USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot 103:sc= 0.613 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.0198 USER MOD Set 2.1: A 69 THR OG1 : rot 106:sc= -1.25 USER MOD Set 2.2: A 89 LYS NZ :NH3+ 159:sc= 1.42 (180deg=0.00572) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.789) USER MOD Single : A 48 MET CE :methyl 134:sc= -1.04 (180deg=-3.83!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -80:sc= -0.937 USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= 1.13 (180deg=0.393) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -2.952 -8.713 0.588 1.00 0.00 N ATOM 601 CA LEU A 40 -2.917 -8.981 -0.836 1.00 0.00 C ATOM 602 C LEU A 40 -2.131 -10.266 -1.080 1.00 0.00 C ATOM 603 O LEU A 40 -2.204 -10.869 -2.154 1.00 0.00 O ATOM 604 CB LEU A 40 -2.266 -7.814 -1.578 1.00 0.00 C ATOM 605 CG LEU A 40 -2.942 -6.452 -1.375 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.194 -5.359 -2.123 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.394 -6.500 -1.830 1.00 0.00 C ATOM 0 HA LEU A 40 -3.934 -9.099 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.226 -7.737 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.257 -8.042 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.917 -6.220 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.692 -4.403 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.170 -5.301 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.183 -5.589 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.855 -5.524 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.435 -6.760 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.932 -7.250 -1.251 1.00 0.00 H new ATOM 619 N ILE A 41 -1.388 -10.683 -0.062 1.00 0.00 N ATOM 620 CA ILE A 41 -0.599 -11.903 -0.133 1.00 0.00 C ATOM 621 C ILE A 41 -1.499 -13.116 0.012 1.00 0.00 C ATOM 622 O ILE A 41 -2.253 -13.240 0.981 1.00 0.00 O ATOM 623 CB ILE A 41 0.491 -11.938 0.956 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.378 -10.694 0.862 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.337 -13.207 0.846 1.00 0.00 C ATOM 626 CD1 ILE A 41 2.028 -10.508 -0.488 1.00 0.00 C ATOM 0 H ILE A 41 -1.317 -10.189 0.828 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.109 -11.922 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.002 -11.944 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.778 -9.813 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.155 -10.755 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.098 -13.206 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.698 -14.082 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.819 -13.239 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.640 -9.606 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.657 -11.370 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.257 -10.413 -1.253 1.00 0.00 H new ATOM 638 N GLY A 42 -1.423 -14.006 -0.962 1.00 0.00 N ATOM 639 CA GLY A 42 -2.266 -15.179 -0.957 1.00 0.00 C ATOM 640 C GLY A 42 -3.492 -14.997 -1.823 1.00 0.00 C ATOM 641 O GLY A 42 -4.329 -15.891 -1.926 1.00 0.00 O ATOM 0 H GLY A 42 -0.790 -13.936 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.695 -16.037 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.573 -15.401 0.065 1.00 0.00 H new ATOM 645 N ARG A 43 -3.606 -13.830 -2.437 1.00 0.00 N ATOM 646 CA ARG A 43 -4.709 -13.551 -3.341 1.00 0.00 C ATOM 647 C ARG A 43 -4.302 -13.868 -4.772 1.00 0.00 C ATOM 648 O ARG A 43 -3.114 -13.832 -5.112 1.00 0.00 O ATOM 649 CB ARG A 43 -5.138 -12.084 -3.251 1.00 0.00 C ATOM 650 CG ARG A 43 -5.544 -11.639 -1.854 1.00 0.00 C ATOM 651 CD ARG A 43 -6.840 -12.298 -1.406 1.00 0.00 C ATOM 652 NE ARG A 43 -7.225 -11.875 -0.060 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.430 -11.403 0.259 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.361 -11.242 -0.678 1.00 0.00 N ATOM 655 NH2 ARG A 43 -8.698 -11.071 1.518 1.00 0.00 N ATOM 0 H ARG A 43 -2.947 -13.060 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.550 -14.179 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.318 -11.455 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.974 -11.919 -3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.749 -11.884 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.662 -10.556 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.636 -12.049 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.724 -13.382 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.528 -11.946 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.155 -11.480 -1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.281 -10.880 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.982 -11.178 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.619 -10.710 1.765 1.00 0.00 H new ATOM 669 N LYS A 44 -5.284 -14.184 -5.595 1.00 0.00 N ATOM 670 CA LYS A 44 -5.050 -14.453 -6.996 1.00 0.00 C ATOM 671 C LYS A 44 -5.082 -13.151 -7.783 1.00 0.00 C ATOM 672 O LYS A 44 -5.866 -12.249 -7.483 1.00 0.00 O ATOM 673 CB LYS A 44 -6.111 -15.436 -7.509 1.00 0.00 C ATOM 674 CG LYS A 44 -5.907 -15.905 -8.940 1.00 0.00 C ATOM 675 CD LYS A 44 -6.588 -14.996 -9.953 1.00 0.00 C ATOM 676 CE LYS A 44 -8.105 -15.101 -9.874 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.587 -16.465 -10.226 1.00 0.00 N ATOM 0 H LYS A 44 -6.261 -14.260 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.067 -14.904 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.125 -16.308 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.091 -14.964 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.840 -15.949 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.296 -16.918 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.285 -13.964 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.257 -15.259 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.434 -14.849 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.555 -14.372 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.572 -16.411 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.991 -16.860 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.536 -17.078 -9.388 1.00 0.00 H new ATOM 691 N GLY A 45 -4.226 -13.062 -8.783 1.00 0.00 N ATOM 692 CA GLY A 45 -4.190 -11.903 -9.632 1.00 0.00 C ATOM 693 C GLY A 45 -4.162 -12.291 -11.092 1.00 0.00 C ATOM 694 O GLY A 45 -3.869 -13.437 -11.431 1.00 0.00 O ATOM 0 H GLY A 45 -3.547 -13.785 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.062 -11.279 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.310 -11.304 -9.396 1.00 0.00 H new ATOM 698 N VAL A 46 -4.472 -11.345 -11.949 1.00 0.00 N ATOM 699 CA VAL A 46 -4.500 -11.586 -13.382 1.00 0.00 C ATOM 700 C VAL A 46 -3.460 -10.720 -14.084 1.00 0.00 C ATOM 701 O VAL A 46 -3.228 -9.570 -13.700 1.00 0.00 O ATOM 702 CB VAL A 46 -5.909 -11.303 -13.961 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.279 -9.833 -13.820 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.011 -11.758 -15.409 1.00 0.00 C ATOM 0 H VAL A 46 -4.711 -10.391 -11.679 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.262 -12.635 -13.556 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.626 -11.882 -13.380 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.273 -9.667 -14.235 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.275 -9.556 -12.766 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.554 -9.222 -14.358 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.011 -11.546 -15.787 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.275 -11.225 -16.011 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.820 -12.830 -15.468 1.00 0.00 H new ATOM 714 N VAL A 47 -2.836 -11.271 -15.107 1.00 0.00 N ATOM 715 CA VAL A 47 -1.786 -10.567 -15.824 1.00 0.00 C ATOM 716 C VAL A 47 -2.374 -9.701 -16.934 1.00 0.00 C ATOM 717 O VAL A 47 -2.899 -10.214 -17.921 1.00 0.00 O ATOM 718 CB VAL A 47 -0.762 -11.552 -16.424 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.361 -10.804 -17.123 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.203 -12.466 -15.345 1.00 0.00 C ATOM 0 H VAL A 47 -3.037 -12.206 -15.462 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.274 -9.927 -15.106 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.275 -12.166 -17.164 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.071 -11.519 -17.538 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.053 -10.195 -17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.871 -10.161 -16.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.518 -13.154 -15.788 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.290 -11.866 -14.580 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.016 -13.034 -14.892 1.00 0.00 H new ATOM 730 N MET A 48 -2.299 -8.389 -16.748 1.00 0.00 N ATOM 731 CA MET A 48 -2.794 -7.434 -17.732 1.00 0.00 C ATOM 732 C MET A 48 -1.664 -7.011 -18.663 1.00 0.00 C ATOM 733 O MET A 48 -1.889 -6.699 -19.834 1.00 0.00 O ATOM 734 CB MET A 48 -3.395 -6.207 -17.037 1.00 0.00 C ATOM 735 CG MET A 48 -4.595 -6.503 -16.144 1.00 0.00 C ATOM 736 SD MET A 48 -6.120 -6.842 -17.051 1.00 0.00 S ATOM 737 CE MET A 48 -5.912 -8.560 -17.521 1.00 0.00 C ATOM 0 H MET A 48 -1.896 -7.959 -15.916 1.00 0.00 H new ATOM 0 HA MET A 48 -3.576 -7.914 -18.320 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.620 -5.732 -16.435 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.695 -5.486 -17.798 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.362 -7.360 -15.512 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.760 -5.654 -15.481 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.831 -9.108 -17.314 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.685 -8.621 -18.585 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.093 -8.997 -16.950 1.00 0.00 H new ATOM 747 N GLU A 49 -0.451 -7.010 -18.132 1.00 0.00 N ATOM 748 CA GLU A 49 0.735 -6.721 -18.920 1.00 0.00 C ATOM 749 C GLU A 49 1.785 -7.785 -18.648 1.00 0.00 C ATOM 750 O GLU A 49 1.968 -8.192 -17.500 1.00 0.00 O ATOM 751 CB GLU A 49 1.285 -5.330 -18.588 1.00 0.00 C ATOM 752 CG GLU A 49 2.560 -4.977 -19.340 1.00 0.00 C ATOM 753 CD GLU A 49 2.395 -5.009 -20.849 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.273 -6.114 -21.419 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.416 -3.931 -21.477 1.00 0.00 O ATOM 0 H GLU A 49 -0.262 -7.208 -17.149 1.00 0.00 H new ATOM 0 HA GLU A 49 0.471 -6.731 -19.978 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.523 -4.585 -18.815 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.478 -5.272 -17.517 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.888 -3.982 -19.038 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.348 -5.673 -19.053 1.00 0.00 H new ATOM 763 N ALA A 50 2.458 -8.224 -19.705 1.00 0.00 N ATOM 764 CA ALA A 50 3.407 -9.328 -19.628 1.00 0.00 C ATOM 765 C ALA A 50 4.513 -9.056 -18.616 1.00 0.00 C ATOM 766 O ALA A 50 5.092 -7.970 -18.580 1.00 0.00 O ATOM 767 CB ALA A 50 4.008 -9.602 -20.994 1.00 0.00 C ATOM 0 H ALA A 50 2.361 -7.825 -20.639 1.00 0.00 H new ATOM 0 HA ALA A 50 2.858 -10.208 -19.292 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.715 -10.429 -20.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.215 -9.863 -21.695 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.527 -8.711 -21.349 1.00 0.00 H new ATOM 773 N ILE A 51 4.800 -10.055 -17.803 1.00 0.00 N ATOM 774 CA ILE A 51 5.821 -9.946 -16.778 1.00 0.00 C ATOM 775 C ILE A 51 7.097 -10.627 -17.247 1.00 0.00 C ATOM 776 O ILE A 51 7.106 -11.835 -17.473 1.00 0.00 O ATOM 777 CB ILE A 51 5.354 -10.605 -15.465 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.032 -9.991 -15.002 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.418 -10.455 -14.385 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.367 -10.747 -13.869 1.00 0.00 C ATOM 0 H ILE A 51 4.334 -10.962 -17.834 1.00 0.00 H new ATOM 0 HA ILE A 51 6.007 -8.888 -16.596 1.00 0.00 H new ATOM 0 HB ILE A 51 5.197 -11.668 -15.648 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.211 -8.964 -14.684 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.347 -9.948 -15.848 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.072 -10.926 -13.465 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.340 -10.935 -14.713 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.605 -9.397 -14.203 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.436 -10.250 -13.597 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.154 -11.767 -14.188 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.032 -10.768 -13.006 1.00 0.00 H new ATOM 792 N SER A 52 8.161 -9.853 -17.417 1.00 0.00 N ATOM 793 CA SER A 52 9.431 -10.404 -17.855 1.00 0.00 C ATOM 794 C SER A 52 10.533 -10.009 -16.875 1.00 0.00 C ATOM 795 O SER A 52 10.332 -9.143 -16.023 1.00 0.00 O ATOM 796 CB SER A 52 9.759 -9.908 -19.264 1.00 0.00 C ATOM 797 OG SER A 52 8.571 -9.588 -19.969 1.00 0.00 O ATOM 0 H SER A 52 8.167 -8.845 -17.258 1.00 0.00 H new ATOM 0 HA SER A 52 9.361 -11.491 -17.880 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.402 -9.030 -19.206 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.314 -10.674 -19.805 1.00 0.00 H new ATOM 0 HG SER A 52 8.799 -9.271 -20.868 1.00 0.00 H new ATOM 803 N PRO A 53 11.704 -10.653 -16.972 1.00 0.00 N ATOM 804 CA PRO A 53 12.828 -10.399 -16.067 1.00 0.00 C ATOM 805 C PRO A 53 13.369 -8.979 -16.204 1.00 0.00 C ATOM 806 O PRO A 53 13.800 -8.370 -15.225 1.00 0.00 O ATOM 807 CB PRO A 53 13.895 -11.412 -16.500 1.00 0.00 C ATOM 808 CG PRO A 53 13.191 -12.395 -17.372 1.00 0.00 C ATOM 809 CD PRO A 53 12.033 -11.663 -17.983 1.00 0.00 C ATOM 0 HA PRO A 53 12.529 -10.501 -15.024 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.705 -10.921 -17.039 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.340 -11.905 -15.636 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.859 -12.779 -18.143 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.847 -13.252 -16.793 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.302 -11.206 -18.935 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.192 -12.329 -18.175 1.00 0.00 H new ATOM 817 N GLN A 54 13.332 -8.454 -17.423 1.00 0.00 N ATOM 818 CA GLN A 54 13.861 -7.125 -17.694 1.00 0.00 C ATOM 819 C GLN A 54 12.825 -6.039 -17.407 1.00 0.00 C ATOM 820 O GLN A 54 13.149 -5.022 -16.792 1.00 0.00 O ATOM 821 CB GLN A 54 14.342 -7.027 -19.144 1.00 0.00 C ATOM 822 CG GLN A 54 14.901 -5.660 -19.519 1.00 0.00 C ATOM 823 CD GLN A 54 15.457 -5.620 -20.927 1.00 0.00 C ATOM 824 OE1 GLN A 54 15.965 -6.617 -21.443 1.00 0.00 O ATOM 825 NE2 GLN A 54 15.362 -4.464 -21.564 1.00 0.00 N ATOM 0 H GLN A 54 12.942 -8.928 -18.237 1.00 0.00 H new ATOM 0 HA GLN A 54 14.708 -6.964 -17.027 1.00 0.00 H new ATOM 0 HB2 GLN A 54 15.110 -7.781 -19.313 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.511 -7.263 -19.809 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.114 -4.912 -19.422 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.687 -5.388 -18.815 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.935 -3.661 -21.103 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.716 -4.376 -22.516 1.00 0.00 H new ATOM 834 N ASN A 55 11.585 -6.250 -17.837 1.00 0.00 N ATOM 835 CA ASN A 55 10.552 -5.235 -17.680 1.00 0.00 C ATOM 836 C ASN A 55 9.368 -5.792 -16.906 1.00 0.00 C ATOM 837 O ASN A 55 8.810 -6.834 -17.268 1.00 0.00 O ATOM 838 CB ASN A 55 10.105 -4.713 -19.049 1.00 0.00 C ATOM 839 CG ASN A 55 9.132 -3.550 -18.948 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.542 -2.397 -18.812 1.00 0.00 O ATOM 841 ND2 ASN A 55 7.840 -3.837 -19.034 1.00 0.00 N ATOM 0 H ASN A 55 11.274 -7.108 -18.293 1.00 0.00 H new ATOM 0 HA ASN A 55 10.969 -4.403 -17.113 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.981 -4.399 -19.617 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.637 -5.524 -19.607 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.147 -3.090 -18.988 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.539 -4.805 -19.146 1.00 0.00 H new ATOM 848 N SER A 56 8.992 -5.097 -15.841 1.00 0.00 N ATOM 849 CA SER A 56 7.933 -5.549 -14.953 1.00 0.00 C ATOM 850 C SER A 56 6.587 -5.601 -15.675 1.00 0.00 C ATOM 851 O SER A 56 6.344 -4.845 -16.621 1.00 0.00 O ATOM 852 CB SER A 56 7.827 -4.606 -13.756 1.00 0.00 C ATOM 853 OG SER A 56 9.108 -4.200 -13.301 1.00 0.00 O ATOM 0 H SER A 56 9.411 -4.208 -15.570 1.00 0.00 H new ATOM 0 HA SER A 56 8.183 -6.555 -14.616 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.243 -3.728 -14.033 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.292 -5.102 -12.946 1.00 0.00 H new ATOM 0 HG SER A 56 9.007 -3.596 -12.536 1.00 0.00 H new ATOM 859 N GLY A 57 5.719 -6.485 -15.216 1.00 0.00 N ATOM 860 CA GLY A 57 4.397 -6.600 -15.796 1.00 0.00 C ATOM 861 C GLY A 57 3.345 -5.961 -14.914 1.00 0.00 C ATOM 862 O GLY A 57 3.664 -5.453 -13.840 1.00 0.00 O ATOM 0 H GLY A 57 5.906 -7.129 -14.448 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.387 -6.126 -16.777 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.156 -7.652 -15.948 1.00 0.00 H new ATOM 866 N LEU A 58 2.098 -5.986 -15.353 1.00 0.00 N ATOM 867 CA LEU A 58 1.019 -5.374 -14.592 1.00 0.00 C ATOM 868 C LEU A 58 -0.042 -6.401 -14.219 1.00 0.00 C ATOM 869 O LEU A 58 -0.576 -7.103 -15.079 1.00 0.00 O ATOM 870 CB LEU A 58 0.378 -4.232 -15.385 1.00 0.00 C ATOM 871 CG LEU A 58 1.287 -3.041 -15.666 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.571 -2.023 -16.538 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.739 -2.398 -14.363 1.00 0.00 C ATOM 0 H LEU A 58 1.807 -6.421 -16.228 1.00 0.00 H new ATOM 0 HA LEU A 58 1.450 -4.972 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.022 -4.628 -16.336 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.497 -3.879 -14.839 1.00 0.00 H new ATOM 0 HG LEU A 58 2.168 -3.397 -16.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.233 -1.179 -16.730 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.291 -2.487 -17.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.325 -1.672 -16.027 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.387 -1.549 -14.582 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.868 -2.055 -13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.286 -3.129 -13.767 1.00 0.00 H new ATOM 885 N VAL A 59 -0.331 -6.483 -12.933 1.00 0.00 N ATOM 886 CA VAL A 59 -1.393 -7.333 -12.422 1.00 0.00 C ATOM 887 C VAL A 59 -2.482 -6.442 -11.852 1.00 0.00 C ATOM 888 O VAL A 59 -2.229 -5.280 -11.530 1.00 0.00 O ATOM 889 CB VAL A 59 -0.878 -8.279 -11.315 1.00 0.00 C ATOM 890 CG1 VAL A 59 -1.923 -9.306 -10.919 1.00 0.00 C ATOM 891 CG2 VAL A 59 0.408 -8.967 -11.739 1.00 0.00 C ATOM 0 H VAL A 59 0.165 -5.961 -12.211 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.775 -7.948 -13.237 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.669 -7.663 -10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.521 -9.952 -10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.811 -8.796 -10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.188 -9.909 -11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.748 -9.627 -10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.228 -9.552 -12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.173 -8.217 -11.940 1.00 0.00 H new ATOM 901 N LYS A 60 -3.682 -6.963 -11.726 1.00 0.00 N ATOM 902 CA LYS A 60 -4.778 -6.173 -11.195 1.00 0.00 C ATOM 903 C LYS A 60 -5.461 -6.911 -10.057 1.00 0.00 C ATOM 904 O LYS A 60 -5.956 -8.024 -10.227 1.00 0.00 O ATOM 905 CB LYS A 60 -5.780 -5.809 -12.296 1.00 0.00 C ATOM 906 CG LYS A 60 -6.850 -4.833 -11.832 1.00 0.00 C ATOM 907 CD LYS A 60 -7.673 -4.298 -12.992 1.00 0.00 C ATOM 908 CE LYS A 60 -8.719 -3.304 -12.511 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.506 -2.731 -13.633 1.00 0.00 N ATOM 0 H LYS A 60 -3.926 -7.920 -11.980 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.369 -5.242 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.242 -5.375 -13.139 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.259 -6.719 -12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.508 -5.329 -11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.380 -4.002 -11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.016 -3.817 -13.716 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.163 -5.125 -13.506 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.393 -3.798 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.228 -2.498 -11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.206 -2.059 -13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.867 -2.236 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.996 -3.496 -14.139 1.00 0.00 H new ATOM 923 N VAL A 61 -5.460 -6.287 -8.888 1.00 0.00 N ATOM 924 CA VAL A 61 -6.077 -6.867 -7.709 1.00 0.00 C ATOM 925 C VAL A 61 -7.341 -6.098 -7.354 1.00 0.00 C ATOM 926 O VAL A 61 -7.266 -4.979 -6.840 1.00 0.00 O ATOM 927 CB VAL A 61 -5.116 -6.864 -6.496 1.00 0.00 C ATOM 928 CG1 VAL A 61 -5.751 -7.569 -5.308 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.787 -7.518 -6.859 1.00 0.00 C ATOM 0 H VAL A 61 -5.035 -5.373 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.323 -7.903 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.922 -5.828 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.060 -7.556 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.672 -7.056 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.978 -8.601 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.126 -7.505 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.961 -8.549 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.322 -6.968 -7.677 1.00 0.00 H new ATOM 939 N ASP A 62 -8.490 -6.693 -7.678 1.00 0.00 N ATOM 940 CA ASP A 62 -9.807 -6.109 -7.393 1.00 0.00 C ATOM 941 C ASP A 62 -10.053 -4.850 -8.214 1.00 0.00 C ATOM 942 O ASP A 62 -10.804 -4.872 -9.185 1.00 0.00 O ATOM 943 CB ASP A 62 -9.977 -5.810 -5.899 1.00 0.00 C ATOM 944 CG ASP A 62 -11.340 -5.224 -5.580 1.00 0.00 C ATOM 945 OD1 ASP A 62 -12.321 -5.998 -5.511 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.442 -3.993 -5.382 1.00 0.00 O ATOM 0 H ASP A 62 -8.536 -7.597 -8.147 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.551 -6.852 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.836 -6.728 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.201 -5.114 -5.579 1.00 0.00 H new ATOM 952 N GLY A 63 -9.414 -3.763 -7.832 1.00 0.00 N ATOM 953 CA GLY A 63 -9.605 -2.509 -8.530 1.00 0.00 C ATOM 954 C GLY A 63 -8.313 -1.742 -8.725 1.00 0.00 C ATOM 955 O GLY A 63 -8.311 -0.671 -9.328 1.00 0.00 O ATOM 0 H GLY A 63 -8.763 -3.722 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.056 -2.705 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.308 -1.891 -7.971 1.00 0.00 H new ATOM 959 N GLU A 64 -7.211 -2.287 -8.219 1.00 0.00 N ATOM 960 CA GLU A 64 -5.917 -1.629 -8.317 1.00 0.00 C ATOM 961 C GLU A 64 -4.984 -2.383 -9.255 1.00 0.00 C ATOM 962 O GLU A 64 -4.923 -3.614 -9.227 1.00 0.00 O ATOM 963 CB GLU A 64 -5.272 -1.533 -6.937 1.00 0.00 C ATOM 964 CG GLU A 64 -6.068 -0.704 -5.951 1.00 0.00 C ATOM 965 CD GLU A 64 -6.231 0.727 -6.406 1.00 0.00 C ATOM 966 OE1 GLU A 64 -5.217 1.442 -6.511 1.00 0.00 O ATOM 967 OE2 GLU A 64 -7.380 1.154 -6.644 1.00 0.00 O ATOM 0 H GLU A 64 -7.191 -3.185 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.082 -0.629 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.145 -2.538 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.276 -1.102 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.051 -1.153 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.571 -0.720 -4.981 1.00 0.00 H new ATOM 975 N THR A 65 -4.259 -1.641 -10.078 1.00 0.00 N ATOM 976 CA THR A 65 -3.262 -2.224 -10.956 1.00 0.00 C ATOM 977 C THR A 65 -1.874 -2.073 -10.344 1.00 0.00 C ATOM 978 O THR A 65 -1.412 -0.964 -10.070 1.00 0.00 O ATOM 979 CB THR A 65 -3.284 -1.570 -12.349 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.628 -1.549 -12.853 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.387 -2.327 -13.322 1.00 0.00 C ATOM 0 H THR A 65 -4.345 -0.628 -10.155 1.00 0.00 H new ATOM 0 HA THR A 65 -3.501 -3.281 -11.072 1.00 0.00 H new ATOM 0 HB THR A 65 -2.909 -0.551 -12.254 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.639 -1.130 -13.739 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.421 -1.844 -14.299 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.362 -2.323 -12.950 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.736 -3.356 -13.413 1.00 0.00 H new ATOM 989 N TRP A 66 -1.225 -3.196 -10.122 1.00 0.00 N ATOM 990 CA TRP A 66 0.089 -3.222 -9.507 1.00 0.00 C ATOM 991 C TRP A 66 1.107 -3.798 -10.475 1.00 0.00 C ATOM 992 O TRP A 66 0.748 -4.480 -11.434 1.00 0.00 O ATOM 993 CB TRP A 66 0.071 -4.063 -8.227 1.00 0.00 C ATOM 994 CG TRP A 66 -0.746 -3.471 -7.115 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.076 -3.670 -6.876 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.280 -2.590 -6.088 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.464 -2.962 -5.764 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.382 -2.290 -5.263 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.959 -2.021 -5.789 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.279 -1.448 -4.158 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 1.063 -1.188 -4.690 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.050 -0.909 -3.885 1.00 0.00 C ATOM 0 H TRP A 66 -1.591 -4.117 -10.362 1.00 0.00 H new ATOM 0 HA TRP A 66 0.366 -2.199 -9.253 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.318 -5.054 -8.462 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.095 -4.197 -7.879 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.727 -4.292 -7.473 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.407 -2.941 -5.375 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.822 -2.228 -6.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.137 -1.228 -3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.018 -0.745 -4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.064 -0.256 -3.032 1.00 0.00 H new ATOM 1013 N ARG A 67 2.377 -3.528 -10.227 1.00 0.00 N ATOM 1014 CA ARG A 67 3.432 -4.099 -11.042 1.00 0.00 C ATOM 1015 C ARG A 67 3.798 -5.458 -10.478 1.00 0.00 C ATOM 1016 O ARG A 67 3.479 -5.757 -9.327 1.00 0.00 O ATOM 1017 CB ARG A 67 4.677 -3.200 -11.076 1.00 0.00 C ATOM 1018 CG ARG A 67 4.471 -1.847 -11.747 1.00 0.00 C ATOM 1019 CD ARG A 67 3.602 -0.926 -10.909 1.00 0.00 C ATOM 1020 NE ARG A 67 3.566 0.436 -11.437 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.602 1.315 -11.162 1.00 0.00 C ATOM 1022 NH1 ARG A 67 1.572 0.964 -10.395 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.671 2.546 -11.654 1.00 0.00 N ATOM 0 H ARG A 67 2.700 -2.921 -9.473 1.00 0.00 H new ATOM 0 HA ARG A 67 3.068 -4.192 -12.065 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.016 -3.035 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.476 -3.729 -11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.439 -1.376 -11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.009 -1.993 -12.724 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.588 -1.324 -10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.978 -0.907 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 67 4.324 0.732 -12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.518 0.019 -10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.837 1.640 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.460 2.817 -12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.935 3.221 -11.445 1.00 0.00 H new ATOM 1037 N ALA A 68 4.450 -6.277 -11.271 1.00 0.00 N ATOM 1038 CA ALA A 68 4.859 -7.589 -10.808 1.00 0.00 C ATOM 1039 C ALA A 68 6.185 -8.013 -11.413 1.00 0.00 C ATOM 1040 O ALA A 68 6.499 -7.670 -12.556 1.00 0.00 O ATOM 1041 CB ALA A 68 3.787 -8.617 -11.117 1.00 0.00 C ATOM 0 H ALA A 68 4.709 -6.063 -12.234 1.00 0.00 H new ATOM 0 HA ALA A 68 4.994 -7.528 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.109 -9.596 -10.763 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.860 -8.337 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.621 -8.657 -12.193 1.00 0.00 H new ATOM 1047 N THR A 69 6.960 -8.748 -10.630 1.00 0.00 N ATOM 1048 CA THR A 69 8.225 -9.299 -11.082 1.00 0.00 C ATOM 1049 C THR A 69 8.306 -10.773 -10.705 1.00 0.00 C ATOM 1050 O THR A 69 7.837 -11.170 -9.632 1.00 0.00 O ATOM 1051 CB THR A 69 9.427 -8.547 -10.468 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.277 -8.474 -9.041 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.552 -7.144 -11.047 1.00 0.00 C ATOM 0 H THR A 69 6.728 -8.978 -9.664 1.00 0.00 H new ATOM 0 HA THR A 69 8.270 -9.184 -12.165 1.00 0.00 H new ATOM 0 HB THR A 69 10.335 -9.098 -10.713 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.899 -9.100 -8.614 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.406 -6.639 -10.596 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.695 -7.207 -12.126 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.644 -6.580 -10.834 1.00 0.00 H new ATOM 1061 N SER A 70 8.878 -11.579 -11.582 1.00 0.00 N ATOM 1062 CA SER A 70 9.031 -12.997 -11.327 1.00 0.00 C ATOM 1063 C SER A 70 10.235 -13.519 -12.094 1.00 0.00 C ATOM 1064 O SER A 70 10.704 -12.875 -13.035 1.00 0.00 O ATOM 1065 CB SER A 70 7.762 -13.753 -11.741 1.00 0.00 C ATOM 1066 OG SER A 70 7.771 -15.084 -11.253 1.00 0.00 O ATOM 0 H SER A 70 9.246 -11.271 -12.482 1.00 0.00 H new ATOM 0 HA SER A 70 9.189 -13.157 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.885 -13.230 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.681 -13.763 -12.828 1.00 0.00 H new ATOM 0 HG SER A 70 7.175 -15.152 -10.478 1.00 0.00 H new ATOM 1072 N GLY A 71 10.745 -14.669 -11.678 1.00 0.00 N ATOM 1073 CA GLY A 71 11.852 -15.283 -12.380 1.00 0.00 C ATOM 1074 C GLY A 71 11.409 -15.863 -13.707 1.00 0.00 C ATOM 1075 O GLY A 71 12.206 -15.996 -14.637 1.00 0.00 O ATOM 0 H GLY A 71 10.411 -15.188 -10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.635 -14.543 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.285 -16.070 -11.763 1.00 0.00 H new ATOM 1079 N THR A 72 10.128 -16.202 -13.793 1.00 0.00 N ATOM 1080 CA THR A 72 9.554 -16.747 -15.007 1.00 0.00 C ATOM 1081 C THR A 72 8.789 -15.676 -15.778 1.00 0.00 C ATOM 1082 O THR A 72 8.167 -14.797 -15.178 1.00 0.00 O ATOM 1083 CB THR A 72 8.604 -17.915 -14.681 1.00 0.00 C ATOM 1084 OG1 THR A 72 7.802 -17.591 -13.533 1.00 0.00 O ATOM 1085 CG2 THR A 72 9.376 -19.197 -14.416 1.00 0.00 C ATOM 0 H THR A 72 9.465 -16.106 -13.024 1.00 0.00 H new ATOM 0 HA THR A 72 10.375 -17.111 -15.625 1.00 0.00 H new ATOM 0 HB THR A 72 7.960 -18.074 -15.546 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.200 -18.338 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.677 -20.002 -14.189 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.958 -19.460 -15.299 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.047 -19.049 -13.570 1.00 0.00 H new ATOM 1093 N VAL A 73 8.838 -15.748 -17.101 1.00 0.00 N ATOM 1094 CA VAL A 73 8.104 -14.813 -17.933 1.00 0.00 C ATOM 1095 C VAL A 73 6.625 -15.205 -17.976 1.00 0.00 C ATOM 1096 O VAL A 73 6.282 -16.373 -18.178 1.00 0.00 O ATOM 1097 CB VAL A 73 8.695 -14.732 -19.364 1.00 0.00 C ATOM 1098 CG1 VAL A 73 8.655 -16.088 -20.058 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.972 -13.674 -20.182 1.00 0.00 C ATOM 0 H VAL A 73 9.377 -16.443 -17.617 1.00 0.00 H new ATOM 0 HA VAL A 73 8.197 -13.821 -17.491 1.00 0.00 H new ATOM 0 HB VAL A 73 9.742 -14.440 -19.280 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.076 -15.997 -21.059 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.237 -16.808 -19.483 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.623 -16.430 -20.129 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.401 -13.632 -21.183 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.914 -13.927 -20.251 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.082 -12.703 -19.699 1.00 0.00 H new ATOM 1109 N LEU A 74 5.757 -14.235 -17.748 1.00 0.00 N ATOM 1110 CA LEU A 74 4.329 -14.491 -17.675 1.00 0.00 C ATOM 1111 C LEU A 74 3.592 -13.653 -18.709 1.00 0.00 C ATOM 1112 O LEU A 74 3.802 -12.443 -18.799 1.00 0.00 O ATOM 1113 CB LEU A 74 3.823 -14.177 -16.268 1.00 0.00 C ATOM 1114 CG LEU A 74 4.530 -14.946 -15.147 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.123 -14.404 -13.789 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.216 -16.429 -15.247 1.00 0.00 C ATOM 0 H LEU A 74 6.018 -13.259 -17.610 1.00 0.00 H new ATOM 0 HA LEU A 74 4.140 -15.543 -17.890 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.938 -13.109 -16.085 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.756 -14.395 -16.223 1.00 0.00 H new ATOM 0 HG LEU A 74 5.606 -14.811 -15.259 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.635 -14.963 -13.006 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.396 -13.351 -13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.045 -14.509 -13.664 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.725 -16.964 -14.445 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.140 -16.580 -15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.558 -16.809 -16.210 1.00 0.00 H new ATOM 1128 N ASP A 75 2.741 -14.299 -19.492 1.00 0.00 N ATOM 1129 CA ASP A 75 2.044 -13.632 -20.583 1.00 0.00 C ATOM 1130 C ASP A 75 0.718 -13.052 -20.115 1.00 0.00 C ATOM 1131 O ASP A 75 0.211 -13.400 -19.047 1.00 0.00 O ATOM 1132 CB ASP A 75 1.800 -14.608 -21.734 1.00 0.00 C ATOM 1133 CG ASP A 75 3.084 -15.099 -22.368 1.00 0.00 C ATOM 1134 OD1 ASP A 75 3.626 -14.392 -23.245 1.00 0.00 O ATOM 1135 OD2 ASP A 75 3.558 -16.194 -21.990 1.00 0.00 O ATOM 0 H ASP A 75 2.515 -15.289 -19.392 1.00 0.00 H new ATOM 0 HA ASP A 75 2.676 -12.815 -20.930 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.232 -15.462 -21.366 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.188 -14.122 -22.493 1.00 0.00 H new ATOM 1141 N VAL A 76 0.156 -12.170 -20.928 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.109 -11.527 -20.614 1.00 0.00 C ATOM 1143 C VAL A 76 -2.244 -12.546 -20.634 1.00 0.00 C ATOM 1144 O VAL A 76 -2.278 -13.434 -21.489 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.419 -10.397 -21.615 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.681 -9.647 -21.212 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.240 -9.442 -21.730 1.00 0.00 C ATOM 0 H VAL A 76 0.562 -11.882 -21.818 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.024 -11.098 -19.615 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.590 -10.848 -22.592 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.879 -8.854 -21.933 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.524 -10.338 -21.191 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.545 -9.211 -20.222 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.480 -8.652 -22.442 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.032 -9.001 -20.755 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.638 -9.988 -22.076 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.157 -12.422 -19.681 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.286 -13.327 -19.609 1.00 0.00 C ATOM 1159 C GLY A 77 -4.078 -14.423 -18.588 1.00 0.00 C ATOM 1160 O GLY A 77 -5.009 -15.161 -18.257 1.00 0.00 O ATOM 0 H GLY A 77 -3.135 -11.707 -18.953 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.185 -12.764 -19.357 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.454 -13.773 -20.589 1.00 0.00 H new ATOM 1164 N GLU A 78 -2.854 -14.542 -18.095 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.527 -15.545 -17.106 1.00 0.00 C ATOM 1166 C GLU A 78 -2.992 -15.139 -15.719 1.00 0.00 C ATOM 1167 O GLU A 78 -3.433 -14.010 -15.497 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.030 -15.796 -17.090 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.529 -16.519 -18.317 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.176 -17.876 -18.508 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.548 -18.891 -18.146 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -2.312 -17.933 -19.019 1.00 0.00 O ATOM 0 H GLU A 78 -2.070 -13.950 -18.369 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.049 -16.461 -17.382 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.510 -14.842 -17.002 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.777 -16.380 -16.205 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.719 -15.905 -19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.551 -16.644 -18.243 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.868 -16.073 -14.792 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.243 -15.847 -13.407 1.00 0.00 C ATOM 1182 C GLU A 79 -2.038 -16.095 -12.512 1.00 0.00 C ATOM 1183 O GLU A 79 -1.273 -17.037 -12.743 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.396 -16.771 -13.006 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.617 -16.653 -13.905 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.788 -17.483 -13.420 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -6.895 -18.660 -13.816 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.624 -16.952 -12.657 1.00 0.00 O ATOM 0 H GLU A 79 -2.505 -17.008 -14.978 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.575 -14.815 -13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.044 -17.803 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.689 -16.548 -11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.919 -15.607 -13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.350 -16.965 -14.915 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.853 -15.248 -11.511 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.691 -15.358 -10.640 1.00 0.00 C ATOM 1198 C VAL A 80 -1.073 -15.323 -9.169 1.00 0.00 C ATOM 1199 O VAL A 80 -2.132 -14.821 -8.800 1.00 0.00 O ATOM 1200 CB VAL A 80 0.332 -14.235 -10.920 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.892 -14.357 -12.325 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.290 -12.861 -10.709 1.00 0.00 C ATOM 0 H VAL A 80 -2.487 -14.482 -11.282 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.238 -16.325 -10.860 1.00 0.00 H new ATOM 0 HB VAL A 80 1.153 -14.346 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.610 -13.556 -12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.388 -15.321 -12.436 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.080 -14.281 -13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.453 -12.090 -10.913 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.136 -12.737 -11.384 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.632 -12.771 -9.678 1.00 0.00 H new ATOM 1212 N SER A 81 -0.203 -15.890 -8.348 1.00 0.00 N ATOM 1213 CA SER A 81 -0.366 -15.863 -6.907 1.00 0.00 C ATOM 1214 C SER A 81 0.583 -14.832 -6.307 1.00 0.00 C ATOM 1215 O SER A 81 1.797 -14.914 -6.504 1.00 0.00 O ATOM 1216 CB SER A 81 -0.070 -17.243 -6.323 1.00 0.00 C ATOM 1217 OG SER A 81 -0.767 -18.257 -7.032 1.00 0.00 O ATOM 0 H SER A 81 0.634 -16.381 -8.663 1.00 0.00 H new ATOM 0 HA SER A 81 -1.394 -15.591 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.002 -17.437 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.358 -17.266 -5.272 1.00 0.00 H new ATOM 0 HG SER A 81 -1.697 -18.292 -6.723 1.00 0.00 H new ATOM 1223 N VAL A 82 0.034 -13.856 -5.602 1.00 0.00 N ATOM 1224 CA VAL A 82 0.849 -12.826 -4.979 1.00 0.00 C ATOM 1225 C VAL A 82 1.506 -13.374 -3.719 1.00 0.00 C ATOM 1226 O VAL A 82 0.832 -13.633 -2.719 1.00 0.00 O ATOM 1227 CB VAL A 82 0.017 -11.577 -4.625 1.00 0.00 C ATOM 1228 CG1 VAL A 82 0.903 -10.478 -4.062 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.752 -11.076 -5.838 1.00 0.00 C ATOM 0 H VAL A 82 -0.969 -13.755 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 82 1.614 -12.531 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.704 -11.860 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.293 -9.607 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.398 -10.836 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.654 -10.201 -4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.331 -10.194 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.051 -10.817 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.426 -11.857 -6.190 1.00 0.00 H new ATOM 1239 N LYS A 83 2.816 -13.560 -3.779 1.00 0.00 N ATOM 1240 CA LYS A 83 3.543 -14.191 -2.689 1.00 0.00 C ATOM 1241 C LYS A 83 4.191 -13.155 -1.777 1.00 0.00 C ATOM 1242 O LYS A 83 4.289 -13.360 -0.567 1.00 0.00 O ATOM 1243 CB LYS A 83 4.604 -15.128 -3.239 1.00 0.00 C ATOM 1244 CG LYS A 83 4.813 -16.353 -2.371 1.00 0.00 C ATOM 1245 CD LYS A 83 5.909 -17.237 -2.925 1.00 0.00 C ATOM 1246 CE LYS A 83 5.915 -18.601 -2.262 1.00 0.00 C ATOM 1247 NZ LYS A 83 4.643 -19.333 -2.504 1.00 0.00 N ATOM 0 H LYS A 83 3.397 -13.283 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 83 2.826 -14.762 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.318 -15.444 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.547 -14.588 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.069 -16.044 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.884 -16.919 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.773 -17.355 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.876 -16.755 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.751 -19.188 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.070 -18.484 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.792 -20.350 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.912 -18.985 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.334 -19.177 -3.485 1.00 0.00 H new ATOM 1261 N ALA A 84 4.645 -12.050 -2.358 1.00 0.00 N ATOM 1262 CA ALA A 84 5.298 -11.000 -1.584 1.00 0.00 C ATOM 1263 C ALA A 84 5.116 -9.632 -2.232 1.00 0.00 C ATOM 1264 O ALA A 84 4.867 -9.532 -3.432 1.00 0.00 O ATOM 1265 CB ALA A 84 6.780 -11.310 -1.422 1.00 0.00 C ATOM 0 H ALA A 84 4.574 -11.858 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 84 4.828 -10.970 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.256 -10.519 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.898 -12.261 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.248 -11.372 -2.404 1.00 0.00 H new ATOM 1271 N ILE A 85 5.227 -8.587 -1.425 1.00 0.00 N ATOM 1272 CA ILE A 85 5.168 -7.217 -1.916 1.00 0.00 C ATOM 1273 C ILE A 85 6.541 -6.579 -1.758 1.00 0.00 C ATOM 1274 O ILE A 85 7.162 -6.707 -0.702 1.00 0.00 O ATOM 1275 CB ILE A 85 4.125 -6.373 -1.144 1.00 0.00 C ATOM 1276 CG1 ILE A 85 2.745 -7.029 -1.216 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.067 -4.953 -1.695 1.00 0.00 C ATOM 1278 CD1 ILE A 85 1.679 -6.302 -0.423 1.00 0.00 C ATOM 0 H ILE A 85 5.360 -8.663 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 85 4.868 -7.243 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 85 4.432 -6.324 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.434 -7.085 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.821 -8.053 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.328 -4.377 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.045 -4.483 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.786 -4.982 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.729 -6.827 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.966 -6.269 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.573 -5.286 -0.802 1.00 0.00 H new ATOM 1290 N GLU A 86 7.023 -5.913 -2.795 1.00 0.00 N ATOM 1291 CA GLU A 86 8.354 -5.333 -2.754 1.00 0.00 C ATOM 1292 C GLU A 86 8.418 -4.062 -3.595 1.00 0.00 C ATOM 1293 O GLU A 86 8.569 -4.119 -4.817 1.00 0.00 O ATOM 1294 CB GLU A 86 9.379 -6.360 -3.241 1.00 0.00 C ATOM 1295 CG GLU A 86 10.820 -5.897 -3.136 1.00 0.00 C ATOM 1296 CD GLU A 86 11.800 -6.995 -3.478 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.594 -7.383 -2.595 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.768 -7.486 -4.625 1.00 0.00 O ATOM 0 H GLU A 86 6.517 -5.762 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 86 8.589 -5.061 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.261 -7.277 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.163 -6.608 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.977 -5.051 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.013 -5.543 -2.123 1.00 0.00 H new ATOM 1306 N GLY A 87 8.280 -2.922 -2.934 1.00 0.00 N ATOM 1307 CA GLY A 87 8.319 -1.653 -3.629 1.00 0.00 C ATOM 1308 C GLY A 87 6.983 -1.321 -4.259 1.00 0.00 C ATOM 1309 O GLY A 87 5.960 -1.273 -3.573 1.00 0.00 O ATOM 0 H GLY A 87 8.141 -2.854 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.599 -0.864 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.088 -1.684 -4.401 1.00 0.00 H new ATOM 1313 N VAL A 88 6.984 -1.101 -5.565 1.00 0.00 N ATOM 1314 CA VAL A 88 5.752 -0.810 -6.290 1.00 0.00 C ATOM 1315 C VAL A 88 5.337 -2.035 -7.104 1.00 0.00 C ATOM 1316 O VAL A 88 4.334 -2.025 -7.827 1.00 0.00 O ATOM 1317 CB VAL A 88 5.921 0.412 -7.223 1.00 0.00 C ATOM 1318 CG1 VAL A 88 4.573 0.915 -7.724 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.672 1.528 -6.513 1.00 0.00 C ATOM 0 H VAL A 88 7.822 -1.118 -6.146 1.00 0.00 H new ATOM 0 HA VAL A 88 4.976 -0.570 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 88 6.504 0.093 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.725 1.774 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.072 0.122 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.956 1.209 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.781 2.379 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.116 1.835 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.658 1.171 -6.217 1.00 0.00 H new ATOM 1329 N LYS A 89 6.116 -3.101 -6.969 1.00 0.00 N ATOM 1330 CA LYS A 89 5.858 -4.326 -7.701 1.00 0.00 C ATOM 1331 C LYS A 89 5.705 -5.512 -6.759 1.00 0.00 C ATOM 1332 O LYS A 89 6.258 -5.531 -5.658 1.00 0.00 O ATOM 1333 CB LYS A 89 6.953 -4.575 -8.741 1.00 0.00 C ATOM 1334 CG LYS A 89 8.367 -4.372 -8.237 1.00 0.00 C ATOM 1335 CD LYS A 89 8.958 -5.656 -7.674 1.00 0.00 C ATOM 1336 CE LYS A 89 10.452 -5.511 -7.431 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.105 -6.805 -7.092 1.00 0.00 N ATOM 0 H LYS A 89 6.932 -3.138 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 89 4.912 -4.210 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.857 -5.596 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.786 -3.911 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.994 -4.010 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.371 -3.602 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.458 -5.911 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.777 -6.478 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.922 -5.093 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.617 -4.801 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.125 -6.739 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.954 -7.017 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.693 -7.564 -7.671 1.00 0.00 H new ATOM 1351 N LEU A 90 4.927 -6.486 -7.189 1.00 0.00 N ATOM 1352 CA LEU A 90 4.671 -7.670 -6.394 1.00 0.00 C ATOM 1353 C LEU A 90 5.552 -8.826 -6.856 1.00 0.00 C ATOM 1354 O LEU A 90 5.938 -8.905 -8.024 1.00 0.00 O ATOM 1355 CB LEU A 90 3.193 -8.064 -6.505 1.00 0.00 C ATOM 1356 CG LEU A 90 2.187 -6.951 -6.208 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.767 -7.451 -6.418 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.363 -6.431 -4.792 1.00 0.00 C ATOM 0 H LEU A 90 4.457 -6.479 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 90 4.907 -7.447 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.009 -8.435 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.004 -8.892 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 90 2.372 -6.128 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.063 -6.647 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.644 -7.774 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.574 -8.291 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.637 -5.640 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.207 -7.245 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.371 -6.035 -4.673 1.00 0.00 H new ATOM 1370 N VAL A 91 5.884 -9.705 -5.930 1.00 0.00 N ATOM 1371 CA VAL A 91 6.586 -10.928 -6.254 1.00 0.00 C ATOM 1372 C VAL A 91 5.563 -12.043 -6.405 1.00 0.00 C ATOM 1373 O VAL A 91 4.962 -12.484 -5.422 1.00 0.00 O ATOM 1374 CB VAL A 91 7.615 -11.302 -5.164 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.376 -12.559 -5.557 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.577 -10.147 -4.915 1.00 0.00 C ATOM 0 H VAL A 91 5.675 -9.591 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 91 7.137 -10.782 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 91 7.076 -11.503 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.096 -12.807 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.675 -13.385 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.902 -12.387 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.294 -10.430 -4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.109 -9.912 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.017 -9.272 -4.586 1.00 0.00 H new ATOM 1386 N VAL A 92 5.332 -12.465 -7.637 1.00 0.00 N ATOM 1387 CA VAL A 92 4.248 -13.390 -7.919 1.00 0.00 C ATOM 1388 C VAL A 92 4.750 -14.689 -8.535 1.00 0.00 C ATOM 1389 O VAL A 92 5.863 -14.760 -9.065 1.00 0.00 O ATOM 1390 CB VAL A 92 3.201 -12.761 -8.867 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.524 -11.565 -8.211 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.845 -12.352 -10.187 1.00 0.00 C ATOM 0 H VAL A 92 5.876 -12.184 -8.452 1.00 0.00 H new ATOM 0 HA VAL A 92 3.783 -13.612 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 92 2.440 -13.513 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.792 -11.140 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.022 -11.886 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.273 -10.812 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.090 -11.912 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.631 -11.622 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.274 -13.230 -10.670 1.00 0.00 H new ATOM 1402 N GLU A 93 3.912 -15.709 -8.453 1.00 0.00 N ATOM 1403 CA GLU A 93 4.173 -16.985 -9.098 1.00 0.00 C ATOM 1404 C GLU A 93 3.048 -17.247 -10.077 1.00 0.00 C ATOM 1405 O GLU A 93 1.975 -16.667 -9.938 1.00 0.00 O ATOM 1406 CB GLU A 93 4.210 -18.130 -8.080 1.00 0.00 C ATOM 1407 CG GLU A 93 5.092 -17.885 -6.868 1.00 0.00 C ATOM 1408 CD GLU A 93 5.049 -19.044 -5.885 1.00 0.00 C ATOM 1409 OE1 GLU A 93 5.998 -19.857 -5.866 1.00 0.00 O ATOM 1410 OE2 GLU A 93 4.061 -19.154 -5.128 1.00 0.00 O ATOM 0 H GLU A 93 3.032 -15.676 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 93 5.142 -16.939 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.194 -18.324 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.554 -19.033 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.120 -17.725 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.772 -16.972 -6.366 1.00 0.00 H new ATOM 1418 N LYS A 94 3.267 -18.107 -11.057 1.00 0.00 N ATOM 1419 CA LYS A 94 2.178 -18.495 -11.932 1.00 0.00 C ATOM 1420 C LYS A 94 1.207 -19.362 -11.146 1.00 0.00 C ATOM 1421 O LYS A 94 1.629 -20.174 -10.321 1.00 0.00 O ATOM 1422 CB LYS A 94 2.672 -19.253 -13.170 1.00 0.00 C ATOM 1423 CG LYS A 94 1.532 -19.643 -14.102 1.00 0.00 C ATOM 1424 CD LYS A 94 1.995 -20.447 -15.304 1.00 0.00 C ATOM 1425 CE LYS A 94 0.802 -20.911 -16.129 1.00 0.00 C ATOM 1426 NZ LYS A 94 1.207 -21.614 -17.377 1.00 0.00 N ATOM 0 H LYS A 94 4.167 -18.540 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 94 1.685 -17.590 -12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.386 -18.633 -13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.204 -20.151 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.797 -20.224 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.028 -18.740 -14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.657 -19.840 -15.921 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.572 -21.310 -14.971 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.185 -21.577 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.185 -20.050 -16.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.358 -21.908 -17.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.774 -20.973 -17.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.773 -22.452 -17.135 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.082 -19.163 -11.370 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.092 -19.972 -10.716 1.00 0.00 C ATOM 1442 C LEU A 95 -0.867 -21.439 -11.052 1.00 0.00 C ATOM 1443 O LEU A 95 -0.317 -21.758 -12.109 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.491 -19.544 -11.151 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.490 -19.411 -10.010 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.193 -18.177 -9.177 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.912 -19.374 -10.539 1.00 0.00 C ATOM 0 H LEU A 95 -0.451 -18.449 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.011 -19.830 -9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.421 -18.588 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.873 -20.269 -11.870 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.391 -20.287 -9.368 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.919 -18.101 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.189 -18.253 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.257 -17.289 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.608 -19.279 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.029 -18.522 -11.209 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.122 -20.295 -11.083 1.00 0.00 H new