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 56 SER OG : rot -123:sc= 0.127 USER MOD Set 1.2: A 69 THR OG1 : rot 102:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.445) USER MOD Single : A 48 MET CE :methyl -160:sc= -0.156 (180deg=-0.742) USER MOD Single : A 52 SER OG : rot -0:sc= 0.382 USER MOD Single : A 54 GLN : amide:sc= 0.472 K(o=0.47,f=-6.6!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.0031) 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 70 SER OG : rot 99:sc= 0.747 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.657 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -139:sc= 1.28 (180deg=-0.722) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 1.22 (180deg=-0.394) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.436 -9.044 0.817 1.00 0.00 N ATOM 601 CA LEU A 40 -3.415 -9.478 -0.572 1.00 0.00 C ATOM 602 C LEU A 40 -2.488 -10.682 -0.741 1.00 0.00 C ATOM 603 O LEU A 40 -2.474 -11.329 -1.791 1.00 0.00 O ATOM 604 CB LEU A 40 -2.952 -8.330 -1.475 1.00 0.00 C ATOM 605 CG LEU A 40 -3.802 -7.057 -1.410 1.00 0.00 C ATOM 606 CD1 LEU A 40 -3.199 -5.972 -2.287 1.00 0.00 C ATOM 607 CD2 LEU A 40 -5.235 -7.345 -1.829 1.00 0.00 C ATOM 0 HA LEU A 40 -4.425 -9.772 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.926 -8.075 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.938 -8.684 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.812 -6.704 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.814 -5.074 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.191 -5.743 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.159 -6.319 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.821 -6.428 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.246 -7.724 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.666 -8.091 -1.161 1.00 0.00 H new ATOM 619 N ILE A 41 -1.726 -10.982 0.307 1.00 0.00 N ATOM 620 CA ILE A 41 -0.785 -12.093 0.281 1.00 0.00 C ATOM 621 C ILE A 41 -1.530 -13.417 0.255 1.00 0.00 C ATOM 622 O ILE A 41 -2.365 -13.695 1.117 1.00 0.00 O ATOM 623 CB ILE A 41 0.174 -12.054 1.493 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.028 -10.784 1.457 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.060 -13.292 1.526 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.890 -10.658 0.217 1.00 0.00 C ATOM 0 H ILE A 41 -1.744 -10.468 1.188 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.188 -11.997 -0.626 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.427 -12.044 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.373 -9.915 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.670 -10.765 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.725 -13.240 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.437 -14.183 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.653 -13.340 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.465 -9.733 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.572 -11.506 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.254 -10.644 -0.668 1.00 0.00 H new ATOM 638 N GLY A 42 -1.249 -14.214 -0.766 1.00 0.00 N ATOM 639 CA GLY A 42 -1.898 -15.496 -0.902 1.00 0.00 C ATOM 640 C GLY A 42 -3.137 -15.413 -1.765 1.00 0.00 C ATOM 641 O GLY A 42 -3.795 -16.422 -2.017 1.00 0.00 O ATOM 0 H GLY A 42 -0.580 -13.992 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.200 -16.212 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.168 -15.873 0.085 1.00 0.00 H new ATOM 645 N ARG A 43 -3.457 -14.210 -2.223 1.00 0.00 N ATOM 646 CA ARG A 43 -4.620 -14.013 -3.074 1.00 0.00 C ATOM 647 C ARG A 43 -4.232 -14.033 -4.545 1.00 0.00 C ATOM 648 O ARG A 43 -3.050 -13.941 -4.891 1.00 0.00 O ATOM 649 CB ARG A 43 -5.337 -12.706 -2.742 1.00 0.00 C ATOM 650 CG ARG A 43 -5.987 -12.710 -1.368 1.00 0.00 C ATOM 651 CD ARG A 43 -7.031 -11.615 -1.244 1.00 0.00 C ATOM 652 NE ARG A 43 -8.096 -11.769 -2.236 1.00 0.00 N ATOM 653 CZ ARG A 43 -9.151 -10.959 -2.333 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.294 -9.940 -1.492 1.00 0.00 N ATOM 655 NH2 ARG A 43 -10.066 -11.173 -3.265 1.00 0.00 N ATOM 0 H ARG A 43 -2.930 -13.361 -2.020 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.304 -14.840 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.623 -11.884 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.100 -12.516 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.451 -13.679 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.223 -12.574 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.461 -11.633 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.555 -10.642 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.027 -12.545 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.595 -9.774 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.103 -9.324 -1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.964 -11.957 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.873 -10.554 -3.339 1.00 0.00 H new ATOM 669 N LYS A 44 -5.235 -14.156 -5.402 1.00 0.00 N ATOM 670 CA LYS A 44 -5.027 -14.271 -6.819 1.00 0.00 C ATOM 671 C LYS A 44 -5.058 -12.913 -7.513 1.00 0.00 C ATOM 672 O LYS A 44 -5.659 -11.957 -7.023 1.00 0.00 O ATOM 673 CB LYS A 44 -6.120 -15.154 -7.397 1.00 0.00 C ATOM 674 CG LYS A 44 -5.981 -16.631 -7.058 1.00 0.00 C ATOM 675 CD LYS A 44 -7.061 -17.455 -7.742 1.00 0.00 C ATOM 676 CE LYS A 44 -6.944 -17.380 -9.257 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.108 -18.004 -9.938 1.00 0.00 N ATOM 0 H LYS A 44 -6.216 -14.178 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.041 -14.705 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.085 -14.800 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.125 -15.042 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.998 -16.987 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.045 -16.767 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.985 -18.494 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.043 -17.097 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.862 -16.337 -9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.028 -17.879 -9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.857 -18.224 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.370 -18.881 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.912 -17.345 -9.924 1.00 0.00 H new ATOM 691 N GLY A 45 -4.407 -12.856 -8.662 1.00 0.00 N ATOM 692 CA GLY A 45 -4.447 -11.686 -9.507 1.00 0.00 C ATOM 693 C GLY A 45 -4.366 -12.093 -10.960 1.00 0.00 C ATOM 694 O GLY A 45 -4.051 -13.243 -11.257 1.00 0.00 O ATOM 0 H GLY A 45 -3.839 -13.619 -9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.367 -11.129 -9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.619 -11.021 -9.261 1.00 0.00 H new ATOM 698 N VAL A 46 -4.649 -11.176 -11.860 1.00 0.00 N ATOM 699 CA VAL A 46 -4.611 -11.472 -13.289 1.00 0.00 C ATOM 700 C VAL A 46 -3.487 -10.689 -13.968 1.00 0.00 C ATOM 701 O VAL A 46 -3.194 -9.555 -13.586 1.00 0.00 O ATOM 702 CB VAL A 46 -5.972 -11.164 -13.968 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.321 -9.687 -13.864 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.980 -11.617 -15.422 1.00 0.00 C ATOM 0 H VAL A 46 -4.909 -10.216 -11.634 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.415 -12.538 -13.402 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.736 -11.729 -13.434 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.280 -9.505 -14.349 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.386 -9.401 -12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.548 -9.095 -14.354 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.947 -11.387 -15.869 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.194 -11.097 -15.969 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.805 -12.692 -15.469 1.00 0.00 H new ATOM 714 N VAL A 47 -2.849 -11.305 -14.953 1.00 0.00 N ATOM 715 CA VAL A 47 -1.736 -10.678 -15.654 1.00 0.00 C ATOM 716 C VAL A 47 -2.235 -9.789 -16.787 1.00 0.00 C ATOM 717 O VAL A 47 -2.788 -10.273 -17.778 1.00 0.00 O ATOM 718 CB VAL A 47 -0.760 -11.729 -16.222 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.452 -11.056 -16.841 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.331 -12.709 -15.141 1.00 0.00 C ATOM 0 H VAL A 47 -3.083 -12.240 -15.286 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.205 -10.067 -14.924 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.280 -12.286 -17.001 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.128 -11.815 -17.236 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.130 -10.400 -17.650 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.969 -10.469 -16.082 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.357 -13.440 -15.565 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.166 -12.168 -14.336 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.208 -13.222 -14.746 1.00 0.00 H new ATOM 730 N MET A 48 -2.027 -8.488 -16.635 1.00 0.00 N ATOM 731 CA MET A 48 -2.469 -7.514 -17.621 1.00 0.00 C ATOM 732 C MET A 48 -1.370 -7.254 -18.646 1.00 0.00 C ATOM 733 O MET A 48 -1.644 -7.012 -19.822 1.00 0.00 O ATOM 734 CB MET A 48 -2.849 -6.202 -16.932 1.00 0.00 C ATOM 735 CG MET A 48 -3.965 -6.342 -15.907 1.00 0.00 C ATOM 736 SD MET A 48 -5.536 -6.843 -16.635 1.00 0.00 S ATOM 737 CE MET A 48 -5.858 -5.459 -17.728 1.00 0.00 C ATOM 0 H MET A 48 -1.550 -8.081 -15.830 1.00 0.00 H new ATOM 0 HA MET A 48 -3.342 -7.917 -18.134 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.967 -5.793 -16.440 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.154 -5.481 -17.690 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.670 -7.074 -15.155 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.097 -5.391 -15.391 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.919 -5.430 -17.975 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.575 -4.530 -17.232 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.275 -5.574 -18.642 1.00 0.00 H new ATOM 747 N GLU A 49 -0.126 -7.295 -18.189 1.00 0.00 N ATOM 748 CA GLU A 49 1.018 -7.069 -19.060 1.00 0.00 C ATOM 749 C GLU A 49 2.069 -8.153 -18.846 1.00 0.00 C ATOM 750 O GLU A 49 2.234 -8.643 -17.729 1.00 0.00 O ATOM 751 CB GLU A 49 1.617 -5.683 -18.800 1.00 0.00 C ATOM 752 CG GLU A 49 2.749 -5.319 -19.748 1.00 0.00 C ATOM 753 CD GLU A 49 2.341 -5.425 -21.203 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.654 -6.452 -21.838 1.00 0.00 O ATOM 755 OE2 GLU A 49 1.693 -4.488 -21.715 1.00 0.00 O ATOM 0 H GLU A 49 0.117 -7.483 -17.216 1.00 0.00 H new ATOM 0 HA GLU A 49 0.682 -7.113 -20.096 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.829 -4.935 -18.885 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.986 -5.643 -17.775 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.081 -4.302 -19.540 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.599 -5.976 -19.563 1.00 0.00 H new ATOM 763 N ALA A 50 2.775 -8.508 -19.916 1.00 0.00 N ATOM 764 CA ALA A 50 3.770 -9.573 -19.878 1.00 0.00 C ATOM 765 C ALA A 50 4.867 -9.268 -18.864 1.00 0.00 C ATOM 766 O ALA A 50 5.364 -8.141 -18.790 1.00 0.00 O ATOM 767 CB ALA A 50 4.368 -9.781 -21.262 1.00 0.00 C ATOM 0 H ALA A 50 2.673 -8.067 -20.830 1.00 0.00 H new ATOM 0 HA ALA A 50 3.273 -10.491 -19.565 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.110 -10.579 -21.222 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.579 -10.055 -21.962 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.844 -8.859 -21.595 1.00 0.00 H new ATOM 773 N ILE A 51 5.230 -10.278 -18.086 1.00 0.00 N ATOM 774 CA ILE A 51 6.206 -10.118 -17.021 1.00 0.00 C ATOM 775 C ILE A 51 7.462 -10.929 -17.314 1.00 0.00 C ATOM 776 O ILE A 51 7.386 -12.107 -17.679 1.00 0.00 O ATOM 777 CB ILE A 51 5.623 -10.560 -15.656 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.338 -9.785 -15.348 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.648 -10.363 -14.546 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.646 -10.236 -14.079 1.00 0.00 C ATOM 0 H ILE A 51 4.859 -11.224 -18.175 1.00 0.00 H new ATOM 0 HA ILE A 51 6.461 -9.059 -16.971 1.00 0.00 H new ATOM 0 HB ILE A 51 5.381 -11.621 -15.712 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.575 -8.724 -15.265 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.649 -9.893 -16.186 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.220 -10.679 -13.595 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.535 -10.959 -14.760 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.923 -9.310 -14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.744 -9.643 -13.926 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.377 -11.289 -14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.317 -10.101 -13.231 1.00 0.00 H new ATOM 792 N SER A 52 8.613 -10.293 -17.158 1.00 0.00 N ATOM 793 CA SER A 52 9.887 -10.972 -17.304 1.00 0.00 C ATOM 794 C SER A 52 10.773 -10.680 -16.096 1.00 0.00 C ATOM 795 O SER A 52 10.500 -9.747 -15.340 1.00 0.00 O ATOM 796 CB SER A 52 10.585 -10.544 -18.601 1.00 0.00 C ATOM 797 OG SER A 52 10.637 -9.132 -18.722 1.00 0.00 O ATOM 0 H SER A 52 8.689 -9.302 -16.929 1.00 0.00 H new ATOM 0 HA SER A 52 9.707 -12.046 -17.357 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.597 -10.949 -18.622 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.056 -10.964 -19.456 1.00 0.00 H new ATOM 0 HG SER A 52 10.206 -8.721 -17.944 1.00 0.00 H new ATOM 803 N PRO A 53 11.826 -11.489 -15.889 1.00 0.00 N ATOM 804 CA PRO A 53 12.775 -11.291 -14.788 1.00 0.00 C ATOM 805 C PRO A 53 13.358 -9.877 -14.765 1.00 0.00 C ATOM 806 O PRO A 53 13.482 -9.267 -13.707 1.00 0.00 O ATOM 807 CB PRO A 53 13.875 -12.316 -15.072 1.00 0.00 C ATOM 808 CG PRO A 53 13.221 -13.370 -15.896 1.00 0.00 C ATOM 809 CD PRO A 53 12.155 -12.677 -16.698 1.00 0.00 C ATOM 0 HA PRO A 53 12.297 -11.417 -13.817 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.710 -11.861 -15.605 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.275 -12.731 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.944 -13.857 -16.550 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.789 -14.146 -15.264 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.516 -12.400 -17.688 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.284 -13.316 -16.843 1.00 0.00 H new ATOM 817 N GLN A 54 13.710 -9.364 -15.939 1.00 0.00 N ATOM 818 CA GLN A 54 14.299 -8.037 -16.046 1.00 0.00 C ATOM 819 C GLN A 54 13.220 -6.962 -16.090 1.00 0.00 C ATOM 820 O GLN A 54 13.299 -5.959 -15.378 1.00 0.00 O ATOM 821 CB GLN A 54 15.185 -7.920 -17.294 1.00 0.00 C ATOM 822 CG GLN A 54 16.352 -8.898 -17.325 1.00 0.00 C ATOM 823 CD GLN A 54 16.014 -10.209 -18.009 1.00 0.00 C ATOM 824 OE1 GLN A 54 14.866 -10.661 -18.004 1.00 0.00 O ATOM 825 NE2 GLN A 54 17.016 -10.830 -18.608 1.00 0.00 N ATOM 0 H GLN A 54 13.597 -9.848 -16.830 1.00 0.00 H new ATOM 0 HA GLN A 54 14.916 -7.887 -15.160 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.569 -8.079 -18.179 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.575 -6.904 -17.355 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.193 -8.434 -17.839 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.675 -9.101 -16.304 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.951 -10.424 -18.590 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.853 -11.715 -19.088 1.00 0.00 H new ATOM 834 N ASN A 55 12.201 -7.177 -16.912 1.00 0.00 N ATOM 835 CA ASN A 55 11.160 -6.177 -17.102 1.00 0.00 C ATOM 836 C ASN A 55 9.868 -6.624 -16.442 1.00 0.00 C ATOM 837 O ASN A 55 9.171 -7.511 -16.949 1.00 0.00 O ATOM 838 CB ASN A 55 10.932 -5.913 -18.594 1.00 0.00 C ATOM 839 CG ASN A 55 9.940 -4.789 -18.848 1.00 0.00 C ATOM 840 OD1 ASN A 55 8.737 -5.014 -18.996 1.00 0.00 O ATOM 841 ND2 ASN A 55 10.445 -3.568 -18.912 1.00 0.00 N ATOM 0 H ASN A 55 12.074 -8.031 -17.455 1.00 0.00 H new ATOM 0 HA ASN A 55 11.487 -5.249 -16.633 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.884 -5.665 -19.064 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.570 -6.825 -19.069 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.833 -2.772 -19.089 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.446 -3.423 -18.784 1.00 0.00 H new ATOM 848 N SER A 56 9.569 -6.026 -15.298 1.00 0.00 N ATOM 849 CA SER A 56 8.366 -6.354 -14.557 1.00 0.00 C ATOM 850 C SER A 56 7.131 -5.916 -15.331 1.00 0.00 C ATOM 851 O SER A 56 7.172 -4.956 -16.108 1.00 0.00 O ATOM 852 CB SER A 56 8.388 -5.672 -13.193 1.00 0.00 C ATOM 853 OG SER A 56 9.637 -5.863 -12.550 1.00 0.00 O ATOM 0 H SER A 56 10.148 -5.308 -14.863 1.00 0.00 H new ATOM 0 HA SER A 56 8.330 -7.434 -14.416 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.196 -4.606 -13.312 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.589 -6.072 -12.569 1.00 0.00 H new ATOM 0 HG SER A 56 9.494 -6.283 -11.676 1.00 0.00 H new ATOM 859 N GLY A 57 6.032 -6.606 -15.096 1.00 0.00 N ATOM 860 CA GLY A 57 4.819 -6.342 -15.837 1.00 0.00 C ATOM 861 C GLY A 57 3.728 -5.766 -14.964 1.00 0.00 C ATOM 862 O GLY A 57 4.006 -5.198 -13.905 1.00 0.00 O ATOM 0 H GLY A 57 5.956 -7.349 -14.401 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.036 -5.648 -16.649 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.466 -7.267 -16.293 1.00 0.00 H new ATOM 866 N LEU A 58 2.490 -5.926 -15.398 1.00 0.00 N ATOM 867 CA LEU A 58 1.351 -5.368 -14.687 1.00 0.00 C ATOM 868 C LEU A 58 0.337 -6.450 -14.360 1.00 0.00 C ATOM 869 O LEU A 58 -0.018 -7.263 -15.217 1.00 0.00 O ATOM 870 CB LEU A 58 0.685 -4.275 -15.525 1.00 0.00 C ATOM 871 CG LEU A 58 1.521 -3.016 -15.735 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.787 -2.031 -16.631 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.863 -2.365 -14.402 1.00 0.00 C ATOM 0 H LEU A 58 2.246 -6.441 -16.244 1.00 0.00 H new ATOM 0 HA LEU A 58 1.714 -4.935 -13.755 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.432 -4.691 -16.500 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.253 -3.993 -15.046 1.00 0.00 H new ATOM 0 HG LEU A 58 2.451 -3.305 -16.224 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.399 -1.139 -16.769 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.595 -2.493 -17.599 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.160 -1.753 -16.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.459 -1.469 -14.577 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.944 -2.093 -13.883 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.431 -3.066 -13.790 1.00 0.00 H new ATOM 885 N VAL A 59 -0.127 -6.456 -13.126 1.00 0.00 N ATOM 886 CA VAL A 59 -1.146 -7.396 -12.697 1.00 0.00 C ATOM 887 C VAL A 59 -2.280 -6.654 -12.010 1.00 0.00 C ATOM 888 O VAL A 59 -2.070 -5.595 -11.422 1.00 0.00 O ATOM 889 CB VAL A 59 -0.591 -8.477 -11.739 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.400 -9.382 -12.461 1.00 0.00 C ATOM 891 CG2 VAL A 59 0.038 -7.836 -10.504 1.00 0.00 C ATOM 0 H VAL A 59 0.188 -5.816 -12.397 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.509 -7.901 -13.592 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.422 -9.097 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.777 -10.134 -11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.099 -9.875 -13.296 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.231 -8.785 -12.836 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.421 -8.615 -9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.856 -7.184 -10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.714 -7.251 -9.975 1.00 0.00 H new ATOM 901 N LYS A 60 -3.479 -7.193 -12.099 1.00 0.00 N ATOM 902 CA LYS A 60 -4.626 -6.571 -11.466 1.00 0.00 C ATOM 903 C LYS A 60 -5.092 -7.412 -10.289 1.00 0.00 C ATOM 904 O LYS A 60 -5.476 -8.570 -10.455 1.00 0.00 O ATOM 905 CB LYS A 60 -5.762 -6.386 -12.473 1.00 0.00 C ATOM 906 CG LYS A 60 -6.898 -5.517 -11.959 1.00 0.00 C ATOM 907 CD LYS A 60 -7.999 -5.365 -12.996 1.00 0.00 C ATOM 908 CE LYS A 60 -8.724 -6.678 -13.244 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.823 -6.532 -14.236 1.00 0.00 N ATOM 0 H LYS A 60 -3.685 -8.057 -12.601 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.331 -5.588 -11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.360 -5.942 -13.384 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.159 -7.364 -12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.311 -5.956 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.512 -4.534 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.713 -4.613 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.571 -5.004 -13.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.012 -7.423 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.132 -7.050 -12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.290 -7.451 -14.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.517 -5.840 -13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.432 -6.202 -15.142 1.00 0.00 H new ATOM 923 N VAL A 61 -5.040 -6.828 -9.103 1.00 0.00 N ATOM 924 CA VAL A 61 -5.456 -7.515 -7.894 1.00 0.00 C ATOM 925 C VAL A 61 -6.798 -6.965 -7.437 1.00 0.00 C ATOM 926 O VAL A 61 -6.890 -5.812 -7.005 1.00 0.00 O ATOM 927 CB VAL A 61 -4.416 -7.361 -6.760 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.828 -8.170 -5.538 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.032 -7.780 -7.241 1.00 0.00 C ATOM 0 H VAL A 61 -4.712 -5.874 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.543 -8.577 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.375 -6.310 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.083 -8.047 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.795 -7.819 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.902 -9.224 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.314 -7.664 -6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.057 -8.823 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.733 -7.153 -8.081 1.00 0.00 H new ATOM 939 N ASP A 62 -7.833 -7.793 -7.569 1.00 0.00 N ATOM 940 CA ASP A 62 -9.212 -7.404 -7.259 1.00 0.00 C ATOM 941 C ASP A 62 -9.694 -6.306 -8.205 1.00 0.00 C ATOM 942 O ASP A 62 -10.380 -6.581 -9.189 1.00 0.00 O ATOM 943 CB ASP A 62 -9.362 -6.968 -5.793 1.00 0.00 C ATOM 944 CG ASP A 62 -10.782 -6.549 -5.448 1.00 0.00 C ATOM 945 OD1 ASP A 62 -11.669 -7.425 -5.364 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.014 -5.338 -5.243 1.00 0.00 O ATOM 0 H ASP A 62 -7.741 -8.755 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.840 -8.282 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.061 -7.789 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.684 -6.138 -5.594 1.00 0.00 H new ATOM 952 N GLY A 63 -9.311 -5.072 -7.924 1.00 0.00 N ATOM 953 CA GLY A 63 -9.708 -3.963 -8.766 1.00 0.00 C ATOM 954 C GLY A 63 -8.581 -2.985 -9.024 1.00 0.00 C ATOM 955 O GLY A 63 -8.726 -2.068 -9.835 1.00 0.00 O ATOM 0 H GLY A 63 -8.730 -4.817 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.072 -4.349 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.539 -3.436 -8.296 1.00 0.00 H new ATOM 959 N GLU A 64 -7.453 -3.178 -8.354 1.00 0.00 N ATOM 960 CA GLU A 64 -6.332 -2.268 -8.490 1.00 0.00 C ATOM 961 C GLU A 64 -5.230 -2.899 -9.327 1.00 0.00 C ATOM 962 O GLU A 64 -4.948 -4.091 -9.208 1.00 0.00 O ATOM 963 CB GLU A 64 -5.789 -1.868 -7.117 1.00 0.00 C ATOM 964 CG GLU A 64 -6.786 -1.097 -6.268 1.00 0.00 C ATOM 965 CD GLU A 64 -6.164 -0.514 -5.017 1.00 0.00 C ATOM 966 OE1 GLU A 64 -6.113 -1.216 -3.986 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.732 0.660 -5.054 1.00 0.00 O ATOM 0 H GLU A 64 -7.293 -3.955 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.685 -1.370 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.486 -2.767 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.894 -1.261 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.217 -0.292 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.605 -1.759 -5.987 1.00 0.00 H new ATOM 975 N THR A 65 -4.620 -2.101 -10.185 1.00 0.00 N ATOM 976 CA THR A 65 -3.551 -2.584 -11.037 1.00 0.00 C ATOM 977 C THR A 65 -2.192 -2.238 -10.437 1.00 0.00 C ATOM 978 O THR A 65 -1.895 -1.071 -10.172 1.00 0.00 O ATOM 979 CB THR A 65 -3.660 -1.984 -12.448 1.00 0.00 C ATOM 980 OG1 THR A 65 -5.011 -2.103 -12.915 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.722 -2.686 -13.421 1.00 0.00 C ATOM 0 H THR A 65 -4.848 -1.115 -10.309 1.00 0.00 H new ATOM 0 HA THR A 65 -3.645 -3.668 -11.109 1.00 0.00 H new ATOM 0 HB THR A 65 -3.373 -0.934 -12.396 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.081 -1.719 -13.814 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.823 -2.239 -14.410 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.693 -2.578 -13.077 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.978 -3.744 -13.474 1.00 0.00 H new ATOM 989 N TRP A 66 -1.382 -3.259 -10.222 1.00 0.00 N ATOM 990 CA TRP A 66 -0.070 -3.098 -9.617 1.00 0.00 C ATOM 991 C TRP A 66 0.997 -3.657 -10.544 1.00 0.00 C ATOM 992 O TRP A 66 0.686 -4.373 -11.497 1.00 0.00 O ATOM 993 CB TRP A 66 -0.008 -3.826 -8.270 1.00 0.00 C ATOM 994 CG TRP A 66 -1.021 -3.355 -7.270 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.245 -3.907 -7.023 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.896 -2.242 -6.377 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.889 -3.205 -6.033 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.083 -2.176 -5.623 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.102 -1.290 -6.144 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.297 -1.204 -4.651 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 -0.112 -0.324 -5.179 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.303 -0.286 -4.445 1.00 0.00 C ATOM 0 H TRP A 66 -1.614 -4.223 -10.461 1.00 0.00 H new ATOM 0 HA TRP A 66 0.108 -2.035 -9.453 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.150 -4.893 -8.440 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.989 -3.701 -7.847 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.648 -4.770 -7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.816 -3.416 -5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.023 -1.309 -6.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.213 -1.175 -4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.653 0.414 -4.988 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.441 0.484 -3.700 1.00 0.00 H new ATOM 1013 N ARG A 67 2.248 -3.328 -10.272 1.00 0.00 N ATOM 1014 CA ARG A 67 3.354 -3.865 -11.040 1.00 0.00 C ATOM 1015 C ARG A 67 3.819 -5.147 -10.379 1.00 0.00 C ATOM 1016 O ARG A 67 3.690 -5.301 -9.166 1.00 0.00 O ATOM 1017 CB ARG A 67 4.524 -2.880 -11.122 1.00 0.00 C ATOM 1018 CG ARG A 67 4.116 -1.432 -11.321 1.00 0.00 C ATOM 1019 CD ARG A 67 3.751 -0.788 -9.995 1.00 0.00 C ATOM 1020 NE ARG A 67 3.313 0.597 -10.144 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.958 1.382 -9.124 1.00 0.00 C ATOM 1022 NH1 ARG A 67 3.039 0.936 -7.873 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.535 2.618 -9.354 1.00 0.00 N ATOM 0 H ARG A 67 2.522 -2.691 -9.524 1.00 0.00 H new ATOM 0 HA ARG A 67 3.011 -4.052 -12.058 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.111 -2.956 -10.207 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.175 -3.177 -11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.933 -0.880 -11.786 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.267 -1.379 -12.002 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.958 -1.367 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.613 -0.823 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 67 3.276 0.989 -11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.374 -0.010 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.766 1.540 -7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.481 2.969 -10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.264 3.218 -8.575 1.00 0.00 H new ATOM 1037 N ALA A 68 4.377 -6.049 -11.155 1.00 0.00 N ATOM 1038 CA ALA A 68 4.745 -7.355 -10.635 1.00 0.00 C ATOM 1039 C ALA A 68 5.988 -7.903 -11.313 1.00 0.00 C ATOM 1040 O ALA A 68 6.167 -7.746 -12.521 1.00 0.00 O ATOM 1041 CB ALA A 68 3.591 -8.331 -10.793 1.00 0.00 C ATOM 0 H ALA A 68 4.587 -5.908 -12.143 1.00 0.00 H new ATOM 0 HA ALA A 68 4.971 -7.233 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.882 -9.305 -10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.724 -7.962 -10.245 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.338 -8.428 -11.849 1.00 0.00 H new ATOM 1047 N THR A 69 6.833 -8.542 -10.523 1.00 0.00 N ATOM 1048 CA THR A 69 8.048 -9.164 -11.020 1.00 0.00 C ATOM 1049 C THR A 69 8.005 -10.661 -10.723 1.00 0.00 C ATOM 1050 O THR A 69 7.194 -11.114 -9.907 1.00 0.00 O ATOM 1051 CB THR A 69 9.296 -8.551 -10.354 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.089 -7.152 -10.120 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.533 -8.733 -11.222 1.00 0.00 C ATOM 0 H THR A 69 6.696 -8.644 -9.517 1.00 0.00 H new ATOM 0 HA THR A 69 8.109 -8.992 -12.095 1.00 0.00 H new ATOM 0 HB THR A 69 9.455 -9.068 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.877 -7.006 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.395 -8.290 -10.724 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.713 -9.796 -11.381 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.378 -8.243 -12.183 1.00 0.00 H new ATOM 1061 N SER A 70 8.869 -11.419 -11.377 1.00 0.00 N ATOM 1062 CA SER A 70 8.924 -12.855 -11.178 1.00 0.00 C ATOM 1063 C SER A 70 10.211 -13.407 -11.782 1.00 0.00 C ATOM 1064 O SER A 70 10.934 -12.689 -12.475 1.00 0.00 O ATOM 1065 CB SER A 70 7.701 -13.528 -11.817 1.00 0.00 C ATOM 1066 OG SER A 70 7.549 -14.863 -11.363 1.00 0.00 O ATOM 0 H SER A 70 9.544 -11.061 -12.053 1.00 0.00 H new ATOM 0 HA SER A 70 8.913 -13.068 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.804 -12.957 -11.579 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.805 -13.521 -12.902 1.00 0.00 H new ATOM 0 HG SER A 70 6.873 -14.892 -10.654 1.00 0.00 H new ATOM 1072 N GLY A 71 10.495 -14.673 -11.506 1.00 0.00 N ATOM 1073 CA GLY A 71 11.661 -15.316 -12.078 1.00 0.00 C ATOM 1074 C GLY A 71 11.317 -16.057 -13.350 1.00 0.00 C ATOM 1075 O GLY A 71 12.197 -16.443 -14.116 1.00 0.00 O ATOM 0 H GLY A 71 9.936 -15.268 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.425 -14.567 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.086 -16.011 -11.354 1.00 0.00 H new ATOM 1079 N THR A 72 10.027 -16.259 -13.567 1.00 0.00 N ATOM 1080 CA THR A 72 9.546 -16.939 -14.752 1.00 0.00 C ATOM 1081 C THR A 72 8.883 -15.933 -15.692 1.00 0.00 C ATOM 1082 O THR A 72 8.611 -14.795 -15.304 1.00 0.00 O ATOM 1083 CB THR A 72 8.531 -18.037 -14.377 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.862 -18.591 -13.096 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.523 -19.155 -15.407 1.00 0.00 C ATOM 0 H THR A 72 9.291 -15.957 -12.929 1.00 0.00 H new ATOM 0 HA THR A 72 10.396 -17.404 -15.251 1.00 0.00 H new ATOM 0 HB THR A 72 7.542 -17.579 -14.346 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.212 -19.287 -12.863 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.797 -19.914 -15.115 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.251 -18.750 -16.382 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.515 -19.604 -15.464 1.00 0.00 H new ATOM 1093 N VAL A 73 8.624 -16.351 -16.922 1.00 0.00 N ATOM 1094 CA VAL A 73 7.992 -15.484 -17.903 1.00 0.00 C ATOM 1095 C VAL A 73 6.479 -15.655 -17.859 1.00 0.00 C ATOM 1096 O VAL A 73 5.957 -16.726 -18.175 1.00 0.00 O ATOM 1097 CB VAL A 73 8.504 -15.769 -19.332 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.874 -14.814 -20.333 1.00 0.00 C ATOM 1099 CG2 VAL A 73 10.024 -15.674 -19.384 1.00 0.00 C ATOM 0 H VAL A 73 8.842 -17.287 -17.264 1.00 0.00 H new ATOM 0 HA VAL A 73 8.253 -14.457 -17.648 1.00 0.00 H new ATOM 0 HB VAL A 73 8.212 -16.784 -19.602 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.250 -15.034 -21.332 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.791 -14.934 -20.318 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.129 -13.788 -20.067 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.367 -15.878 -20.398 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.336 -14.672 -19.090 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.458 -16.404 -18.701 1.00 0.00 H new ATOM 1109 N LEU A 74 5.787 -14.604 -17.450 1.00 0.00 N ATOM 1110 CA LEU A 74 4.339 -14.641 -17.328 1.00 0.00 C ATOM 1111 C LEU A 74 3.690 -13.938 -18.512 1.00 0.00 C ATOM 1112 O LEU A 74 4.076 -12.820 -18.866 1.00 0.00 O ATOM 1113 CB LEU A 74 3.901 -13.984 -16.017 1.00 0.00 C ATOM 1114 CG LEU A 74 4.497 -14.611 -14.752 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.075 -13.831 -13.518 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.078 -16.068 -14.628 1.00 0.00 C ATOM 0 H LEU A 74 6.208 -13.710 -17.196 1.00 0.00 H new ATOM 0 HA LEU A 74 4.017 -15.682 -17.322 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.175 -12.929 -16.046 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.814 -14.029 -15.950 1.00 0.00 H new ATOM 0 HG LEU A 74 5.583 -14.570 -14.831 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.508 -14.292 -12.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.425 -12.802 -13.600 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.988 -13.839 -13.437 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.511 -16.495 -13.724 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.991 -16.131 -14.574 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.431 -16.623 -15.497 1.00 0.00 H new ATOM 1128 N ASP A 75 2.708 -14.593 -19.122 1.00 0.00 N ATOM 1129 CA ASP A 75 2.058 -14.057 -20.311 1.00 0.00 C ATOM 1130 C ASP A 75 0.735 -13.402 -19.943 1.00 0.00 C ATOM 1131 O ASP A 75 0.253 -13.538 -18.819 1.00 0.00 O ATOM 1132 CB ASP A 75 1.828 -15.166 -21.343 1.00 0.00 C ATOM 1133 CG ASP A 75 1.662 -14.643 -22.757 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.515 -14.417 -23.187 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.684 -14.465 -23.450 1.00 0.00 O ATOM 0 H ASP A 75 2.345 -15.495 -18.813 1.00 0.00 H new ATOM 0 HA ASP A 75 2.712 -13.303 -20.749 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.669 -15.859 -21.315 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.939 -15.733 -21.066 1.00 0.00 H new ATOM 1141 N VAL A 76 0.147 -12.722 -20.905 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.062 -11.938 -20.671 1.00 0.00 C ATOM 1143 C VAL A 76 -2.301 -12.828 -20.689 1.00 0.00 C ATOM 1144 O VAL A 76 -2.478 -13.651 -21.590 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.214 -10.814 -21.722 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.469 -9.990 -21.467 1.00 0.00 C ATOM 1147 CG2 VAL A 76 0.019 -9.921 -21.727 1.00 0.00 C ATOM 0 H VAL A 76 0.485 -12.693 -21.867 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.967 -11.483 -19.685 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.312 -11.280 -22.703 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.550 -9.207 -22.221 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.345 -10.636 -21.519 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.411 -9.536 -20.478 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.104 -9.135 -22.472 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.146 -9.471 -20.742 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.899 -10.517 -21.970 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.150 -12.667 -19.682 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.360 -13.458 -19.599 1.00 0.00 C ATOM 1159 C GLY A 77 -4.279 -14.519 -18.523 1.00 0.00 C ATOM 1160 O GLY A 77 -5.288 -15.121 -18.154 1.00 0.00 O ATOM 0 H GLY A 77 -3.021 -12.001 -18.920 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.207 -12.802 -19.397 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.548 -13.933 -20.562 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.072 -14.753 -18.025 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.853 -15.713 -16.964 1.00 0.00 C ATOM 1166 C GLU A 78 -3.268 -15.160 -15.614 1.00 0.00 C ATOM 1167 O GLU A 78 -3.549 -13.968 -15.466 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.384 -16.091 -16.918 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.998 -17.146 -17.930 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.674 -18.476 -17.670 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -2.208 -19.073 -18.625 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.659 -18.936 -16.508 1.00 0.00 O ATOM 0 H GLU A 78 -2.225 -14.283 -18.346 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.465 -16.590 -17.175 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.782 -15.198 -17.089 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.142 -16.452 -15.919 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.260 -16.799 -18.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.083 -17.283 -17.913 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.284 -16.038 -14.630 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.572 -15.651 -13.262 1.00 0.00 C ATOM 1182 C GLU A 79 -2.366 -15.942 -12.387 1.00 0.00 C ATOM 1183 O GLU A 79 -1.680 -16.950 -12.572 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.798 -16.387 -12.721 1.00 0.00 C ATOM 1185 CG GLU A 79 -6.082 -16.072 -13.464 1.00 0.00 C ATOM 1186 CD GLU A 79 -7.309 -16.493 -12.685 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.608 -17.704 -12.643 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.976 -15.618 -12.095 1.00 0.00 O ATOM 0 H GLU A 79 -3.099 -17.033 -14.754 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.789 -14.583 -13.247 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.616 -17.461 -12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.927 -16.133 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.131 -15.002 -13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.075 -16.578 -14.429 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.100 -15.060 -11.445 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.951 -15.216 -10.575 1.00 0.00 C ATOM 1198 C VAL A 80 -1.360 -15.209 -9.115 1.00 0.00 C ATOM 1199 O VAL A 80 -2.451 -14.768 -8.766 1.00 0.00 O ATOM 1200 CB VAL A 80 0.098 -14.109 -10.809 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.722 -14.242 -12.188 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.520 -12.729 -10.636 1.00 0.00 C ATOM 0 H VAL A 80 -2.662 -14.229 -11.262 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.506 -16.180 -10.820 1.00 0.00 H new ATOM 0 HB VAL A 80 0.883 -14.227 -10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.459 -13.452 -12.332 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.210 -15.213 -12.274 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.054 -14.157 -12.948 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.240 -11.966 -10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.330 -12.601 -11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.913 -12.630 -9.624 1.00 0.00 H new ATOM 1212 N SER A 81 -0.490 -15.733 -8.277 1.00 0.00 N ATOM 1213 CA SER A 81 -0.681 -15.675 -6.840 1.00 0.00 C ATOM 1214 C SER A 81 0.366 -14.754 -6.229 1.00 0.00 C ATOM 1215 O SER A 81 1.562 -14.909 -6.493 1.00 0.00 O ATOM 1216 CB SER A 81 -0.576 -17.074 -6.238 1.00 0.00 C ATOM 1217 OG SER A 81 -1.457 -17.969 -6.893 1.00 0.00 O ATOM 0 H SER A 81 0.364 -16.208 -8.568 1.00 0.00 H new ATOM 0 HA SER A 81 -1.674 -15.282 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.448 -17.436 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.812 -17.036 -5.175 1.00 0.00 H new ATOM 0 HG SER A 81 -1.374 -18.860 -6.494 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.083 -13.788 -5.439 1.00 0.00 N ATOM 1224 CA VAL A 82 0.820 -12.830 -4.818 1.00 0.00 C ATOM 1225 C VAL A 82 1.583 -13.483 -3.675 1.00 0.00 C ATOM 1226 O VAL A 82 1.003 -13.842 -2.646 1.00 0.00 O ATOM 1227 CB VAL A 82 0.065 -11.586 -4.290 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.036 -10.556 -3.733 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.799 -10.971 -5.385 1.00 0.00 C ATOM 0 H VAL A 82 -1.068 -13.647 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 82 1.520 -12.502 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.589 -11.910 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.480 -9.692 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.602 -10.996 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.722 -10.241 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.320 -10.099 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.167 -10.670 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.529 -11.705 -5.728 1.00 0.00 H new ATOM 1239 N LYS A 83 2.884 -13.644 -3.872 1.00 0.00 N ATOM 1240 CA LYS A 83 3.739 -14.268 -2.890 1.00 0.00 C ATOM 1241 C LYS A 83 4.210 -13.259 -1.855 1.00 0.00 C ATOM 1242 O LYS A 83 4.071 -13.484 -0.652 1.00 0.00 O ATOM 1243 CB LYS A 83 4.939 -14.912 -3.581 1.00 0.00 C ATOM 1244 CG LYS A 83 4.648 -16.269 -4.176 1.00 0.00 C ATOM 1245 CD LYS A 83 4.358 -17.250 -3.073 1.00 0.00 C ATOM 1246 CE LYS A 83 4.046 -18.637 -3.606 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.811 -19.605 -2.504 1.00 0.00 N ATOM 0 H LYS A 83 3.369 -13.344 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 83 3.164 -15.037 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.290 -14.248 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.751 -15.009 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.797 -16.206 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.499 -16.610 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.216 -17.305 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.515 -16.891 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.165 -18.592 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.873 -18.984 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.601 -20.542 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.661 -19.666 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.006 -19.286 -1.928 1.00 0.00 H new ATOM 1261 N ALA A 84 4.753 -12.145 -2.327 1.00 0.00 N ATOM 1262 CA ALA A 84 5.319 -11.142 -1.437 1.00 0.00 C ATOM 1263 C ALA A 84 5.296 -9.760 -2.072 1.00 0.00 C ATOM 1264 O ALA A 84 5.031 -9.614 -3.265 1.00 0.00 O ATOM 1265 CB ALA A 84 6.741 -11.524 -1.056 1.00 0.00 C ATOM 0 H ALA A 84 4.813 -11.914 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 84 4.705 -11.105 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.155 -10.767 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.735 -12.489 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.353 -11.590 -1.955 1.00 0.00 H new ATOM 1271 N ILE A 85 5.569 -8.750 -1.263 1.00 0.00 N ATOM 1272 CA ILE A 85 5.614 -7.377 -1.731 1.00 0.00 C ATOM 1273 C ILE A 85 7.061 -6.892 -1.722 1.00 0.00 C ATOM 1274 O ILE A 85 7.731 -6.983 -0.696 1.00 0.00 O ATOM 1275 CB ILE A 85 4.771 -6.451 -0.822 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.435 -7.107 -0.445 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.532 -5.110 -1.496 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.536 -7.413 -1.624 1.00 0.00 C ATOM 0 H ILE A 85 5.765 -8.859 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 85 5.204 -7.344 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 85 5.335 -6.284 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.638 -8.033 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.902 -6.450 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.937 -4.474 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.489 -4.629 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.998 -5.264 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.615 -7.874 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.299 -6.488 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.046 -8.097 -2.303 1.00 0.00 H new ATOM 1290 N GLU A 86 7.549 -6.389 -2.852 1.00 0.00 N ATOM 1291 CA GLU A 86 8.933 -5.946 -2.932 1.00 0.00 C ATOM 1292 C GLU A 86 9.026 -4.438 -2.749 1.00 0.00 C ATOM 1293 O GLU A 86 10.094 -3.841 -2.893 1.00 0.00 O ATOM 1294 CB GLU A 86 9.552 -6.347 -4.269 1.00 0.00 C ATOM 1295 CG GLU A 86 8.838 -5.765 -5.477 1.00 0.00 C ATOM 1296 CD GLU A 86 9.653 -5.871 -6.747 1.00 0.00 C ATOM 1297 OE1 GLU A 86 10.483 -4.971 -6.994 1.00 0.00 O ATOM 1298 OE2 GLU A 86 9.463 -6.839 -7.509 1.00 0.00 O ATOM 0 H GLU A 86 7.013 -6.280 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 86 9.488 -6.432 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.594 -6.027 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.551 -7.434 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.888 -6.282 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.606 -4.717 -5.286 1.00 0.00 H new ATOM 1306 N GLY A 87 7.901 -3.834 -2.425 1.00 0.00 N ATOM 1307 CA GLY A 87 7.849 -2.401 -2.253 1.00 0.00 C ATOM 1308 C GLY A 87 6.841 -1.761 -3.175 1.00 0.00 C ATOM 1309 O GLY A 87 5.637 -1.813 -2.928 1.00 0.00 O ATOM 0 H GLY A 87 7.013 -4.314 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.595 -2.168 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.835 -1.976 -2.442 1.00 0.00 H new ATOM 1313 N VAL A 88 7.334 -1.160 -4.239 1.00 0.00 N ATOM 1314 CA VAL A 88 6.476 -0.513 -5.222 1.00 0.00 C ATOM 1315 C VAL A 88 5.870 -1.534 -6.187 1.00 0.00 C ATOM 1316 O VAL A 88 4.891 -1.252 -6.885 1.00 0.00 O ATOM 1317 CB VAL A 88 7.251 0.574 -6.004 1.00 0.00 C ATOM 1318 CG1 VAL A 88 8.339 -0.045 -6.868 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.311 1.425 -6.843 1.00 0.00 C ATOM 0 H VAL A 88 8.330 -1.104 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 88 5.661 -0.033 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 88 7.730 1.227 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.868 0.742 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.042 -0.587 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.888 -0.734 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.885 2.180 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.786 0.791 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.586 1.915 -6.193 1.00 0.00 H new ATOM 1329 N LYS A 89 6.439 -2.729 -6.205 1.00 0.00 N ATOM 1330 CA LYS A 89 5.970 -3.784 -7.084 1.00 0.00 C ATOM 1331 C LYS A 89 5.631 -5.029 -6.272 1.00 0.00 C ATOM 1332 O LYS A 89 5.812 -5.049 -5.053 1.00 0.00 O ATOM 1333 CB LYS A 89 7.024 -4.110 -8.148 1.00 0.00 C ATOM 1334 CG LYS A 89 7.480 -2.902 -8.955 1.00 0.00 C ATOM 1335 CD LYS A 89 8.221 -3.303 -10.225 1.00 0.00 C ATOM 1336 CE LYS A 89 9.494 -4.094 -9.950 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.475 -3.339 -9.132 1.00 0.00 N ATOM 0 H LYS A 89 7.230 -2.992 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 89 5.069 -3.439 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.891 -4.558 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.619 -4.858 -8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.614 -2.295 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.129 -2.280 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.558 -3.899 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.473 -2.406 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.237 -5.021 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.955 -4.372 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.433 -3.499 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.253 -2.324 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.427 -3.664 -8.145 1.00 0.00 H new ATOM 1351 N LEU A 90 5.153 -6.063 -6.947 1.00 0.00 N ATOM 1352 CA LEU A 90 4.746 -7.290 -6.276 1.00 0.00 C ATOM 1353 C LEU A 90 5.550 -8.477 -6.790 1.00 0.00 C ATOM 1354 O LEU A 90 5.983 -8.495 -7.941 1.00 0.00 O ATOM 1355 CB LEU A 90 3.255 -7.557 -6.504 1.00 0.00 C ATOM 1356 CG LEU A 90 2.310 -6.397 -6.180 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.865 -6.813 -6.399 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.511 -5.913 -4.756 1.00 0.00 C ATOM 0 H LEU A 90 5.037 -6.078 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 90 4.933 -7.165 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.111 -7.836 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.963 -8.417 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 90 2.543 -5.573 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.206 -5.977 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.724 -7.105 -7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.627 -7.656 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.828 -5.089 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.312 -6.730 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.539 -5.572 -4.629 1.00 0.00 H new ATOM 1370 N VAL A 91 5.747 -9.464 -5.930 1.00 0.00 N ATOM 1371 CA VAL A 91 6.378 -10.711 -6.329 1.00 0.00 C ATOM 1372 C VAL A 91 5.305 -11.778 -6.496 1.00 0.00 C ATOM 1373 O VAL A 91 4.697 -12.213 -5.517 1.00 0.00 O ATOM 1374 CB VAL A 91 7.419 -11.185 -5.291 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.104 -12.464 -5.758 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.445 -10.094 -5.023 1.00 0.00 C ATOM 0 H VAL A 91 5.477 -9.424 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 91 6.901 -10.543 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 91 6.896 -11.400 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.833 -12.780 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.359 -13.248 -5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.611 -12.280 -6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.169 -10.448 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.961 -9.844 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.941 -9.208 -4.637 1.00 0.00 H new ATOM 1386 N VAL A 92 5.053 -12.174 -7.734 1.00 0.00 N ATOM 1387 CA VAL A 92 3.970 -13.104 -8.024 1.00 0.00 C ATOM 1388 C VAL A 92 4.473 -14.319 -8.792 1.00 0.00 C ATOM 1389 O VAL A 92 5.540 -14.287 -9.410 1.00 0.00 O ATOM 1390 CB VAL A 92 2.842 -12.426 -8.836 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.221 -11.282 -8.048 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.364 -11.931 -10.178 1.00 0.00 C ATOM 0 H VAL A 92 5.580 -11.868 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 92 3.571 -13.427 -7.062 1.00 0.00 H new ATOM 0 HB VAL A 92 2.068 -13.170 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.430 -10.820 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.802 -11.666 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.986 -10.539 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.553 -11.458 -10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.162 -11.207 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.751 -12.774 -10.751 1.00 0.00 H new ATOM 1402 N GLU A 93 3.697 -15.390 -8.740 1.00 0.00 N ATOM 1403 CA GLU A 93 4.005 -16.600 -9.491 1.00 0.00 C ATOM 1404 C GLU A 93 2.771 -17.080 -10.239 1.00 0.00 C ATOM 1405 O GLU A 93 1.652 -16.684 -9.917 1.00 0.00 O ATOM 1406 CB GLU A 93 4.516 -17.714 -8.572 1.00 0.00 C ATOM 1407 CG GLU A 93 5.839 -17.397 -7.889 1.00 0.00 C ATOM 1408 CD GLU A 93 6.386 -18.575 -7.108 1.00 0.00 C ATOM 1409 OE1 GLU A 93 6.804 -19.568 -7.739 1.00 0.00 O ATOM 1410 OE2 GLU A 93 6.422 -18.510 -5.864 1.00 0.00 O ATOM 0 H GLU A 93 2.845 -15.447 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 93 4.793 -16.357 -10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.764 -17.914 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.630 -18.628 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.568 -17.093 -8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.703 -16.551 -7.216 1.00 0.00 H new ATOM 1418 N LYS A 94 2.984 -17.940 -11.224 1.00 0.00 N ATOM 1419 CA LYS A 94 1.901 -18.431 -12.065 1.00 0.00 C ATOM 1420 C LYS A 94 1.006 -19.373 -11.278 1.00 0.00 C ATOM 1421 O LYS A 94 1.489 -20.289 -10.610 1.00 0.00 O ATOM 1422 CB LYS A 94 2.467 -19.166 -13.283 1.00 0.00 C ATOM 1423 CG LYS A 94 1.438 -19.501 -14.359 1.00 0.00 C ATOM 1424 CD LYS A 94 2.029 -20.441 -15.405 1.00 0.00 C ATOM 1425 CE LYS A 94 1.139 -20.588 -16.633 1.00 0.00 C ATOM 1426 NZ LYS A 94 -0.210 -21.119 -16.300 1.00 0.00 N ATOM 0 H LYS A 94 3.903 -18.314 -11.462 1.00 0.00 H new ATOM 0 HA LYS A 94 1.314 -17.576 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.252 -18.554 -13.728 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.936 -20.091 -12.947 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.564 -19.964 -13.900 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.097 -18.584 -14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.006 -20.068 -15.712 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.188 -21.422 -14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.034 -19.618 -17.120 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.621 -21.253 -17.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.599 -21.620 -17.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.136 -21.777 -15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.840 -20.332 -16.045 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.293 -19.143 -11.359 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.254 -20.017 -10.717 1.00 0.00 C ATOM 1442 C LEU A 95 -1.206 -21.377 -11.394 1.00 0.00 C ATOM 1443 O LEU A 95 -1.177 -21.474 -12.624 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.654 -19.397 -10.797 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.743 -20.013 -9.908 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -4.313 -21.284 -10.522 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -3.207 -20.289 -8.508 1.00 0.00 C ATOM 0 H LEU A 95 -0.705 -18.358 -11.863 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.009 -20.143 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.571 -18.340 -10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.990 -19.453 -11.832 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.553 -19.288 -9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.081 -21.693 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.751 -21.054 -11.493 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.516 -22.017 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.996 -20.725 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.369 -20.984 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.872 -19.355 -8.056 1.00 0.00 H new