USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 546 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 43 SER OG : rot 48:sc= 0.691 USER MOD Single : A 44 MET CE :methyl 158:sc= -0.181 (180deg=-0.764) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0242 (180deg=-0.247) USER MOD Single : A 60 ASN : amide:sc= -0.905 K(o=-0.91,f=-0.069) USER MOD Single : A 64 LYS NZ :NH3+ -122:sc= -0.865 (180deg=-2.02!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 69 SER OG : rot 180:sc= -0.01 USER MOD Single : A 72 MET CE :methyl -142:sc= -0.775 (180deg=-1.67) USER MOD Single : B 43 SER OG : rot 42:sc= 0.909 USER MOD Single : B 44 MET CE :methyl 161:sc= -0.121 (180deg=-0.586) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 LYS NZ :NH3+ 165:sc= -0.0529 (180deg=-0.269) USER MOD Single : B 60 ASN : amide:sc= -0.811 K(o=-0.81,f=-0.068) USER MOD Single : B 64 LYS NZ :NH3+ -128:sc= -1.2 (180deg=-2.65!) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.61 USER MOD Single : B 69 SER OG : rot 180:sc= -0.0312 USER MOD Single : B 72 MET CE :methyl -137:sc= -0.77 (180deg=-2.53) USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 12.949 -5.873 7.859 1.00 0.00 N ATOM 582 CA SER A 43 12.030 -6.816 7.229 1.00 0.00 C ATOM 583 C SER A 43 10.969 -7.274 8.221 1.00 0.00 C ATOM 584 O SER A 43 11.245 -7.427 9.411 1.00 0.00 O ATOM 585 CB SER A 43 12.799 -8.025 6.691 1.00 0.00 C ATOM 586 OG SER A 43 11.926 -8.951 6.070 1.00 0.00 O ATOM 0 HA SER A 43 11.536 -6.311 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.550 -7.692 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.331 -8.514 7.507 1.00 0.00 H new ATOM 0 HG SER A 43 11.324 -8.475 5.461 1.00 0.00 H new ATOM 592 N MET A 44 9.753 -7.492 7.725 1.00 0.00 N ATOM 593 CA MET A 44 8.654 -7.921 8.582 1.00 0.00 C ATOM 594 C MET A 44 7.621 -8.721 7.795 1.00 0.00 C ATOM 595 O MET A 44 7.155 -8.289 6.742 1.00 0.00 O ATOM 596 CB MET A 44 7.986 -6.705 9.227 1.00 0.00 C ATOM 597 CG MET A 44 6.877 -7.065 10.204 1.00 0.00 C ATOM 598 SD MET A 44 6.089 -5.612 10.928 1.00 0.00 S ATOM 599 CE MET A 44 5.412 -4.828 9.467 1.00 0.00 C ATOM 0 H MET A 44 9.506 -7.379 6.742 1.00 0.00 H new ATOM 0 HA MET A 44 9.065 -8.565 9.360 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.743 -6.120 9.749 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.576 -6.068 8.443 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.125 -7.663 9.689 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.287 -7.686 11.001 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.594 -4.167 9.755 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.190 -4.248 8.972 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.039 -5.591 8.784 1.00 0.00 H new ATOM 609 N GLU A 45 7.269 -9.891 8.319 1.00 0.00 N ATOM 610 CA GLU A 45 6.283 -10.752 7.679 1.00 0.00 C ATOM 611 C GLU A 45 4.894 -10.129 7.757 1.00 0.00 C ATOM 612 O GLU A 45 4.577 -9.415 8.709 1.00 0.00 O ATOM 613 CB GLU A 45 6.274 -12.131 8.342 1.00 0.00 C ATOM 614 CG GLU A 45 6.044 -12.082 9.845 1.00 0.00 C ATOM 615 CD GLU A 45 6.057 -13.458 10.482 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.155 -13.940 10.830 1.00 0.00 O ATOM 617 OE2 GLU A 45 4.969 -14.052 10.635 1.00 0.00 O ATOM 0 H GLU A 45 7.653 -10.264 9.187 1.00 0.00 H new ATOM 0 HA GLU A 45 6.556 -10.864 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.495 -12.740 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.225 -12.626 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.815 -11.465 10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.087 -11.601 10.047 1.00 0.00 H new ATOM 624 N VAL A 46 4.069 -10.398 6.751 1.00 0.00 N ATOM 625 CA VAL A 46 2.714 -9.861 6.711 1.00 0.00 C ATOM 626 C VAL A 46 1.684 -10.979 6.561 1.00 0.00 C ATOM 627 O VAL A 46 1.936 -11.975 5.882 1.00 0.00 O ATOM 628 CB VAL A 46 2.544 -8.852 5.558 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.508 -7.688 5.722 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.745 -9.530 4.212 1.00 0.00 C ATOM 0 H VAL A 46 4.315 -10.984 5.953 1.00 0.00 H new ATOM 0 HA VAL A 46 2.547 -9.346 7.657 1.00 0.00 H new ATOM 0 HB VAL A 46 1.526 -8.463 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.374 -6.986 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.310 -7.182 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.532 -8.061 5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.620 -8.798 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.749 -9.952 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.010 -10.326 4.092 1.00 0.00 H new ATOM 640 N PRO A 47 0.507 -10.831 7.197 1.00 0.00 N ATOM 641 CA PRO A 47 -0.558 -11.816 7.139 1.00 0.00 C ATOM 642 C PRO A 47 -1.669 -11.414 6.173 1.00 0.00 C ATOM 643 O PRO A 47 -1.966 -10.230 6.011 1.00 0.00 O ATOM 644 CB PRO A 47 -1.069 -11.780 8.574 1.00 0.00 C ATOM 645 CG PRO A 47 -0.903 -10.349 9.001 1.00 0.00 C ATOM 646 CD PRO A 47 0.126 -9.721 8.081 1.00 0.00 C ATOM 0 HA PRO A 47 -0.225 -12.792 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.112 -12.092 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.499 -12.453 9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.852 -9.816 8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.575 -10.293 10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.292 -8.885 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.981 -9.337 8.636 1.00 0.00 H new ATOM 654 N ALA A 48 -2.279 -12.406 5.531 1.00 0.00 N ATOM 655 CA ALA A 48 -3.360 -12.147 4.584 1.00 0.00 C ATOM 656 C ALA A 48 -4.516 -11.409 5.260 1.00 0.00 C ATOM 657 O ALA A 48 -4.803 -11.640 6.435 1.00 0.00 O ATOM 658 CB ALA A 48 -3.848 -13.450 3.968 1.00 0.00 C ATOM 0 H ALA A 48 -2.045 -13.392 5.648 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.971 -11.509 3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.654 -13.241 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.025 -13.935 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.215 -14.109 4.755 1.00 0.00 H new ATOM 664 N PRO A 49 -5.197 -10.507 4.526 1.00 0.00 N ATOM 665 CA PRO A 49 -6.319 -9.734 5.071 1.00 0.00 C ATOM 666 C PRO A 49 -7.538 -10.604 5.367 1.00 0.00 C ATOM 667 O PRO A 49 -8.097 -10.551 6.462 1.00 0.00 O ATOM 668 CB PRO A 49 -6.637 -8.729 3.962 1.00 0.00 C ATOM 669 CG PRO A 49 -6.133 -9.364 2.713 1.00 0.00 C ATOM 670 CD PRO A 49 -4.931 -10.172 3.113 1.00 0.00 C ATOM 0 HA PRO A 49 -6.064 -9.270 6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.708 -8.533 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.148 -7.772 4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.897 -9.998 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.867 -8.610 1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.827 -11.068 2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.009 -9.602 3.002 1.00 0.00 H new ATOM 678 N PHE A 50 -7.944 -11.402 4.385 1.00 0.00 N ATOM 679 CA PHE A 50 -9.098 -12.280 4.543 1.00 0.00 C ATOM 680 C PHE A 50 -8.909 -13.573 3.761 1.00 0.00 C ATOM 681 O PHE A 50 -8.240 -13.592 2.727 1.00 0.00 O ATOM 682 CB PHE A 50 -10.376 -11.575 4.078 1.00 0.00 C ATOM 683 CG PHE A 50 -10.346 -11.160 2.632 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.637 -10.037 2.237 1.00 0.00 C ATOM 685 CD2 PHE A 50 -11.028 -11.890 1.670 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.606 -9.651 0.910 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.001 -11.509 0.342 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.289 -10.388 -0.038 1.00 0.00 C ATOM 0 H PHE A 50 -7.492 -11.459 3.472 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.191 -12.524 5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.226 -12.239 4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.539 -10.693 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.102 -9.457 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.587 -12.767 1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.049 -8.774 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.536 -12.087 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.266 -10.088 -1.075 1.00 0.00 H new ATOM 698 N ALA A 51 -9.498 -14.653 4.264 1.00 0.00 N ATOM 699 CA ALA A 51 -9.403 -15.952 3.609 1.00 0.00 C ATOM 700 C ALA A 51 -9.846 -15.852 2.154 1.00 0.00 C ATOM 701 O ALA A 51 -10.754 -15.088 1.824 1.00 0.00 O ATOM 702 CB ALA A 51 -10.239 -16.982 4.354 1.00 0.00 C ATOM 0 H ALA A 51 -10.047 -14.654 5.124 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.362 -16.274 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.158 -17.947 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.877 -17.073 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.282 -16.665 4.365 1.00 0.00 H new ATOM 708 N GLY A 52 -9.206 -16.629 1.287 1.00 0.00 N ATOM 709 CA GLY A 52 -9.548 -16.596 -0.124 1.00 0.00 C ATOM 710 C GLY A 52 -8.832 -17.659 -0.927 1.00 0.00 C ATOM 711 O GLY A 52 -8.206 -18.557 -0.365 1.00 0.00 O ATOM 0 H GLY A 52 -8.459 -17.279 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.624 -16.727 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.303 -15.614 -0.529 1.00 0.00 H new ATOM 715 N VAL A 53 -8.934 -17.559 -2.246 1.00 0.00 N ATOM 716 CA VAL A 53 -8.287 -18.508 -3.142 1.00 0.00 C ATOM 717 C VAL A 53 -7.481 -17.773 -4.205 1.00 0.00 C ATOM 718 O VAL A 53 -7.981 -16.850 -4.848 1.00 0.00 O ATOM 719 CB VAL A 53 -9.314 -19.427 -3.832 1.00 0.00 C ATOM 720 CG1 VAL A 53 -8.610 -20.460 -4.698 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.207 -20.104 -2.803 1.00 0.00 C ATOM 0 H VAL A 53 -9.461 -16.826 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.622 -19.123 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.944 -18.814 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.351 -21.100 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.020 -19.953 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.953 -21.069 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.925 -20.748 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.595 -20.704 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.742 -19.346 -2.231 1.00 0.00 H new ATOM 731 N VAL A 54 -6.232 -18.188 -4.387 1.00 0.00 N ATOM 732 CA VAL A 54 -5.362 -17.562 -5.372 1.00 0.00 C ATOM 733 C VAL A 54 -5.794 -17.919 -6.789 1.00 0.00 C ATOM 734 O VAL A 54 -5.648 -19.060 -7.227 1.00 0.00 O ATOM 735 CB VAL A 54 -3.890 -17.972 -5.171 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.022 -17.449 -6.309 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.378 -17.466 -3.834 1.00 0.00 C ATOM 0 H VAL A 54 -5.802 -18.953 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.448 -16.485 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.834 -19.061 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.987 -17.751 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.375 -17.861 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.082 -16.361 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.337 -17.764 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.451 -16.379 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.978 -17.892 -3.030 1.00 0.00 H new ATOM 747 N LYS A 55 -6.330 -16.932 -7.498 1.00 0.00 N ATOM 748 CA LYS A 55 -6.786 -17.133 -8.866 1.00 0.00 C ATOM 749 C LYS A 55 -5.918 -16.350 -9.846 1.00 0.00 C ATOM 750 O LYS A 55 -5.463 -16.888 -10.855 1.00 0.00 O ATOM 751 CB LYS A 55 -8.250 -16.705 -9.005 1.00 0.00 C ATOM 752 CG LYS A 55 -8.816 -16.900 -10.402 1.00 0.00 C ATOM 753 CD LYS A 55 -8.919 -18.373 -10.764 1.00 0.00 C ATOM 754 CE LYS A 55 -9.426 -18.564 -12.184 1.00 0.00 C ATOM 755 NZ LYS A 55 -9.501 -20.003 -12.558 1.00 0.00 N ATOM 0 H LYS A 55 -6.459 -15.983 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.702 -18.194 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.853 -17.272 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.339 -15.654 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.802 -16.440 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.181 -16.390 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.941 -18.844 -10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.590 -18.874 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.413 -18.112 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.767 -18.042 -12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.851 -20.090 -13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.555 -20.429 -12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.150 -20.496 -11.912 1.00 0.00 H new ATOM 769 N GLU A 56 -5.686 -15.077 -9.536 1.00 0.00 N ATOM 770 CA GLU A 56 -4.874 -14.216 -10.391 1.00 0.00 C ATOM 771 C GLU A 56 -3.720 -13.597 -9.607 1.00 0.00 C ATOM 772 O GLU A 56 -3.922 -12.695 -8.793 1.00 0.00 O ATOM 773 CB GLU A 56 -5.736 -13.113 -11.008 1.00 0.00 C ATOM 774 CG GLU A 56 -6.804 -13.631 -11.957 1.00 0.00 C ATOM 775 CD GLU A 56 -6.223 -14.367 -13.148 1.00 0.00 C ATOM 776 OE1 GLU A 56 -5.825 -13.697 -14.125 1.00 0.00 O ATOM 777 OE2 GLU A 56 -6.166 -15.614 -13.106 1.00 0.00 O ATOM 0 H GLU A 56 -6.049 -14.619 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.457 -14.831 -11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.216 -12.549 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.091 -12.418 -11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.473 -14.298 -11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.406 -12.794 -12.311 1.00 0.00 H new ATOM 784 N LEU A 57 -2.511 -14.089 -9.859 1.00 0.00 N ATOM 785 CA LEU A 57 -1.321 -13.586 -9.181 1.00 0.00 C ATOM 786 C LEU A 57 -0.702 -12.429 -9.963 1.00 0.00 C ATOM 787 O LEU A 57 -0.375 -12.569 -11.142 1.00 0.00 O ATOM 788 CB LEU A 57 -0.301 -14.715 -9.007 1.00 0.00 C ATOM 789 CG LEU A 57 0.907 -14.377 -8.132 1.00 0.00 C ATOM 790 CD1 LEU A 57 0.466 -14.043 -6.715 1.00 0.00 C ATOM 791 CD2 LEU A 57 1.897 -15.533 -8.124 1.00 0.00 C ATOM 0 H LEU A 57 -2.329 -14.837 -10.529 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.612 -13.216 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.809 -15.578 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.057 -15.013 -9.992 1.00 0.00 H new ATOM 0 HG LEU A 57 1.401 -13.501 -8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.340 -13.805 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.206 -13.185 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.053 -14.899 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.751 -15.276 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.411 -16.425 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.239 -15.726 -9.141 1.00 0.00 H new ATOM 803 N LYS A 58 -0.543 -11.288 -9.297 1.00 0.00 N ATOM 804 CA LYS A 58 0.027 -10.101 -9.930 1.00 0.00 C ATOM 805 C LYS A 58 1.469 -9.873 -9.491 1.00 0.00 C ATOM 806 O LYS A 58 2.133 -8.949 -9.965 1.00 0.00 O ATOM 807 CB LYS A 58 -0.818 -8.870 -9.595 1.00 0.00 C ATOM 808 CG LYS A 58 -2.259 -8.966 -10.075 1.00 0.00 C ATOM 809 CD LYS A 58 -2.340 -9.018 -11.594 1.00 0.00 C ATOM 810 CE LYS A 58 -3.781 -9.093 -12.073 1.00 0.00 C ATOM 811 NZ LYS A 58 -4.563 -7.893 -11.669 1.00 0.00 N ATOM 0 H LYS A 58 -0.801 -11.160 -8.318 1.00 0.00 H new ATOM 0 HA LYS A 58 0.023 -10.263 -11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.814 -8.720 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.354 -7.990 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.725 -9.857 -9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.823 -8.108 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.861 -8.134 -12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.788 -9.884 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.798 -9.189 -13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.253 -9.988 -11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.455 -7.864 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.771 -7.941 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.011 -7.035 -11.870 1.00 0.00 H new ATOM 825 N VAL A 59 1.952 -10.717 -8.585 1.00 0.00 N ATOM 826 CA VAL A 59 3.318 -10.603 -8.087 1.00 0.00 C ATOM 827 C VAL A 59 4.128 -11.857 -8.401 1.00 0.00 C ATOM 828 O VAL A 59 3.617 -12.974 -8.331 1.00 0.00 O ATOM 829 CB VAL A 59 3.345 -10.352 -6.566 1.00 0.00 C ATOM 830 CG1 VAL A 59 2.686 -9.021 -6.234 1.00 0.00 C ATOM 831 CG2 VAL A 59 2.664 -11.490 -5.821 1.00 0.00 C ATOM 0 H VAL A 59 1.418 -11.487 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 59 3.767 -9.750 -8.595 1.00 0.00 H new ATOM 0 HB VAL A 59 4.385 -10.310 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.714 -8.860 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.222 -8.215 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.650 -9.034 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.694 -11.293 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.627 -11.569 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.182 -12.425 -6.033 1.00 0.00 H new ATOM 841 N ASN A 60 5.396 -11.662 -8.751 1.00 0.00 N ATOM 842 CA ASN A 60 6.284 -12.773 -9.078 1.00 0.00 C ATOM 843 C ASN A 60 7.539 -12.734 -8.213 1.00 0.00 C ATOM 844 O ASN A 60 7.966 -11.668 -7.772 1.00 0.00 O ATOM 845 CB ASN A 60 6.671 -12.727 -10.559 1.00 0.00 C ATOM 846 CG ASN A 60 5.472 -12.575 -11.481 1.00 0.00 C ATOM 847 OD1 ASN A 60 5.560 -11.926 -12.524 1.00 0.00 O ATOM 848 ND2 ASN A 60 4.347 -13.179 -11.110 1.00 0.00 N ATOM 0 H ASN A 60 5.833 -10.742 -8.816 1.00 0.00 H new ATOM 0 HA ASN A 60 5.752 -13.703 -8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.357 -11.896 -10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.208 -13.640 -10.817 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.516 -13.114 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.315 -13.707 -10.238 1.00 0.00 H new ATOM 855 N VAL A 61 8.121 -13.904 -7.967 1.00 0.00 N ATOM 856 CA VAL A 61 9.330 -14.001 -7.156 1.00 0.00 C ATOM 857 C VAL A 61 10.424 -13.085 -7.697 1.00 0.00 C ATOM 858 O VAL A 61 10.856 -13.229 -8.841 1.00 0.00 O ATOM 859 CB VAL A 61 9.866 -15.445 -7.109 1.00 0.00 C ATOM 860 CG1 VAL A 61 11.092 -15.534 -6.212 1.00 0.00 C ATOM 861 CG2 VAL A 61 8.783 -16.404 -6.639 1.00 0.00 C ATOM 0 H VAL A 61 7.775 -14.797 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 61 9.059 -13.691 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 61 10.161 -15.733 -8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.455 -16.562 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.874 -14.880 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.827 -15.224 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.181 -17.418 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.452 -16.118 -5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.938 -16.364 -7.326 1.00 0.00 H new ATOM 871 N GLY A 62 10.866 -12.145 -6.868 1.00 0.00 N ATOM 872 CA GLY A 62 11.904 -11.220 -7.282 1.00 0.00 C ATOM 873 C GLY A 62 11.341 -9.944 -7.877 1.00 0.00 C ATOM 874 O GLY A 62 12.068 -9.167 -8.495 1.00 0.00 O ATOM 0 H GLY A 62 10.524 -12.008 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.529 -10.972 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.548 -11.706 -8.015 1.00 0.00 H new ATOM 878 N ASP A 63 10.042 -9.729 -7.691 1.00 0.00 N ATOM 879 CA ASP A 63 9.380 -8.538 -8.214 1.00 0.00 C ATOM 880 C ASP A 63 9.108 -7.532 -7.101 1.00 0.00 C ATOM 881 O ASP A 63 8.254 -7.753 -6.245 1.00 0.00 O ATOM 882 CB ASP A 63 8.072 -8.916 -8.911 1.00 0.00 C ATOM 883 CG ASP A 63 7.343 -7.708 -9.467 1.00 0.00 C ATOM 884 OD1 ASP A 63 7.678 -7.279 -10.590 1.00 0.00 O ATOM 885 OD2 ASP A 63 6.435 -7.194 -8.779 1.00 0.00 O ATOM 0 H ASP A 63 9.427 -10.364 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 63 10.047 -8.074 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.284 -9.614 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.424 -9.435 -8.205 1.00 0.00 H new ATOM 890 N LYS A 64 9.851 -6.430 -7.124 1.00 0.00 N ATOM 891 CA LYS A 64 9.706 -5.372 -6.127 1.00 0.00 C ATOM 892 C LYS A 64 8.243 -4.978 -5.944 1.00 0.00 C ATOM 893 O LYS A 64 7.438 -5.086 -6.870 1.00 0.00 O ATOM 894 CB LYS A 64 10.529 -4.149 -6.536 1.00 0.00 C ATOM 895 CG LYS A 64 10.191 -3.624 -7.924 1.00 0.00 C ATOM 896 CD LYS A 64 11.051 -2.426 -8.297 1.00 0.00 C ATOM 897 CE LYS A 64 10.717 -1.208 -7.449 1.00 0.00 C ATOM 898 NZ LYS A 64 9.290 -0.807 -7.592 1.00 0.00 N ATOM 0 H LYS A 64 10.566 -6.245 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 64 10.075 -5.754 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.370 -3.354 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.588 -4.406 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.334 -4.417 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.139 -3.342 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.103 -2.680 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.905 -2.187 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.930 -1.425 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.359 -0.376 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.238 0.176 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.821 -1.433 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.814 -0.884 -6.671 1.00 0.00 H new ATOM 912 N VAL A 65 7.909 -4.520 -4.741 1.00 0.00 N ATOM 913 CA VAL A 65 6.545 -4.108 -4.428 1.00 0.00 C ATOM 914 C VAL A 65 6.522 -2.686 -3.873 1.00 0.00 C ATOM 915 O VAL A 65 7.520 -2.203 -3.339 1.00 0.00 O ATOM 916 CB VAL A 65 5.896 -5.064 -3.405 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.542 -4.909 -2.035 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.393 -4.831 -3.325 1.00 0.00 C ATOM 0 H VAL A 65 8.565 -4.425 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 65 5.974 -4.142 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 65 6.062 -6.087 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.069 -5.592 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.605 -5.139 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.415 -3.884 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.957 -5.516 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.200 -3.803 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.945 -5.007 -4.303 1.00 0.00 H new ATOM 928 N LYS A 66 5.379 -2.019 -4.003 1.00 0.00 N ATOM 929 CA LYS A 66 5.232 -0.654 -3.511 1.00 0.00 C ATOM 930 C LYS A 66 3.877 -0.460 -2.840 1.00 0.00 C ATOM 931 O LYS A 66 2.890 -1.092 -3.217 1.00 0.00 O ATOM 932 CB LYS A 66 5.396 0.346 -4.656 1.00 0.00 C ATOM 933 CG LYS A 66 6.754 0.275 -5.337 1.00 0.00 C ATOM 934 CD LYS A 66 6.889 1.328 -6.428 1.00 0.00 C ATOM 935 CE LYS A 66 6.916 2.734 -5.848 1.00 0.00 C ATOM 936 NZ LYS A 66 7.072 3.767 -6.908 1.00 0.00 N ATOM 0 H LYS A 66 4.543 -2.401 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 66 6.012 -0.477 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.617 0.167 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.244 1.354 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.541 0.415 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.894 -0.716 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.803 1.150 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.057 1.238 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.994 2.917 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.737 2.818 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.086 4.712 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.964 3.608 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.275 3.704 -7.574 1.00 0.00 H new ATOM 950 N THR A 67 3.840 0.421 -1.846 1.00 0.00 N ATOM 951 CA THR A 67 2.609 0.706 -1.117 1.00 0.00 C ATOM 952 C THR A 67 1.545 1.288 -2.042 1.00 0.00 C ATOM 953 O THR A 67 1.806 2.237 -2.782 1.00 0.00 O ATOM 954 CB THR A 67 2.859 1.692 0.039 1.00 0.00 C ATOM 955 OG1 THR A 67 3.933 1.221 0.862 1.00 0.00 O ATOM 956 CG2 THR A 67 1.607 1.864 0.885 1.00 0.00 C ATOM 0 H THR A 67 4.650 0.951 -1.526 1.00 0.00 H new ATOM 0 HA THR A 67 2.255 -0.241 -0.710 1.00 0.00 H new ATOM 0 HB THR A 67 3.125 2.658 -0.390 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.087 1.855 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.809 2.565 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.798 2.250 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.315 0.901 1.303 1.00 0.00 H new ATOM 964 N GLY A 68 0.347 0.714 -1.993 1.00 0.00 N ATOM 965 CA GLY A 68 -0.740 1.190 -2.830 1.00 0.00 C ATOM 966 C GLY A 68 -0.930 0.343 -4.073 1.00 0.00 C ATOM 967 O GLY A 68 -1.973 0.409 -4.724 1.00 0.00 O ATOM 0 H GLY A 68 0.109 -0.072 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.664 1.194 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.543 2.221 -3.124 1.00 0.00 H new ATOM 971 N SER A 69 0.080 -0.456 -4.403 1.00 0.00 N ATOM 972 CA SER A 69 0.021 -1.320 -5.577 1.00 0.00 C ATOM 973 C SER A 69 -0.694 -2.629 -5.254 1.00 0.00 C ATOM 974 O SER A 69 -0.764 -3.041 -4.096 1.00 0.00 O ATOM 975 CB SER A 69 1.431 -1.610 -6.094 1.00 0.00 C ATOM 976 OG SER A 69 1.392 -2.432 -7.247 1.00 0.00 O ATOM 0 H SER A 69 0.949 -0.523 -3.874 1.00 0.00 H new ATOM 0 HA SER A 69 -0.543 -0.800 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.936 -0.673 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.014 -2.100 -5.314 1.00 0.00 H new ATOM 0 HG SER A 69 2.305 -2.601 -7.559 1.00 0.00 H new ATOM 982 N LEU A 70 -1.222 -3.279 -6.287 1.00 0.00 N ATOM 983 CA LEU A 70 -1.929 -4.544 -6.118 1.00 0.00 C ATOM 984 C LEU A 70 -0.944 -5.699 -5.976 1.00 0.00 C ATOM 985 O LEU A 70 0.195 -5.615 -6.436 1.00 0.00 O ATOM 986 CB LEU A 70 -2.863 -4.799 -7.304 1.00 0.00 C ATOM 987 CG LEU A 70 -4.121 -3.924 -7.352 1.00 0.00 C ATOM 988 CD1 LEU A 70 -3.760 -2.472 -7.628 1.00 0.00 C ATOM 989 CD2 LEU A 70 -5.085 -4.444 -8.407 1.00 0.00 C ATOM 0 H LEU A 70 -1.173 -2.950 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.524 -4.479 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.301 -4.648 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.169 -5.845 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.610 -3.972 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.669 -1.870 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.106 -2.103 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.246 -2.401 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.974 -3.813 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.601 -4.425 -9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.372 -5.467 -8.165 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.389 -6.778 -5.338 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.542 -7.948 -5.140 1.00 0.00 C ATOM 1003 C ILE A 71 -1.237 -9.229 -5.595 1.00 0.00 C ATOM 1004 O ILE A 71 -0.658 -10.028 -6.333 1.00 0.00 O ATOM 1005 CB ILE A 71 -0.113 -8.095 -3.666 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -1.327 -7.990 -2.738 1.00 0.00 C ATOM 1007 CG2 ILE A 71 0.927 -7.042 -3.313 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -1.006 -8.254 -1.282 1.00 0.00 C ATOM 0 H ILE A 71 -2.329 -6.866 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 71 0.347 -7.793 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 71 0.333 -9.080 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.759 -6.993 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.087 -8.698 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.221 -7.157 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.801 -7.165 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.505 -6.049 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.914 -8.162 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.603 -9.261 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.269 -7.530 -0.935 1.00 0.00 H new ATOM 1020 N MET A 72 -2.480 -9.421 -5.157 1.00 0.00 N ATOM 1021 CA MET A 72 -3.242 -10.612 -5.522 1.00 0.00 C ATOM 1022 C MET A 72 -4.714 -10.461 -5.145 1.00 0.00 C ATOM 1023 O MET A 72 -5.044 -9.875 -4.114 1.00 0.00 O ATOM 1024 CB MET A 72 -2.647 -11.846 -4.837 1.00 0.00 C ATOM 1025 CG MET A 72 -2.544 -11.711 -3.326 1.00 0.00 C ATOM 1026 SD MET A 72 -1.304 -12.809 -2.610 1.00 0.00 S ATOM 1027 CE MET A 72 -1.843 -14.398 -3.237 1.00 0.00 C ATOM 0 H MET A 72 -2.979 -8.769 -4.551 1.00 0.00 H new ATOM 0 HA MET A 72 -3.181 -10.737 -6.603 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.260 -12.715 -5.075 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.654 -12.035 -5.245 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.299 -10.679 -3.074 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.515 -11.926 -2.879 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.702 -15.159 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.898 -14.345 -3.505 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.258 -14.659 -4.119 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.593 -10.994 -5.989 1.00 0.00 N ATOM 1038 CA ILE A 73 -7.031 -10.920 -5.748 1.00 0.00 C ATOM 1039 C ILE A 73 -7.595 -12.295 -5.401 1.00 0.00 C ATOM 1040 O ILE A 73 -7.220 -13.299 -6.005 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.779 -10.373 -6.980 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -7.129 -9.072 -7.460 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -9.249 -10.154 -6.652 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -7.721 -8.534 -8.745 1.00 0.00 C ATOM 0 H ILE A 73 -5.335 -11.482 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.179 -10.240 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.715 -11.106 -7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.229 -8.317 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.062 -9.241 -7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.764 -9.768 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.700 -11.100 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.337 -9.437 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.211 -7.612 -9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.597 -9.270 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.782 -8.332 -8.600 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.499 -12.336 -4.426 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.107 -13.593 -4.005 1.00 0.00 C ATOM 1058 C PHE A 74 -10.580 -13.666 -4.377 1.00 0.00 C ATOM 1059 O PHE A 74 -11.348 -12.745 -4.098 1.00 0.00 O ATOM 1060 CB PHE A 74 -8.971 -13.775 -2.497 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.563 -13.693 -2.006 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.643 -14.669 -2.342 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -7.160 -12.642 -1.202 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.345 -14.599 -1.887 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.864 -12.567 -0.741 1.00 0.00 C ATOM 1066 CZ PHE A 74 -4.952 -13.545 -1.082 1.00 0.00 C ATOM 0 H PHE A 74 -8.825 -11.516 -3.915 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.577 -14.389 -4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.567 -13.014 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.388 -14.743 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.946 -15.495 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.868 -11.873 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.635 -15.366 -2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.562 -11.742 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.935 -13.488 -0.722 1.00 0.00 H new ATOM 1076 N GLU A 75 -10.968 -14.771 -5.004 1.00 0.00 N ATOM 1077 CA GLU A 75 -12.356 -14.985 -5.386 1.00 0.00 C ATOM 1078 C GLU A 75 -13.063 -15.770 -4.289 1.00 0.00 C ATOM 1079 O GLU A 75 -13.046 -17.001 -4.281 1.00 0.00 O ATOM 1080 CB GLU A 75 -12.438 -15.737 -6.715 1.00 0.00 C ATOM 1081 CG GLU A 75 -13.859 -15.950 -7.209 1.00 0.00 C ATOM 1082 CD GLU A 75 -13.912 -16.692 -8.529 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -13.844 -16.030 -9.586 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -14.020 -17.936 -8.507 1.00 0.00 O ATOM 0 H GLU A 75 -10.339 -15.532 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.845 -14.019 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.879 -15.184 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.952 -16.706 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.420 -16.508 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.350 -14.983 -7.320 1.00 0.00 H new ATOM 1091 N VAL A 76 -13.679 -15.048 -3.359 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.369 -15.679 -2.243 1.00 0.00 C ATOM 1093 C VAL A 76 -15.872 -15.762 -2.487 1.00 0.00 C ATOM 1094 O VAL A 76 -16.423 -15.017 -3.295 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.101 -14.927 -0.924 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -12.613 -14.657 -0.761 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -14.890 -13.628 -0.862 1.00 0.00 C ATOM 0 H VAL A 76 -13.714 -14.029 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.974 -16.692 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.433 -15.560 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.440 -14.126 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.071 -15.603 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.260 -14.049 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.681 -13.120 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.600 -12.986 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.956 -13.846 -0.927 1.00 0.00 H new ATOM 1853 N SER B 43 -15.302 -11.117 -4.423 1.00 0.00 N ATOM 1854 CA SER B 43 -13.867 -10.959 -4.620 1.00 0.00 C ATOM 1855 C SER B 43 -13.468 -9.492 -4.493 1.00 0.00 C ATOM 1856 O SER B 43 -14.195 -8.604 -4.938 1.00 0.00 O ATOM 1857 CB SER B 43 -13.462 -11.491 -5.995 1.00 0.00 C ATOM 1858 OG SER B 43 -12.070 -11.339 -6.213 1.00 0.00 O ATOM 0 HA SER B 43 -13.349 -11.530 -3.850 1.00 0.00 H new ATOM 0 HB2 SER B 43 -13.733 -12.544 -6.075 1.00 0.00 H new ATOM 0 HB3 SER B 43 -14.014 -10.960 -6.770 1.00 0.00 H new ATOM 0 HG SER B 43 -11.583 -11.574 -5.395 1.00 0.00 H new ATOM 1864 N MET B 44 -12.312 -9.241 -3.885 1.00 0.00 N ATOM 1865 CA MET B 44 -11.828 -7.876 -3.705 1.00 0.00 C ATOM 1866 C MET B 44 -10.305 -7.823 -3.744 1.00 0.00 C ATOM 1867 O MET B 44 -9.630 -8.591 -3.060 1.00 0.00 O ATOM 1868 CB MET B 44 -12.334 -7.307 -2.377 1.00 0.00 C ATOM 1869 CG MET B 44 -11.931 -5.860 -2.140 1.00 0.00 C ATOM 1870 SD MET B 44 -12.531 -5.220 -0.564 1.00 0.00 S ATOM 1871 CE MET B 44 -11.653 -6.275 0.588 1.00 0.00 C ATOM 0 H MET B 44 -11.695 -9.962 -3.510 1.00 0.00 H new ATOM 0 HA MET B 44 -12.213 -7.272 -4.526 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.421 -7.381 -2.351 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.953 -7.920 -1.560 1.00 0.00 H new ATOM 0 HG2 MET B 44 -10.844 -5.780 -2.170 1.00 0.00 H new ATOM 0 HG3 MET B 44 -12.318 -5.242 -2.950 1.00 0.00 H new ATOM 0 HE1 MET B 44 -11.643 -5.809 1.573 1.00 0.00 H new ATOM 0 HE2 MET B 44 -12.152 -7.242 0.649 1.00 0.00 H new ATOM 0 HE3 MET B 44 -10.629 -6.417 0.243 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.772 -6.910 -4.549 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.328 -6.751 -4.675 1.00 0.00 C ATOM 1883 C GLU B 45 -7.742 -6.156 -3.399 1.00 0.00 C ATOM 1884 O GLU B 45 -8.410 -5.399 -2.693 1.00 0.00 O ATOM 1885 CB GLU B 45 -7.994 -5.857 -5.871 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.661 -4.492 -5.814 1.00 0.00 C ATOM 1887 CD GLU B 45 -8.349 -3.638 -7.028 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -9.051 -3.777 -8.050 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -7.400 -2.828 -6.954 1.00 0.00 O ATOM 0 H GLU B 45 -10.319 -6.269 -5.124 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.887 -7.735 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -6.914 -5.723 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.297 -6.362 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.740 -4.622 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.335 -3.970 -4.914 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.493 -6.501 -3.107 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.823 -5.999 -1.913 1.00 0.00 C ATOM 1898 C VAL B 46 -4.493 -5.331 -2.263 1.00 0.00 C ATOM 1899 O VAL B 46 -3.799 -5.762 -3.183 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.567 -7.126 -0.894 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.876 -7.769 -0.467 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.619 -8.166 -1.469 1.00 0.00 C ATOM 0 H VAL B 46 -5.925 -7.125 -3.680 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.489 -5.261 -1.467 1.00 0.00 H new ATOM 0 HB VAL B 46 -5.098 -6.689 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.674 -8.562 0.253 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.518 -7.017 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.376 -8.189 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.452 -8.952 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -5.056 -8.598 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.668 -7.694 -1.718 1.00 0.00 H new ATOM 1912 N PRO B 47 -4.120 -4.262 -1.531 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.881 -3.538 -1.752 1.00 0.00 C ATOM 1914 C PRO B 47 -1.800 -3.905 -0.738 1.00 0.00 C ATOM 1915 O PRO B 47 -2.100 -4.265 0.400 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.337 -2.099 -1.535 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.406 -2.189 -0.483 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.900 -3.622 -0.462 1.00 0.00 C ATOM 0 HA PRO B 47 -2.431 -3.745 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.511 -1.468 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.724 -1.664 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -4.010 -1.905 0.492 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -5.224 -1.504 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.723 -4.095 0.504 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.971 -3.681 -0.654 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.541 -3.813 -1.157 1.00 0.00 N ATOM 1927 CA ALA B 48 0.577 -4.135 -0.278 1.00 0.00 C ATOM 1928 C ALA B 48 0.608 -3.196 0.928 1.00 0.00 C ATOM 1929 O ALA B 48 0.281 -2.015 0.808 1.00 0.00 O ATOM 1930 CB ALA B 48 1.891 -4.063 -1.042 1.00 0.00 C ATOM 0 H ALA B 48 -0.271 -3.519 -2.096 1.00 0.00 H new ATOM 0 HA ALA B 48 0.442 -5.153 0.087 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.715 -4.306 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.872 -4.775 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.028 -3.056 -1.436 1.00 0.00 H new ATOM 1936 N PRO B 49 1.006 -3.706 2.110 1.00 0.00 N ATOM 1937 CA PRO B 49 1.070 -2.900 3.335 1.00 0.00 C ATOM 1938 C PRO B 49 2.152 -1.825 3.275 1.00 0.00 C ATOM 1939 O PRO B 49 1.896 -0.659 3.572 1.00 0.00 O ATOM 1940 CB PRO B 49 1.394 -3.924 4.425 1.00 0.00 C ATOM 1941 CG PRO B 49 2.053 -5.051 3.709 1.00 0.00 C ATOM 1942 CD PRO B 49 1.422 -5.102 2.346 1.00 0.00 C ATOM 0 HA PRO B 49 0.141 -2.356 3.506 1.00 0.00 H new ATOM 0 HB2 PRO B 49 2.052 -3.499 5.183 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.490 -4.256 4.937 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.129 -4.890 3.635 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.907 -5.990 4.242 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.128 -5.445 1.589 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.572 -5.784 2.322 1.00 0.00 H new ATOM 1950 N PHE B 50 3.359 -2.225 2.888 1.00 0.00 N ATOM 1951 CA PHE B 50 4.480 -1.296 2.795 1.00 0.00 C ATOM 1952 C PHE B 50 5.435 -1.700 1.678 1.00 0.00 C ATOM 1953 O PHE B 50 5.552 -2.880 1.345 1.00 0.00 O ATOM 1954 CB PHE B 50 5.232 -1.235 4.127 1.00 0.00 C ATOM 1955 CG PHE B 50 5.795 -2.559 4.562 1.00 0.00 C ATOM 1956 CD1 PHE B 50 4.986 -3.502 5.175 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.133 -2.861 4.357 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.499 -4.720 5.576 1.00 0.00 C ATOM 1959 CE2 PHE B 50 7.651 -4.077 4.757 1.00 0.00 C ATOM 1960 CZ PHE B 50 6.833 -5.009 5.367 1.00 0.00 C ATOM 0 H PHE B 50 3.586 -3.186 2.634 1.00 0.00 H new ATOM 0 HA PHE B 50 4.080 -0.309 2.565 1.00 0.00 H new ATOM 0 HB2 PHE B 50 6.045 -0.514 4.043 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.557 -0.865 4.899 1.00 0.00 H new ATOM 0 HD1 PHE B 50 3.942 -3.282 5.341 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.777 -2.137 3.879 1.00 0.00 H new ATOM 0 HE1 PHE B 50 4.857 -5.446 6.053 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.695 -4.300 4.593 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.236 -5.961 5.679 1.00 0.00 H new ATOM 1970 N ALA B 51 6.115 -0.713 1.102 1.00 0.00 N ATOM 1971 CA ALA B 51 7.061 -0.965 0.021 1.00 0.00 C ATOM 1972 C ALA B 51 8.163 -1.917 0.470 1.00 0.00 C ATOM 1973 O ALA B 51 8.595 -1.881 1.623 1.00 0.00 O ATOM 1974 CB ALA B 51 7.662 0.342 -0.471 1.00 0.00 C ATOM 0 H ALA B 51 6.028 0.268 1.366 1.00 0.00 H new ATOM 0 HA ALA B 51 6.519 -1.435 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.366 0.138 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA B 51 6.868 0.992 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.184 0.834 0.350 1.00 0.00 H new ATOM 1980 N GLY B 52 8.614 -2.768 -0.445 1.00 0.00 N ATOM 1981 CA GLY B 52 9.664 -3.716 -0.124 1.00 0.00 C ATOM 1982 C GLY B 52 10.118 -4.514 -1.331 1.00 0.00 C ATOM 1983 O GLY B 52 9.841 -4.139 -2.470 1.00 0.00 O ATOM 0 H GLY B 52 8.271 -2.818 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.516 -3.181 0.295 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.308 -4.400 0.646 1.00 0.00 H new ATOM 1987 N VAL B 53 10.816 -5.617 -1.080 1.00 0.00 N ATOM 1988 CA VAL B 53 11.313 -6.469 -2.154 1.00 0.00 C ATOM 1989 C VAL B 53 10.968 -7.934 -1.898 1.00 0.00 C ATOM 1990 O VAL B 53 11.134 -8.436 -0.787 1.00 0.00 O ATOM 1991 CB VAL B 53 12.840 -6.332 -2.320 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.328 -7.156 -3.501 1.00 0.00 C ATOM 1993 CG2 VAL B 53 13.227 -4.870 -2.484 1.00 0.00 C ATOM 0 H VAL B 53 11.050 -5.942 -0.142 1.00 0.00 H new ATOM 0 HA VAL B 53 10.825 -6.139 -3.071 1.00 0.00 H new ATOM 0 HB VAL B 53 13.321 -6.715 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.408 -7.045 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.084 -8.206 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL B 53 12.842 -6.808 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL B 53 14.308 -4.791 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL B 53 12.736 -4.461 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL B 53 12.915 -4.310 -1.603 1.00 0.00 H new ATOM 2003 N VAL B 54 10.488 -8.613 -2.937 1.00 0.00 N ATOM 2004 CA VAL B 54 10.118 -10.019 -2.830 1.00 0.00 C ATOM 2005 C VAL B 54 11.357 -10.910 -2.767 1.00 0.00 C ATOM 2006 O VAL B 54 12.073 -11.067 -3.756 1.00 0.00 O ATOM 2007 CB VAL B 54 9.233 -10.451 -4.017 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.023 -11.960 -4.018 1.00 0.00 C ATOM 2009 CG2 VAL B 54 7.898 -9.726 -3.968 1.00 0.00 C ATOM 0 H VAL B 54 10.347 -8.210 -3.863 1.00 0.00 H new ATOM 0 HA VAL B 54 9.552 -10.135 -1.906 1.00 0.00 H new ATOM 0 HB VAL B 54 9.744 -10.182 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.396 -12.240 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL B 54 9.987 -12.461 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL B 54 8.535 -12.260 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL B 54 7.282 -10.040 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL B 54 7.387 -9.967 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.066 -8.650 -4.022 1.00 0.00 H new ATOM 2019 N LYS B 55 11.600 -11.492 -1.595 1.00 0.00 N ATOM 2020 CA LYS B 55 12.751 -12.364 -1.396 1.00 0.00 C ATOM 2021 C LYS B 55 12.310 -13.805 -1.161 1.00 0.00 C ATOM 2022 O LYS B 55 12.805 -14.729 -1.806 1.00 0.00 O ATOM 2023 CB LYS B 55 13.589 -11.873 -0.212 1.00 0.00 C ATOM 2024 CG LYS B 55 14.836 -12.704 0.047 1.00 0.00 C ATOM 2025 CD LYS B 55 15.825 -12.602 -1.106 1.00 0.00 C ATOM 2026 CE LYS B 55 17.050 -13.471 -0.869 1.00 0.00 C ATOM 2027 NZ LYS B 55 18.045 -13.339 -1.970 1.00 0.00 N ATOM 0 H LYS B 55 11.013 -11.374 -0.769 1.00 0.00 H new ATOM 0 HA LYS B 55 13.359 -12.334 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS B 55 13.884 -10.839 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.970 -11.876 0.685 1.00 0.00 H new ATOM 0 HG2 LYS B 55 15.313 -12.368 0.968 1.00 0.00 H new ATOM 0 HG3 LYS B 55 14.555 -13.747 0.195 1.00 0.00 H new ATOM 0 HD2 LYS B 55 15.337 -12.904 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS B 55 16.133 -11.564 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS B 55 17.515 -13.193 0.076 1.00 0.00 H new ATOM 0 HE3 LYS B 55 16.744 -14.513 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 18.865 -13.947 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 17.609 -13.629 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 18.356 -12.349 -2.040 1.00 0.00 H new ATOM 2041 N GLU B 56 11.374 -13.988 -0.234 1.00 0.00 N ATOM 2042 CA GLU B 56 10.864 -15.317 0.086 1.00 0.00 C ATOM 2043 C GLU B 56 9.354 -15.387 -0.108 1.00 0.00 C ATOM 2044 O GLU B 56 8.590 -14.810 0.666 1.00 0.00 O ATOM 2045 CB GLU B 56 11.224 -15.690 1.525 1.00 0.00 C ATOM 2046 CG GLU B 56 12.719 -15.821 1.768 1.00 0.00 C ATOM 2047 CD GLU B 56 13.354 -16.904 0.917 1.00 0.00 C ATOM 2048 OE1 GLU B 56 13.285 -18.087 1.312 1.00 0.00 O ATOM 2049 OE2 GLU B 56 13.922 -16.569 -0.144 1.00 0.00 O ATOM 0 H GLU B 56 10.954 -13.233 0.308 1.00 0.00 H new ATOM 0 HA GLU B 56 11.329 -16.029 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU B 56 10.821 -14.934 2.198 1.00 0.00 H new ATOM 0 HB3 GLU B 56 10.740 -16.633 1.778 1.00 0.00 H new ATOM 0 HG2 GLU B 56 13.203 -14.867 1.557 1.00 0.00 H new ATOM 0 HG3 GLU B 56 12.895 -16.041 2.821 1.00 0.00 H new ATOM 2056 N LEU B 57 8.930 -16.095 -1.150 1.00 0.00 N ATOM 2057 CA LEU B 57 7.512 -16.246 -1.449 1.00 0.00 C ATOM 2058 C LEU B 57 6.947 -17.488 -0.766 1.00 0.00 C ATOM 2059 O LEU B 57 7.453 -18.595 -0.958 1.00 0.00 O ATOM 2060 CB LEU B 57 7.297 -16.333 -2.962 1.00 0.00 C ATOM 2061 CG LEU B 57 5.839 -16.279 -3.417 1.00 0.00 C ATOM 2062 CD1 LEU B 57 5.202 -14.954 -3.023 1.00 0.00 C ATOM 2063 CD2 LEU B 57 5.743 -16.491 -4.921 1.00 0.00 C ATOM 0 H LEU B 57 9.551 -16.574 -1.802 1.00 0.00 H new ATOM 0 HA LEU B 57 6.985 -15.372 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU B 57 7.840 -15.516 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU B 57 7.739 -17.262 -3.323 1.00 0.00 H new ATOM 0 HG LEU B 57 5.294 -17.081 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU B 57 4.164 -14.936 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU B 57 5.237 -14.841 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU B 57 5.748 -14.135 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU B 57 4.698 -16.450 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU B 57 6.304 -15.710 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU B 57 6.158 -17.465 -5.178 1.00 0.00 H new ATOM 2075 N LYS B 58 5.899 -17.297 0.030 1.00 0.00 N ATOM 2076 CA LYS B 58 5.274 -18.403 0.747 1.00 0.00 C ATOM 2077 C LYS B 58 3.959 -18.817 0.095 1.00 0.00 C ATOM 2078 O LYS B 58 3.316 -19.773 0.529 1.00 0.00 O ATOM 2079 CB LYS B 58 5.027 -18.015 2.208 1.00 0.00 C ATOM 2080 CG LYS B 58 6.296 -17.675 2.975 1.00 0.00 C ATOM 2081 CD LYS B 58 7.227 -18.872 3.073 1.00 0.00 C ATOM 2082 CE LYS B 58 8.488 -18.534 3.854 1.00 0.00 C ATOM 2083 NZ LYS B 58 8.179 -18.101 5.244 1.00 0.00 N ATOM 0 H LYS B 58 5.466 -16.388 0.194 1.00 0.00 H new ATOM 0 HA LYS B 58 5.957 -19.252 0.707 1.00 0.00 H new ATOM 0 HB2 LYS B 58 4.355 -17.158 2.238 1.00 0.00 H new ATOM 0 HB3 LYS B 58 4.518 -18.837 2.712 1.00 0.00 H new ATOM 0 HG2 LYS B 58 6.811 -16.852 2.480 1.00 0.00 H new ATOM 0 HG3 LYS B 58 6.036 -17.332 3.977 1.00 0.00 H new ATOM 0 HD2 LYS B 58 6.708 -19.699 3.558 1.00 0.00 H new ATOM 0 HD3 LYS B 58 7.497 -19.208 2.072 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.142 -19.405 3.882 1.00 0.00 H new ATOM 0 HE3 LYS B 58 9.033 -17.742 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 9.047 -18.125 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 7.800 -17.133 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 7.474 -18.743 5.659 1.00 0.00 H new ATOM 2097 N VAL B 59 3.562 -18.094 -0.947 1.00 0.00 N ATOM 2098 CA VAL B 59 2.318 -18.393 -1.651 1.00 0.00 C ATOM 2099 C VAL B 59 2.578 -18.748 -3.114 1.00 0.00 C ATOM 2100 O VAL B 59 3.442 -18.160 -3.763 1.00 0.00 O ATOM 2101 CB VAL B 59 1.335 -17.208 -1.588 1.00 0.00 C ATOM 2102 CG1 VAL B 59 0.926 -16.931 -0.150 1.00 0.00 C ATOM 2103 CG2 VAL B 59 1.944 -15.967 -2.223 1.00 0.00 C ATOM 0 H VAL B 59 4.080 -17.300 -1.322 1.00 0.00 H new ATOM 0 HA VAL B 59 1.873 -19.251 -1.148 1.00 0.00 H new ATOM 0 HB VAL B 59 0.442 -17.474 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.232 -16.091 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL B 59 0.442 -17.814 0.267 1.00 0.00 H new ATOM 0 HG13 VAL B 59 1.810 -16.689 0.440 1.00 0.00 H new ATOM 0 HG21 VAL B 59 1.232 -15.143 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL B 59 2.856 -15.696 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL B 59 2.181 -16.172 -3.267 1.00 0.00 H new ATOM 2113 N ASN B 60 1.823 -19.716 -3.623 1.00 0.00 N ATOM 2114 CA ASN B 60 1.964 -20.155 -5.008 1.00 0.00 C ATOM 2115 C ASN B 60 0.626 -20.073 -5.735 1.00 0.00 C ATOM 2116 O ASN B 60 -0.432 -20.188 -5.118 1.00 0.00 O ATOM 2117 CB ASN B 60 2.499 -21.588 -5.062 1.00 0.00 C ATOM 2118 CG ASN B 60 3.735 -21.791 -4.202 1.00 0.00 C ATOM 2119 OD1 ASN B 60 3.928 -22.859 -3.623 1.00 0.00 O ATOM 2120 ND2 ASN B 60 4.585 -20.772 -4.120 1.00 0.00 N ATOM 0 H ASN B 60 1.105 -20.213 -3.096 1.00 0.00 H new ATOM 0 HA ASN B 60 2.674 -19.494 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN B 60 1.718 -22.274 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.735 -21.843 -6.095 1.00 0.00 H new ATOM 0 HD21 ASN B 60 5.434 -20.860 -3.561 1.00 0.00 H new ATOM 0 HD22 ASN B 60 4.388 -19.903 -4.616 1.00 0.00 H new ATOM 2127 N VAL B 61 0.679 -19.865 -7.047 1.00 0.00 N ATOM 2128 CA VAL B 61 -0.532 -19.772 -7.854 1.00 0.00 C ATOM 2129 C VAL B 61 -1.416 -20.999 -7.660 1.00 0.00 C ATOM 2130 O VAL B 61 -1.002 -22.124 -7.940 1.00 0.00 O ATOM 2131 CB VAL B 61 -0.200 -19.621 -9.352 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -1.471 -19.451 -10.170 1.00 0.00 C ATOM 2133 CG2 VAL B 61 0.746 -18.450 -9.575 1.00 0.00 C ATOM 0 H VAL B 61 1.546 -19.758 -7.573 1.00 0.00 H new ATOM 0 HA VAL B 61 -1.069 -18.884 -7.519 1.00 0.00 H new ATOM 0 HB VAL B 61 0.299 -20.531 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -1.214 -19.346 -11.224 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -2.109 -20.325 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -2.002 -18.560 -9.836 1.00 0.00 H new ATOM 0 HG21 VAL B 61 0.969 -18.359 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL B 61 0.277 -17.531 -9.223 1.00 0.00 H new ATOM 0 HG23 VAL B 61 1.671 -18.619 -9.024 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.636 -20.773 -7.179 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.561 -21.867 -6.953 1.00 0.00 C ATOM 2145 C GLY B 62 -3.511 -22.387 -5.530 1.00 0.00 C ATOM 2146 O GLY B 62 -4.085 -23.431 -5.224 1.00 0.00 O ATOM 0 H GLY B 62 -2.999 -19.850 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -4.574 -21.534 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -3.332 -22.680 -7.642 1.00 0.00 H new ATOM 2150 N ASP B 63 -2.823 -21.656 -4.657 1.00 0.00 N ATOM 2151 CA ASP B 63 -2.703 -22.052 -3.257 1.00 0.00 C ATOM 2152 C ASP B 63 -3.656 -21.245 -2.381 1.00 0.00 C ATOM 2153 O ASP B 63 -3.486 -20.037 -2.214 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.264 -21.866 -2.773 1.00 0.00 C ATOM 2155 CG ASP B 63 -1.087 -22.253 -1.317 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -0.896 -23.456 -1.043 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -1.137 -21.353 -0.454 1.00 0.00 O ATOM 0 H ASP B 63 -2.341 -20.789 -4.893 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.970 -23.106 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -0.596 -22.468 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -0.970 -20.825 -2.907 1.00 0.00 H new ATOM 2162 N LYS B 64 -4.655 -21.922 -1.825 1.00 0.00 N ATOM 2163 CA LYS B 64 -5.641 -21.274 -0.967 1.00 0.00 C ATOM 2164 C LYS B 64 -4.967 -20.481 0.150 1.00 0.00 C ATOM 2165 O LYS B 64 -3.878 -20.832 0.606 1.00 0.00 O ATOM 2166 CB LYS B 64 -6.584 -22.318 -0.365 1.00 0.00 C ATOM 2167 CG LYS B 64 -5.861 -23.435 0.373 1.00 0.00 C ATOM 2168 CD LYS B 64 -6.835 -24.466 0.924 1.00 0.00 C ATOM 2169 CE LYS B 64 -7.687 -23.889 2.044 1.00 0.00 C ATOM 2170 NZ LYS B 64 -6.856 -23.397 3.177 1.00 0.00 N ATOM 0 H LYS B 64 -4.804 -22.923 -1.954 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.214 -20.580 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -7.270 -21.823 0.323 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.189 -22.752 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -5.158 -23.923 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -5.277 -23.013 1.190 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -7.481 -24.823 0.122 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -6.281 -25.329 1.295 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -8.292 -23.070 1.655 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -8.377 -24.652 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -7.200 -23.813 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -5.865 -23.673 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -6.922 -22.361 3.232 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.627 -19.412 0.585 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.102 -18.561 1.648 1.00 0.00 C ATOM 2186 C VAL B 65 -6.094 -18.463 2.804 1.00 0.00 C ATOM 2187 O VAL B 65 -7.288 -18.703 2.629 1.00 0.00 O ATOM 2188 CB VAL B 65 -4.793 -17.142 1.125 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.079 -16.378 0.848 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.916 -16.384 2.109 1.00 0.00 C ATOM 0 H VAL B 65 -6.530 -19.114 0.216 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.178 -19.018 2.002 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.246 -17.237 0.187 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.838 -15.381 0.480 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.664 -16.910 0.097 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.658 -16.295 1.768 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.711 -15.387 1.720 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.431 -16.301 3.066 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -2.977 -16.920 2.247 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.596 -18.109 3.986 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.447 -17.979 5.162 1.00 0.00 C ATOM 2202 C LYS B 66 -6.006 -16.805 6.032 1.00 0.00 C ATOM 2203 O LYS B 66 -4.826 -16.453 6.067 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.434 -19.271 5.979 1.00 0.00 C ATOM 2205 CG LYS B 66 -6.974 -20.472 5.218 1.00 0.00 C ATOM 2206 CD LYS B 66 -6.991 -21.724 6.082 1.00 0.00 C ATOM 2207 CE LYS B 66 -8.005 -21.613 7.211 1.00 0.00 C ATOM 2208 NZ LYS B 66 -8.014 -22.828 8.072 1.00 0.00 N ATOM 0 H LYS B 66 -4.610 -17.908 4.153 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.464 -17.788 4.819 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.413 -19.481 6.297 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.026 -19.127 6.883 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -7.984 -20.257 4.868 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.361 -20.648 4.334 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -7.228 -22.590 5.464 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -5.998 -21.892 6.499 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -7.776 -20.738 7.820 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -8.999 -21.458 6.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -8.718 -22.712 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -8.258 -23.659 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -7.072 -22.962 8.493 1.00 0.00 H new ATOM 2222 N THR B 67 -6.964 -16.206 6.732 1.00 0.00 N ATOM 2223 CA THR B 67 -6.684 -15.069 7.601 1.00 0.00 C ATOM 2224 C THR B 67 -5.751 -15.464 8.741 1.00 0.00 C ATOM 2225 O THR B 67 -5.990 -16.449 9.441 1.00 0.00 O ATOM 2226 CB THR B 67 -7.983 -14.484 8.188 1.00 0.00 C ATOM 2227 OG1 THR B 67 -8.922 -14.226 7.137 1.00 0.00 O ATOM 2228 CG2 THR B 67 -7.704 -13.196 8.948 1.00 0.00 C ATOM 0 H THR B 67 -7.943 -16.490 6.714 1.00 0.00 H new ATOM 0 HA THR B 67 -6.197 -14.311 6.988 1.00 0.00 H new ATOM 0 HB THR B 67 -8.401 -15.214 8.881 1.00 0.00 H new ATOM 0 HG1 THR B 67 -9.746 -13.856 7.518 1.00 0.00 H new ATOM 0 HG21 THR B 67 -8.637 -12.803 9.353 1.00 0.00 H new ATOM 0 HG22 THR B 67 -7.011 -13.398 9.765 1.00 0.00 H new ATOM 0 HG23 THR B 67 -7.264 -12.463 8.272 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.686 -14.687 8.921 1.00 0.00 N ATOM 2237 CA GLY B 68 -3.731 -14.967 9.977 1.00 0.00 C ATOM 2238 C GLY B 68 -2.498 -15.689 9.469 1.00 0.00 C ATOM 2239 O GLY B 68 -1.467 -15.717 10.141 1.00 0.00 O ATOM 0 H GLY B 68 -4.468 -13.868 8.353 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -3.431 -14.031 10.449 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -4.211 -15.572 10.746 1.00 0.00 H new ATOM 2243 N SER B 69 -2.606 -16.273 8.280 1.00 0.00 N ATOM 2244 CA SER B 69 -1.491 -17.000 7.681 1.00 0.00 C ATOM 2245 C SER B 69 -0.535 -16.045 6.973 1.00 0.00 C ATOM 2246 O SER B 69 -0.914 -14.934 6.603 1.00 0.00 O ATOM 2247 CB SER B 69 -2.010 -18.045 6.692 1.00 0.00 C ATOM 2248 OG SER B 69 -0.941 -18.763 6.102 1.00 0.00 O ATOM 0 H SER B 69 -3.453 -16.257 7.712 1.00 0.00 H new ATOM 0 HA SER B 69 -0.947 -17.503 8.480 1.00 0.00 H new ATOM 0 HB2 SER B 69 -2.677 -18.737 7.206 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.596 -17.555 5.915 1.00 0.00 H new ATOM 0 HG SER B 69 -1.299 -19.426 5.475 1.00 0.00 H new ATOM 2254 N LEU B 70 0.705 -16.488 6.791 1.00 0.00 N ATOM 2255 CA LEU B 70 1.719 -15.676 6.126 1.00 0.00 C ATOM 2256 C LEU B 70 1.579 -15.769 4.610 1.00 0.00 C ATOM 2257 O LEU B 70 1.075 -16.762 4.085 1.00 0.00 O ATOM 2258 CB LEU B 70 3.123 -16.123 6.544 1.00 0.00 C ATOM 2259 CG LEU B 70 3.542 -15.737 7.965 1.00 0.00 C ATOM 2260 CD1 LEU B 70 2.732 -16.505 9.000 1.00 0.00 C ATOM 2261 CD2 LEU B 70 5.029 -15.987 8.159 1.00 0.00 C ATOM 0 H LEU B 70 1.032 -17.405 7.095 1.00 0.00 H new ATOM 0 HA LEU B 70 1.571 -14.639 6.428 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.184 -17.207 6.448 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.843 -15.700 5.844 1.00 0.00 H new ATOM 0 HG LEU B 70 3.343 -14.674 8.104 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.049 -16.212 10.001 1.00 0.00 H new ATOM 0 HD12 LEU B 70 1.673 -16.279 8.874 1.00 0.00 H new ATOM 0 HD13 LEU B 70 2.893 -17.575 8.867 1.00 0.00 H new ATOM 0 HD21 LEU B 70 5.315 -15.709 9.173 1.00 0.00 H new ATOM 0 HD22 LEU B 70 5.244 -17.043 7.998 1.00 0.00 H new ATOM 0 HD23 LEU B 70 5.595 -15.388 7.445 1.00 0.00 H new ATOM 2273 N ILE B 71 2.027 -14.730 3.911 1.00 0.00 N ATOM 2274 CA ILE B 71 1.951 -14.704 2.455 1.00 0.00 C ATOM 2275 C ILE B 71 3.311 -14.410 1.821 1.00 0.00 C ATOM 2276 O ILE B 71 3.739 -15.114 0.907 1.00 0.00 O ATOM 2277 CB ILE B 71 0.922 -13.665 1.964 1.00 0.00 C ATOM 2278 CG1 ILE B 71 1.170 -12.306 2.627 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.492 -14.151 2.248 1.00 0.00 C ATOM 2280 CD1 ILE B 71 0.277 -11.200 2.106 1.00 0.00 C ATOM 0 H ILE B 71 2.445 -13.898 4.328 1.00 0.00 H new ATOM 0 HA ILE B 71 1.629 -15.698 2.144 1.00 0.00 H new ATOM 0 HB ILE B 71 1.037 -13.543 0.887 1.00 0.00 H new ATOM 0 HG12 ILE B 71 1.021 -12.404 3.702 1.00 0.00 H new ATOM 0 HG13 ILE B 71 2.211 -12.022 2.474 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.209 -13.409 1.897 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.663 -15.095 1.730 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -0.618 -14.298 3.321 1.00 0.00 H new ATOM 0 HD11 ILE B 71 0.511 -10.269 2.623 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.442 -11.073 1.036 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -0.766 -11.461 2.284 1.00 0.00 H new ATOM 2292 N MET B 72 3.986 -13.370 2.308 1.00 0.00 N ATOM 2293 CA MET B 72 5.292 -12.994 1.775 1.00 0.00 C ATOM 2294 C MET B 72 5.985 -11.972 2.673 1.00 0.00 C ATOM 2295 O MET B 72 5.341 -11.085 3.231 1.00 0.00 O ATOM 2296 CB MET B 72 5.138 -12.428 0.360 1.00 0.00 C ATOM 2297 CG MET B 72 4.162 -11.267 0.271 1.00 0.00 C ATOM 2298 SD MET B 72 3.500 -11.039 -1.393 1.00 0.00 S ATOM 2299 CE MET B 72 5.008 -10.858 -2.342 1.00 0.00 C ATOM 0 H MET B 72 3.651 -12.776 3.067 1.00 0.00 H new ATOM 0 HA MET B 72 5.912 -13.890 1.741 1.00 0.00 H new ATOM 0 HB2 MET B 72 6.113 -12.100 0.001 1.00 0.00 H new ATOM 0 HB3 MET B 72 4.804 -13.224 -0.306 1.00 0.00 H new ATOM 0 HG2 MET B 72 3.339 -11.436 0.965 1.00 0.00 H new ATOM 0 HG3 MET B 72 4.663 -10.352 0.587 1.00 0.00 H new ATOM 0 HE1 MET B 72 4.891 -10.046 -3.060 1.00 0.00 H new ATOM 0 HE2 MET B 72 5.836 -10.631 -1.670 1.00 0.00 H new ATOM 0 HE3 MET B 72 5.217 -11.786 -2.874 1.00 0.00 H new ATOM 2309 N ILE B 73 7.302 -12.107 2.807 1.00 0.00 N ATOM 2310 CA ILE B 73 8.088 -11.194 3.630 1.00 0.00 C ATOM 2311 C ILE B 73 8.918 -10.263 2.750 1.00 0.00 C ATOM 2312 O ILE B 73 9.379 -10.660 1.680 1.00 0.00 O ATOM 2313 CB ILE B 73 9.021 -11.962 4.587 1.00 0.00 C ATOM 2314 CG1 ILE B 73 8.236 -13.037 5.344 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.687 -11.001 5.562 1.00 0.00 C ATOM 2316 CD1 ILE B 73 9.101 -13.932 6.207 1.00 0.00 C ATOM 0 H ILE B 73 7.847 -12.841 2.355 1.00 0.00 H new ATOM 0 HA ILE B 73 7.389 -10.606 4.225 1.00 0.00 H new ATOM 0 HB ILE B 73 9.799 -12.450 4.000 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.489 -12.553 5.973 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.696 -13.653 4.625 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.343 -11.558 6.231 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.273 -10.268 5.007 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.923 -10.488 6.146 1.00 0.00 H new ATOM 0 HD11 ILE B 73 8.474 -14.667 6.711 1.00 0.00 H new ATOM 0 HD12 ILE B 73 9.831 -14.445 5.581 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.621 -13.328 6.950 1.00 0.00 H new ATOM 2328 N PHE B 74 9.108 -9.023 3.201 1.00 0.00 N ATOM 2329 CA PHE B 74 9.873 -8.047 2.429 1.00 0.00 C ATOM 2330 C PHE B 74 11.106 -7.570 3.188 1.00 0.00 C ATOM 2331 O PHE B 74 11.007 -7.119 4.327 1.00 0.00 O ATOM 2332 CB PHE B 74 8.998 -6.844 2.078 1.00 0.00 C ATOM 2333 CG PHE B 74 7.737 -7.205 1.346 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.793 -7.801 0.097 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.497 -6.945 1.907 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.635 -8.133 -0.578 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.335 -7.273 1.236 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.404 -7.869 -0.008 1.00 0.00 C ATOM 0 H PHE B 74 8.746 -8.674 4.088 1.00 0.00 H new ATOM 0 HA PHE B 74 10.202 -8.542 1.516 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.736 -6.317 2.995 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.577 -6.152 1.466 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.752 -8.008 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.438 -6.480 2.880 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.691 -8.599 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.374 -7.064 1.683 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.497 -8.128 -0.535 1.00 0.00 H new ATOM 2348 N GLU B 75 12.265 -7.670 2.543 1.00 0.00 N ATOM 2349 CA GLU B 75 13.515 -7.228 3.149 1.00 0.00 C ATOM 2350 C GLU B 75 13.771 -5.768 2.792 1.00 0.00 C ATOM 2351 O GLU B 75 14.355 -5.463 1.753 1.00 0.00 O ATOM 2352 CB GLU B 75 14.680 -8.102 2.676 1.00 0.00 C ATOM 2353 CG GLU B 75 16.009 -7.747 3.322 1.00 0.00 C ATOM 2354 CD GLU B 75 17.144 -8.633 2.845 1.00 0.00 C ATOM 2355 OE1 GLU B 75 17.359 -9.702 3.452 1.00 0.00 O ATOM 2356 OE2 GLU B 75 17.818 -8.255 1.864 1.00 0.00 O ATOM 0 H GLU B 75 12.363 -8.053 1.603 1.00 0.00 H new ATOM 0 HA GLU B 75 13.435 -7.322 4.232 1.00 0.00 H new ATOM 0 HB2 GLU B 75 14.450 -9.146 2.889 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.776 -8.011 1.594 1.00 0.00 H new ATOM 0 HG2 GLU B 75 16.249 -6.706 3.103 1.00 0.00 H new ATOM 0 HG3 GLU B 75 15.917 -7.832 4.405 1.00 0.00 H new ATOM 2363 N VAL B 76 13.322 -4.872 3.663 1.00 0.00 N ATOM 2364 CA VAL B 76 13.476 -3.439 3.441 1.00 0.00 C ATOM 2365 C VAL B 76 14.664 -2.881 4.215 1.00 0.00 C ATOM 2366 O VAL B 76 15.117 -3.476 5.192 1.00 0.00 O ATOM 2367 CB VAL B 76 12.190 -2.686 3.846 1.00 0.00 C ATOM 2368 CG1 VAL B 76 10.967 -3.489 3.438 1.00 0.00 C ATOM 2369 CG2 VAL B 76 12.162 -2.406 5.341 1.00 0.00 C ATOM 0 H VAL B 76 12.847 -5.114 4.533 1.00 0.00 H new ATOM 0 HA VAL B 76 13.659 -3.290 2.377 1.00 0.00 H new ATOM 0 HB VAL B 76 12.179 -1.728 3.326 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.065 -2.950 3.728 1.00 0.00 H new ATOM 0 HG12 VAL B 76 10.971 -3.635 2.358 1.00 0.00 H new ATOM 0 HG13 VAL B 76 10.986 -4.459 3.935 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.244 -1.875 5.595 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.199 -3.348 5.888 1.00 0.00 H new ATOM 0 HG23 VAL B 76 13.022 -1.794 5.613 1.00 0.00 H new