USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= 0.679 K(o=0.72,f=-7.4!) USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= 0.682 (180deg=-0.631!) USER MOD Single : A 48 MET CE :methyl 154:sc= -0.243 (180deg=-1.08) USER MOD Single : A 52 SER OG : rot 25:sc= 0.108 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 26:sc= -0.0201 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 150:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0669 USER MOD Single : A 81 SER OG : rot 180:sc= -0.182 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= 1.14 (180deg=0.905) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0.899 (180deg=0.873) USER MOD Single : A 94 LYS NZ :NH3+ -117:sc= 0.54 (180deg=0.334) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.410 -8.495 0.187 1.00 0.00 N ATOM 601 CA LEU A 40 -3.298 -8.888 -1.207 1.00 0.00 C ATOM 602 C LEU A 40 -2.425 -10.131 -1.322 1.00 0.00 C ATOM 603 O LEU A 40 -2.439 -10.828 -2.336 1.00 0.00 O ATOM 604 CB LEU A 40 -2.714 -7.746 -2.039 1.00 0.00 C ATOM 605 CG LEU A 40 -3.509 -6.435 -1.996 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.887 -5.406 -2.924 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.970 -6.670 -2.369 1.00 0.00 C ATOM 0 HA LEU A 40 -4.292 -9.116 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.699 -7.548 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.640 -8.074 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.475 -6.053 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.464 -4.482 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.861 -5.208 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.889 -5.788 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.512 -5.725 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.027 -7.080 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.417 -7.373 -1.666 1.00 0.00 H new ATOM 619 N ILE A 41 -1.679 -10.406 -0.259 1.00 0.00 N ATOM 620 CA ILE A 41 -0.796 -11.560 -0.211 1.00 0.00 C ATOM 621 C ILE A 41 -1.601 -12.830 0.015 1.00 0.00 C ATOM 622 O ILE A 41 -2.368 -12.933 0.975 1.00 0.00 O ATOM 623 CB ILE A 41 0.263 -11.417 0.908 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.065 -10.123 0.729 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.193 -12.623 0.930 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.842 -10.061 -0.566 1.00 0.00 C ATOM 0 H ILE A 41 -1.670 -9.838 0.588 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.279 -11.618 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.258 -11.371 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.382 -9.274 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.758 -10.018 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.929 -12.500 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.612 -13.527 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.705 -12.706 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.384 -9.117 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.550 -10.888 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.153 -10.133 -1.408 1.00 0.00 H new ATOM 638 N GLY A 42 -1.435 -13.783 -0.884 1.00 0.00 N ATOM 639 CA GLY A 42 -2.143 -15.034 -0.771 1.00 0.00 C ATOM 640 C GLY A 42 -3.395 -15.075 -1.625 1.00 0.00 C ATOM 641 O GLY A 42 -4.176 -16.024 -1.539 1.00 0.00 O ATOM 0 H GLY A 42 -0.819 -13.711 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.481 -15.849 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.413 -15.201 0.272 1.00 0.00 H new ATOM 645 N ARG A 43 -3.600 -14.044 -2.438 1.00 0.00 N ATOM 646 CA ARG A 43 -4.731 -14.009 -3.354 1.00 0.00 C ATOM 647 C ARG A 43 -4.266 -14.040 -4.801 1.00 0.00 C ATOM 648 O ARG A 43 -3.069 -13.920 -5.087 1.00 0.00 O ATOM 649 CB ARG A 43 -5.602 -12.776 -3.121 1.00 0.00 C ATOM 650 CG ARG A 43 -6.637 -12.959 -2.025 1.00 0.00 C ATOM 651 CD ARG A 43 -7.676 -11.853 -2.057 1.00 0.00 C ATOM 652 NE ARG A 43 -8.813 -12.145 -1.185 1.00 0.00 N ATOM 653 CZ ARG A 43 -10.086 -11.919 -1.518 1.00 0.00 C ATOM 654 NH1 ARG A 43 -10.390 -11.428 -2.716 1.00 0.00 N ATOM 655 NH2 ARG A 43 -11.058 -12.196 -0.659 1.00 0.00 N ATOM 0 H ARG A 43 -2.997 -13.222 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.329 -14.899 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.961 -11.932 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.111 -12.521 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.128 -13.925 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.143 -12.969 -1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.216 -10.914 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.029 -11.716 -3.079 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.622 -12.546 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.649 -11.222 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.364 -11.257 -2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.834 -12.582 0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.030 -12.023 -0.915 1.00 0.00 H new ATOM 669 N LYS A 44 -5.222 -14.204 -5.703 1.00 0.00 N ATOM 670 CA LYS A 44 -4.940 -14.281 -7.123 1.00 0.00 C ATOM 671 C LYS A 44 -4.958 -12.899 -7.763 1.00 0.00 C ATOM 672 O LYS A 44 -5.749 -12.032 -7.387 1.00 0.00 O ATOM 673 CB LYS A 44 -5.975 -15.163 -7.822 1.00 0.00 C ATOM 674 CG LYS A 44 -5.628 -15.459 -9.268 1.00 0.00 C ATOM 675 CD LYS A 44 -6.861 -15.723 -10.118 1.00 0.00 C ATOM 676 CE LYS A 44 -7.650 -16.935 -9.644 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.723 -17.298 -10.611 1.00 0.00 N ATOM 0 H LYS A 44 -6.211 -14.287 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.946 -14.713 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.069 -16.103 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.948 -14.673 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.076 -14.617 -9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.968 -16.326 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.506 -14.844 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.558 -15.874 -11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.976 -17.781 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.092 -16.725 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.481 -17.808 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.111 -16.434 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.328 -17.906 -11.356 1.00 0.00 H new ATOM 691 N GLY A 45 -4.087 -12.716 -8.735 1.00 0.00 N ATOM 692 CA GLY A 45 -4.089 -11.521 -9.543 1.00 0.00 C ATOM 693 C GLY A 45 -4.001 -11.884 -11.005 1.00 0.00 C ATOM 694 O GLY A 45 -3.349 -12.859 -11.358 1.00 0.00 O ATOM 0 H GLY A 45 -3.363 -13.390 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.997 -10.948 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.248 -10.885 -9.267 1.00 0.00 H new ATOM 698 N VAL A 46 -4.661 -11.137 -11.854 1.00 0.00 N ATOM 699 CA VAL A 46 -4.656 -11.427 -13.280 1.00 0.00 C ATOM 700 C VAL A 46 -3.609 -10.577 -13.997 1.00 0.00 C ATOM 701 O VAL A 46 -3.398 -9.415 -13.653 1.00 0.00 O ATOM 702 CB VAL A 46 -6.056 -11.199 -13.905 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.503 -9.755 -13.741 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.078 -11.605 -15.371 1.00 0.00 C ATOM 0 H VAL A 46 -5.212 -10.320 -11.589 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.398 -12.479 -13.405 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.761 -11.834 -13.369 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.488 -9.626 -14.189 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.551 -9.507 -12.681 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.790 -9.095 -14.236 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.073 -11.433 -15.781 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.350 -11.011 -15.924 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.826 -12.662 -15.460 1.00 0.00 H new ATOM 714 N VAL A 47 -2.963 -11.157 -14.994 1.00 0.00 N ATOM 715 CA VAL A 47 -1.897 -10.478 -15.713 1.00 0.00 C ATOM 716 C VAL A 47 -2.460 -9.619 -16.838 1.00 0.00 C ATOM 717 O VAL A 47 -2.987 -10.139 -17.823 1.00 0.00 O ATOM 718 CB VAL A 47 -0.888 -11.488 -16.296 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.253 -10.773 -16.993 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.360 -12.415 -15.207 1.00 0.00 C ATOM 0 H VAL A 47 -3.159 -12.101 -15.326 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.382 -9.837 -14.998 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.409 -12.095 -17.037 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.951 -11.507 -17.395 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.142 -10.164 -17.806 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.772 -10.133 -16.279 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.350 -13.119 -15.641 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.138 -11.825 -14.437 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.190 -12.964 -14.763 1.00 0.00 H new ATOM 730 N MET A 48 -2.346 -8.306 -16.684 1.00 0.00 N ATOM 731 CA MET A 48 -2.804 -7.371 -17.702 1.00 0.00 C ATOM 732 C MET A 48 -1.675 -7.053 -18.673 1.00 0.00 C ATOM 733 O MET A 48 -1.897 -6.903 -19.874 1.00 0.00 O ATOM 734 CB MET A 48 -3.317 -6.076 -17.067 1.00 0.00 C ATOM 735 CG MET A 48 -4.527 -6.255 -16.171 1.00 0.00 C ATOM 736 SD MET A 48 -5.215 -4.680 -15.625 1.00 0.00 S ATOM 737 CE MET A 48 -5.719 -3.981 -17.198 1.00 0.00 C ATOM 0 H MET A 48 -1.938 -7.864 -15.860 1.00 0.00 H new ATOM 0 HA MET A 48 -3.625 -7.841 -18.244 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.512 -5.627 -16.485 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.568 -5.371 -17.860 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.292 -6.817 -16.706 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.247 -6.848 -15.300 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.536 -3.278 -17.038 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.876 -3.460 -17.652 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.052 -4.780 -17.861 1.00 0.00 H new ATOM 747 N GLU A 49 -0.466 -6.948 -18.144 1.00 0.00 N ATOM 748 CA GLU A 49 0.702 -6.673 -18.965 1.00 0.00 C ATOM 749 C GLU A 49 1.742 -7.766 -18.760 1.00 0.00 C ATOM 750 O GLU A 49 1.938 -8.232 -17.639 1.00 0.00 O ATOM 751 CB GLU A 49 1.283 -5.301 -18.621 1.00 0.00 C ATOM 752 CG GLU A 49 2.397 -4.864 -19.555 1.00 0.00 C ATOM 753 CD GLU A 49 1.951 -4.826 -21.001 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.369 -3.802 -21.419 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.175 -5.821 -21.723 1.00 0.00 O ATOM 0 H GLU A 49 -0.268 -7.049 -17.149 1.00 0.00 H new ATOM 0 HA GLU A 49 0.407 -6.662 -20.014 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.484 -4.560 -18.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.663 -5.322 -17.600 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.749 -3.876 -19.260 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.241 -5.547 -19.455 1.00 0.00 H new ATOM 763 N ALA A 50 2.399 -8.156 -19.844 1.00 0.00 N ATOM 764 CA ALA A 50 3.330 -9.278 -19.833 1.00 0.00 C ATOM 765 C ALA A 50 4.464 -9.077 -18.829 1.00 0.00 C ATOM 766 O ALA A 50 5.265 -8.149 -18.950 1.00 0.00 O ATOM 767 CB ALA A 50 3.893 -9.490 -21.230 1.00 0.00 C ATOM 0 H ALA A 50 2.303 -7.705 -20.754 1.00 0.00 H new ATOM 0 HA ALA A 50 2.779 -10.165 -19.520 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.588 -10.329 -21.219 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.078 -9.703 -21.922 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.416 -8.590 -21.552 1.00 0.00 H new ATOM 773 N ILE A 51 4.517 -9.957 -17.839 1.00 0.00 N ATOM 774 CA ILE A 51 5.580 -9.945 -16.848 1.00 0.00 C ATOM 775 C ILE A 51 6.774 -10.733 -17.371 1.00 0.00 C ATOM 776 O ILE A 51 6.607 -11.772 -18.008 1.00 0.00 O ATOM 777 CB ILE A 51 5.103 -10.551 -15.509 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.859 -9.815 -15.007 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.217 -10.485 -14.468 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.197 -10.487 -13.829 1.00 0.00 C ATOM 0 H ILE A 51 3.827 -10.696 -17.702 1.00 0.00 H new ATOM 0 HA ILE A 51 5.869 -8.909 -16.669 1.00 0.00 H new ATOM 0 HB ILE A 51 4.845 -11.597 -15.673 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.136 -8.799 -14.727 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.139 -9.736 -15.822 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.865 -10.916 -13.531 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.081 -11.046 -14.824 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.502 -9.446 -14.305 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.322 -9.911 -13.526 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.889 -11.494 -14.110 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.901 -10.542 -12.999 1.00 0.00 H new ATOM 792 N SER A 52 7.973 -10.235 -17.124 1.00 0.00 N ATOM 793 CA SER A 52 9.167 -10.877 -17.637 1.00 0.00 C ATOM 794 C SER A 52 10.363 -10.629 -16.728 1.00 0.00 C ATOM 795 O SER A 52 10.338 -9.730 -15.889 1.00 0.00 O ATOM 796 CB SER A 52 9.459 -10.351 -19.041 1.00 0.00 C ATOM 797 OG SER A 52 9.267 -8.944 -19.110 1.00 0.00 O ATOM 0 H SER A 52 8.144 -9.393 -16.574 1.00 0.00 H new ATOM 0 HA SER A 52 8.994 -11.953 -17.673 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.484 -10.595 -19.318 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.807 -10.846 -19.761 1.00 0.00 H new ATOM 0 HG SER A 52 9.373 -8.555 -18.217 1.00 0.00 H new ATOM 803 N PRO A 53 11.421 -11.440 -16.878 1.00 0.00 N ATOM 804 CA PRO A 53 12.700 -11.202 -16.205 1.00 0.00 C ATOM 805 C PRO A 53 13.374 -9.934 -16.730 1.00 0.00 C ATOM 806 O PRO A 53 14.296 -9.400 -16.114 1.00 0.00 O ATOM 807 CB PRO A 53 13.543 -12.435 -16.555 1.00 0.00 C ATOM 808 CG PRO A 53 12.581 -13.444 -17.093 1.00 0.00 C ATOM 809 CD PRO A 53 11.442 -12.668 -17.685 1.00 0.00 C ATOM 0 HA PRO A 53 12.578 -11.059 -15.131 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.307 -12.190 -17.293 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.061 -12.818 -15.675 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.057 -14.071 -17.847 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.230 -14.107 -16.302 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.606 -12.454 -18.741 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.501 -13.214 -17.613 1.00 0.00 H new ATOM 817 N GLN A 54 12.904 -9.466 -17.882 1.00 0.00 N ATOM 818 CA GLN A 54 13.413 -8.245 -18.487 1.00 0.00 C ATOM 819 C GLN A 54 12.981 -7.037 -17.665 1.00 0.00 C ATOM 820 O GLN A 54 13.796 -6.177 -17.332 1.00 0.00 O ATOM 821 CB GLN A 54 12.902 -8.113 -19.923 1.00 0.00 C ATOM 822 CG GLN A 54 13.639 -7.067 -20.746 1.00 0.00 C ATOM 823 CD GLN A 54 13.015 -6.861 -22.115 1.00 0.00 C ATOM 824 OE1 GLN A 54 13.346 -7.562 -23.074 1.00 0.00 O ATOM 825 NE2 GLN A 54 12.118 -5.893 -22.225 1.00 0.00 N ATOM 0 H GLN A 54 12.165 -9.921 -18.418 1.00 0.00 H new ATOM 0 HA GLN A 54 14.502 -8.290 -18.506 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.989 -9.079 -20.420 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.842 -7.861 -19.899 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.643 -6.120 -20.206 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.679 -7.370 -20.866 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.869 -5.333 -21.409 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.676 -5.707 -23.125 1.00 0.00 H new ATOM 834 N ASN A 55 11.697 -6.984 -17.338 1.00 0.00 N ATOM 835 CA ASN A 55 11.169 -5.933 -16.481 1.00 0.00 C ATOM 836 C ASN A 55 9.797 -6.337 -15.957 1.00 0.00 C ATOM 837 O ASN A 55 9.181 -7.280 -16.466 1.00 0.00 O ATOM 838 CB ASN A 55 11.070 -4.600 -17.233 1.00 0.00 C ATOM 839 CG ASN A 55 11.182 -3.391 -16.310 1.00 0.00 C ATOM 840 OD1 ASN A 55 10.842 -3.448 -15.125 1.00 0.00 O ATOM 841 ND2 ASN A 55 11.672 -2.287 -16.846 1.00 0.00 N ATOM 0 H ASN A 55 11.001 -7.659 -17.655 1.00 0.00 H new ATOM 0 HA ASN A 55 11.855 -5.798 -15.644 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.859 -4.552 -17.984 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.120 -4.558 -17.765 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.779 -1.448 -16.277 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.943 -2.274 -17.829 1.00 0.00 H new ATOM 848 N SER A 56 9.327 -5.605 -14.957 1.00 0.00 N ATOM 849 CA SER A 56 8.088 -5.913 -14.261 1.00 0.00 C ATOM 850 C SER A 56 6.877 -5.811 -15.185 1.00 0.00 C ATOM 851 O SER A 56 6.898 -5.081 -16.177 1.00 0.00 O ATOM 852 CB SER A 56 7.915 -4.937 -13.098 1.00 0.00 C ATOM 853 OG SER A 56 9.163 -4.655 -12.482 1.00 0.00 O ATOM 0 H SER A 56 9.800 -4.773 -14.604 1.00 0.00 H new ATOM 0 HA SER A 56 8.149 -6.940 -13.900 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.466 -4.012 -13.459 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.229 -5.359 -12.363 1.00 0.00 H new ATOM 0 HG SER A 56 9.028 -4.027 -11.742 1.00 0.00 H new ATOM 859 N GLY A 57 5.824 -6.542 -14.842 1.00 0.00 N ATOM 860 CA GLY A 57 4.583 -6.457 -15.580 1.00 0.00 C ATOM 861 C GLY A 57 3.488 -5.844 -14.738 1.00 0.00 C ATOM 862 O GLY A 57 3.737 -5.414 -13.612 1.00 0.00 O ATOM 0 H GLY A 57 5.810 -7.196 -14.060 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.732 -5.859 -16.479 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.281 -7.453 -15.905 1.00 0.00 H new ATOM 866 N LEU A 58 2.279 -5.813 -15.264 1.00 0.00 N ATOM 867 CA LEU A 58 1.159 -5.209 -14.558 1.00 0.00 C ATOM 868 C LEU A 58 0.057 -6.235 -14.323 1.00 0.00 C ATOM 869 O LEU A 58 -0.424 -6.869 -15.266 1.00 0.00 O ATOM 870 CB LEU A 58 0.604 -4.019 -15.350 1.00 0.00 C ATOM 871 CG LEU A 58 1.551 -2.828 -15.499 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.907 -1.742 -16.349 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.933 -2.278 -14.135 1.00 0.00 C ATOM 0 H LEU A 58 2.044 -6.199 -16.179 1.00 0.00 H new ATOM 0 HA LEU A 58 1.518 -4.853 -13.592 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.325 -4.366 -16.345 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.309 -3.676 -14.864 1.00 0.00 H new ATOM 0 HG LEU A 58 2.458 -3.168 -15.999 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.593 -0.901 -16.446 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.680 -2.141 -17.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.014 -1.406 -15.873 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.607 -1.431 -14.260 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.035 -1.953 -13.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.431 -3.056 -13.556 1.00 0.00 H new ATOM 885 N VAL A 59 -0.330 -6.408 -13.068 1.00 0.00 N ATOM 886 CA VAL A 59 -1.397 -7.334 -12.716 1.00 0.00 C ATOM 887 C VAL A 59 -2.524 -6.607 -12.004 1.00 0.00 C ATOM 888 O VAL A 59 -2.288 -5.671 -11.240 1.00 0.00 O ATOM 889 CB VAL A 59 -0.890 -8.492 -11.822 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.075 -9.382 -12.587 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.219 -7.959 -10.566 1.00 0.00 C ATOM 0 H VAL A 59 0.080 -5.917 -12.273 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.766 -7.760 -13.649 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.756 -9.085 -11.527 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.418 -10.188 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.430 -9.804 -13.456 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.931 -8.792 -12.916 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.127 -8.794 -9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.631 -7.335 -10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.933 -7.365 -9.996 1.00 0.00 H new ATOM 901 N LYS A 60 -3.747 -7.028 -12.270 1.00 0.00 N ATOM 902 CA LYS A 60 -4.902 -6.462 -11.608 1.00 0.00 C ATOM 903 C LYS A 60 -5.252 -7.316 -10.402 1.00 0.00 C ATOM 904 O LYS A 60 -5.624 -8.484 -10.543 1.00 0.00 O ATOM 905 CB LYS A 60 -6.087 -6.374 -12.570 1.00 0.00 C ATOM 906 CG LYS A 60 -7.306 -5.687 -11.971 1.00 0.00 C ATOM 907 CD LYS A 60 -8.471 -5.658 -12.948 1.00 0.00 C ATOM 908 CE LYS A 60 -8.951 -7.063 -13.287 1.00 0.00 C ATOM 909 NZ LYS A 60 -10.058 -7.056 -14.279 1.00 0.00 N ATOM 0 H LYS A 60 -3.964 -7.763 -12.943 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.668 -5.450 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.779 -5.834 -13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.365 -7.380 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.607 -6.207 -11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.046 -4.668 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.293 -5.085 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.169 -5.146 -13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.117 -7.645 -13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.285 -7.560 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.351 -8.034 -14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.865 -6.524 -13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.733 -6.606 -15.158 1.00 0.00 H new ATOM 923 N VAL A 61 -5.111 -6.744 -9.219 1.00 0.00 N ATOM 924 CA VAL A 61 -5.340 -7.484 -7.996 1.00 0.00 C ATOM 925 C VAL A 61 -6.741 -7.212 -7.485 1.00 0.00 C ATOM 926 O VAL A 61 -6.951 -6.330 -6.649 1.00 0.00 O ATOM 927 CB VAL A 61 -4.308 -7.143 -6.900 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.456 -8.084 -5.713 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.895 -7.203 -7.458 1.00 0.00 C ATOM 0 H VAL A 61 -4.839 -5.770 -9.082 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.227 -8.542 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.497 -6.126 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.720 -7.827 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.458 -7.988 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.296 -9.111 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.182 -6.960 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.694 -8.207 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.795 -6.486 -8.272 1.00 0.00 H new ATOM 939 N ASP A 62 -7.705 -7.930 -8.065 1.00 0.00 N ATOM 940 CA ASP A 62 -9.112 -7.885 -7.646 1.00 0.00 C ATOM 941 C ASP A 62 -9.804 -6.580 -8.057 1.00 0.00 C ATOM 942 O ASP A 62 -11.001 -6.573 -8.355 1.00 0.00 O ATOM 943 CB ASP A 62 -9.233 -8.104 -6.133 1.00 0.00 C ATOM 944 CG ASP A 62 -10.670 -8.138 -5.661 1.00 0.00 C ATOM 945 OD1 ASP A 62 -11.145 -7.118 -5.125 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.330 -9.187 -5.822 1.00 0.00 O ATOM 0 H ASP A 62 -7.532 -8.565 -8.845 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.624 -8.696 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.745 -9.041 -5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.702 -7.308 -5.611 1.00 0.00 H new ATOM 952 N GLY A 63 -9.055 -5.486 -8.084 1.00 0.00 N ATOM 953 CA GLY A 63 -9.627 -4.199 -8.430 1.00 0.00 C ATOM 954 C GLY A 63 -8.661 -3.300 -9.175 1.00 0.00 C ATOM 955 O GLY A 63 -8.964 -2.823 -10.268 1.00 0.00 O ATOM 0 H GLY A 63 -8.058 -5.467 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.515 -4.356 -9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.953 -3.696 -7.519 1.00 0.00 H new ATOM 959 N GLU A 64 -7.491 -3.069 -8.595 1.00 0.00 N ATOM 960 CA GLU A 64 -6.530 -2.148 -9.183 1.00 0.00 C ATOM 961 C GLU A 64 -5.345 -2.894 -9.762 1.00 0.00 C ATOM 962 O GLU A 64 -5.129 -4.066 -9.460 1.00 0.00 O ATOM 963 CB GLU A 64 -6.032 -1.136 -8.149 1.00 0.00 C ATOM 964 CG GLU A 64 -7.056 -0.082 -7.768 1.00 0.00 C ATOM 965 CD GLU A 64 -6.440 1.054 -6.980 1.00 0.00 C ATOM 966 OE1 GLU A 64 -5.751 1.901 -7.587 1.00 0.00 O ATOM 967 OE2 GLU A 64 -6.647 1.114 -5.752 1.00 0.00 O ATOM 0 H GLU A 64 -7.186 -3.504 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.043 -1.616 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.727 -1.672 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.144 -0.639 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.520 0.314 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.848 -0.544 -7.178 1.00 0.00 H new ATOM 975 N THR A 65 -4.574 -2.207 -10.583 1.00 0.00 N ATOM 976 CA THR A 65 -3.404 -2.799 -11.191 1.00 0.00 C ATOM 977 C THR A 65 -2.151 -2.415 -10.411 1.00 0.00 C ATOM 978 O THR A 65 -2.006 -1.277 -9.956 1.00 0.00 O ATOM 979 CB THR A 65 -3.261 -2.385 -12.675 1.00 0.00 C ATOM 980 OG1 THR A 65 -2.186 -3.100 -13.292 1.00 0.00 O ATOM 981 CG2 THR A 65 -3.023 -0.889 -12.817 1.00 0.00 C ATOM 0 H THR A 65 -4.740 -1.235 -10.843 1.00 0.00 H new ATOM 0 HA THR A 65 -3.526 -3.882 -11.160 1.00 0.00 H new ATOM 0 HB THR A 65 -4.198 -2.633 -13.174 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.047 -3.950 -12.824 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.927 -0.634 -13.873 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.864 -0.344 -12.387 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.107 -0.615 -12.293 1.00 0.00 H new ATOM 989 N TRP A 66 -1.272 -3.380 -10.229 1.00 0.00 N ATOM 990 CA TRP A 66 -0.025 -3.173 -9.518 1.00 0.00 C ATOM 991 C TRP A 66 1.120 -3.773 -10.317 1.00 0.00 C ATOM 992 O TRP A 66 0.895 -4.554 -11.245 1.00 0.00 O ATOM 993 CB TRP A 66 -0.082 -3.809 -8.121 1.00 0.00 C ATOM 994 CG TRP A 66 -1.048 -3.140 -7.187 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.371 -3.435 -7.025 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.766 -2.064 -6.286 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.928 -2.603 -6.083 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.962 -1.757 -5.614 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.388 -1.329 -5.982 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.040 -0.748 -4.654 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.307 -0.329 -5.029 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.898 -0.046 -4.378 1.00 0.00 C ATOM 0 H TRP A 66 -1.402 -4.332 -10.571 1.00 0.00 H new ATOM 0 HA TRP A 66 0.137 -2.102 -9.398 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.357 -4.859 -8.222 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.914 -3.781 -7.679 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.902 -4.209 -7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.903 -2.615 -5.783 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.322 -1.539 -6.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.968 -0.529 -4.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.190 0.243 -4.784 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.928 0.743 -3.642 1.00 0.00 H new ATOM 1013 N ARG A 67 2.345 -3.409 -9.963 1.00 0.00 N ATOM 1014 CA ARG A 67 3.511 -3.945 -10.641 1.00 0.00 C ATOM 1015 C ARG A 67 3.802 -5.327 -10.099 1.00 0.00 C ATOM 1016 O ARG A 67 3.587 -5.595 -8.921 1.00 0.00 O ATOM 1017 CB ARG A 67 4.746 -3.053 -10.457 1.00 0.00 C ATOM 1018 CG ARG A 67 4.559 -1.610 -10.901 1.00 0.00 C ATOM 1019 CD ARG A 67 3.744 -0.830 -9.887 1.00 0.00 C ATOM 1020 NE ARG A 67 3.654 0.595 -10.202 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.780 1.426 -9.633 1.00 0.00 C ATOM 1022 NH1 ARG A 67 1.961 0.983 -8.682 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.735 2.704 -9.998 1.00 0.00 N ATOM 0 H ARG A 67 2.554 -2.748 -9.214 1.00 0.00 H new ATOM 0 HA ARG A 67 3.292 -3.987 -11.708 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.030 -3.061 -9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.577 -3.486 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.532 -1.137 -11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.060 -1.586 -11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.739 -1.250 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.190 -0.951 -8.900 1.00 0.00 H new ATOM 0 HE ARG A 67 4.297 0.975 -10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.002 0.007 -8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.293 1.619 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.371 3.052 -10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.065 3.336 -9.560 1.00 0.00 H new ATOM 1037 N ALA A 68 4.282 -6.193 -10.953 1.00 0.00 N ATOM 1038 CA ALA A 68 4.538 -7.567 -10.563 1.00 0.00 C ATOM 1039 C ALA A 68 5.848 -8.075 -11.138 1.00 0.00 C ATOM 1040 O ALA A 68 6.197 -7.782 -12.280 1.00 0.00 O ATOM 1041 CB ALA A 68 3.387 -8.459 -10.992 1.00 0.00 C ATOM 0 H ALA A 68 4.506 -5.977 -11.925 1.00 0.00 H new ATOM 0 HA ALA A 68 4.622 -7.596 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.592 -9.487 -10.693 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.467 -8.120 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.274 -8.412 -12.075 1.00 0.00 H new ATOM 1047 N THR A 69 6.558 -8.840 -10.328 1.00 0.00 N ATOM 1048 CA THR A 69 7.820 -9.434 -10.725 1.00 0.00 C ATOM 1049 C THR A 69 7.812 -10.933 -10.448 1.00 0.00 C ATOM 1050 O THR A 69 7.223 -11.384 -9.459 1.00 0.00 O ATOM 1051 CB THR A 69 9.002 -8.774 -9.985 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.647 -8.538 -8.614 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.403 -7.464 -10.648 1.00 0.00 C ATOM 0 H THR A 69 6.274 -9.067 -9.375 1.00 0.00 H new ATOM 0 HA THR A 69 7.945 -9.267 -11.795 1.00 0.00 H new ATOM 0 HB THR A 69 9.854 -9.453 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.401 -8.120 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.238 -7.022 -10.105 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.701 -7.654 -11.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.557 -6.776 -10.636 1.00 0.00 H new ATOM 1061 N SER A 70 8.438 -11.697 -11.327 1.00 0.00 N ATOM 1062 CA SER A 70 8.526 -13.137 -11.168 1.00 0.00 C ATOM 1063 C SER A 70 9.787 -13.660 -11.838 1.00 0.00 C ATOM 1064 O SER A 70 10.459 -12.929 -12.572 1.00 0.00 O ATOM 1065 CB SER A 70 7.290 -13.811 -11.773 1.00 0.00 C ATOM 1066 OG SER A 70 7.104 -13.416 -13.122 1.00 0.00 O ATOM 0 H SER A 70 8.896 -11.339 -12.165 1.00 0.00 H new ATOM 0 HA SER A 70 8.569 -13.372 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.399 -14.894 -11.719 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.407 -13.551 -11.189 1.00 0.00 H new ATOM 0 HG SER A 70 6.673 -14.142 -13.619 1.00 0.00 H new ATOM 1072 N GLY A 71 10.109 -14.919 -11.589 1.00 0.00 N ATOM 1073 CA GLY A 71 11.274 -15.519 -12.206 1.00 0.00 C ATOM 1074 C GLY A 71 10.922 -16.293 -13.458 1.00 0.00 C ATOM 1075 O GLY A 71 11.603 -17.251 -13.815 1.00 0.00 O ATOM 0 H GLY A 71 9.585 -15.537 -10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.994 -14.739 -12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.758 -16.186 -11.493 1.00 0.00 H new ATOM 1079 N THR A 72 9.844 -15.894 -14.119 1.00 0.00 N ATOM 1080 CA THR A 72 9.413 -16.537 -15.354 1.00 0.00 C ATOM 1081 C THR A 72 8.759 -15.502 -16.276 1.00 0.00 C ATOM 1082 O THR A 72 8.536 -14.359 -15.874 1.00 0.00 O ATOM 1083 CB THR A 72 8.407 -17.676 -15.061 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.734 -18.320 -13.819 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.409 -18.720 -16.171 1.00 0.00 C ATOM 0 H THR A 72 9.248 -15.123 -13.818 1.00 0.00 H new ATOM 0 HA THR A 72 10.289 -16.964 -15.842 1.00 0.00 H new ATOM 0 HB THR A 72 7.415 -17.228 -15.001 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.090 -19.038 -13.643 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.691 -19.505 -15.933 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.132 -18.249 -17.114 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.405 -19.154 -16.261 1.00 0.00 H new ATOM 1093 N VAL A 73 8.468 -15.891 -17.508 1.00 0.00 N ATOM 1094 CA VAL A 73 7.750 -15.021 -18.425 1.00 0.00 C ATOM 1095 C VAL A 73 6.258 -15.338 -18.361 1.00 0.00 C ATOM 1096 O VAL A 73 5.854 -16.504 -18.388 1.00 0.00 O ATOM 1097 CB VAL A 73 8.275 -15.146 -19.878 1.00 0.00 C ATOM 1098 CG1 VAL A 73 8.112 -16.562 -20.406 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.590 -14.142 -20.793 1.00 0.00 C ATOM 0 H VAL A 73 8.718 -16.801 -17.895 1.00 0.00 H new ATOM 0 HA VAL A 73 7.918 -13.989 -18.117 1.00 0.00 H new ATOM 0 HB VAL A 73 9.341 -14.919 -19.864 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.490 -16.615 -21.427 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.672 -17.252 -19.775 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.057 -16.835 -20.395 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.976 -14.251 -21.806 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.515 -14.324 -20.793 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.787 -13.131 -20.436 1.00 0.00 H new ATOM 1109 N LEU A 74 5.449 -14.300 -18.235 1.00 0.00 N ATOM 1110 CA LEU A 74 4.014 -14.469 -18.069 1.00 0.00 C ATOM 1111 C LEU A 74 3.248 -13.751 -19.177 1.00 0.00 C ATOM 1112 O LEU A 74 3.659 -12.683 -19.638 1.00 0.00 O ATOM 1113 CB LEU A 74 3.585 -13.947 -16.692 1.00 0.00 C ATOM 1114 CG LEU A 74 4.338 -14.558 -15.507 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.866 -13.944 -14.198 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.156 -16.068 -15.481 1.00 0.00 C ATOM 0 H LEU A 74 5.761 -13.329 -18.244 1.00 0.00 H new ATOM 0 HA LEU A 74 3.779 -15.531 -18.135 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.721 -12.866 -16.671 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.519 -14.137 -16.563 1.00 0.00 H new ATOM 0 HG LEU A 74 5.399 -14.339 -15.627 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.413 -14.391 -13.368 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.047 -12.869 -14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.800 -14.131 -14.072 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.698 -16.485 -14.632 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.096 -16.305 -15.387 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.543 -16.497 -16.405 1.00 0.00 H new ATOM 1128 N ASP A 75 2.143 -14.349 -19.609 1.00 0.00 N ATOM 1129 CA ASP A 75 1.360 -13.809 -20.711 1.00 0.00 C ATOM 1130 C ASP A 75 0.134 -13.072 -20.206 1.00 0.00 C ATOM 1131 O ASP A 75 -0.292 -13.255 -19.066 1.00 0.00 O ATOM 1132 CB ASP A 75 0.932 -14.928 -21.660 1.00 0.00 C ATOM 1133 CG ASP A 75 2.115 -15.616 -22.303 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.767 -14.997 -23.165 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.404 -16.775 -21.945 1.00 0.00 O ATOM 0 H ASP A 75 1.770 -15.210 -19.210 1.00 0.00 H new ATOM 0 HA ASP A 75 1.991 -13.101 -21.249 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.342 -15.662 -21.111 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.287 -14.517 -22.437 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.428 -12.238 -21.064 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.615 -11.468 -20.725 1.00 0.00 C ATOM 1143 C VAL A 76 -2.839 -12.374 -20.633 1.00 0.00 C ATOM 1144 O VAL A 76 -3.118 -13.157 -21.543 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.874 -10.355 -21.764 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.125 -9.559 -21.418 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.668 -9.433 -21.866 1.00 0.00 C ATOM 0 H VAL A 76 -0.079 -12.075 -22.008 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.438 -11.006 -19.754 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.035 -10.829 -22.732 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.281 -8.783 -22.167 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.987 -10.226 -21.401 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.003 -9.098 -20.438 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.867 -8.654 -22.602 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.477 -8.975 -20.896 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.205 -10.009 -22.173 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.561 -12.266 -19.529 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.728 -13.093 -19.321 1.00 0.00 C ATOM 1159 C GLY A 77 -4.454 -14.242 -18.376 1.00 0.00 C ATOM 1160 O GLY A 77 -5.367 -14.990 -18.020 1.00 0.00 O ATOM 0 H GLY A 77 -3.357 -11.616 -18.770 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.538 -12.482 -18.922 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.068 -13.486 -20.279 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.195 -14.391 -17.975 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.815 -15.398 -17.011 1.00 0.00 C ATOM 1166 C GLU A 78 -3.212 -14.987 -15.604 1.00 0.00 C ATOM 1167 O GLU A 78 -3.624 -13.849 -15.365 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.316 -15.627 -17.074 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.883 -16.449 -18.265 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.549 -17.808 -18.301 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -1.472 -18.540 -17.294 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -2.140 -18.158 -19.338 1.00 0.00 O ATOM 0 H GLU A 78 -2.421 -13.818 -18.311 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.339 -16.322 -17.257 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.810 -14.662 -17.105 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.994 -16.127 -16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.118 -15.908 -19.181 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.199 -16.578 -18.240 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.061 -15.917 -14.680 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.409 -15.675 -13.291 1.00 0.00 C ATOM 1182 C GLU A 79 -2.204 -15.957 -12.406 1.00 0.00 C ATOM 1183 O GLU A 79 -1.537 -16.984 -12.561 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.589 -16.558 -12.872 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.749 -16.522 -13.856 1.00 0.00 C ATOM 1186 CD GLU A 79 -7.014 -17.135 -13.295 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -8.098 -16.569 -13.534 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -6.934 -18.166 -12.596 1.00 0.00 O ATOM 0 H GLU A 79 -2.698 -16.852 -14.867 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.703 -14.632 -13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.244 -17.586 -12.766 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.943 -16.238 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.947 -15.488 -14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.465 -17.053 -14.764 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.907 -15.045 -11.495 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.752 -15.204 -10.625 1.00 0.00 C ATOM 1198 C VAL A 80 -1.146 -15.150 -9.156 1.00 0.00 C ATOM 1199 O VAL A 80 -2.164 -14.566 -8.798 1.00 0.00 O ATOM 1200 CB VAL A 80 0.324 -14.135 -10.902 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.892 -14.305 -12.298 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.231 -12.729 -10.716 1.00 0.00 C ATOM 0 H VAL A 80 -2.445 -14.193 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.336 -16.187 -10.845 1.00 0.00 H new ATOM 0 HB VAL A 80 1.128 -14.273 -10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.650 -13.543 -12.478 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.342 -15.293 -12.390 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.092 -14.201 -13.031 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.552 -11.999 -10.919 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.061 -12.571 -11.405 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.582 -12.609 -9.691 1.00 0.00 H new ATOM 1212 N SER A 81 -0.348 -15.796 -8.323 1.00 0.00 N ATOM 1213 CA SER A 81 -0.523 -15.726 -6.880 1.00 0.00 C ATOM 1214 C SER A 81 0.474 -14.740 -6.292 1.00 0.00 C ATOM 1215 O SER A 81 1.675 -14.844 -6.545 1.00 0.00 O ATOM 1216 CB SER A 81 -0.325 -17.105 -6.248 1.00 0.00 C ATOM 1217 OG SER A 81 -1.237 -18.045 -6.784 1.00 0.00 O ATOM 0 H SER A 81 0.433 -16.379 -8.623 1.00 0.00 H new ATOM 0 HA SER A 81 -1.537 -15.389 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.696 -17.445 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.460 -17.037 -5.169 1.00 0.00 H new ATOM 0 HG SER A 81 -1.090 -18.919 -6.366 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.024 -13.782 -5.524 1.00 0.00 N ATOM 1224 CA VAL A 82 0.835 -12.790 -4.895 1.00 0.00 C ATOM 1225 C VAL A 82 1.497 -13.378 -3.655 1.00 0.00 C ATOM 1226 O VAL A 82 0.828 -13.689 -2.669 1.00 0.00 O ATOM 1227 CB VAL A 82 0.049 -11.516 -4.513 1.00 0.00 C ATOM 1228 CG1 VAL A 82 0.989 -10.429 -4.008 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.771 -11.011 -5.692 1.00 0.00 C ATOM 0 H VAL A 82 -1.018 -13.671 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 82 1.600 -12.510 -5.619 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.637 -11.774 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.412 -9.542 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.522 -10.789 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.707 -10.177 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.316 -10.113 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.106 -10.777 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.479 -11.781 -5.999 1.00 0.00 H new ATOM 1239 N LYS A 83 2.811 -13.541 -3.724 1.00 0.00 N ATOM 1240 CA LYS A 83 3.571 -14.159 -2.654 1.00 0.00 C ATOM 1241 C LYS A 83 4.182 -13.128 -1.714 1.00 0.00 C ATOM 1242 O LYS A 83 4.150 -13.296 -0.496 1.00 0.00 O ATOM 1243 CB LYS A 83 4.677 -15.032 -3.250 1.00 0.00 C ATOM 1244 CG LYS A 83 4.274 -16.472 -3.466 1.00 0.00 C ATOM 1245 CD LYS A 83 4.020 -17.131 -2.138 1.00 0.00 C ATOM 1246 CE LYS A 83 3.658 -18.603 -2.278 1.00 0.00 C ATOM 1247 NZ LYS A 83 4.760 -19.390 -2.889 1.00 0.00 N ATOM 0 H LYS A 83 3.376 -13.249 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 83 2.883 -14.769 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.988 -14.606 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.544 -15.003 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.378 -16.520 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.060 -17.003 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.908 -17.036 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.212 -16.609 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.420 -19.013 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.761 -18.699 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.579 -20.405 -2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.813 -19.181 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.661 -19.136 -2.436 1.00 0.00 H new ATOM 1261 N ALA A 84 4.750 -12.069 -2.272 1.00 0.00 N ATOM 1262 CA ALA A 84 5.454 -11.080 -1.467 1.00 0.00 C ATOM 1263 C ALA A 84 5.372 -9.691 -2.090 1.00 0.00 C ATOM 1264 O ALA A 84 4.764 -9.509 -3.145 1.00 0.00 O ATOM 1265 CB ALA A 84 6.910 -11.494 -1.286 1.00 0.00 C ATOM 0 H ALA A 84 4.738 -11.872 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 84 4.970 -11.034 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.428 -10.748 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.954 -12.461 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.391 -11.569 -2.261 1.00 0.00 H new ATOM 1271 N ILE A 85 5.988 -8.719 -1.431 1.00 0.00 N ATOM 1272 CA ILE A 85 6.001 -7.342 -1.909 1.00 0.00 C ATOM 1273 C ILE A 85 7.440 -6.860 -2.070 1.00 0.00 C ATOM 1274 O ILE A 85 8.275 -7.087 -1.195 1.00 0.00 O ATOM 1275 CB ILE A 85 5.255 -6.398 -0.935 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.836 -6.912 -0.668 1.00 0.00 C ATOM 1277 CG2 ILE A 85 5.207 -4.979 -1.492 1.00 0.00 C ATOM 1278 CD1 ILE A 85 3.041 -6.053 0.296 1.00 0.00 C ATOM 0 H ILE A 85 6.490 -8.861 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 85 5.490 -7.321 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 85 5.802 -6.381 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.298 -6.972 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.896 -7.925 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.679 -4.331 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.223 -4.609 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.686 -4.981 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.049 -6.483 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.555 -6.013 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.947 -5.045 -0.107 1.00 0.00 H new ATOM 1290 N GLU A 86 7.724 -6.204 -3.181 1.00 0.00 N ATOM 1291 CA GLU A 86 9.054 -5.691 -3.453 1.00 0.00 C ATOM 1292 C GLU A 86 8.963 -4.198 -3.750 1.00 0.00 C ATOM 1293 O GLU A 86 8.877 -3.787 -4.910 1.00 0.00 O ATOM 1294 CB GLU A 86 9.674 -6.437 -4.642 1.00 0.00 C ATOM 1295 CG GLU A 86 11.183 -6.628 -4.551 1.00 0.00 C ATOM 1296 CD GLU A 86 11.960 -5.327 -4.521 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.199 -4.745 -5.600 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.353 -4.889 -3.417 1.00 0.00 O ATOM 0 H GLU A 86 7.043 -6.013 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 86 9.691 -5.846 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.201 -7.415 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.444 -5.891 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.415 -7.200 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.517 -7.221 -5.402 1.00 0.00 H new ATOM 1306 N GLY A 87 8.946 -3.394 -2.696 1.00 0.00 N ATOM 1307 CA GLY A 87 8.764 -1.966 -2.856 1.00 0.00 C ATOM 1308 C GLY A 87 7.354 -1.625 -3.287 1.00 0.00 C ATOM 1309 O GLY A 87 6.406 -1.780 -2.518 1.00 0.00 O ATOM 0 H GLY A 87 9.055 -3.706 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.988 -1.463 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.471 -1.590 -3.595 1.00 0.00 H new ATOM 1313 N VAL A 88 7.221 -1.167 -4.518 1.00 0.00 N ATOM 1314 CA VAL A 88 5.915 -0.860 -5.086 1.00 0.00 C ATOM 1315 C VAL A 88 5.482 -1.986 -6.029 1.00 0.00 C ATOM 1316 O VAL A 88 4.401 -1.958 -6.625 1.00 0.00 O ATOM 1317 CB VAL A 88 5.937 0.500 -5.831 1.00 0.00 C ATOM 1318 CG1 VAL A 88 6.738 0.409 -7.123 1.00 0.00 C ATOM 1319 CG2 VAL A 88 4.522 1.008 -6.095 1.00 0.00 C ATOM 0 H VAL A 88 8.004 -0.998 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 88 5.193 -0.780 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 88 6.434 1.223 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.735 1.378 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.764 0.122 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.289 -0.338 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.570 1.963 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.984 0.285 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.000 1.140 -5.147 1.00 0.00 H new ATOM 1329 N LYS A 89 6.340 -2.987 -6.146 1.00 0.00 N ATOM 1330 CA LYS A 89 6.064 -4.149 -6.974 1.00 0.00 C ATOM 1331 C LYS A 89 5.615 -5.308 -6.099 1.00 0.00 C ATOM 1332 O LYS A 89 5.855 -5.314 -4.892 1.00 0.00 O ATOM 1333 CB LYS A 89 7.317 -4.576 -7.737 1.00 0.00 C ATOM 1334 CG LYS A 89 7.942 -3.482 -8.588 1.00 0.00 C ATOM 1335 CD LYS A 89 9.327 -3.891 -9.064 1.00 0.00 C ATOM 1336 CE LYS A 89 10.276 -4.083 -7.891 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.623 -4.553 -8.314 1.00 0.00 N ATOM 0 H LYS A 89 7.243 -3.017 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 89 5.280 -3.883 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.059 -4.931 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.065 -5.419 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.304 -3.275 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.009 -2.560 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.259 -4.816 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.724 -3.129 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.377 -3.141 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.846 -4.803 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.191 -4.781 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.524 -5.403 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.096 -3.805 -8.859 1.00 0.00 H new ATOM 1351 N LEU A 90 4.977 -6.290 -6.706 1.00 0.00 N ATOM 1352 CA LEU A 90 4.605 -7.503 -6.001 1.00 0.00 C ATOM 1353 C LEU A 90 5.400 -8.682 -6.541 1.00 0.00 C ATOM 1354 O LEU A 90 5.735 -8.731 -7.725 1.00 0.00 O ATOM 1355 CB LEU A 90 3.108 -7.782 -6.147 1.00 0.00 C ATOM 1356 CG LEU A 90 2.178 -6.662 -5.678 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.728 -7.038 -5.927 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.402 -6.360 -4.204 1.00 0.00 C ATOM 0 H LEU A 90 4.704 -6.272 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 90 4.831 -7.365 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.896 -7.990 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.869 -8.686 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 90 2.407 -5.764 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.079 -6.230 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.573 -7.204 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.489 -7.950 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.731 -5.561 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.201 -7.255 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.435 -6.048 -4.049 1.00 0.00 H new ATOM 1370 N VAL A 91 5.704 -9.625 -5.671 1.00 0.00 N ATOM 1371 CA VAL A 91 6.386 -10.843 -6.068 1.00 0.00 C ATOM 1372 C VAL A 91 5.350 -11.935 -6.261 1.00 0.00 C ATOM 1373 O VAL A 91 4.704 -12.360 -5.302 1.00 0.00 O ATOM 1374 CB VAL A 91 7.429 -11.295 -5.021 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.154 -12.553 -5.486 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.425 -10.174 -4.739 1.00 0.00 C ATOM 0 H VAL A 91 5.488 -9.571 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 91 6.924 -10.648 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 91 6.903 -11.529 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.883 -12.852 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.432 -13.356 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.666 -12.351 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.152 -10.510 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.942 -9.906 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.894 -9.303 -4.355 1.00 0.00 H new ATOM 1386 N VAL A 92 5.172 -12.371 -7.496 1.00 0.00 N ATOM 1387 CA VAL A 92 4.094 -13.290 -7.822 1.00 0.00 C ATOM 1388 C VAL A 92 4.614 -14.561 -8.477 1.00 0.00 C ATOM 1389 O VAL A 92 5.752 -14.616 -8.946 1.00 0.00 O ATOM 1390 CB VAL A 92 3.054 -12.632 -8.762 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.390 -11.438 -8.092 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.704 -12.216 -10.075 1.00 0.00 C ATOM 0 H VAL A 92 5.758 -12.105 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 92 3.616 -13.548 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 92 2.282 -13.370 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.664 -10.995 -8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.882 -11.766 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.147 -10.697 -7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.957 -11.756 -10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.501 -11.500 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.120 -13.094 -10.569 1.00 0.00 H new ATOM 1402 N GLU A 93 3.767 -15.576 -8.490 1.00 0.00 N ATOM 1403 CA GLU A 93 4.052 -16.811 -9.202 1.00 0.00 C ATOM 1404 C GLU A 93 2.853 -17.198 -10.044 1.00 0.00 C ATOM 1405 O GLU A 93 1.736 -16.759 -9.783 1.00 0.00 O ATOM 1406 CB GLU A 93 4.419 -17.943 -8.243 1.00 0.00 C ATOM 1407 CG GLU A 93 3.490 -18.075 -7.050 1.00 0.00 C ATOM 1408 CD GLU A 93 3.869 -19.234 -6.154 1.00 0.00 C ATOM 1409 OE1 GLU A 93 4.908 -19.147 -5.470 1.00 0.00 O ATOM 1410 OE2 GLU A 93 3.128 -20.240 -6.129 1.00 0.00 O ATOM 0 H GLU A 93 2.867 -15.568 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 93 4.913 -16.642 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.421 -18.884 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.435 -17.783 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.510 -17.151 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.467 -18.210 -7.402 1.00 0.00 H new ATOM 1418 N LYS A 94 3.087 -18.020 -11.044 1.00 0.00 N ATOM 1419 CA LYS A 94 2.058 -18.332 -12.025 1.00 0.00 C ATOM 1420 C LYS A 94 1.180 -19.491 -11.576 1.00 0.00 C ATOM 1421 O LYS A 94 1.670 -20.492 -11.052 1.00 0.00 O ATOM 1422 CB LYS A 94 2.707 -18.678 -13.365 1.00 0.00 C ATOM 1423 CG LYS A 94 1.720 -18.879 -14.502 1.00 0.00 C ATOM 1424 CD LYS A 94 2.421 -19.334 -15.775 1.00 0.00 C ATOM 1425 CE LYS A 94 1.439 -19.523 -16.919 1.00 0.00 C ATOM 1426 NZ LYS A 94 0.449 -20.596 -16.632 1.00 0.00 N ATOM 0 H LYS A 94 3.980 -18.487 -11.203 1.00 0.00 H new ATOM 0 HA LYS A 94 1.426 -17.450 -12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.400 -17.881 -13.637 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.297 -19.587 -13.246 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.974 -19.619 -14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.187 -17.947 -14.692 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.174 -18.599 -16.059 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.946 -20.271 -15.587 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.914 -18.586 -17.105 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.986 -19.768 -17.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.562 -21.366 -17.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.606 -20.965 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.513 -20.208 -16.700 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.120 -19.341 -11.782 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.036 -20.454 -11.641 1.00 0.00 C ATOM 1442 C LEU A 95 -0.848 -21.393 -12.817 1.00 0.00 C ATOM 1443 O LEU A 95 -0.665 -20.949 -13.956 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.488 -19.983 -11.593 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.029 -19.623 -10.208 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -2.347 -18.387 -9.665 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.533 -19.419 -10.265 1.00 0.00 C ATOM 0 H LEU A 95 -0.560 -18.460 -12.047 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.819 -20.964 -10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.588 -19.111 -12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.118 -20.766 -12.015 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.814 -20.451 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.750 -18.153 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.275 -18.568 -9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.524 -17.548 -10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.903 -19.163 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.764 -18.610 -10.958 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.012 -20.337 -10.606 1.00 0.00 H new