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 Single : A 44 LYS NZ :NH3+ 139:sc= 0.64 (180deg=-0.593!) USER MOD Single : A 48 MET CE :methyl 151:sc= -2.14! (180deg=-4.45!) USER MOD Single : A 52 SER OG : rot 8:sc= 0.939 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 56 SER OG : rot 160:sc= 0 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 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 107:sc= 1.07 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 1.45 (180deg=1.07) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -4.330 -8.032 0.493 1.00 0.00 N ATOM 601 CA LEU A 40 -4.251 -8.353 -0.925 1.00 0.00 C ATOM 602 C LEU A 40 -3.176 -9.402 -1.181 1.00 0.00 C ATOM 603 O LEU A 40 -3.096 -9.979 -2.265 1.00 0.00 O ATOM 604 CB LEU A 40 -3.951 -7.093 -1.734 1.00 0.00 C ATOM 605 CG LEU A 40 -5.025 -6.004 -1.668 1.00 0.00 C ATOM 606 CD1 LEU A 40 -4.582 -4.773 -2.446 1.00 0.00 C ATOM 607 CD2 LEU A 40 -6.351 -6.529 -2.204 1.00 0.00 C ATOM 0 HA LEU A 40 -5.213 -8.758 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.008 -6.672 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.807 -7.376 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.166 -5.720 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.357 -4.008 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.657 -4.385 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.414 -5.043 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.103 -5.742 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.226 -6.841 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.674 -7.381 -1.605 1.00 0.00 H new ATOM 619 N ILE A 41 -2.364 -9.650 -0.170 1.00 0.00 N ATOM 620 CA ILE A 41 -1.267 -10.594 -0.286 1.00 0.00 C ATOM 621 C ILE A 41 -1.775 -12.007 -0.071 1.00 0.00 C ATOM 622 O ILE A 41 -2.519 -12.278 0.873 1.00 0.00 O ATOM 623 CB ILE A 41 -0.134 -10.283 0.720 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.270 -8.806 0.633 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.071 -11.178 0.470 1.00 0.00 C ATOM 626 CD1 ILE A 41 0.700 -8.367 -0.752 1.00 0.00 C ATOM 0 H ILE A 41 -2.444 -9.208 0.746 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.855 -10.502 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.506 -10.483 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.570 -8.190 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.086 -8.621 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.855 -10.942 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.778 -12.222 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.444 -11.012 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.970 -7.311 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.561 -8.956 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.121 -8.518 -1.453 1.00 0.00 H new ATOM 638 N GLY A 42 -1.385 -12.898 -0.964 1.00 0.00 N ATOM 639 CA GLY A 42 -1.858 -14.257 -0.903 1.00 0.00 C ATOM 640 C GLY A 42 -3.128 -14.445 -1.707 1.00 0.00 C ATOM 641 O GLY A 42 -3.757 -15.505 -1.655 1.00 0.00 O ATOM 0 H GLY A 42 -0.745 -12.701 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.086 -14.928 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.041 -14.532 0.136 1.00 0.00 H new ATOM 645 N ARG A 43 -3.517 -13.404 -2.433 1.00 0.00 N ATOM 646 CA ARG A 43 -4.690 -13.467 -3.294 1.00 0.00 C ATOM 647 C ARG A 43 -4.280 -13.715 -4.734 1.00 0.00 C ATOM 648 O ARG A 43 -3.113 -13.544 -5.096 1.00 0.00 O ATOM 649 CB ARG A 43 -5.512 -12.179 -3.213 1.00 0.00 C ATOM 650 CG ARG A 43 -6.260 -12.002 -1.906 1.00 0.00 C ATOM 651 CD ARG A 43 -7.182 -10.794 -1.961 1.00 0.00 C ATOM 652 NE ARG A 43 -8.091 -10.857 -3.109 1.00 0.00 N ATOM 653 CZ ARG A 43 -9.078 -9.991 -3.339 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.322 -9.007 -2.476 1.00 0.00 N ATOM 655 NH2 ARG A 43 -9.826 -10.123 -4.429 1.00 0.00 N ATOM 0 H ARG A 43 -3.036 -12.505 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.307 -14.295 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.847 -11.327 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.229 -12.166 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.842 -12.898 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.548 -11.883 -1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.762 -10.737 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.586 -9.883 -2.019 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.959 -11.616 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.753 -8.914 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.078 -8.347 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.643 -10.883 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.583 -9.464 -4.611 1.00 0.00 H new ATOM 669 N LYS A 44 -5.239 -14.113 -5.551 1.00 0.00 N ATOM 670 CA LYS A 44 -4.986 -14.364 -6.955 1.00 0.00 C ATOM 671 C LYS A 44 -5.320 -13.128 -7.783 1.00 0.00 C ATOM 672 O LYS A 44 -6.262 -12.395 -7.475 1.00 0.00 O ATOM 673 CB LYS A 44 -5.809 -15.558 -7.439 1.00 0.00 C ATOM 674 CG LYS A 44 -5.450 -16.007 -8.845 1.00 0.00 C ATOM 675 CD LYS A 44 -6.357 -17.120 -9.343 1.00 0.00 C ATOM 676 CE LYS A 44 -7.800 -16.656 -9.462 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.646 -17.642 -10.188 1.00 0.00 N ATOM 0 H LYS A 44 -6.205 -14.269 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.928 -14.594 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.665 -16.392 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.867 -15.297 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.516 -15.157 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.415 -16.349 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.005 -17.469 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.302 -17.968 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.211 -16.490 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.831 -15.699 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.570 -17.720 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.783 -17.326 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.177 -18.570 -10.186 1.00 0.00 H new ATOM 691 N GLY A 45 -4.542 -12.908 -8.825 1.00 0.00 N ATOM 692 CA GLY A 45 -4.784 -11.811 -9.728 1.00 0.00 C ATOM 693 C GLY A 45 -4.602 -12.238 -11.168 1.00 0.00 C ATOM 694 O GLY A 45 -4.405 -13.424 -11.448 1.00 0.00 O ATOM 0 H GLY A 45 -3.733 -13.481 -9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.796 -11.434 -9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.102 -10.992 -9.500 1.00 0.00 H new ATOM 698 N VAL A 46 -4.655 -11.286 -12.077 1.00 0.00 N ATOM 699 CA VAL A 46 -4.509 -11.576 -13.494 1.00 0.00 C ATOM 700 C VAL A 46 -3.422 -10.697 -14.109 1.00 0.00 C ATOM 701 O VAL A 46 -3.239 -9.544 -13.706 1.00 0.00 O ATOM 702 CB VAL A 46 -5.849 -11.373 -14.242 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.305 -9.921 -14.179 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.750 -11.840 -15.689 1.00 0.00 C ATOM 0 H VAL A 46 -4.799 -10.300 -11.861 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.216 -12.621 -13.596 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.597 -11.984 -13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.249 -9.812 -14.714 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.442 -9.627 -13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.551 -9.283 -14.640 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.707 -11.685 -16.188 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.976 -11.270 -16.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.497 -12.900 -15.713 1.00 0.00 H new ATOM 714 N VAL A 47 -2.687 -11.248 -15.065 1.00 0.00 N ATOM 715 CA VAL A 47 -1.617 -10.513 -15.728 1.00 0.00 C ATOM 716 C VAL A 47 -2.160 -9.725 -16.912 1.00 0.00 C ATOM 717 O VAL A 47 -2.717 -10.300 -17.848 1.00 0.00 O ATOM 718 CB VAL A 47 -0.509 -11.460 -16.226 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.659 -10.672 -16.796 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.043 -12.377 -15.112 1.00 0.00 C ATOM 0 H VAL A 47 -2.812 -12.203 -15.400 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.194 -9.828 -14.993 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.925 -12.077 -17.023 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.429 -11.362 -17.141 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.314 -10.064 -17.633 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.072 -10.024 -16.023 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.739 -13.037 -15.487 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.350 -11.780 -14.289 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.883 -12.975 -14.758 1.00 0.00 H new ATOM 730 N MET A 48 -2.014 -8.411 -16.854 1.00 0.00 N ATOM 731 CA MET A 48 -2.463 -7.542 -17.933 1.00 0.00 C ATOM 732 C MET A 48 -1.283 -7.135 -18.805 1.00 0.00 C ATOM 733 O MET A 48 -1.411 -6.976 -20.020 1.00 0.00 O ATOM 734 CB MET A 48 -3.150 -6.301 -17.359 1.00 0.00 C ATOM 735 CG MET A 48 -4.358 -6.598 -16.475 1.00 0.00 C ATOM 736 SD MET A 48 -5.892 -6.912 -17.389 1.00 0.00 S ATOM 737 CE MET A 48 -5.545 -8.465 -18.212 1.00 0.00 C ATOM 0 H MET A 48 -1.587 -7.920 -16.069 1.00 0.00 H new ATOM 0 HA MET A 48 -3.180 -8.087 -18.547 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.422 -5.734 -16.779 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.467 -5.663 -18.184 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.135 -7.466 -15.854 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.516 -5.756 -15.801 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.475 -9.014 -18.360 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.082 -8.269 -19.179 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.867 -9.058 -17.599 1.00 0.00 H new ATOM 747 N GLU A 49 -0.131 -6.974 -18.179 1.00 0.00 N ATOM 748 CA GLU A 49 1.083 -6.644 -18.903 1.00 0.00 C ATOM 749 C GLU A 49 2.132 -7.715 -18.659 1.00 0.00 C ATOM 750 O GLU A 49 2.294 -8.174 -17.529 1.00 0.00 O ATOM 751 CB GLU A 49 1.608 -5.274 -18.467 1.00 0.00 C ATOM 752 CG GLU A 49 2.841 -4.823 -19.227 1.00 0.00 C ATOM 753 CD GLU A 49 2.582 -4.663 -20.709 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.501 -5.689 -21.419 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.471 -3.510 -21.171 1.00 0.00 O ATOM 0 H GLU A 49 -0.011 -7.066 -17.170 1.00 0.00 H new ATOM 0 HA GLU A 49 0.860 -6.602 -19.969 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.819 -4.534 -18.600 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.840 -5.306 -17.402 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.189 -3.875 -18.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.641 -5.548 -19.077 1.00 0.00 H new ATOM 763 N ALA A 50 2.839 -8.098 -19.719 1.00 0.00 N ATOM 764 CA ALA A 50 3.817 -9.179 -19.658 1.00 0.00 C ATOM 765 C ALA A 50 4.847 -8.934 -18.558 1.00 0.00 C ATOM 766 O ALA A 50 5.440 -7.858 -18.474 1.00 0.00 O ATOM 767 CB ALA A 50 4.510 -9.335 -21.002 1.00 0.00 C ATOM 0 H ALA A 50 2.750 -7.669 -20.640 1.00 0.00 H new ATOM 0 HA ALA A 50 3.286 -10.101 -19.421 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.238 -10.145 -20.944 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.770 -9.566 -21.768 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.020 -8.406 -21.258 1.00 0.00 H new ATOM 773 N ILE A 51 5.050 -9.942 -17.722 1.00 0.00 N ATOM 774 CA ILE A 51 5.942 -9.831 -16.580 1.00 0.00 C ATOM 775 C ILE A 51 7.266 -10.535 -16.852 1.00 0.00 C ATOM 776 O ILE A 51 7.299 -11.741 -17.111 1.00 0.00 O ATOM 777 CB ILE A 51 5.294 -10.432 -15.313 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.985 -9.710 -15.000 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.249 -10.348 -14.129 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.156 -10.393 -13.929 1.00 0.00 C ATOM 0 H ILE A 51 4.603 -10.854 -17.816 1.00 0.00 H new ATOM 0 HA ILE A 51 6.130 -8.770 -16.415 1.00 0.00 H new ATOM 0 HB ILE A 51 5.077 -11.484 -15.499 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.209 -8.692 -14.681 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.394 -9.635 -15.913 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.773 -10.777 -13.247 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.160 -10.903 -14.356 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.498 -9.305 -13.936 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.241 -9.825 -13.759 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.901 -11.402 -14.254 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.729 -10.444 -13.003 1.00 0.00 H new ATOM 792 N SER A 52 8.353 -9.777 -16.800 1.00 0.00 N ATOM 793 CA SER A 52 9.679 -10.339 -16.962 1.00 0.00 C ATOM 794 C SER A 52 10.644 -9.747 -15.942 1.00 0.00 C ATOM 795 O SER A 52 10.387 -8.686 -15.372 1.00 0.00 O ATOM 796 CB SER A 52 10.206 -10.094 -18.382 1.00 0.00 C ATOM 797 OG SER A 52 10.033 -8.741 -18.779 1.00 0.00 O ATOM 0 H SER A 52 8.338 -8.769 -16.646 1.00 0.00 H new ATOM 0 HA SER A 52 9.608 -11.414 -16.796 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.263 -10.355 -18.428 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.686 -10.748 -19.082 1.00 0.00 H new ATOM 0 HG SER A 52 9.718 -8.214 -18.015 1.00 0.00 H new ATOM 803 N PRO A 53 11.755 -10.448 -15.679 1.00 0.00 N ATOM 804 CA PRO A 53 12.838 -9.936 -14.830 1.00 0.00 C ATOM 805 C PRO A 53 13.460 -8.671 -15.416 1.00 0.00 C ATOM 806 O PRO A 53 13.944 -7.802 -14.688 1.00 0.00 O ATOM 807 CB PRO A 53 13.863 -11.077 -14.814 1.00 0.00 C ATOM 808 CG PRO A 53 13.114 -12.291 -15.254 1.00 0.00 C ATOM 809 CD PRO A 53 12.027 -11.807 -16.169 1.00 0.00 C ATOM 0 HA PRO A 53 12.485 -9.660 -13.836 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.696 -10.866 -15.484 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.282 -11.214 -13.817 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.774 -12.989 -15.769 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.695 -12.821 -14.398 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.350 -11.802 -17.210 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.142 -12.440 -16.112 1.00 0.00 H new ATOM 817 N GLN A 54 13.431 -8.569 -16.742 1.00 0.00 N ATOM 818 CA GLN A 54 13.975 -7.406 -17.430 1.00 0.00 C ATOM 819 C GLN A 54 13.075 -6.195 -17.226 1.00 0.00 C ATOM 820 O GLN A 54 13.533 -5.131 -16.820 1.00 0.00 O ATOM 821 CB GLN A 54 14.145 -7.681 -18.924 1.00 0.00 C ATOM 822 CG GLN A 54 15.095 -8.826 -19.229 1.00 0.00 C ATOM 823 CD GLN A 54 15.555 -8.826 -20.673 1.00 0.00 C ATOM 824 OE1 GLN A 54 16.561 -8.199 -21.010 1.00 0.00 O ATOM 825 NE2 GLN A 54 14.836 -9.523 -21.538 1.00 0.00 N ATOM 0 H GLN A 54 13.036 -9.278 -17.360 1.00 0.00 H new ATOM 0 HA GLN A 54 14.956 -7.196 -17.004 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.170 -7.904 -19.357 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.511 -6.777 -19.412 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.964 -8.758 -18.574 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.602 -9.773 -19.008 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.009 -10.030 -21.222 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.109 -9.554 -22.520 1.00 0.00 H new ATOM 834 N ASN A 55 11.792 -6.364 -17.505 1.00 0.00 N ATOM 835 CA ASN A 55 10.838 -5.281 -17.341 1.00 0.00 C ATOM 836 C ASN A 55 9.595 -5.787 -16.625 1.00 0.00 C ATOM 837 O ASN A 55 9.028 -6.816 -17.006 1.00 0.00 O ATOM 838 CB ASN A 55 10.468 -4.671 -18.696 1.00 0.00 C ATOM 839 CG ASN A 55 9.596 -3.437 -18.556 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.661 -2.726 -17.552 1.00 0.00 O ATOM 841 ND2 ASN A 55 8.790 -3.164 -19.568 1.00 0.00 N ATOM 0 H ASN A 55 11.389 -7.237 -17.845 1.00 0.00 H new ATOM 0 HA ASN A 55 11.299 -4.501 -16.736 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.379 -4.410 -19.235 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.945 -5.416 -19.296 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.192 -2.338 -19.535 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.766 -3.779 -20.381 1.00 0.00 H new ATOM 848 N SER A 56 9.186 -5.074 -15.588 1.00 0.00 N ATOM 849 CA SER A 56 8.076 -5.498 -14.754 1.00 0.00 C ATOM 850 C SER A 56 6.755 -5.384 -15.502 1.00 0.00 C ATOM 851 O SER A 56 6.616 -4.586 -16.436 1.00 0.00 O ATOM 852 CB SER A 56 8.034 -4.654 -13.484 1.00 0.00 C ATOM 853 OG SER A 56 9.332 -4.525 -12.928 1.00 0.00 O ATOM 0 H SER A 56 9.611 -4.192 -15.303 1.00 0.00 H new ATOM 0 HA SER A 56 8.225 -6.545 -14.489 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.629 -3.667 -13.710 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.365 -5.114 -12.757 1.00 0.00 H new ATOM 0 HG SER A 56 9.356 -3.750 -12.329 1.00 0.00 H new ATOM 859 N GLY A 57 5.792 -6.187 -15.086 1.00 0.00 N ATOM 860 CA GLY A 57 4.496 -6.175 -15.721 1.00 0.00 C ATOM 861 C GLY A 57 3.448 -5.535 -14.842 1.00 0.00 C ATOM 862 O GLY A 57 3.778 -4.854 -13.872 1.00 0.00 O ATOM 0 H GLY A 57 5.886 -6.850 -14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.559 -5.634 -16.665 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.198 -7.196 -15.958 1.00 0.00 H new ATOM 866 N LEU A 58 2.189 -5.761 -15.177 1.00 0.00 N ATOM 867 CA LEU A 58 1.078 -5.188 -14.435 1.00 0.00 C ATOM 868 C LEU A 58 0.061 -6.260 -14.084 1.00 0.00 C ATOM 869 O LEU A 58 -0.447 -6.963 -14.967 1.00 0.00 O ATOM 870 CB LEU A 58 0.402 -4.076 -15.243 1.00 0.00 C ATOM 871 CG LEU A 58 1.217 -2.797 -15.419 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.474 -1.816 -16.311 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.523 -2.162 -14.070 1.00 0.00 C ATOM 0 H LEU A 58 1.909 -6.343 -15.966 1.00 0.00 H new ATOM 0 HA LEU A 58 1.474 -4.761 -13.514 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.156 -4.467 -16.230 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.540 -3.821 -14.758 1.00 0.00 H new ATOM 0 HG LEU A 58 2.162 -3.056 -15.896 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.067 -0.909 -16.427 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.307 -2.268 -17.289 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.485 -1.567 -15.858 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.104 -1.252 -14.220 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.590 -1.917 -13.563 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.094 -2.861 -13.460 1.00 0.00 H new ATOM 885 N VAL A 59 -0.227 -6.389 -12.799 1.00 0.00 N ATOM 886 CA VAL A 59 -1.221 -7.342 -12.335 1.00 0.00 C ATOM 887 C VAL A 59 -2.486 -6.625 -11.893 1.00 0.00 C ATOM 888 O VAL A 59 -2.431 -5.552 -11.288 1.00 0.00 O ATOM 889 CB VAL A 59 -0.699 -8.228 -11.181 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.330 -9.221 -11.697 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.114 -7.377 -10.062 1.00 0.00 C ATOM 0 H VAL A 59 0.214 -5.845 -12.058 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.444 -7.994 -13.180 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.541 -8.786 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.687 -9.837 -10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.127 -9.858 -12.454 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.169 -8.681 -12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.246 -8.025 -9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.715 -6.785 -10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.883 -6.711 -9.671 1.00 0.00 H new ATOM 901 N LYS A 60 -3.619 -7.213 -12.223 1.00 0.00 N ATOM 902 CA LYS A 60 -4.906 -6.646 -11.881 1.00 0.00 C ATOM 903 C LYS A 60 -5.556 -7.491 -10.795 1.00 0.00 C ATOM 904 O LYS A 60 -6.013 -8.607 -11.051 1.00 0.00 O ATOM 905 CB LYS A 60 -5.777 -6.584 -13.134 1.00 0.00 C ATOM 906 CG LYS A 60 -7.030 -5.741 -12.999 1.00 0.00 C ATOM 907 CD LYS A 60 -7.679 -5.539 -14.361 1.00 0.00 C ATOM 908 CE LYS A 60 -8.890 -4.625 -14.290 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.394 -4.270 -15.643 1.00 0.00 N ATOM 0 H LYS A 60 -3.672 -8.094 -12.734 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.785 -5.633 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.179 -6.190 -13.956 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.067 -7.598 -13.408 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.733 -6.227 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.781 -4.775 -12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.948 -5.118 -15.051 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.979 -6.506 -14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.682 -5.115 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.628 -3.715 -13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.221 -3.645 -15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.646 -3.780 -16.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.668 -5.136 -16.150 1.00 0.00 H new ATOM 923 N VAL A 61 -5.559 -6.970 -9.581 1.00 0.00 N ATOM 924 CA VAL A 61 -6.057 -7.710 -8.433 1.00 0.00 C ATOM 925 C VAL A 61 -7.277 -7.022 -7.831 1.00 0.00 C ATOM 926 O VAL A 61 -7.161 -5.951 -7.229 1.00 0.00 O ATOM 927 CB VAL A 61 -4.969 -7.864 -7.344 1.00 0.00 C ATOM 928 CG1 VAL A 61 -5.483 -8.706 -6.184 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.704 -8.475 -7.929 1.00 0.00 C ATOM 0 H VAL A 61 -5.221 -6.033 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.340 -8.701 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.726 -6.871 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.702 -8.802 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.356 -8.224 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.760 -9.696 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.952 -8.574 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.932 -9.458 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.321 -7.831 -8.720 1.00 0.00 H new ATOM 939 N ASP A 62 -8.448 -7.623 -8.047 1.00 0.00 N ATOM 940 CA ASP A 62 -9.706 -7.161 -7.451 1.00 0.00 C ATOM 941 C ASP A 62 -10.110 -5.789 -7.996 1.00 0.00 C ATOM 942 O ASP A 62 -11.031 -5.149 -7.487 1.00 0.00 O ATOM 943 CB ASP A 62 -9.572 -7.124 -5.922 1.00 0.00 C ATOM 944 CG ASP A 62 -10.906 -7.090 -5.201 1.00 0.00 C ATOM 945 OD1 ASP A 62 -11.564 -8.150 -5.106 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.280 -6.021 -4.677 1.00 0.00 O ATOM 0 H ASP A 62 -8.553 -8.446 -8.641 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.495 -7.863 -7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.012 -7.999 -5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.991 -6.247 -5.637 1.00 0.00 H new ATOM 952 N GLY A 63 -9.423 -5.349 -9.043 1.00 0.00 N ATOM 953 CA GLY A 63 -9.705 -4.054 -9.633 1.00 0.00 C ATOM 954 C GLY A 63 -8.514 -3.120 -9.556 1.00 0.00 C ATOM 955 O GLY A 63 -8.404 -2.170 -10.334 1.00 0.00 O ATOM 0 H GLY A 63 -8.672 -5.869 -9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.994 -4.187 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.554 -3.601 -9.122 1.00 0.00 H new ATOM 959 N GLU A 64 -7.611 -3.397 -8.625 1.00 0.00 N ATOM 960 CA GLU A 64 -6.422 -2.582 -8.452 1.00 0.00 C ATOM 961 C GLU A 64 -5.312 -3.075 -9.371 1.00 0.00 C ATOM 962 O GLU A 64 -5.188 -4.273 -9.619 1.00 0.00 O ATOM 963 CB GLU A 64 -5.946 -2.617 -6.997 1.00 0.00 C ATOM 964 CG GLU A 64 -6.957 -2.066 -6.006 1.00 0.00 C ATOM 965 CD GLU A 64 -7.337 -0.627 -6.293 1.00 0.00 C ATOM 966 OE1 GLU A 64 -6.648 0.291 -5.799 1.00 0.00 O ATOM 967 OE2 GLU A 64 -8.334 -0.406 -7.009 1.00 0.00 O ATOM 0 H GLU A 64 -7.682 -4.182 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.672 -1.553 -8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.710 -3.646 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.021 -2.046 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.854 -2.685 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.546 -2.134 -4.999 1.00 0.00 H new ATOM 975 N THR A 65 -4.520 -2.153 -9.881 1.00 0.00 N ATOM 976 CA THR A 65 -3.430 -2.500 -10.773 1.00 0.00 C ATOM 977 C THR A 65 -2.092 -2.180 -10.117 1.00 0.00 C ATOM 978 O THR A 65 -1.843 -1.043 -9.705 1.00 0.00 O ATOM 979 CB THR A 65 -3.553 -1.754 -12.113 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.895 -1.883 -12.610 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.574 -2.308 -13.138 1.00 0.00 C ATOM 0 H THR A 65 -4.611 -1.155 -9.693 1.00 0.00 H new ATOM 0 HA THR A 65 -3.483 -3.570 -10.973 1.00 0.00 H new ATOM 0 HB THR A 65 -3.317 -0.703 -11.947 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.975 -1.407 -13.463 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.682 -1.763 -14.076 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.555 -2.194 -12.767 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.782 -3.365 -13.306 1.00 0.00 H new ATOM 989 N TRP A 66 -1.250 -3.191 -10.001 1.00 0.00 N ATOM 990 CA TRP A 66 0.051 -3.049 -9.359 1.00 0.00 C ATOM 991 C TRP A 66 1.155 -3.520 -10.296 1.00 0.00 C ATOM 992 O TRP A 66 0.886 -4.195 -11.291 1.00 0.00 O ATOM 993 CB TRP A 66 0.109 -3.873 -8.069 1.00 0.00 C ATOM 994 CG TRP A 66 -0.891 -3.467 -7.029 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.199 -3.857 -6.943 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.658 -2.604 -5.911 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.791 -3.284 -5.845 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.865 -2.510 -5.195 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.457 -1.896 -5.450 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.989 -1.741 -4.038 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.334 -1.133 -4.304 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.879 -1.060 -3.609 1.00 0.00 C ATOM 0 H TRP A 66 -1.444 -4.131 -10.346 1.00 0.00 H new ATOM 0 HA TRP A 66 0.196 -1.995 -9.121 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.048 -4.923 -8.316 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.110 -3.791 -7.645 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.694 -4.519 -7.638 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.762 -3.413 -5.559 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.397 -1.945 -5.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.924 -1.684 -3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.189 -0.583 -3.938 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.942 -0.455 -2.717 1.00 0.00 H new ATOM 1013 N ARG A 67 2.396 -3.176 -9.974 1.00 0.00 N ATOM 1014 CA ARG A 67 3.532 -3.671 -10.731 1.00 0.00 C ATOM 1015 C ARG A 67 3.864 -5.070 -10.244 1.00 0.00 C ATOM 1016 O ARG A 67 3.586 -5.409 -9.094 1.00 0.00 O ATOM 1017 CB ARG A 67 4.764 -2.772 -10.572 1.00 0.00 C ATOM 1018 CG ARG A 67 4.585 -1.341 -11.052 1.00 0.00 C ATOM 1019 CD ARG A 67 3.786 -0.523 -10.057 1.00 0.00 C ATOM 1020 NE ARG A 67 3.813 0.904 -10.362 1.00 0.00 N ATOM 1021 CZ ARG A 67 3.407 1.850 -9.514 1.00 0.00 C ATOM 1022 NH1 ARG A 67 2.946 1.515 -8.315 1.00 0.00 N ATOM 1023 NH2 ARG A 67 3.460 3.128 -9.865 1.00 0.00 N ATOM 0 H ARG A 67 2.638 -2.560 -9.198 1.00 0.00 H new ATOM 0 HA ARG A 67 3.264 -3.677 -11.788 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.047 -2.753 -9.520 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.594 -3.220 -11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.562 -0.881 -11.203 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.079 -1.339 -12.017 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.753 -0.871 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.183 -0.685 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 67 4.162 1.194 -11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.902 0.533 -8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.636 2.239 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.812 3.390 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.149 3.849 -9.214 1.00 0.00 H new ATOM 1037 N ALA A 68 4.457 -5.877 -11.098 1.00 0.00 N ATOM 1038 CA ALA A 68 4.731 -7.258 -10.741 1.00 0.00 C ATOM 1039 C ALA A 68 6.071 -7.740 -11.273 1.00 0.00 C ATOM 1040 O ALA A 68 6.490 -7.381 -12.378 1.00 0.00 O ATOM 1041 CB ALA A 68 3.618 -8.158 -11.244 1.00 0.00 C ATOM 0 H ALA A 68 4.757 -5.608 -12.035 1.00 0.00 H new ATOM 0 HA ALA A 68 4.779 -7.306 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.834 -9.191 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.673 -7.854 -10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.547 -8.077 -12.329 1.00 0.00 H new ATOM 1047 N THR A 69 6.738 -8.544 -10.459 1.00 0.00 N ATOM 1048 CA THR A 69 7.984 -9.193 -10.826 1.00 0.00 C ATOM 1049 C THR A 69 7.936 -10.661 -10.416 1.00 0.00 C ATOM 1050 O THR A 69 7.152 -11.037 -9.541 1.00 0.00 O ATOM 1051 CB THR A 69 9.196 -8.512 -10.155 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.925 -8.281 -8.765 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.540 -7.193 -10.833 1.00 0.00 C ATOM 0 H THR A 69 6.424 -8.766 -9.514 1.00 0.00 H new ATOM 0 HA THR A 69 8.102 -9.109 -11.906 1.00 0.00 H new ATOM 0 HB THR A 69 10.050 -9.181 -10.256 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.700 -7.850 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.398 -6.741 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.782 -7.374 -11.880 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.686 -6.518 -10.770 1.00 0.00 H new ATOM 1061 N SER A 70 8.757 -11.485 -11.050 1.00 0.00 N ATOM 1062 CA SER A 70 8.801 -12.901 -10.742 1.00 0.00 C ATOM 1063 C SER A 70 10.081 -13.515 -11.289 1.00 0.00 C ATOM 1064 O SER A 70 10.727 -12.939 -12.165 1.00 0.00 O ATOM 1065 CB SER A 70 7.580 -13.607 -11.338 1.00 0.00 C ATOM 1066 OG SER A 70 7.479 -14.945 -10.879 1.00 0.00 O ATOM 0 H SER A 70 9.403 -11.193 -11.783 1.00 0.00 H new ATOM 0 HA SER A 70 8.786 -13.027 -9.659 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.676 -13.060 -11.071 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.648 -13.598 -12.426 1.00 0.00 H new ATOM 0 HG SER A 70 6.746 -15.015 -10.232 1.00 0.00 H new ATOM 1072 N GLY A 71 10.445 -14.678 -10.760 1.00 0.00 N ATOM 1073 CA GLY A 71 11.590 -15.402 -11.268 1.00 0.00 C ATOM 1074 C GLY A 71 11.248 -16.159 -12.535 1.00 0.00 C ATOM 1075 O GLY A 71 12.123 -16.726 -13.190 1.00 0.00 O ATOM 0 H GLY A 71 9.963 -15.132 -9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.404 -14.705 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.946 -16.100 -10.510 1.00 0.00 H new ATOM 1079 N THR A 72 9.962 -16.174 -12.865 1.00 0.00 N ATOM 1080 CA THR A 72 9.481 -16.820 -14.074 1.00 0.00 C ATOM 1081 C THR A 72 8.871 -15.772 -15.004 1.00 0.00 C ATOM 1082 O THR A 72 8.668 -14.625 -14.605 1.00 0.00 O ATOM 1083 CB THR A 72 8.419 -17.885 -13.740 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.782 -18.563 -12.529 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.280 -18.909 -14.857 1.00 0.00 C ATOM 0 H THR A 72 9.229 -15.740 -12.304 1.00 0.00 H new ATOM 0 HA THR A 72 10.323 -17.308 -14.564 1.00 0.00 H new ATOM 0 HB THR A 72 7.463 -17.375 -13.620 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.105 -19.239 -12.317 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.522 -19.644 -14.585 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.984 -18.406 -15.777 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.235 -19.412 -15.010 1.00 0.00 H new ATOM 1093 N VAL A 73 8.578 -16.164 -16.231 1.00 0.00 N ATOM 1094 CA VAL A 73 7.958 -15.263 -17.187 1.00 0.00 C ATOM 1095 C VAL A 73 6.444 -15.467 -17.186 1.00 0.00 C ATOM 1096 O VAL A 73 5.957 -16.600 -17.218 1.00 0.00 O ATOM 1097 CB VAL A 73 8.536 -15.458 -18.613 1.00 0.00 C ATOM 1098 CG1 VAL A 73 8.331 -16.884 -19.102 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.926 -14.458 -19.589 1.00 0.00 C ATOM 0 H VAL A 73 8.760 -17.101 -16.590 1.00 0.00 H new ATOM 0 HA VAL A 73 8.181 -14.240 -16.884 1.00 0.00 H new ATOM 0 HB VAL A 73 9.609 -15.274 -18.563 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.747 -16.988 -20.104 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.834 -17.576 -18.427 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.265 -17.111 -19.126 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.347 -14.615 -20.582 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.846 -14.599 -19.627 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.148 -13.444 -19.257 1.00 0.00 H new ATOM 1109 N LEU A 74 5.705 -14.374 -17.113 1.00 0.00 N ATOM 1110 CA LEU A 74 4.255 -14.443 -17.052 1.00 0.00 C ATOM 1111 C LEU A 74 3.639 -13.640 -18.190 1.00 0.00 C ATOM 1112 O LEU A 74 3.967 -12.467 -18.383 1.00 0.00 O ATOM 1113 CB LEU A 74 3.767 -13.922 -15.701 1.00 0.00 C ATOM 1114 CG LEU A 74 4.347 -14.652 -14.485 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.007 -13.916 -13.203 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.829 -16.082 -14.425 1.00 0.00 C ATOM 0 H LEU A 74 6.085 -13.428 -17.094 1.00 0.00 H new ATOM 0 HA LEU A 74 3.944 -15.482 -17.160 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.015 -12.863 -15.624 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.680 -13.998 -15.669 1.00 0.00 H new ATOM 0 HG LEU A 74 5.432 -14.677 -14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.429 -14.452 -12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.423 -12.909 -13.240 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.924 -13.857 -13.094 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.251 -16.586 -13.555 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.742 -16.072 -14.347 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.123 -16.614 -15.330 1.00 0.00 H new ATOM 1128 N ASP A 75 2.756 -14.279 -18.942 1.00 0.00 N ATOM 1129 CA ASP A 75 2.162 -13.653 -20.113 1.00 0.00 C ATOM 1130 C ASP A 75 0.788 -13.089 -19.776 1.00 0.00 C ATOM 1131 O ASP A 75 0.294 -13.248 -18.660 1.00 0.00 O ATOM 1132 CB ASP A 75 2.046 -14.667 -21.256 1.00 0.00 C ATOM 1133 CG ASP A 75 2.106 -14.020 -22.627 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.125 -13.369 -23.032 1.00 0.00 O ATOM 1135 OD2 ASP A 75 3.141 -14.170 -23.313 1.00 0.00 O ATOM 0 H ASP A 75 2.435 -15.230 -18.762 1.00 0.00 H new ATOM 0 HA ASP A 75 2.808 -12.835 -20.431 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.850 -15.398 -21.169 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.107 -15.212 -21.158 1.00 0.00 H new ATOM 1141 N VAL A 76 0.169 -12.460 -20.753 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.097 -11.774 -20.558 1.00 0.00 C ATOM 1143 C VAL A 76 -2.256 -12.766 -20.528 1.00 0.00 C ATOM 1144 O VAL A 76 -2.320 -13.697 -21.337 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.344 -10.735 -21.673 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.625 -9.952 -21.419 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.154 -9.793 -21.798 1.00 0.00 C ATOM 0 H VAL A 76 0.527 -12.408 -21.707 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.042 -11.259 -19.599 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.461 -11.272 -22.615 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.774 -9.228 -22.220 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.471 -10.638 -21.389 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.549 -9.429 -20.466 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.346 -9.068 -22.589 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.004 -9.270 -20.854 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.740 -10.367 -22.041 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.164 -12.569 -19.582 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.324 -13.427 -19.471 1.00 0.00 C ATOM 1159 C GLY A 77 -4.124 -14.535 -18.460 1.00 0.00 C ATOM 1160 O GLY A 77 -5.058 -15.270 -18.140 1.00 0.00 O ATOM 0 H GLY A 77 -3.116 -11.825 -18.886 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.189 -12.829 -19.185 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.545 -13.863 -20.445 1.00 0.00 H new ATOM 1164 N GLU A 78 -2.903 -14.665 -17.958 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.593 -15.669 -16.968 1.00 0.00 C ATOM 1166 C GLU A 78 -3.054 -15.245 -15.589 1.00 0.00 C ATOM 1167 O GLU A 78 -3.415 -14.088 -15.361 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.100 -15.927 -16.940 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.582 -16.622 -18.176 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.281 -17.934 -18.454 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -2.194 -17.964 -19.304 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -0.915 -18.949 -17.830 1.00 0.00 O ATOM 0 H GLU A 78 -2.112 -14.080 -18.227 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.121 -16.582 -17.244 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.578 -14.977 -16.822 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.861 -16.533 -16.066 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.705 -15.962 -19.035 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.487 -16.803 -18.063 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.004 -16.186 -14.669 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.402 -15.934 -13.297 1.00 0.00 C ATOM 1182 C GLU A 79 -2.198 -16.050 -12.382 1.00 0.00 C ATOM 1183 O GLU A 79 -1.403 -16.986 -12.504 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.498 -16.900 -12.845 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.760 -16.844 -13.691 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.984 -17.306 -12.930 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.106 -18.512 -12.645 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.836 -16.453 -12.602 1.00 0.00 O ATOM 0 H GLU A 79 -2.689 -17.140 -14.847 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.805 -14.923 -13.243 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.104 -17.916 -12.866 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.757 -16.680 -11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.916 -15.823 -14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.629 -17.467 -14.576 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.061 -15.102 -11.474 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.916 -15.073 -10.579 1.00 0.00 C ATOM 1198 C VAL A 80 -1.345 -15.022 -9.124 1.00 0.00 C ATOM 1199 O VAL A 80 -2.432 -14.551 -8.801 1.00 0.00 O ATOM 1200 CB VAL A 80 0.003 -13.874 -10.876 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.675 -14.047 -12.225 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.777 -12.568 -10.826 1.00 0.00 C ATOM 0 H VAL A 80 -2.727 -14.342 -11.336 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.364 -15.997 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 80 0.775 -13.834 -10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.322 -13.192 -12.422 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.271 -14.959 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.085 -14.114 -13.004 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.107 -11.735 -11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.574 -12.591 -11.569 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.210 -12.441 -9.834 1.00 0.00 H new ATOM 1212 N SER A 81 -0.488 -15.530 -8.260 1.00 0.00 N ATOM 1213 CA SER A 81 -0.707 -15.467 -6.827 1.00 0.00 C ATOM 1214 C SER A 81 0.300 -14.504 -6.208 1.00 0.00 C ATOM 1215 O SER A 81 1.507 -14.643 -6.417 1.00 0.00 O ATOM 1216 CB SER A 81 -0.569 -16.866 -6.212 1.00 0.00 C ATOM 1217 OG SER A 81 -0.799 -16.850 -4.815 1.00 0.00 O ATOM 0 H SER A 81 0.378 -15.997 -8.530 1.00 0.00 H new ATOM 0 HA SER A 81 -1.715 -15.105 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.276 -17.544 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.430 -17.254 -6.412 1.00 0.00 H new ATOM 0 HG SER A 81 -0.705 -17.758 -4.458 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.194 -13.511 -5.481 1.00 0.00 N ATOM 1224 CA VAL A 82 0.677 -12.531 -4.844 1.00 0.00 C ATOM 1225 C VAL A 82 1.420 -13.175 -3.681 1.00 0.00 C ATOM 1226 O VAL A 82 0.838 -13.429 -2.628 1.00 0.00 O ATOM 1227 CB VAL A 82 -0.109 -11.300 -4.339 1.00 0.00 C ATOM 1228 CG1 VAL A 82 0.844 -10.250 -3.790 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.971 -10.721 -5.452 1.00 0.00 C ATOM 0 H VAL A 82 -1.190 -13.362 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 82 1.388 -12.188 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.768 -11.618 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.274 -9.390 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.412 -10.672 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.530 -9.934 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.517 -9.855 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.335 -10.417 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.679 -11.476 -5.794 1.00 0.00 H new ATOM 1239 N LYS A 83 2.698 -13.444 -3.885 1.00 0.00 N ATOM 1240 CA LYS A 83 3.484 -14.184 -2.916 1.00 0.00 C ATOM 1241 C LYS A 83 4.195 -13.240 -1.951 1.00 0.00 C ATOM 1242 O LYS A 83 4.182 -13.457 -0.738 1.00 0.00 O ATOM 1243 CB LYS A 83 4.506 -15.059 -3.645 1.00 0.00 C ATOM 1244 CG LYS A 83 5.141 -16.116 -2.777 1.00 0.00 C ATOM 1245 CD LYS A 83 4.097 -17.099 -2.329 1.00 0.00 C ATOM 1246 CE LYS A 83 4.685 -18.200 -1.465 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.644 -19.151 -0.997 1.00 0.00 N ATOM 0 H LYS A 83 3.214 -13.159 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 83 2.812 -14.816 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.017 -15.544 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.289 -14.421 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.926 -16.632 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.614 -15.653 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.322 -16.575 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.617 -17.541 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.443 -18.741 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.186 -17.758 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.085 -19.888 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.934 -18.640 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.183 -19.592 -1.818 1.00 0.00 H new ATOM 1261 N ALA A 84 4.803 -12.188 -2.490 1.00 0.00 N ATOM 1262 CA ALA A 84 5.584 -11.260 -1.677 1.00 0.00 C ATOM 1263 C ALA A 84 5.557 -9.847 -2.256 1.00 0.00 C ATOM 1264 O ALA A 84 4.902 -9.592 -3.269 1.00 0.00 O ATOM 1265 CB ALA A 84 7.017 -11.757 -1.550 1.00 0.00 C ATOM 0 H ALA A 84 4.771 -11.957 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 84 5.132 -11.217 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.592 -11.058 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.021 -12.739 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.466 -11.830 -2.541 1.00 0.00 H new ATOM 1271 N ILE A 85 6.278 -8.935 -1.613 1.00 0.00 N ATOM 1272 CA ILE A 85 6.317 -7.536 -2.035 1.00 0.00 C ATOM 1273 C ILE A 85 7.762 -7.064 -2.187 1.00 0.00 C ATOM 1274 O ILE A 85 8.634 -7.465 -1.416 1.00 0.00 O ATOM 1275 CB ILE A 85 5.603 -6.620 -1.012 1.00 0.00 C ATOM 1276 CG1 ILE A 85 4.221 -7.178 -0.658 1.00 0.00 C ATOM 1277 CG2 ILE A 85 5.479 -5.196 -1.563 1.00 0.00 C ATOM 1278 CD1 ILE A 85 3.512 -6.383 0.419 1.00 0.00 C ATOM 0 H ILE A 85 6.848 -9.140 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 85 5.801 -7.473 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 85 6.204 -6.589 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.602 -7.193 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.328 -8.211 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.975 -4.565 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.473 -4.796 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.901 -5.212 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.540 -6.832 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.111 -6.389 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.374 -5.356 0.082 1.00 0.00 H new ATOM 1290 N GLU A 86 8.009 -6.229 -3.186 1.00 0.00 N ATOM 1291 CA GLU A 86 9.319 -5.627 -3.377 1.00 0.00 C ATOM 1292 C GLU A 86 9.147 -4.175 -3.818 1.00 0.00 C ATOM 1293 O GLU A 86 9.024 -3.883 -5.013 1.00 0.00 O ATOM 1294 CB GLU A 86 10.130 -6.423 -4.411 1.00 0.00 C ATOM 1295 CG GLU A 86 11.645 -6.261 -4.287 1.00 0.00 C ATOM 1296 CD GLU A 86 12.136 -4.872 -4.646 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.217 -4.006 -3.748 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.445 -4.636 -5.832 1.00 0.00 O ATOM 0 H GLU A 86 7.315 -5.952 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 86 9.869 -5.648 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.881 -7.480 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.824 -6.114 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.945 -6.491 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.134 -6.989 -4.934 1.00 0.00 H new ATOM 1306 N GLY A 87 9.105 -3.273 -2.845 1.00 0.00 N ATOM 1307 CA GLY A 87 8.879 -1.870 -3.135 1.00 0.00 C ATOM 1308 C GLY A 87 7.442 -1.610 -3.534 1.00 0.00 C ATOM 1309 O GLY A 87 6.521 -1.871 -2.762 1.00 0.00 O ATOM 0 H GLY A 87 9.224 -3.490 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.128 -1.272 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.544 -1.552 -3.938 1.00 0.00 H new ATOM 1313 N VAL A 88 7.252 -1.105 -4.744 1.00 0.00 N ATOM 1314 CA VAL A 88 5.914 -0.893 -5.282 1.00 0.00 C ATOM 1315 C VAL A 88 5.572 -1.999 -6.271 1.00 0.00 C ATOM 1316 O VAL A 88 4.551 -1.951 -6.961 1.00 0.00 O ATOM 1317 CB VAL A 88 5.778 0.483 -5.973 1.00 0.00 C ATOM 1318 CG1 VAL A 88 6.060 1.609 -4.987 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.701 0.580 -7.181 1.00 0.00 C ATOM 0 H VAL A 88 8.007 -0.834 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 88 5.217 -0.914 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 88 4.751 0.585 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.959 2.569 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.349 1.557 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.074 1.508 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.586 1.558 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.735 0.450 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.444 -0.199 -7.899 1.00 0.00 H new ATOM 1329 N LYS A 89 6.446 -2.993 -6.333 1.00 0.00 N ATOM 1330 CA LYS A 89 6.258 -4.132 -7.211 1.00 0.00 C ATOM 1331 C LYS A 89 5.905 -5.353 -6.378 1.00 0.00 C ATOM 1332 O LYS A 89 6.459 -5.555 -5.300 1.00 0.00 O ATOM 1333 CB LYS A 89 7.538 -4.413 -8.001 1.00 0.00 C ATOM 1334 CG LYS A 89 8.147 -3.179 -8.648 1.00 0.00 C ATOM 1335 CD LYS A 89 9.446 -3.511 -9.369 1.00 0.00 C ATOM 1336 CE LYS A 89 10.481 -4.108 -8.425 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.885 -3.161 -7.353 1.00 0.00 N ATOM 0 H LYS A 89 7.301 -3.030 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 89 5.452 -3.910 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.274 -4.862 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.321 -5.148 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.437 -2.749 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.336 -2.423 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.244 -4.214 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.849 -2.607 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.076 -5.013 -7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.361 -4.403 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.716 -3.536 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.121 -2.240 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.101 -3.043 -6.680 1.00 0.00 H new ATOM 1351 N LEU A 90 4.979 -6.155 -6.859 1.00 0.00 N ATOM 1352 CA LEU A 90 4.618 -7.373 -6.164 1.00 0.00 C ATOM 1353 C LEU A 90 5.390 -8.551 -6.731 1.00 0.00 C ATOM 1354 O LEU A 90 5.721 -8.577 -7.917 1.00 0.00 O ATOM 1355 CB LEU A 90 3.118 -7.642 -6.280 1.00 0.00 C ATOM 1356 CG LEU A 90 2.207 -6.536 -5.742 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.747 -6.920 -5.906 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.523 -6.244 -4.283 1.00 0.00 C ATOM 0 H LEU A 90 4.465 -5.987 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 90 4.871 -7.248 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.877 -7.809 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.890 -8.567 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 90 2.390 -5.630 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.115 -6.121 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.528 -7.075 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.549 -7.840 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.865 -5.455 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.371 -7.146 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.560 -5.921 -4.193 1.00 0.00 H new ATOM 1370 N VAL A 91 5.681 -9.509 -5.880 1.00 0.00 N ATOM 1371 CA VAL A 91 6.327 -10.737 -6.301 1.00 0.00 C ATOM 1372 C VAL A 91 5.266 -11.813 -6.426 1.00 0.00 C ATOM 1373 O VAL A 91 4.713 -12.267 -5.426 1.00 0.00 O ATOM 1374 CB VAL A 91 7.416 -11.189 -5.304 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.110 -12.449 -5.798 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.429 -10.079 -5.068 1.00 0.00 C ATOM 0 H VAL A 91 5.479 -9.462 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 91 6.820 -10.563 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 91 6.930 -11.415 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.873 -12.749 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.378 -13.249 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.577 -12.253 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.186 -10.421 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.906 -9.815 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.922 -9.204 -4.660 1.00 0.00 H new ATOM 1386 N VAL A 92 4.960 -12.193 -7.653 1.00 0.00 N ATOM 1387 CA VAL A 92 3.850 -13.097 -7.908 1.00 0.00 C ATOM 1388 C VAL A 92 4.325 -14.409 -8.511 1.00 0.00 C ATOM 1389 O VAL A 92 5.376 -14.471 -9.153 1.00 0.00 O ATOM 1390 CB VAL A 92 2.803 -12.452 -8.845 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.118 -11.279 -8.159 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.446 -12.003 -10.149 1.00 0.00 C ATOM 0 H VAL A 92 5.462 -11.891 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 92 3.385 -13.302 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 92 2.049 -13.205 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.385 -10.839 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.616 -11.628 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.862 -10.528 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.689 -11.553 -10.792 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.225 -11.271 -9.937 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.885 -12.864 -10.654 1.00 0.00 H new ATOM 1402 N GLU A 93 3.546 -15.453 -8.290 1.00 0.00 N ATOM 1403 CA GLU A 93 3.818 -16.761 -8.864 1.00 0.00 C ATOM 1404 C GLU A 93 2.688 -17.162 -9.790 1.00 0.00 C ATOM 1405 O GLU A 93 1.599 -16.590 -9.733 1.00 0.00 O ATOM 1406 CB GLU A 93 4.000 -17.821 -7.771 1.00 0.00 C ATOM 1407 CG GLU A 93 2.956 -17.759 -6.667 1.00 0.00 C ATOM 1408 CD GLU A 93 3.043 -18.926 -5.706 1.00 0.00 C ATOM 1409 OE1 GLU A 93 4.168 -19.321 -5.338 1.00 0.00 O ATOM 1410 OE2 GLU A 93 1.982 -19.453 -5.309 1.00 0.00 O ATOM 0 H GLU A 93 2.708 -15.419 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 93 4.747 -16.697 -9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.970 -18.809 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.989 -17.705 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.076 -16.829 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.962 -17.737 -7.115 1.00 0.00 H new ATOM 1418 N LYS A 94 2.944 -18.138 -10.638 1.00 0.00 N ATOM 1419 CA LYS A 94 1.944 -18.599 -11.584 1.00 0.00 C ATOM 1420 C LYS A 94 0.939 -19.483 -10.862 1.00 0.00 C ATOM 1421 O LYS A 94 1.308 -20.468 -10.223 1.00 0.00 O ATOM 1422 CB LYS A 94 2.614 -19.358 -12.734 1.00 0.00 C ATOM 1423 CG LYS A 94 1.768 -19.493 -13.997 1.00 0.00 C ATOM 1424 CD LYS A 94 0.668 -20.533 -13.850 1.00 0.00 C ATOM 1425 CE LYS A 94 -0.179 -20.625 -15.107 1.00 0.00 C ATOM 1426 NZ LYS A 94 -1.323 -21.560 -14.939 1.00 0.00 N ATOM 0 H LYS A 94 3.837 -18.629 -10.692 1.00 0.00 H new ATOM 0 HA LYS A 94 1.419 -17.743 -12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.544 -18.851 -12.990 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.880 -20.356 -12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.322 -18.528 -14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.411 -19.764 -14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.111 -21.506 -13.636 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.035 -20.277 -13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.555 -19.635 -15.365 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.442 -20.957 -15.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.968 -21.468 -15.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.969 -22.536 -14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.833 -21.330 -14.063 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.322 -19.120 -10.961 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.381 -19.854 -10.298 1.00 0.00 C ATOM 1442 C LEU A 95 -1.906 -20.940 -11.218 1.00 0.00 C ATOM 1443 O LEU A 95 -2.127 -20.717 -12.411 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.496 -18.889 -9.887 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.517 -19.407 -8.865 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -4.535 -20.341 -9.507 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -2.809 -20.092 -7.701 1.00 0.00 C ATOM 0 H LEU A 95 -0.641 -18.314 -11.499 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.992 -20.330 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.034 -17.990 -9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.036 -18.591 -10.786 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.065 -18.547 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.240 -20.686 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.075 -19.808 -10.290 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.020 -21.198 -9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.549 -20.453 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.225 -20.933 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.146 -19.380 -7.209 1.00 0.00 H new