A 71 12.692 -16.158 -13.883 1.00 0.00 O ATOM 0 H GLY A 71 9.961 -15.070 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.548 -14.266 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.112 -15.785 -11.231 1.00 0.00 H new ATOM 1079 N THR A 72 10.479 -15.747 -13.861 1.00 0.00 N ATOM 1080 CA THR A 72 10.232 -16.326 -15.169 1.00 0.00 C ATOM 1081 C THR A 72 9.308 -15.403 -15.961 1.00 0.00 C ATOM 1082 O THR A 72 8.741 -14.469 -15.397 1.00 0.00 O ATOM 1083 CB THR A 72 9.587 -17.720 -15.044 1.00 0.00 C ATOM 1084 OG1 THR A 72 10.041 -18.360 -13.844 1.00 0.00 O ATOM 1085 CG2 THR A 72 9.946 -18.597 -16.237 1.00 0.00 C ATOM 0 H THR A 72 9.644 -15.387 -13.400 1.00 0.00 H new ATOM 0 HA THR A 72 11.185 -16.436 -15.687 1.00 0.00 H new ATOM 0 HB THR A 72 8.505 -17.589 -15.014 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.627 -19.245 -13.768 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.478 -19.575 -16.124 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.589 -18.128 -17.154 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.028 -18.716 -16.288 1.00 0.00 H new ATOM 1093 N VAL A 73 9.161 -15.653 -17.252 1.00 0.00 N ATOM 1094 CA VAL A 73 8.318 -14.814 -18.088 1.00 0.00 C ATOM 1095 C VAL A 73 6.862 -15.267 -18.007 1.00 0.00 C ATOM 1096 O VAL A 73 6.545 -16.439 -18.225 1.00 0.00 O ATOM 1097 CB VAL A 73 8.806 -14.791 -19.559 1.00 0.00 C ATOM 1098 CG1 VAL A 73 8.897 -16.193 -20.140 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.906 -13.911 -20.419 1.00 0.00 C ATOM 0 H VAL A 73 9.612 -16.426 -17.742 1.00 0.00 H new ATOM 0 HA VAL A 73 8.388 -13.795 -17.707 1.00 0.00 H new ATOM 0 HB VAL A 73 9.809 -14.364 -19.562 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.242 -16.137 -21.172 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.600 -16.785 -19.554 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.914 -16.663 -20.111 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.270 -13.912 -21.446 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.888 -14.299 -20.395 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.916 -12.892 -20.032 1.00 0.00 H new ATOM 1109 N LEU A 74 5.990 -14.331 -17.657 1.00 0.00 N ATOM 1110 CA LEU A 74 4.563 -14.601 -17.555 1.00 0.00 C ATOM 1111 C LEU A 74 3.808 -13.817 -18.619 1.00 0.00 C ATOM 1112 O LEU A 74 4.151 -12.669 -18.912 1.00 0.00 O ATOM 1113 CB LEU A 74 4.040 -14.233 -16.163 1.00 0.00 C ATOM 1114 CG LEU A 74 4.669 -15.008 -15.003 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.106 -14.530 -13.675 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.432 -16.503 -15.170 1.00 0.00 C ATOM 0 H LEU A 74 6.250 -13.369 -17.437 1.00 0.00 H new ATOM 0 HA LEU A 74 4.401 -15.667 -17.713 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.207 -13.168 -16.000 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.962 -14.393 -16.144 1.00 0.00 H new ATOM 0 HG LEU A 74 5.743 -14.824 -15.010 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.565 -15.092 -12.862 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.321 -13.469 -13.549 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.027 -14.685 -13.660 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.886 -17.039 -14.336 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.360 -16.702 -15.189 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.880 -16.840 -16.105 1.00 0.00 H new ATOM 1128 N ASP A 75 2.783 -14.431 -19.190 1.00 0.00 N ATOM 1129 CA ASP A 75 2.057 -13.818 -20.293 1.00 0.00 C ATOM 1130 C ASP A 75 0.768 -13.169 -19.804 1.00 0.00 C ATOM 1131 O ASP A 75 0.400 -13.286 -18.637 1.00 0.00 O ATOM 1132 CB ASP A 75 1.742 -14.854 -21.370 1.00 0.00 C ATOM 1133 CG ASP A 75 1.733 -14.261 -22.766 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.789 -13.513 -23.097 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.670 -14.551 -23.537 1.00 0.00 O ATOM 0 H ASP A 75 2.436 -15.348 -18.910 1.00 0.00 H new ATOM 0 HA ASP A 75 2.693 -13.044 -20.722 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.479 -15.655 -21.325 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.770 -15.303 -21.164 1.00 0.00 H new ATOM 1141 N VAL A 76 0.078 -12.516 -20.721 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.116 -11.746 -20.403 1.00 0.00 C ATOM 1143 C VAL A 76 -2.347 -12.646 -20.356 1.00 0.00 C ATOM 1144 O VAL A 76 -2.507 -13.542 -21.187 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.342 -10.616 -21.433 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.569 -9.787 -21.085 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.111 -9.733 -21.519 1.00 0.00 C ATOM 0 H VAL A 76 0.328 -12.503 -21.710 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.963 -11.300 -19.420 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.517 -11.075 -22.406 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.700 -9.001 -21.829 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.450 -10.428 -21.075 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.437 -9.337 -20.101 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.282 -8.941 -22.248 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.089 -9.291 -20.543 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.745 -10.332 -21.828 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.205 -12.410 -19.374 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.416 -13.193 -19.238 1.00 0.00 C ATOM 1159 C GLY A 77 -4.262 -14.315 -18.234 1.00 0.00 C ATOM 1160 O GLY A 77 -5.248 -14.915 -17.809 1.00 0.00 O ATOM 0 H GLY A 77 -3.083 -11.686 -18.666 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.235 -12.542 -18.930 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.688 -13.610 -20.208 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.023 -14.597 -17.852 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.738 -15.645 -16.900 1.00 0.00 C ATOM 1166 C GLU A 78 -3.160 -15.266 -15.493 1.00 0.00 C ATOM 1167 O GLU A 78 -3.426 -14.099 -15.193 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.254 -15.962 -16.914 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.818 -16.744 -18.128 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.596 -18.029 -18.301 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -2.190 -18.232 -19.380 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.623 -18.834 -17.350 1.00 0.00 O ATOM 0 H GLU A 78 -2.198 -14.106 -18.195 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.313 -16.522 -17.196 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.691 -15.030 -16.870 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.003 -16.528 -16.017 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.941 -16.126 -19.017 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.244 -16.975 -18.045 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.188 -16.263 -14.631 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.554 -16.052 -13.243 1.00 0.00 C ATOM 1182 C GLU A 79 -2.344 -16.240 -12.353 1.00 0.00 C ATOM 1183 O GLU A 79 -1.664 -17.267 -12.421 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.654 -17.009 -12.794 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.962 -16.851 -13.539 1.00 0.00 C ATOM 1186 CD GLU A 79 -7.131 -17.407 -12.753 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.273 -18.641 -12.668 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.909 -16.604 -12.198 1.00 0.00 O ATOM 0 H GLU A 79 -2.961 -17.229 -14.867 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.930 -15.032 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.301 -18.033 -12.917 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.836 -16.861 -11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.135 -15.795 -13.749 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.896 -17.360 -14.500 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.080 -15.253 -11.518 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.954 -15.320 -10.599 1.00 0.00 C ATOM 1198 C VAL A 80 -1.423 -15.179 -9.165 1.00 0.00 C ATOM 1199 O VAL A 80 -2.548 -14.763 -8.907 1.00 0.00 O ATOM 1200 CB VAL A 80 0.099 -14.226 -10.893 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.745 -14.452 -12.249 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.525 -12.841 -10.825 1.00 0.00 C ATOM 0 H VAL A 80 -2.628 -14.395 -11.455 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.490 -16.296 -10.743 1.00 0.00 H new ATOM 0 HB VAL A 80 0.873 -14.290 -10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.482 -13.671 -12.435 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.236 -15.425 -12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.019 -14.422 -13.026 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.235 -12.089 -11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.324 -12.765 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.934 -12.675 -9.828 1.00 0.00 H new ATOM 1212 N SER A 81 -0.570 -15.562 -8.239 1.00 0.00 N ATOM 1213 CA SER A 81 -0.835 -15.343 -6.830 1.00 0.00 C ATOM 1214 C SER A 81 0.304 -14.554 -6.202 1.00 0.00 C ATOM 1215 O SER A 81 1.476 -14.776 -6.519 1.00 0.00 O ATOM 1216 CB SER A 81 -1.037 -16.674 -6.110 1.00 0.00 C ATOM 1217 OG SER A 81 -2.153 -17.363 -6.639 1.00 0.00 O ATOM 0 H SER A 81 0.316 -16.028 -8.436 1.00 0.00 H new ATOM 0 HA SER A 81 -1.753 -14.764 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.142 -17.288 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.183 -16.498 -5.044 1.00 0.00 H new ATOM 0 HG SER A 81 -2.616 -17.838 -5.918 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.041 -13.617 -5.338 1.00 0.00 N ATOM 1224 CA VAL A 82 0.950 -12.752 -4.727 1.00 0.00 C ATOM 1225 C VAL A 82 1.539 -13.401 -3.480 1.00 0.00 C ATOM 1226 O VAL A 82 0.823 -13.673 -2.516 1.00 0.00 O ATOM 1227 CB VAL A 82 0.340 -11.389 -4.344 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.405 -10.445 -3.809 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.383 -10.769 -5.528 1.00 0.00 C ATOM 0 H VAL A 82 -1.001 -13.436 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 82 1.739 -12.595 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.388 -11.559 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.947 -9.491 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.867 -10.882 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.166 -10.284 -4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.805 -9.808 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.321 -10.621 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.184 -11.433 -5.853 1.00 0.00 H new ATOM 1239 N LYS A 83 2.840 -13.661 -3.510 1.00 0.00 N ATOM 1240 CA LYS A 83 3.514 -14.293 -2.398 1.00 0.00 C ATOM 1241 C LYS A 83 4.308 -13.292 -1.560 1.00 0.00 C ATOM 1242 O LYS A 83 4.491 -13.493 -0.359 1.00 0.00 O ATOM 1243 CB LYS A 83 4.426 -15.386 -2.920 1.00 0.00 C ATOM 1244 CG LYS A 83 3.669 -16.635 -3.335 1.00 0.00 C ATOM 1245 CD LYS A 83 4.615 -17.755 -3.712 1.00 0.00 C ATOM 1246 CE LYS A 83 3.860 -18.973 -4.220 1.00 0.00 C ATOM 1247 NZ LYS A 83 4.778 -20.080 -4.606 1.00 0.00 N ATOM 0 H LYS A 83 3.447 -13.440 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 83 2.756 -14.723 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.988 -15.007 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.152 -15.646 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.025 -16.960 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.020 -16.405 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.305 -17.407 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.216 -18.033 -2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.176 -19.323 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.252 -18.690 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.294 -20.717 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.626 -19.685 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.057 -20.612 -3.757 1.00 0.00 H new ATOM 1261 N ALA A 84 4.774 -12.212 -2.184 1.00 0.00 N ATOM 1262 CA ALA A 84 5.562 -11.210 -1.471 1.00 0.00 C ATOM 1263 C ALA A 84 5.367 -9.817 -2.067 1.00 0.00 C ATOM 1264 O ALA A 84 4.853 -9.673 -3.178 1.00 0.00 O ATOM 1265 CB ALA A 84 7.036 -11.587 -1.477 1.00 0.00 C ATOM 0 H ALA A 84 4.622 -12.010 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 84 5.209 -11.184 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.608 -10.829 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.167 -12.553 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.391 -11.650 -2.506 1.00 0.00 H new ATOM 1271 N ILE A 85 5.783 -8.799 -1.321 1.00 0.00 N ATOM 1272 CA ILE A 85 5.659 -7.413 -1.755 1.00 0.00 C ATOM 1273 C ILE A 85 7.044 -6.782 -1.905 1.00 0.00 C ATOM 1274 O ILE A 85 7.917 -6.984 -1.062 1.00 0.00 O ATOM 1275 CB ILE A 85 4.826 -6.579 -0.751 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.453 -7.221 -0.534 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.669 -5.146 -1.246 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.615 -6.523 0.512 1.00 0.00 C ATOM 0 H ILE A 85 6.213 -8.911 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 85 5.146 -7.413 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 85 5.355 -6.559 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.910 -7.225 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.591 -8.262 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.081 -4.575 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.652 -4.689 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.161 -5.148 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.657 -7.034 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.137 -6.542 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.446 -5.489 0.212 1.00 0.00 H new ATOM 1290 N GLU A 86 7.235 -6.028 -2.978 1.00 0.00 N ATOM 1291 CA GLU A 86 8.502 -5.363 -3.255 1.00 0.00 C ATOM 1292 C GLU A 86 8.243 -3.873 -3.521 1.00 0.00 C ATOM 1293 O GLU A 86 8.758 -3.284 -4.473 1.00 0.00 O ATOM 1294 CB GLU A 86 9.179 -6.044 -4.461 1.00 0.00 C ATOM 1295 CG GLU A 86 10.573 -5.527 -4.794 1.00 0.00 C ATOM 1296 CD GLU A 86 11.572 -5.735 -3.674 1.00 0.00 C ATOM 1297 OE1 GLU A 86 11.603 -4.910 -2.736 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.358 -6.707 -3.746 1.00 0.00 O ATOM 0 H GLU A 86 6.516 -5.859 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 86 9.172 -5.444 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.242 -7.115 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.542 -5.916 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.934 -6.029 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.513 -4.464 -5.025 1.00 0.00 H new ATOM 1306 N GLY A 87 7.418 -3.272 -2.672 1.00 0.00 N ATOM 1307 CA GLY A 87 7.063 -1.872 -2.834 1.00 0.00 C ATOM 1308 C GLY A 87 5.873 -1.697 -3.751 1.00 0.00 C ATOM 1309 O GLY A 87 4.798 -2.234 -3.491 1.00 0.00 O ATOM 0 H GLY A 87 6.986 -3.731 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.838 -1.439 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.916 -1.325 -3.236 1.00 0.00 H new ATOM 1313 N VAL A 88 6.070 -0.956 -4.835 1.00 0.00 N ATOM 1314 CA VAL A 88 5.031 -0.786 -5.847 1.00 0.00 C ATOM 1315 C VAL A 88 4.988 -2.002 -6.762 1.00 0.00 C ATOM 1316 O VAL A 88 4.108 -2.131 -7.617 1.00 0.00 O ATOM 1317 CB VAL A 88 5.247 0.487 -6.697 1.00 0.00 C ATOM 1318 CG1 VAL A 88 5.228 1.726 -5.819 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.547 0.413 -7.484 1.00 0.00 C ATOM 0 H VAL A 88 6.940 -0.463 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 88 4.083 -0.680 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 88 4.426 0.553 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.382 2.611 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.265 1.799 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.023 1.658 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.669 1.323 -8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.385 0.311 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.520 -0.448 -8.151 1.00 0.00 H new ATOM 1329 N LYS A 89 5.957 -2.884 -6.564 1.00 0.00 N ATOM 1330 CA LYS A 89 6.062 -4.117 -7.318 1.00 0.00 C ATOM 1331 C LYS A 89 5.672 -5.285 -6.428 1.00 0.00 C ATOM 1332 O LYS A 89 5.963 -5.282 -5.236 1.00 0.00 O ATOM 1333 CB LYS A 89 7.497 -4.306 -7.814 1.00 0.00 C ATOM 1334 CG LYS A 89 8.038 -3.126 -8.611 1.00 0.00 C ATOM 1335 CD LYS A 89 9.556 -3.182 -8.736 1.00 0.00 C ATOM 1336 CE LYS A 89 10.226 -3.078 -7.374 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.709 -3.095 -7.473 1.00 0.00 N ATOM 0 H LYS A 89 6.695 -2.760 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 89 5.393 -4.072 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.147 -4.480 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.541 -5.201 -8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.590 -3.122 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.746 -2.194 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.849 -4.115 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.901 -2.370 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.907 -2.158 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.896 -3.905 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.121 -3.022 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.017 -3.984 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.028 -2.291 -8.051 1.00 0.00 H new ATOM 1351 N LEU A 90 5.005 -6.270 -6.989 1.00 0.00 N ATOM 1352 CA LEU A 90 4.638 -7.451 -6.233 1.00 0.00 C ATOM 1353 C LEU A 90 5.419 -8.656 -6.728 1.00 0.00 C ATOM 1354 O LEU A 90 5.757 -8.754 -7.909 1.00 0.00 O ATOM 1355 CB LEU A 90 3.138 -7.726 -6.344 1.00 0.00 C ATOM 1356 CG LEU A 90 2.224 -6.590 -5.883 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.768 -6.979 -6.069 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.497 -6.235 -4.427 1.00 0.00 C ATOM 0 H LEU A 90 4.705 -6.278 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 90 4.881 -7.271 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.905 -7.957 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.905 -8.616 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 90 2.433 -5.711 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.128 -6.162 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.578 -7.184 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.552 -7.871 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.836 -5.425 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.317 -7.108 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.534 -5.918 -4.318 1.00 0.00 H new ATOM 1370 N VAL A 91 5.710 -9.563 -5.815 1.00 0.00 N ATOM 1371 CA VAL A 91 6.379 -10.803 -6.158 1.00 0.00 C ATOM 1372 C VAL A 91 5.331 -11.875 -6.386 1.00 0.00 C ATOM 1373 O VAL A 91 4.752 -12.416 -5.437 1.00 0.00 O ATOM 1374 CB VAL A 91 7.363 -11.253 -5.056 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.088 -12.525 -5.473 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.358 -10.143 -4.737 1.00 0.00 C ATOM 0 H VAL A 91 5.492 -9.463 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 91 6.963 -10.641 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 91 6.792 -11.467 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.777 -12.827 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.361 -13.319 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.646 -12.341 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.042 -10.480 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.924 -9.893 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.820 -9.261 -4.390 1.00 0.00 H new ATOM 1386 N VAL A 92 5.061 -12.148 -7.649 1.00 0.00 N ATOM 1387 CA VAL A 92 3.991 -13.053 -8.014 1.00 0.00 C ATOM 1388 C VAL A 92 4.497 -14.166 -8.911 1.00 0.00 C ATOM 1389 O VAL A 92 5.546 -14.046 -9.548 1.00 0.00 O ATOM 1390 CB VAL A 92 2.841 -12.317 -8.742 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.265 -11.213 -7.870 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.312 -11.756 -10.076 1.00 0.00 C ATOM 0 H VAL A 92 5.570 -11.754 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 92 3.612 -13.474 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 92 2.052 -13.042 -8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.458 -10.711 -8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.876 -11.644 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.047 -10.492 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.485 -11.244 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.126 -11.052 -9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.662 -12.571 -10.710 1.00 0.00 H new ATOM 1402 N GLU A 93 3.747 -15.249 -8.951 1.00 0.00 N ATOM 1403 CA GLU A 93 4.012 -16.333 -9.887 1.00 0.00 C ATOM 1404 C GLU A 93 2.704 -16.957 -10.336 1.00 0.00 C ATOM 1405 O GLU A 93 1.659 -16.733 -9.718 1.00 0.00 O ATOM 1406 CB GLU A 93 4.920 -17.404 -9.279 1.00 0.00 C ATOM 1407 CG GLU A 93 4.421 -17.964 -7.959 1.00 0.00 C ATOM 1408 CD GLU A 93 5.276 -19.105 -7.454 1.00 0.00 C ATOM 1409 OE1 GLU A 93 5.065 -20.251 -7.899 1.00 0.00 O ATOM 1410 OE2 GLU A 93 6.140 -18.867 -6.580 1.00 0.00 O ATOM 0 H GLU A 93 2.943 -15.406 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 93 4.532 -15.909 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.026 -18.222 -9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.913 -16.981 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.405 -17.169 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.394 -18.309 -8.079 1.00 0.00 H new ATOM 1418 N LYS A 94 2.764 -17.738 -11.405 1.00 0.00 N ATOM 1419 CA LYS A 94 1.565 -18.347 -11.964 1.00 0.00 C ATOM 1420 C LYS A 94 1.058 -19.460 -11.067 1.00 0.00 C ATOM 1421 O LYS A 94 1.827 -20.285 -10.578 1.00 0.00 O ATOM 1422 CB LYS A 94 1.821 -18.911 -13.364 1.00 0.00 C ATOM 1423 CG LYS A 94 0.625 -19.665 -13.933 1.00 0.00 C ATOM 1424 CD LYS A 94 0.928 -20.288 -15.286 1.00 0.00 C ATOM 1425 CE LYS A 94 -0.127 -21.318 -15.673 1.00 0.00 C ATOM 1426 NZ LYS A 94 -1.501 -20.751 -15.645 1.00 0.00 N ATOM 0 H LYS A 94 3.626 -17.964 -11.901 1.00 0.00 H new ATOM 0 HA LYS A 94 0.812 -17.562 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.081 -18.094 -14.037 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.681 -19.580 -13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.325 -20.446 -13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.219 -18.983 -14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.973 -19.508 -16.046 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.909 -20.762 -15.258 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.087 -21.698 -16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.072 -22.166 -14.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.144 -21.372 -16.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.827 -20.679 -14.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.495 -19.805 -16.078 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.239 -19.475 -10.864 1.00 0.00 N ATOM 1441 CA LEU A 95 -0.877 -20.525 -10.102 1.00 0.00 C ATOM 1442 C LEU A 95 -1.671 -21.434 -11.029 1.00 0.00 C ATOM 1443 O LEU A 95 -1.978 -21.060 -12.167 1.00 0.00 O ATOM 1444 CB LEU A 95 -1.784 -19.917 -9.034 1.00 0.00 C ATOM 1445 CG LEU A 95 -1.345 -20.161 -7.586 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -1.598 -21.606 -7.183 1.00 0.00 C ATOM 1447 CD2 LEU A 95 0.128 -19.811 -7.402 1.00 0.00 C ATOM 0 H LEU A 95 -0.879 -18.765 -11.220 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.112 -21.123 -9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.845 -18.842 -9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.790 -20.317 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.938 -19.513 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.279 -21.757 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.662 -21.827 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.035 -22.270 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.418 -19.992 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.734 -20.431 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.285 -18.760 -7.645 1.00 0.00 H new