USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 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 -39:sc= 0.0336 USER MOD Single : A 44 MET CE :methyl -161:sc= 0 (180deg=-0.0029) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0533 (180deg=-0.358) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= -0.247 (180deg=-2.46!) USER MOD Single : A 60 ASN : amide:sc= -0.766 K(o=-0.77,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0114 (180deg=-0.206) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= -0.0509 (180deg=-0.38) USER MOD Single : A 67 THR OG1 : rot 32:sc= 0.365 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -138:sc= -0.967 (180deg=-1.58) USER MOD Single : B 43 SER OG : rot 29:sc= 0.132 USER MOD Single : B 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ -165:sc= -0.0665 (180deg=-0.29) USER MOD Single : B 58 LYS NZ :NH3+ -109:sc= -0.196 (180deg=-2.07!) USER MOD Single : B 60 ASN : amide:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : B 64 LYS NZ :NH3+ -166:sc= -0.0296 (180deg=-0.233) USER MOD Single : B 66 LYS NZ :NH3+ -165:sc= -0.0217 (180deg=-0.307) USER MOD Single : B 67 THR OG1 : rot 28:sc= 0.365 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 MET CE :methyl -156:sc= -0.458 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 13.246 -6.734 7.911 1.00 0.00 N ATOM 582 CA SER A 43 12.198 -7.493 7.231 1.00 0.00 C ATOM 583 C SER A 43 10.966 -7.671 8.116 1.00 0.00 C ATOM 584 O SER A 43 11.081 -7.815 9.334 1.00 0.00 O ATOM 585 CB SER A 43 12.734 -8.861 6.806 1.00 0.00 C ATOM 586 OG SER A 43 13.113 -9.633 7.932 1.00 0.00 O ATOM 0 HA SER A 43 11.898 -6.927 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.972 -9.393 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.591 -8.730 6.146 1.00 0.00 H new ATOM 0 HG SER A 43 13.543 -9.054 8.596 1.00 0.00 H new ATOM 592 N MET A 44 9.787 -7.663 7.493 1.00 0.00 N ATOM 593 CA MET A 44 8.534 -7.827 8.220 1.00 0.00 C ATOM 594 C MET A 44 7.562 -8.706 7.437 1.00 0.00 C ATOM 595 O MET A 44 7.174 -8.375 6.316 1.00 0.00 O ATOM 596 CB MET A 44 7.895 -6.464 8.493 1.00 0.00 C ATOM 597 CG MET A 44 6.565 -6.555 9.222 1.00 0.00 C ATOM 598 SD MET A 44 6.703 -7.388 10.813 1.00 0.00 S ATOM 599 CE MET A 44 4.975 -7.630 11.209 1.00 0.00 C ATOM 0 H MET A 44 9.677 -7.544 6.486 1.00 0.00 H new ATOM 0 HA MET A 44 8.756 -8.314 9.169 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.584 -5.860 9.084 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.747 -5.944 7.546 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.169 -5.551 9.375 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.848 -7.089 8.598 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.869 -7.816 12.278 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.411 -6.737 10.938 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.590 -8.485 10.653 1.00 0.00 H new ATOM 609 N GLU A 45 7.174 -9.826 8.038 1.00 0.00 N ATOM 610 CA GLU A 45 6.244 -10.755 7.406 1.00 0.00 C ATOM 611 C GLU A 45 4.814 -10.227 7.480 1.00 0.00 C ATOM 612 O GLU A 45 4.297 -9.960 8.565 1.00 0.00 O ATOM 613 CB GLU A 45 6.328 -12.123 8.085 1.00 0.00 C ATOM 614 CG GLU A 45 7.744 -12.670 8.173 1.00 0.00 C ATOM 615 CD GLU A 45 7.813 -14.001 8.896 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.982 -13.997 10.134 1.00 0.00 O ATOM 617 OE2 GLU A 45 7.700 -15.048 8.223 1.00 0.00 O ATOM 0 H GLU A 45 7.490 -10.113 8.964 1.00 0.00 H new ATOM 0 HA GLU A 45 6.521 -10.855 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.913 -12.047 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.707 -12.831 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.147 -12.786 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.377 -11.948 8.689 1.00 0.00 H new ATOM 624 N VAL A 46 4.180 -10.076 6.319 1.00 0.00 N ATOM 625 CA VAL A 46 2.810 -9.580 6.256 1.00 0.00 C ATOM 626 C VAL A 46 1.811 -10.733 6.160 1.00 0.00 C ATOM 627 O VAL A 46 2.070 -11.731 5.487 1.00 0.00 O ATOM 628 CB VAL A 46 2.607 -8.636 5.054 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.472 -7.394 5.199 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.912 -9.356 3.748 1.00 0.00 C ATOM 0 H VAL A 46 4.594 -10.290 5.411 1.00 0.00 H new ATOM 0 HA VAL A 46 2.632 -9.025 7.177 1.00 0.00 H new ATOM 0 HB VAL A 46 1.563 -8.325 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.316 -6.739 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.200 -6.866 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.521 -7.685 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.763 -8.672 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.946 -9.700 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.246 -10.212 3.640 1.00 0.00 H new ATOM 640 N PRO A 47 0.652 -10.616 6.837 1.00 0.00 N ATOM 641 CA PRO A 47 -0.380 -11.637 6.828 1.00 0.00 C ATOM 642 C PRO A 47 -1.540 -11.288 5.900 1.00 0.00 C ATOM 643 O PRO A 47 -1.636 -10.166 5.404 1.00 0.00 O ATOM 644 CB PRO A 47 -0.839 -11.602 8.283 1.00 0.00 C ATOM 645 CG PRO A 47 -0.688 -10.166 8.700 1.00 0.00 C ATOM 646 CD PRO A 47 0.261 -9.507 7.718 1.00 0.00 C ATOM 0 HA PRO A 47 -0.025 -12.604 6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.872 -11.935 8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.232 -12.260 8.905 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.654 -9.662 8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.297 -10.100 9.715 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.226 -8.704 7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.123 -9.069 8.222 1.00 0.00 H new ATOM 654 N ALA A 48 -2.419 -12.259 5.666 1.00 0.00 N ATOM 655 CA ALA A 48 -3.572 -12.047 4.798 1.00 0.00 C ATOM 656 C ALA A 48 -4.730 -11.415 5.571 1.00 0.00 C ATOM 657 O ALA A 48 -4.939 -11.722 6.745 1.00 0.00 O ATOM 658 CB ALA A 48 -4.006 -13.359 4.162 1.00 0.00 C ATOM 0 H ALA A 48 -2.355 -13.196 6.064 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.279 -11.357 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.867 -13.184 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.186 -13.765 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.276 -14.070 4.943 1.00 0.00 H new ATOM 664 N PRO A 49 -5.498 -10.521 4.921 1.00 0.00 N ATOM 665 CA PRO A 49 -6.633 -9.844 5.560 1.00 0.00 C ATOM 666 C PRO A 49 -7.829 -10.767 5.779 1.00 0.00 C ATOM 667 O PRO A 49 -8.455 -10.741 6.838 1.00 0.00 O ATOM 668 CB PRO A 49 -6.985 -8.735 4.568 1.00 0.00 C ATOM 669 CG PRO A 49 -6.535 -9.252 3.246 1.00 0.00 C ATOM 670 CD PRO A 49 -5.321 -10.096 3.517 1.00 0.00 C ATOM 0 HA PRO A 49 -6.378 -9.483 6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.055 -8.528 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.480 -7.803 4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.320 -9.840 2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.296 -8.432 2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.269 -10.951 2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.400 -9.528 3.383 1.00 0.00 H new ATOM 678 N PHE A 50 -8.145 -11.579 4.773 1.00 0.00 N ATOM 679 CA PHE A 50 -9.274 -12.503 4.866 1.00 0.00 C ATOM 680 C PHE A 50 -9.001 -13.785 4.088 1.00 0.00 C ATOM 681 O PHE A 50 -8.238 -13.785 3.121 1.00 0.00 O ATOM 682 CB PHE A 50 -10.553 -11.841 4.342 1.00 0.00 C ATOM 683 CG PHE A 50 -10.518 -11.544 2.866 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.745 -10.504 2.374 1.00 0.00 C ATOM 685 CD2 PHE A 50 -11.256 -12.305 1.971 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.708 -10.228 1.021 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.222 -12.034 0.616 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.445 -10.995 0.141 1.00 0.00 C ATOM 0 H PHE A 50 -7.639 -11.617 3.888 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.408 -12.759 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.401 -12.492 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.721 -10.912 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.164 -9.902 3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.864 -13.119 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.103 -9.413 0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.802 -12.633 -0.070 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.414 -10.783 -0.918 1.00 0.00 H new ATOM 698 N ALA A 51 -9.627 -14.877 4.516 1.00 0.00 N ATOM 699 CA ALA A 51 -9.462 -16.163 3.852 1.00 0.00 C ATOM 700 C ALA A 51 -10.028 -16.110 2.439 1.00 0.00 C ATOM 701 O ALA A 51 -10.968 -15.363 2.168 1.00 0.00 O ATOM 702 CB ALA A 51 -10.139 -17.263 4.653 1.00 0.00 C ATOM 0 H ALA A 51 -10.254 -14.896 5.321 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.397 -16.385 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.007 -18.218 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.693 -17.317 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.203 -17.045 4.744 1.00 0.00 H new ATOM 708 N GLY A 52 -9.459 -16.907 1.541 1.00 0.00 N ATOM 709 CA GLY A 52 -9.931 -16.915 0.168 1.00 0.00 C ATOM 710 C GLY A 52 -9.184 -17.895 -0.710 1.00 0.00 C ATOM 711 O GLY A 52 -8.572 -18.841 -0.218 1.00 0.00 O ATOM 0 H GLY A 52 -8.686 -17.543 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.993 -17.162 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.832 -15.913 -0.250 1.00 0.00 H new ATOM 715 N VAL A 53 -9.247 -17.668 -2.017 1.00 0.00 N ATOM 716 CA VAL A 53 -8.573 -18.527 -2.979 1.00 0.00 C ATOM 717 C VAL A 53 -7.787 -17.692 -3.984 1.00 0.00 C ATOM 718 O VAL A 53 -8.224 -16.611 -4.380 1.00 0.00 O ATOM 719 CB VAL A 53 -9.575 -19.421 -3.737 1.00 0.00 C ATOM 720 CG1 VAL A 53 -8.843 -20.413 -4.628 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.491 -20.145 -2.761 1.00 0.00 C ATOM 0 H VAL A 53 -9.761 -16.892 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.890 -19.165 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.190 -18.784 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.568 -21.034 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.236 -19.871 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.200 -21.045 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.191 -20.771 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.894 -20.769 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.045 -19.414 -2.172 1.00 0.00 H new ATOM 731 N VAL A 54 -6.627 -18.194 -4.394 1.00 0.00 N ATOM 732 CA VAL A 54 -5.787 -17.484 -5.351 1.00 0.00 C ATOM 733 C VAL A 54 -6.403 -17.515 -6.747 1.00 0.00 C ATOM 734 O VAL A 54 -6.587 -18.582 -7.334 1.00 0.00 O ATOM 735 CB VAL A 54 -4.366 -18.080 -5.409 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.545 -17.423 -6.509 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.674 -17.930 -4.064 1.00 0.00 C ATOM 0 H VAL A 54 -6.248 -19.087 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.720 -16.451 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.451 -19.142 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.547 -17.861 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.031 -17.584 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.468 -16.353 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.672 -18.355 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.605 -16.873 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.248 -18.454 -3.299 1.00 0.00 H new ATOM 747 N LYS A 55 -6.720 -16.334 -7.271 1.00 0.00 N ATOM 748 CA LYS A 55 -7.316 -16.217 -8.597 1.00 0.00 C ATOM 749 C LYS A 55 -6.247 -16.294 -9.683 1.00 0.00 C ATOM 750 O LYS A 55 -6.269 -17.192 -10.526 1.00 0.00 O ATOM 751 CB LYS A 55 -8.089 -14.902 -8.716 1.00 0.00 C ATOM 752 CG LYS A 55 -8.745 -14.699 -10.074 1.00 0.00 C ATOM 753 CD LYS A 55 -9.458 -13.359 -10.154 1.00 0.00 C ATOM 754 CE LYS A 55 -10.055 -13.125 -11.532 1.00 0.00 C ATOM 755 NZ LYS A 55 -9.016 -13.157 -12.600 1.00 0.00 N ATOM 0 H LYS A 55 -6.573 -15.443 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.006 -17.050 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.857 -14.871 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.409 -14.072 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.989 -14.757 -10.857 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.457 -15.503 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.247 -13.321 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.757 -12.558 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.808 -13.886 -11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.563 -12.161 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.393 -12.719 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.176 -12.632 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.753 -14.143 -12.799 1.00 0.00 H new ATOM 769 N GLU A 56 -5.313 -15.347 -9.657 1.00 0.00 N ATOM 770 CA GLU A 56 -4.236 -15.307 -10.641 1.00 0.00 C ATOM 771 C GLU A 56 -3.063 -14.468 -10.140 1.00 0.00 C ATOM 772 O GLU A 56 -3.250 -13.372 -9.611 1.00 0.00 O ATOM 773 CB GLU A 56 -4.753 -14.745 -11.967 1.00 0.00 C ATOM 774 CG GLU A 56 -3.691 -14.660 -13.051 1.00 0.00 C ATOM 775 CD GLU A 56 -4.242 -14.144 -14.366 1.00 0.00 C ATOM 776 OE1 GLU A 56 -4.762 -14.962 -15.153 1.00 0.00 O ATOM 777 OE2 GLU A 56 -4.154 -12.922 -14.608 1.00 0.00 O ATOM 0 H GLU A 56 -5.280 -14.598 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.883 -16.327 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.572 -15.371 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.163 -13.750 -11.794 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.887 -14.005 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.255 -15.647 -13.206 1.00 0.00 H new ATOM 784 N LEU A 57 -1.855 -14.996 -10.312 1.00 0.00 N ATOM 785 CA LEU A 57 -0.644 -14.303 -9.886 1.00 0.00 C ATOM 786 C LEU A 57 -0.324 -13.144 -10.825 1.00 0.00 C ATOM 787 O LEU A 57 -0.499 -13.250 -12.039 1.00 0.00 O ATOM 788 CB LEU A 57 0.530 -15.287 -9.834 1.00 0.00 C ATOM 789 CG LEU A 57 1.900 -14.667 -9.548 1.00 0.00 C ATOM 790 CD1 LEU A 57 2.753 -15.621 -8.723 1.00 0.00 C ATOM 791 CD2 LEU A 57 2.609 -14.314 -10.848 1.00 0.00 C ATOM 0 H LEU A 57 -1.689 -15.904 -10.745 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.810 -13.895 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.322 -16.033 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.581 -15.814 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 57 1.750 -13.751 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.724 -15.165 -8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.254 -15.830 -7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.893 -16.552 -9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.581 -13.874 -10.625 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.747 -15.216 -11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.007 -13.598 -11.408 1.00 0.00 H new ATOM 803 N LYS A 58 0.146 -12.036 -10.255 1.00 0.00 N ATOM 804 CA LYS A 58 0.491 -10.858 -11.047 1.00 0.00 C ATOM 805 C LYS A 58 1.926 -10.409 -10.777 1.00 0.00 C ATOM 806 O LYS A 58 2.479 -9.599 -11.523 1.00 0.00 O ATOM 807 CB LYS A 58 -0.478 -9.713 -10.742 1.00 0.00 C ATOM 808 CG LYS A 58 -0.422 -9.234 -9.300 1.00 0.00 C ATOM 809 CD LYS A 58 -1.348 -8.049 -9.063 1.00 0.00 C ATOM 810 CE LYS A 58 -2.811 -8.446 -9.184 1.00 0.00 C ATOM 811 NZ LYS A 58 -3.722 -7.303 -8.903 1.00 0.00 N ATOM 0 H LYS A 58 0.296 -11.930 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 58 0.411 -11.128 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.256 -8.875 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.493 -10.038 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.699 -10.051 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.601 -8.952 -9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.164 -7.636 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.124 -7.262 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.003 -8.824 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.025 -9.259 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.273 -7.502 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.161 -6.439 -8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.369 -7.169 -9.706 1.00 0.00 H new ATOM 825 N VAL A 59 2.526 -10.936 -9.712 1.00 0.00 N ATOM 826 CA VAL A 59 3.895 -10.580 -9.353 1.00 0.00 C ATOM 827 C VAL A 59 4.807 -11.805 -9.344 1.00 0.00 C ATOM 828 O VAL A 59 4.418 -12.879 -8.888 1.00 0.00 O ATOM 829 CB VAL A 59 3.954 -9.897 -7.973 1.00 0.00 C ATOM 830 CG1 VAL A 59 3.249 -8.550 -8.013 1.00 0.00 C ATOM 831 CG2 VAL A 59 3.344 -10.791 -6.904 1.00 0.00 C ATOM 0 H VAL A 59 2.086 -11.609 -9.085 1.00 0.00 H new ATOM 0 HA VAL A 59 4.246 -9.881 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 59 5.001 -9.729 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.301 -8.083 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.735 -7.907 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.205 -8.694 -8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.396 -10.290 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.302 -10.995 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.896 -11.730 -6.856 1.00 0.00 H new ATOM 841 N ASN A 60 6.025 -11.629 -9.847 1.00 0.00 N ATOM 842 CA ASN A 60 6.999 -12.714 -9.902 1.00 0.00 C ATOM 843 C ASN A 60 8.025 -12.581 -8.781 1.00 0.00 C ATOM 844 O ASN A 60 8.314 -11.476 -8.320 1.00 0.00 O ATOM 845 CB ASN A 60 7.708 -12.718 -11.260 1.00 0.00 C ATOM 846 CG ASN A 60 6.743 -12.630 -12.431 1.00 0.00 C ATOM 847 OD1 ASN A 60 7.049 -12.013 -13.450 1.00 0.00 O ATOM 848 ND2 ASN A 60 5.576 -13.251 -12.296 1.00 0.00 N ATOM 0 H ASN A 60 6.362 -10.743 -10.223 1.00 0.00 H new ATOM 0 HA ASN A 60 6.467 -13.656 -9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.402 -11.879 -11.304 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.301 -13.628 -11.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.895 -13.227 -13.055 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.362 -13.752 -11.434 1.00 0.00 H new ATOM 855 N VAL A 61 8.569 -13.714 -8.344 1.00 0.00 N ATOM 856 CA VAL A 61 9.564 -13.727 -7.275 1.00 0.00 C ATOM 857 C VAL A 61 10.718 -12.777 -7.584 1.00 0.00 C ATOM 858 O VAL A 61 11.409 -12.931 -8.591 1.00 0.00 O ATOM 859 CB VAL A 61 10.129 -15.142 -7.049 1.00 0.00 C ATOM 860 CG1 VAL A 61 11.089 -15.154 -5.868 1.00 0.00 C ATOM 861 CG2 VAL A 61 9.001 -16.140 -6.838 1.00 0.00 C ATOM 0 H VAL A 61 8.337 -14.636 -8.714 1.00 0.00 H new ATOM 0 HA VAL A 61 9.056 -13.396 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 61 10.683 -15.437 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.477 -16.162 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.916 -14.471 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.562 -14.837 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.419 -17.134 -6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.417 -15.849 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.357 -16.153 -7.718 1.00 0.00 H new ATOM 871 N GLY A 62 10.918 -11.796 -6.710 1.00 0.00 N ATOM 872 CA GLY A 62 11.987 -10.834 -6.905 1.00 0.00 C ATOM 873 C GLY A 62 11.485 -9.516 -7.455 1.00 0.00 C ATOM 874 O GLY A 62 12.270 -8.696 -7.934 1.00 0.00 O ATOM 0 H GLY A 62 10.359 -11.650 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.492 -10.659 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.727 -11.251 -7.588 1.00 0.00 H new ATOM 878 N ASP A 63 10.174 -9.311 -7.387 1.00 0.00 N ATOM 879 CA ASP A 63 9.566 -8.083 -7.886 1.00 0.00 C ATOM 880 C ASP A 63 9.185 -7.153 -6.738 1.00 0.00 C ATOM 881 O ASP A 63 8.161 -7.345 -6.084 1.00 0.00 O ATOM 882 CB ASP A 63 8.329 -8.404 -8.726 1.00 0.00 C ATOM 883 CG ASP A 63 7.659 -7.156 -9.266 1.00 0.00 C ATOM 884 OD1 ASP A 63 8.033 -6.713 -10.372 1.00 0.00 O ATOM 885 OD2 ASP A 63 6.762 -6.621 -8.582 1.00 0.00 O ATOM 0 H ASP A 63 9.512 -9.979 -6.991 1.00 0.00 H new ATOM 0 HA ASP A 63 10.301 -7.576 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.615 -9.049 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.616 -8.963 -8.120 1.00 0.00 H new ATOM 890 N LYS A 64 10.023 -6.147 -6.502 1.00 0.00 N ATOM 891 CA LYS A 64 9.785 -5.174 -5.440 1.00 0.00 C ATOM 892 C LYS A 64 8.352 -4.645 -5.481 1.00 0.00 C ATOM 893 O LYS A 64 7.716 -4.622 -6.535 1.00 0.00 O ATOM 894 CB LYS A 64 10.781 -4.014 -5.551 1.00 0.00 C ATOM 895 CG LYS A 64 10.840 -3.374 -6.930 1.00 0.00 C ATOM 896 CD LYS A 64 9.771 -2.306 -7.105 1.00 0.00 C ATOM 897 CE LYS A 64 9.826 -1.684 -8.491 1.00 0.00 C ATOM 898 NZ LYS A 64 11.133 -1.022 -8.752 1.00 0.00 N ATOM 0 H LYS A 64 10.877 -5.984 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 64 9.929 -5.678 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.516 -3.251 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.775 -4.376 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.824 -2.931 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.714 -4.142 -7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.787 -2.745 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.904 -1.530 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.654 -2.455 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.023 -0.954 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.053 -0.415 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.399 -0.442 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.862 -1.745 -8.915 1.00 0.00 H new ATOM 912 N VAL A 65 7.853 -4.224 -4.323 1.00 0.00 N ATOM 913 CA VAL A 65 6.498 -3.697 -4.213 1.00 0.00 C ATOM 914 C VAL A 65 6.516 -2.227 -3.802 1.00 0.00 C ATOM 915 O VAL A 65 7.529 -1.722 -3.315 1.00 0.00 O ATOM 916 CB VAL A 65 5.676 -4.502 -3.185 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.097 -4.155 -1.764 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.186 -4.266 -3.381 1.00 0.00 C ATOM 0 H VAL A 65 8.370 -4.238 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 65 6.032 -3.788 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 65 5.875 -5.561 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.504 -4.735 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.153 -4.390 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.936 -3.092 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.626 -4.844 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.966 -3.206 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.897 -4.579 -4.384 1.00 0.00 H new ATOM 928 N LYS A 66 5.393 -1.545 -4.000 1.00 0.00 N ATOM 929 CA LYS A 66 5.283 -0.135 -3.642 1.00 0.00 C ATOM 930 C LYS A 66 3.913 0.168 -3.045 1.00 0.00 C ATOM 931 O LYS A 66 2.923 -0.485 -3.373 1.00 0.00 O ATOM 932 CB LYS A 66 5.527 0.747 -4.868 1.00 0.00 C ATOM 933 CG LYS A 66 6.952 0.673 -5.394 1.00 0.00 C ATOM 934 CD LYS A 66 7.150 1.579 -6.599 1.00 0.00 C ATOM 935 CE LYS A 66 8.601 1.588 -7.052 1.00 0.00 C ATOM 936 NZ LYS A 66 9.514 2.075 -5.981 1.00 0.00 N ATOM 0 H LYS A 66 4.547 -1.945 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 66 6.043 0.084 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.840 0.452 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.295 1.781 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.647 0.959 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.186 -0.355 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.514 1.243 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.839 2.593 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.895 0.581 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.703 2.223 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.423 2.356 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.085 2.894 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.673 1.316 -5.288 1.00 0.00 H new ATOM 950 N THR A 67 3.866 1.163 -2.164 1.00 0.00 N ATOM 951 CA THR A 67 2.619 1.555 -1.519 1.00 0.00 C ATOM 952 C THR A 67 1.573 1.970 -2.548 1.00 0.00 C ATOM 953 O THR A 67 1.804 2.874 -3.350 1.00 0.00 O ATOM 954 CB THR A 67 2.837 2.716 -0.530 1.00 0.00 C ATOM 955 OG1 THR A 67 3.354 3.859 -1.222 1.00 0.00 O ATOM 956 CG2 THR A 67 3.800 2.312 0.575 1.00 0.00 C ATOM 0 H THR A 67 4.678 1.712 -1.881 1.00 0.00 H new ATOM 0 HA THR A 67 2.261 0.683 -0.971 1.00 0.00 H new ATOM 0 HB THR A 67 1.876 2.966 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.999 3.877 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.938 3.148 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.393 1.460 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.761 2.038 0.138 1.00 0.00 H new ATOM 964 N GLY A 68 0.424 1.303 -2.517 1.00 0.00 N ATOM 965 CA GLY A 68 -0.641 1.617 -3.451 1.00 0.00 C ATOM 966 C GLY A 68 -0.730 0.617 -4.588 1.00 0.00 C ATOM 967 O GLY A 68 -1.621 0.705 -5.432 1.00 0.00 O ATOM 0 H GLY A 68 0.211 0.551 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.592 1.642 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.479 2.614 -3.860 1.00 0.00 H new ATOM 971 N SER A 69 0.198 -0.335 -4.607 1.00 0.00 N ATOM 972 CA SER A 69 0.223 -1.357 -5.647 1.00 0.00 C ATOM 973 C SER A 69 -0.355 -2.671 -5.132 1.00 0.00 C ATOM 974 O SER A 69 0.033 -3.157 -4.069 1.00 0.00 O ATOM 975 CB SER A 69 1.655 -1.573 -6.141 1.00 0.00 C ATOM 976 OG SER A 69 1.704 -2.567 -7.149 1.00 0.00 O ATOM 0 H SER A 69 0.942 -0.420 -3.914 1.00 0.00 H new ATOM 0 HA SER A 69 -0.393 -1.012 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.053 -0.636 -6.531 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.290 -1.867 -5.306 1.00 0.00 H new ATOM 0 HG SER A 69 2.630 -2.684 -7.448 1.00 0.00 H new ATOM 982 N LEU A 70 -1.285 -3.243 -5.893 1.00 0.00 N ATOM 983 CA LEU A 70 -1.915 -4.501 -5.512 1.00 0.00 C ATOM 984 C LEU A 70 -0.907 -5.644 -5.550 1.00 0.00 C ATOM 985 O LEU A 70 0.135 -5.545 -6.198 1.00 0.00 O ATOM 986 CB LEU A 70 -3.091 -4.811 -6.442 1.00 0.00 C ATOM 987 CG LEU A 70 -4.190 -3.746 -6.479 1.00 0.00 C ATOM 988 CD1 LEU A 70 -5.219 -4.084 -7.546 1.00 0.00 C ATOM 989 CD2 LEU A 70 -4.856 -3.617 -5.117 1.00 0.00 C ATOM 0 H LEU A 70 -1.618 -2.855 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.286 -4.399 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.707 -4.950 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.535 -5.758 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.734 -2.788 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.994 -3.318 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.732 -4.126 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.670 -5.051 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.634 -2.855 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.300 -4.572 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.112 -3.331 -4.374 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.224 -6.729 -4.851 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.343 -7.891 -4.804 1.00 0.00 C ATOM 1003 C ILE A 71 -1.054 -9.149 -5.294 1.00 0.00 C ATOM 1004 O ILE A 71 -0.554 -9.851 -6.173 1.00 0.00 O ATOM 1005 CB ILE A 71 0.198 -8.131 -3.381 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -0.937 -8.052 -2.354 1.00 0.00 C ATOM 1007 CG2 ILE A 71 1.288 -7.120 -3.057 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -0.507 -8.392 -0.941 1.00 0.00 C ATOM 0 H ILE A 71 -2.083 -6.828 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 71 0.494 -7.677 -5.468 1.00 0.00 H new ATOM 0 HB ILE A 71 0.629 -9.131 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.355 -7.045 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.735 -8.731 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.663 -7.299 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.105 -7.224 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.879 -6.112 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.364 -8.314 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.117 -9.409 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.269 -7.697 -0.620 1.00 0.00 H new ATOM 1020 N MET A 72 -2.223 -9.429 -4.724 1.00 0.00 N ATOM 1021 CA MET A 72 -3.000 -10.605 -5.105 1.00 0.00 C ATOM 1022 C MET A 72 -4.496 -10.317 -5.022 1.00 0.00 C ATOM 1023 O MET A 72 -4.913 -9.303 -4.461 1.00 0.00 O ATOM 1024 CB MET A 72 -2.648 -11.792 -4.205 1.00 0.00 C ATOM 1025 CG MET A 72 -1.219 -12.283 -4.372 1.00 0.00 C ATOM 1026 SD MET A 72 -0.875 -12.863 -6.044 1.00 0.00 S ATOM 1027 CE MET A 72 -2.019 -14.234 -6.170 1.00 0.00 C ATOM 0 H MET A 72 -2.653 -8.858 -3.997 1.00 0.00 H new ATOM 0 HA MET A 72 -2.751 -10.855 -6.136 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.806 -11.507 -3.165 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.332 -12.613 -4.418 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.530 -11.476 -4.123 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.032 -13.092 -3.665 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.527 -15.074 -6.660 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.340 -14.533 -5.172 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.887 -13.931 -6.755 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.299 -11.215 -5.586 1.00 0.00 N ATOM 1038 CA ILE A 73 -6.750 -11.060 -5.577 1.00 0.00 C ATOM 1039 C ILE A 73 -7.435 -12.368 -5.195 1.00 0.00 C ATOM 1040 O ILE A 73 -7.146 -13.419 -5.767 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.282 -10.611 -6.952 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.421 -9.480 -7.520 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -8.736 -10.173 -6.834 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -6.757 -9.125 -8.953 1.00 0.00 C ATOM 0 H ILE A 73 -4.969 -12.058 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.978 -10.292 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.228 -11.455 -7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.542 -8.594 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.372 -9.769 -7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.102 -9.858 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.339 -11.006 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.810 -9.341 -6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.108 -8.317 -9.289 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.608 -9.998 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.797 -8.805 -9.014 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.343 -12.299 -4.226 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.069 -13.481 -3.778 1.00 0.00 C ATOM 1058 C PHE A 74 -10.517 -13.462 -4.250 1.00 0.00 C ATOM 1059 O PHE A 74 -11.098 -12.399 -4.471 1.00 0.00 O ATOM 1060 CB PHE A 74 -9.031 -13.579 -2.256 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.646 -13.712 -1.706 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.961 -14.910 -1.814 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -7.029 -12.643 -1.082 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.683 -15.039 -1.312 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.750 -12.765 -0.576 1.00 0.00 C ATOM 1066 CZ PHE A 74 -5.076 -13.965 -0.690 1.00 0.00 C ATOM 0 H PHE A 74 -8.593 -11.439 -3.738 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.579 -14.351 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.500 -12.692 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.624 -14.437 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.433 -15.753 -2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.553 -11.703 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.158 -15.978 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.277 -11.923 -0.092 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.076 -14.064 -0.294 1.00 0.00 H new ATOM 1076 N GLU A 75 -11.090 -14.650 -4.401 1.00 0.00 N ATOM 1077 CA GLU A 75 -12.475 -14.789 -4.833 1.00 0.00 C ATOM 1078 C GLU A 75 -13.317 -15.396 -3.717 1.00 0.00 C ATOM 1079 O GLU A 75 -13.384 -16.617 -3.570 1.00 0.00 O ATOM 1080 CB GLU A 75 -12.557 -15.662 -6.086 1.00 0.00 C ATOM 1081 CG GLU A 75 -11.816 -15.087 -7.282 1.00 0.00 C ATOM 1082 CD GLU A 75 -11.893 -15.986 -8.501 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -12.873 -15.868 -9.264 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -10.973 -16.810 -8.690 1.00 0.00 O ATOM 0 H GLU A 75 -10.614 -15.535 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.865 -13.799 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.151 -16.648 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.605 -15.802 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.233 -14.110 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.771 -14.930 -7.016 1.00 0.00 H new ATOM 1091 N VAL A 76 -13.955 -14.535 -2.928 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.781 -14.987 -1.814 1.00 0.00 C ATOM 1093 C VAL A 76 -16.266 -14.981 -2.171 1.00 0.00 C ATOM 1094 O VAL A 76 -16.839 -13.939 -2.488 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.544 -14.118 -0.560 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -14.625 -12.639 -0.906 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -15.538 -14.468 0.540 1.00 0.00 C ATOM 0 H VAL A 76 -13.915 -13.522 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.485 -16.013 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.541 -14.328 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.455 -12.045 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.866 -12.397 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.612 -12.413 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.350 -13.842 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.553 -14.296 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.423 -15.517 0.814 1.00 0.00 H new ATOM 1853 N SER B 43 -15.113 -10.719 -5.157 1.00 0.00 N ATOM 1854 CA SER B 43 -13.657 -10.770 -5.194 1.00 0.00 C ATOM 1855 C SER B 43 -13.087 -9.407 -4.826 1.00 0.00 C ATOM 1856 O SER B 43 -13.509 -8.386 -5.369 1.00 0.00 O ATOM 1857 CB SER B 43 -13.167 -11.187 -6.581 1.00 0.00 C ATOM 1858 OG SER B 43 -13.612 -10.281 -7.575 1.00 0.00 O ATOM 0 HA SER B 43 -13.314 -11.511 -4.472 1.00 0.00 H new ATOM 0 HB2 SER B 43 -12.078 -11.231 -6.587 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.528 -12.189 -6.811 1.00 0.00 H new ATOM 0 HG SER B 43 -13.720 -9.390 -7.181 1.00 0.00 H new ATOM 1864 N MET B 44 -12.130 -9.387 -3.904 1.00 0.00 N ATOM 1865 CA MET B 44 -11.532 -8.134 -3.468 1.00 0.00 C ATOM 1866 C MET B 44 -10.021 -8.124 -3.681 1.00 0.00 C ATOM 1867 O MET B 44 -9.312 -9.025 -3.234 1.00 0.00 O ATOM 1868 CB MET B 44 -11.855 -7.886 -1.994 1.00 0.00 C ATOM 1869 CG MET B 44 -11.302 -6.575 -1.466 1.00 0.00 C ATOM 1870 SD MET B 44 -11.897 -5.151 -2.396 1.00 0.00 S ATOM 1871 CE MET B 44 -10.888 -3.852 -1.693 1.00 0.00 C ATOM 0 H MET B 44 -11.755 -10.219 -3.448 1.00 0.00 H new ATOM 0 HA MET B 44 -11.957 -7.334 -4.074 1.00 0.00 H new ATOM 0 HB2 MET B 44 -12.937 -7.895 -1.861 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.454 -8.706 -1.399 1.00 0.00 H new ATOM 0 HG2 MET B 44 -11.580 -6.463 -0.418 1.00 0.00 H new ATOM 0 HG3 MET B 44 -10.213 -6.602 -1.505 1.00 0.00 H new ATOM 0 HE1 MET B 44 -11.137 -2.902 -2.166 1.00 0.00 H new ATOM 0 HE2 MET B 44 -11.076 -3.785 -0.621 1.00 0.00 H new ATOM 0 HE3 MET B 44 -9.835 -4.077 -1.863 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.540 -7.090 -4.366 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.115 -6.941 -4.634 1.00 0.00 C ATOM 1883 C GLU B 45 -7.417 -6.302 -3.438 1.00 0.00 C ATOM 1884 O GLU B 45 -7.724 -5.170 -3.064 1.00 0.00 O ATOM 1885 CB GLU B 45 -7.897 -6.083 -5.882 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.616 -6.604 -7.116 1.00 0.00 C ATOM 1887 CD GLU B 45 -8.397 -5.724 -8.332 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -7.415 -5.960 -9.066 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -9.210 -4.801 -8.550 1.00 0.00 O ATOM 0 H GLU B 45 -10.119 -6.341 -4.746 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.690 -7.930 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.235 -5.067 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -6.829 -6.027 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.269 -7.614 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.684 -6.672 -6.909 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.478 -7.030 -2.842 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.750 -6.527 -1.683 1.00 0.00 C ATOM 1898 C VAL B 46 -4.462 -5.813 -2.096 1.00 0.00 C ATOM 1899 O VAL B 46 -3.775 -6.245 -3.022 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.406 -7.664 -0.700 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.676 -8.294 -0.149 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.534 -8.714 -1.373 1.00 0.00 C ATOM 0 H VAL B 46 -6.204 -7.966 -3.141 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.407 -5.813 -1.187 1.00 0.00 H new ATOM 0 HB VAL B 46 -4.844 -7.239 0.132 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.414 -9.095 0.543 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.260 -7.537 0.375 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.265 -8.702 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.304 -9.506 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -5.065 -9.136 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.607 -8.253 -1.715 1.00 0.00 H new ATOM 1912 N PRO B 47 -4.119 -4.699 -1.415 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.923 -3.927 -1.701 1.00 0.00 C ATOM 1914 C PRO B 47 -1.800 -4.202 -0.703 1.00 0.00 C ATOM 1915 O PRO B 47 -2.010 -4.865 0.313 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.442 -2.504 -1.527 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.468 -2.603 -0.433 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.895 -4.056 -0.346 1.00 0.00 C ATOM 0 HA PRO B 47 -2.490 -4.151 -2.676 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.638 -1.820 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.883 -2.128 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -4.051 -2.267 0.517 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -5.324 -1.963 -0.649 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.668 -4.485 0.630 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.968 -4.170 -0.502 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.609 -3.691 -1.000 1.00 0.00 N ATOM 1927 CA ALA B 48 0.541 -3.880 -0.123 1.00 0.00 C ATOM 1928 C ALA B 48 0.552 -2.836 0.992 1.00 0.00 C ATOM 1929 O ALA B 48 0.187 -1.682 0.770 1.00 0.00 O ATOM 1930 CB ALA B 48 1.833 -3.814 -0.922 1.00 0.00 C ATOM 0 H ALA B 48 -0.416 -3.144 -1.839 1.00 0.00 H new ATOM 0 HA ALA B 48 0.462 -4.866 0.334 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.682 -3.957 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.832 -4.597 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.912 -2.841 -1.406 1.00 0.00 H new ATOM 1936 N PRO B 49 0.973 -3.226 2.211 1.00 0.00 N ATOM 1937 CA PRO B 49 1.024 -2.311 3.356 1.00 0.00 C ATOM 1938 C PRO B 49 2.159 -1.298 3.249 1.00 0.00 C ATOM 1939 O PRO B 49 1.978 -0.118 3.552 1.00 0.00 O ATOM 1940 CB PRO B 49 1.249 -3.244 4.546 1.00 0.00 C ATOM 1941 CG PRO B 49 1.944 -4.430 3.973 1.00 0.00 C ATOM 1942 CD PRO B 49 1.426 -4.586 2.570 1.00 0.00 C ATOM 0 HA PRO B 49 0.119 -1.709 3.433 1.00 0.00 H new ATOM 0 HB2 PRO B 49 1.854 -2.765 5.316 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.305 -3.526 5.012 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.024 -4.286 3.975 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.741 -5.323 4.564 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.203 -4.941 1.893 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.609 -5.306 2.522 1.00 0.00 H new ATOM 1950 N PHE B 50 3.328 -1.761 2.818 1.00 0.00 N ATOM 1951 CA PHE B 50 4.489 -0.887 2.680 1.00 0.00 C ATOM 1952 C PHE B 50 5.385 -1.341 1.532 1.00 0.00 C ATOM 1953 O PHE B 50 5.393 -2.517 1.165 1.00 0.00 O ATOM 1954 CB PHE B 50 5.289 -0.858 3.986 1.00 0.00 C ATOM 1955 CG PHE B 50 5.941 -2.170 4.322 1.00 0.00 C ATOM 1956 CD1 PHE B 50 5.193 -3.220 4.828 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.302 -2.353 4.130 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.786 -4.429 5.135 1.00 0.00 C ATOM 1959 CE2 PHE B 50 7.902 -3.561 4.435 1.00 0.00 C ATOM 1960 CZ PHE B 50 7.143 -4.600 4.939 1.00 0.00 C ATOM 0 H PHE B 50 3.497 -2.733 2.559 1.00 0.00 H new ATOM 0 HA PHE B 50 4.129 0.118 2.457 1.00 0.00 H new ATOM 0 HB2 PHE B 50 6.057 -0.088 3.915 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.626 -0.572 4.802 1.00 0.00 H new ATOM 0 HD1 PHE B 50 4.132 -3.092 4.985 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.900 -1.543 3.738 1.00 0.00 H new ATOM 0 HE1 PHE B 50 5.190 -5.239 5.528 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.963 -3.692 4.279 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.610 -5.544 5.179 1.00 0.00 H new ATOM 1970 N ALA B 51 6.141 -0.401 0.970 1.00 0.00 N ATOM 1971 CA ALA B 51 7.045 -0.705 -0.134 1.00 0.00 C ATOM 1972 C ALA B 51 8.222 -1.549 0.341 1.00 0.00 C ATOM 1973 O ALA B 51 8.669 -1.420 1.481 1.00 0.00 O ATOM 1974 CB ALA B 51 7.542 0.581 -0.776 1.00 0.00 C ATOM 0 H ALA B 51 6.145 0.577 1.261 1.00 0.00 H new ATOM 0 HA ALA B 51 6.494 -1.281 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.216 0.340 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA B 51 6.693 1.149 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.074 1.176 -0.034 1.00 0.00 H new ATOM 1980 N GLY B 52 8.719 -2.414 -0.537 1.00 0.00 N ATOM 1981 CA GLY B 52 9.840 -3.266 -0.184 1.00 0.00 C ATOM 1982 C GLY B 52 10.287 -4.146 -1.334 1.00 0.00 C ATOM 1983 O GLY B 52 10.045 -3.827 -2.498 1.00 0.00 O ATOM 0 H GLY B 52 8.366 -2.540 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.675 -2.645 0.140 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.562 -3.894 0.663 1.00 0.00 H new ATOM 1987 N VAL B 53 10.944 -5.254 -1.005 1.00 0.00 N ATOM 1988 CA VAL B 53 11.431 -6.185 -2.017 1.00 0.00 C ATOM 1989 C VAL B 53 11.040 -7.619 -1.674 1.00 0.00 C ATOM 1990 O VAL B 53 11.004 -8.000 -0.503 1.00 0.00 O ATOM 1991 CB VAL B 53 12.963 -6.103 -2.164 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.439 -6.971 -3.320 1.00 0.00 C ATOM 1993 CG2 VAL B 53 13.406 -4.661 -2.352 1.00 0.00 C ATOM 0 H VAL B 53 11.151 -5.529 -0.045 1.00 0.00 H new ATOM 0 HA VAL B 53 10.968 -5.900 -2.961 1.00 0.00 H new ATOM 0 HB VAL B 53 13.416 -6.481 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.523 -6.899 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.158 -8.008 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL B 53 12.977 -6.629 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL B 53 14.491 -4.624 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL B 53 12.943 -4.252 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL B 53 13.103 -4.071 -1.487 1.00 0.00 H new ATOM 2003 N VAL B 54 10.750 -8.410 -2.701 1.00 0.00 N ATOM 2004 CA VAL B 54 10.360 -9.801 -2.511 1.00 0.00 C ATOM 2005 C VAL B 54 11.549 -10.654 -2.079 1.00 0.00 C ATOM 2006 O VAL B 54 12.540 -10.768 -2.802 1.00 0.00 O ATOM 2007 CB VAL B 54 9.744 -10.390 -3.796 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.501 -11.885 -3.646 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.450 -9.671 -4.139 1.00 0.00 C ATOM 0 H VAL B 54 10.778 -8.110 -3.676 1.00 0.00 H new ATOM 0 HA VAL B 54 9.609 -9.817 -1.721 1.00 0.00 H new ATOM 0 HB VAL B 54 10.451 -10.243 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL B 54 9.066 -12.277 -4.565 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.447 -12.389 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL B 54 8.816 -12.061 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL B 54 8.027 -10.098 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL B 54 7.741 -9.787 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.653 -8.612 -4.296 1.00 0.00 H new ATOM 2019 N LYS B 55 11.441 -11.251 -0.896 1.00 0.00 N ATOM 2020 CA LYS B 55 12.502 -12.095 -0.362 1.00 0.00 C ATOM 2021 C LYS B 55 12.417 -13.505 -0.936 1.00 0.00 C ATOM 2022 O LYS B 55 13.321 -13.955 -1.640 1.00 0.00 O ATOM 2023 CB LYS B 55 12.418 -12.148 1.165 1.00 0.00 C ATOM 2024 CG LYS B 55 13.491 -13.012 1.807 1.00 0.00 C ATOM 2025 CD LYS B 55 13.340 -13.055 3.318 1.00 0.00 C ATOM 2026 CE LYS B 55 14.397 -13.939 3.959 1.00 0.00 C ATOM 2027 NZ LYS B 55 14.320 -15.341 3.465 1.00 0.00 N ATOM 0 H LYS B 55 10.626 -11.165 -0.288 1.00 0.00 H new ATOM 0 HA LYS B 55 13.459 -11.661 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS B 55 12.496 -11.135 1.560 1.00 0.00 H new ATOM 0 HB3 LYS B 55 11.438 -12.528 1.453 1.00 0.00 H new ATOM 0 HG2 LYS B 55 13.434 -14.024 1.406 1.00 0.00 H new ATOM 0 HG3 LYS B 55 14.476 -12.622 1.550 1.00 0.00 H new ATOM 0 HD2 LYS B 55 13.416 -12.045 3.721 1.00 0.00 H new ATOM 0 HD3 LYS B 55 12.348 -13.427 3.575 1.00 0.00 H new ATOM 0 HE2 LYS B 55 15.386 -13.533 3.748 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.272 -13.928 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 14.870 -15.961 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 13.327 -15.651 3.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 14.709 -15.392 2.502 1.00 0.00 H new ATOM 2041 N GLU B 56 11.325 -14.198 -0.632 1.00 0.00 N ATOM 2042 CA GLU B 56 11.125 -15.558 -1.117 1.00 0.00 C ATOM 2043 C GLU B 56 9.645 -15.927 -1.125 1.00 0.00 C ATOM 2044 O GLU B 56 8.916 -15.642 -0.175 1.00 0.00 O ATOM 2045 CB GLU B 56 11.905 -16.548 -0.248 1.00 0.00 C ATOM 2046 CG GLU B 56 11.796 -17.989 -0.721 1.00 0.00 C ATOM 2047 CD GLU B 56 12.591 -18.949 0.141 1.00 0.00 C ATOM 2048 OE1 GLU B 56 12.054 -19.403 1.173 1.00 0.00 O ATOM 2049 OE2 GLU B 56 13.749 -19.249 -0.218 1.00 0.00 O ATOM 0 H GLU B 56 10.566 -13.840 -0.052 1.00 0.00 H new ATOM 0 HA GLU B 56 11.495 -15.609 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU B 56 12.955 -16.257 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU B 56 11.542 -16.482 0.778 1.00 0.00 H new ATOM 0 HG2 GLU B 56 10.748 -18.289 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU B 56 12.146 -18.057 -1.751 1.00 0.00 H new ATOM 2056 N LEU B 57 9.210 -16.565 -2.208 1.00 0.00 N ATOM 2057 CA LEU B 57 7.819 -16.982 -2.349 1.00 0.00 C ATOM 2058 C LEU B 57 7.535 -18.217 -1.497 1.00 0.00 C ATOM 2059 O LEU B 57 8.367 -19.119 -1.401 1.00 0.00 O ATOM 2060 CB LEU B 57 7.509 -17.264 -3.823 1.00 0.00 C ATOM 2061 CG LEU B 57 6.130 -17.865 -4.106 1.00 0.00 C ATOM 2062 CD1 LEU B 57 5.600 -17.368 -5.442 1.00 0.00 C ATOM 2063 CD2 LEU B 57 6.199 -19.386 -4.098 1.00 0.00 C ATOM 0 H LEU B 57 9.803 -16.805 -3.003 1.00 0.00 H new ATOM 0 HA LEU B 57 7.175 -16.176 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU B 57 7.600 -16.331 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU B 57 8.268 -17.943 -4.212 1.00 0.00 H new ATOM 0 HG LEU B 57 5.447 -17.545 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU B 57 4.619 -17.804 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU B 57 5.516 -16.282 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU B 57 6.285 -17.662 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU B 57 5.210 -19.796 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU B 57 6.896 -19.723 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU B 57 6.541 -19.730 -3.122 1.00 0.00 H new ATOM 2075 N LYS B 58 6.357 -18.247 -0.879 1.00 0.00 N ATOM 2076 CA LYS B 58 5.968 -19.371 -0.034 1.00 0.00 C ATOM 2077 C LYS B 58 4.635 -19.971 -0.478 1.00 0.00 C ATOM 2078 O LYS B 58 4.258 -21.056 -0.033 1.00 0.00 O ATOM 2079 CB LYS B 58 5.874 -18.927 1.427 1.00 0.00 C ATOM 2080 CG LYS B 58 4.817 -17.863 1.673 1.00 0.00 C ATOM 2081 CD LYS B 58 4.701 -17.514 3.149 1.00 0.00 C ATOM 2082 CE LYS B 58 5.941 -16.794 3.656 1.00 0.00 C ATOM 2083 NZ LYS B 58 5.787 -16.358 5.071 1.00 0.00 N ATOM 0 H LYS B 58 5.658 -17.508 -0.948 1.00 0.00 H new ATOM 0 HA LYS B 58 6.735 -20.139 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS B 58 5.655 -19.795 2.048 1.00 0.00 H new ATOM 0 HB3 LYS B 58 6.844 -18.544 1.745 1.00 0.00 H new ATOM 0 HG2 LYS B 58 5.065 -16.966 1.106 1.00 0.00 H new ATOM 0 HG3 LYS B 58 3.853 -18.216 1.306 1.00 0.00 H new ATOM 0 HD2 LYS B 58 3.825 -16.885 3.306 1.00 0.00 H new ATOM 0 HD3 LYS B 58 4.547 -18.425 3.727 1.00 0.00 H new ATOM 0 HE2 LYS B 58 6.805 -17.454 3.571 1.00 0.00 H new ATOM 0 HE3 LYS B 58 6.140 -15.926 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 5.693 -15.323 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 4.937 -16.797 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 6.623 -16.649 5.617 1.00 0.00 H new ATOM 2097 N VAL B 59 3.925 -19.266 -1.354 1.00 0.00 N ATOM 2098 CA VAL B 59 2.634 -19.738 -1.844 1.00 0.00 C ATOM 2099 C VAL B 59 2.631 -19.877 -3.362 1.00 0.00 C ATOM 2100 O VAL B 59 3.176 -19.035 -4.076 1.00 0.00 O ATOM 2101 CB VAL B 59 1.493 -18.793 -1.421 1.00 0.00 C ATOM 2102 CG1 VAL B 59 1.311 -18.820 0.089 1.00 0.00 C ATOM 2103 CG2 VAL B 59 1.763 -17.376 -1.905 1.00 0.00 C ATOM 0 H VAL B 59 4.221 -18.369 -1.738 1.00 0.00 H new ATOM 0 HA VAL B 59 2.469 -20.718 -1.397 1.00 0.00 H new ATOM 0 HB VAL B 59 0.569 -19.140 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.501 -18.147 0.370 1.00 0.00 H new ATOM 0 HG12 VAL B 59 1.068 -19.833 0.408 1.00 0.00 H new ATOM 0 HG13 VAL B 59 2.234 -18.499 0.572 1.00 0.00 H new ATOM 0 HG21 VAL B 59 0.946 -16.724 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL B 59 2.697 -17.016 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL B 59 1.840 -17.371 -2.992 1.00 0.00 H new ATOM 2113 N ASN B 60 2.006 -20.946 -3.848 1.00 0.00 N ATOM 2114 CA ASN B 60 1.928 -21.206 -5.281 1.00 0.00 C ATOM 2115 C ASN B 60 0.557 -20.827 -5.828 1.00 0.00 C ATOM 2116 O ASN B 60 -0.442 -20.868 -5.109 1.00 0.00 O ATOM 2117 CB ASN B 60 2.211 -22.682 -5.568 1.00 0.00 C ATOM 2118 CG ASN B 60 3.447 -23.198 -4.851 1.00 0.00 C ATOM 2119 OD1 ASN B 60 3.489 -24.352 -4.425 1.00 0.00 O ATOM 2120 ND2 ASN B 60 4.464 -22.353 -4.720 1.00 0.00 N ATOM 0 H ASN B 60 1.545 -21.647 -3.268 1.00 0.00 H new ATOM 0 HA ASN B 60 2.681 -20.594 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN B 60 1.348 -23.277 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.336 -22.821 -6.642 1.00 0.00 H new ATOM 0 HD21 ASN B 60 5.319 -22.653 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN B 60 4.389 -21.404 -5.087 1.00 0.00 H new ATOM 2127 N VAL B 61 0.518 -20.453 -7.104 1.00 0.00 N ATOM 2128 CA VAL B 61 -0.727 -20.066 -7.756 1.00 0.00 C ATOM 2129 C VAL B 61 -1.800 -21.137 -7.575 1.00 0.00 C ATOM 2130 O VAL B 61 -1.627 -22.278 -8.001 1.00 0.00 O ATOM 2131 CB VAL B 61 -0.516 -19.820 -9.263 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -1.795 -19.313 -9.912 1.00 0.00 C ATOM 2133 CG2 VAL B 61 0.630 -18.845 -9.490 1.00 0.00 C ATOM 0 H VAL B 61 1.339 -20.410 -7.708 1.00 0.00 H new ATOM 0 HA VAL B 61 -1.057 -19.141 -7.284 1.00 0.00 H new ATOM 0 HB VAL B 61 -0.254 -20.769 -9.731 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -1.622 -19.146 -10.975 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -2.586 -20.052 -9.784 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -2.095 -18.376 -9.442 1.00 0.00 H new ATOM 0 HG21 VAL B 61 0.764 -18.684 -10.560 1.00 0.00 H new ATOM 0 HG22 VAL B 61 0.401 -17.896 -9.006 1.00 0.00 H new ATOM 0 HG23 VAL B 61 1.547 -19.256 -9.067 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.906 -20.759 -6.940 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.992 -21.697 -6.715 1.00 0.00 C ATOM 2145 C GLY B 62 -4.025 -22.222 -5.292 1.00 0.00 C ATOM 2146 O GLY B 62 -4.724 -23.192 -4.999 1.00 0.00 O ATOM 0 H GLY B 62 -3.070 -19.820 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -4.941 -21.210 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -3.892 -22.535 -7.405 1.00 0.00 H new ATOM 2150 N ASP B 63 -3.268 -21.580 -4.406 1.00 0.00 N ATOM 2151 CA ASP B 63 -3.214 -21.990 -3.006 1.00 0.00 C ATOM 2152 C ASP B 63 -4.067 -21.071 -2.135 1.00 0.00 C ATOM 2153 O ASP B 63 -3.665 -19.951 -1.820 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.769 -21.985 -2.506 1.00 0.00 C ATOM 2155 CG ASP B 63 -1.656 -22.437 -1.064 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -1.542 -23.658 -0.831 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -1.680 -21.569 -0.166 1.00 0.00 O ATOM 0 H ASP B 63 -2.684 -20.775 -4.632 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.613 -23.002 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -1.167 -22.638 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -1.357 -20.980 -2.603 1.00 0.00 H new ATOM 2162 N LYS B 64 -5.244 -21.555 -1.750 1.00 0.00 N ATOM 2163 CA LYS B 64 -6.159 -20.782 -0.917 1.00 0.00 C ATOM 2164 C LYS B 64 -5.451 -20.222 0.314 1.00 0.00 C ATOM 2165 O LYS B 64 -4.457 -20.778 0.780 1.00 0.00 O ATOM 2166 CB LYS B 64 -7.353 -21.647 -0.495 1.00 0.00 C ATOM 2167 CG LYS B 64 -6.963 -22.985 0.117 1.00 0.00 C ATOM 2168 CD LYS B 64 -6.675 -22.865 1.606 1.00 0.00 C ATOM 2169 CE LYS B 64 -6.263 -24.202 2.202 1.00 0.00 C ATOM 2170 NZ LYS B 64 -7.317 -25.238 2.025 1.00 0.00 N ATOM 0 H LYS B 64 -5.587 -22.482 -2.003 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.521 -19.941 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -7.954 -21.092 0.225 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.984 -21.827 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -7.767 -23.704 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -6.082 -23.375 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -5.883 -22.134 1.767 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -7.561 -22.493 2.121 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -5.340 -24.540 1.732 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -6.052 -24.076 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -7.110 -26.052 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -8.243 -24.838 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -7.335 -25.549 1.033 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.972 -19.114 0.831 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.398 -18.472 2.006 1.00 0.00 C ATOM 2186 C VAL B 65 -6.367 -18.527 3.183 1.00 0.00 C ATOM 2187 O VAL B 65 -7.554 -18.806 3.008 1.00 0.00 O ATOM 2188 CB VAL B 65 -5.036 -17.001 1.715 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.279 -16.121 1.747 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.989 -16.499 2.698 1.00 0.00 C ATOM 0 H VAL B 65 -6.793 -18.642 0.453 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.489 -19.017 2.262 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.611 -16.947 0.713 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.999 -15.088 1.539 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.987 -16.464 0.993 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.741 -16.180 2.732 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.749 -15.460 2.474 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.379 -16.571 3.713 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -3.088 -17.106 2.612 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.857 -18.257 4.380 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.682 -18.268 5.583 1.00 0.00 C ATOM 2202 C LYS B 66 -6.246 -17.174 6.550 1.00 0.00 C ATOM 2203 O LYS B 66 -5.081 -16.781 6.575 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.612 -19.633 6.267 1.00 0.00 C ATOM 2205 CG LYS B 66 -7.271 -20.746 5.469 1.00 0.00 C ATOM 2206 CD LYS B 66 -7.183 -22.078 6.197 1.00 0.00 C ATOM 2207 CE LYS B 66 -7.881 -23.184 5.422 1.00 0.00 C ATOM 2208 NZ LYS B 66 -9.331 -22.903 5.242 1.00 0.00 N ATOM 0 H LYS B 66 -4.877 -18.028 4.543 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.713 -18.075 5.287 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.567 -19.891 6.440 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.090 -19.566 7.244 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -8.317 -20.497 5.289 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.791 -20.830 4.494 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -6.136 -22.343 6.348 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -7.634 -21.984 7.185 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -7.409 -23.297 4.446 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -7.757 -24.131 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -9.819 -23.772 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -9.735 -22.571 6.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -9.455 -22.169 4.515 1.00 0.00 H new ATOM 2222 N THR B 67 -7.194 -16.687 7.344 1.00 0.00 N ATOM 2223 CA THR B 67 -6.914 -15.635 8.314 1.00 0.00 C ATOM 2224 C THR B 67 -5.856 -16.077 9.318 1.00 0.00 C ATOM 2225 O THR B 67 -6.017 -17.090 9.999 1.00 0.00 O ATOM 2226 CB THR B 67 -8.189 -15.222 9.073 1.00 0.00 C ATOM 2227 OG1 THR B 67 -8.725 -16.347 9.779 1.00 0.00 O ATOM 2228 CG2 THR B 67 -9.234 -14.675 8.115 1.00 0.00 C ATOM 0 H THR B 67 -8.163 -17.004 7.335 1.00 0.00 H new ATOM 0 HA THR B 67 -6.539 -14.779 7.754 1.00 0.00 H new ATOM 0 HB THR B 67 -7.925 -14.439 9.784 1.00 0.00 H new ATOM 0 HG1 THR B 67 -8.000 -16.965 10.008 1.00 0.00 H new ATOM 0 HG21 THR B 67 -10.126 -14.390 8.673 1.00 0.00 H new ATOM 0 HG22 THR B 67 -8.834 -13.802 7.600 1.00 0.00 H new ATOM 0 HG23 THR B 67 -9.493 -15.440 7.384 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.772 -15.311 9.402 1.00 0.00 N ATOM 2237 CA GLY B 68 -3.698 -15.638 10.324 1.00 0.00 C ATOM 2238 C GLY B 68 -2.518 -16.292 9.630 1.00 0.00 C ATOM 2239 O GLY B 68 -1.505 -16.588 10.262 1.00 0.00 O ATOM 0 H GLY B 68 -4.618 -14.469 8.848 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -3.363 -14.729 10.825 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -4.077 -16.306 11.097 1.00 0.00 H new ATOM 2243 N SER B 69 -2.652 -16.517 8.326 1.00 0.00 N ATOM 2244 CA SER B 69 -1.589 -17.139 7.544 1.00 0.00 C ATOM 2245 C SER B 69 -0.834 -16.095 6.728 1.00 0.00 C ATOM 2246 O SER B 69 -1.439 -15.288 6.022 1.00 0.00 O ATOM 2247 CB SER B 69 -2.168 -18.208 6.615 1.00 0.00 C ATOM 2248 OG SER B 69 -1.150 -18.818 5.841 1.00 0.00 O ATOM 0 H SER B 69 -3.486 -16.278 7.789 1.00 0.00 H new ATOM 0 HA SER B 69 -0.890 -17.610 8.236 1.00 0.00 H new ATOM 0 HB2 SER B 69 -2.684 -18.966 7.205 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.910 -17.758 5.955 1.00 0.00 H new ATOM 0 HG SER B 69 -1.546 -19.498 5.257 1.00 0.00 H new ATOM 2254 N LEU B 70 0.490 -16.117 6.831 1.00 0.00 N ATOM 2255 CA LEU B 70 1.331 -15.173 6.104 1.00 0.00 C ATOM 2256 C LEU B 70 1.250 -15.421 4.602 1.00 0.00 C ATOM 2257 O LEU B 70 0.851 -16.500 4.163 1.00 0.00 O ATOM 2258 CB LEU B 70 2.783 -15.284 6.576 1.00 0.00 C ATOM 2259 CG LEU B 70 3.003 -15.030 8.069 1.00 0.00 C ATOM 2260 CD1 LEU B 70 4.449 -15.302 8.451 1.00 0.00 C ATOM 2261 CD2 LEU B 70 2.616 -13.603 8.432 1.00 0.00 C ATOM 0 H LEU B 70 1.005 -16.779 7.412 1.00 0.00 H new ATOM 0 HA LEU B 70 0.967 -14.166 6.308 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.152 -16.281 6.335 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.388 -14.575 6.010 1.00 0.00 H new ATOM 0 HG LEU B 70 2.365 -15.713 8.629 1.00 0.00 H new ATOM 0 HD11 LEU B 70 4.585 -15.116 9.516 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.694 -16.341 8.230 1.00 0.00 H new ATOM 0 HD13 LEU B 70 5.106 -14.645 7.881 1.00 0.00 H new ATOM 0 HD21 LEU B 70 2.779 -13.442 9.498 1.00 0.00 H new ATOM 0 HD22 LEU B 70 3.227 -12.904 7.861 1.00 0.00 H new ATOM 0 HD23 LEU B 70 1.564 -13.440 8.198 1.00 0.00 H new ATOM 2273 N ILE B 71 1.628 -14.415 3.819 1.00 0.00 N ATOM 2274 CA ILE B 71 1.595 -14.526 2.365 1.00 0.00 C ATOM 2275 C ILE B 71 2.971 -14.265 1.757 1.00 0.00 C ATOM 2276 O ILE B 71 3.474 -15.072 0.976 1.00 0.00 O ATOM 2277 CB ILE B 71 0.568 -13.554 1.749 1.00 0.00 C ATOM 2278 CG1 ILE B 71 0.734 -12.149 2.337 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.845 -14.070 1.981 1.00 0.00 C ATOM 2280 CD1 ILE B 71 -0.175 -11.113 1.710 1.00 0.00 C ATOM 0 H ILE B 71 1.960 -13.515 4.166 1.00 0.00 H new ATOM 0 HA ILE B 71 1.295 -15.548 2.133 1.00 0.00 H new ATOM 0 HB ILE B 71 0.745 -13.494 0.675 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.539 -12.188 3.409 1.00 0.00 H new ATOM 0 HG13 ILE B 71 1.770 -11.833 2.212 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.562 -13.376 1.542 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.956 -15.049 1.515 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -1.030 -14.154 3.052 1.00 0.00 H new ATOM 0 HD11 ILE B 71 0.000 -10.144 2.178 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.034 -11.044 0.643 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.215 -11.404 1.858 1.00 0.00 H new ATOM 2292 N MET B 72 3.574 -13.136 2.121 1.00 0.00 N ATOM 2293 CA MET B 72 4.890 -12.770 1.609 1.00 0.00 C ATOM 2294 C MET B 72 5.691 -12.009 2.660 1.00 0.00 C ATOM 2295 O MET B 72 5.146 -11.570 3.673 1.00 0.00 O ATOM 2296 CB MET B 72 4.757 -11.918 0.344 1.00 0.00 C ATOM 2297 CG MET B 72 4.125 -12.655 -0.828 1.00 0.00 C ATOM 2298 SD MET B 72 5.096 -14.077 -1.363 1.00 0.00 S ATOM 2299 CE MET B 72 6.623 -13.282 -1.854 1.00 0.00 C ATOM 0 H MET B 72 3.171 -12.459 2.769 1.00 0.00 H new ATOM 0 HA MET B 72 5.420 -13.690 1.364 1.00 0.00 H new ATOM 0 HB2 MET B 72 4.158 -11.036 0.572 1.00 0.00 H new ATOM 0 HB3 MET B 72 5.745 -11.565 0.049 1.00 0.00 H new ATOM 0 HG2 MET B 72 3.126 -12.988 -0.546 1.00 0.00 H new ATOM 0 HG3 MET B 72 4.007 -11.966 -1.664 1.00 0.00 H new ATOM 0 HE1 MET B 72 7.145 -13.910 -2.576 1.00 0.00 H new ATOM 0 HE2 MET B 72 6.401 -12.316 -2.308 1.00 0.00 H new ATOM 0 HE3 MET B 72 7.255 -13.135 -0.978 1.00 0.00 H new ATOM 2309 N ILE B 73 6.988 -11.858 2.413 1.00 0.00 N ATOM 2310 CA ILE B 73 7.868 -11.145 3.331 1.00 0.00 C ATOM 2311 C ILE B 73 8.745 -10.161 2.570 1.00 0.00 C ATOM 2312 O ILE B 73 9.303 -10.496 1.525 1.00 0.00 O ATOM 2313 CB ILE B 73 8.767 -12.112 4.127 1.00 0.00 C ATOM 2314 CG1 ILE B 73 7.959 -13.323 4.604 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.402 -11.392 5.310 1.00 0.00 C ATOM 2316 CD1 ILE B 73 8.804 -14.416 5.224 1.00 0.00 C ATOM 0 H ILE B 73 7.454 -12.221 1.582 1.00 0.00 H new ATOM 0 HA ILE B 73 7.232 -10.607 4.034 1.00 0.00 H new ATOM 0 HB ILE B 73 9.562 -12.467 3.472 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.220 -12.991 5.333 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.409 -13.737 3.759 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.034 -12.087 5.863 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.007 -10.561 4.948 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.620 -11.012 5.967 1.00 0.00 H new ATOM 0 HD11 ILE B 73 8.162 -15.239 5.537 1.00 0.00 H new ATOM 0 HD12 ILE B 73 9.526 -14.777 4.492 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.334 -14.019 6.090 1.00 0.00 H new ATOM 2328 N PHE B 74 8.868 -8.947 3.095 1.00 0.00 N ATOM 2329 CA PHE B 74 9.673 -7.919 2.448 1.00 0.00 C ATOM 2330 C PHE B 74 10.896 -7.574 3.287 1.00 0.00 C ATOM 2331 O PHE B 74 10.880 -7.714 4.510 1.00 0.00 O ATOM 2332 CB PHE B 74 8.837 -6.663 2.208 1.00 0.00 C ATOM 2333 CG PHE B 74 7.631 -6.901 1.343 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.770 -7.130 -0.016 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.359 -6.891 1.892 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.661 -7.346 -0.812 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.247 -7.107 1.101 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.398 -7.333 -0.252 1.00 0.00 C ATOM 0 H PHE B 74 8.422 -8.652 3.964 1.00 0.00 H new ATOM 0 HA PHE B 74 10.012 -8.312 1.489 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.512 -6.264 3.169 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.464 -5.903 1.742 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.755 -7.140 -0.458 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.235 -6.712 2.950 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.781 -7.525 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.261 -7.099 1.541 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.530 -7.500 -0.872 1.00 0.00 H new ATOM 2348 N GLU B 75 11.952 -7.122 2.621 1.00 0.00 N ATOM 2349 CA GLU B 75 13.186 -6.753 3.302 1.00 0.00 C ATOM 2350 C GLU B 75 13.449 -5.256 3.176 1.00 0.00 C ATOM 2351 O GLU B 75 14.048 -4.799 2.203 1.00 0.00 O ATOM 2352 CB GLU B 75 14.366 -7.542 2.732 1.00 0.00 C ATOM 2353 CG GLU B 75 14.237 -9.045 2.918 1.00 0.00 C ATOM 2354 CD GLU B 75 15.417 -9.807 2.348 1.00 0.00 C ATOM 2355 OE1 GLU B 75 16.417 -9.982 3.075 1.00 0.00 O ATOM 2356 OE2 GLU B 75 15.341 -10.228 1.174 1.00 0.00 O ATOM 0 H GLU B 75 11.978 -7.002 1.608 1.00 0.00 H new ATOM 0 HA GLU B 75 13.075 -6.996 4.359 1.00 0.00 H new ATOM 0 HB2 GLU B 75 14.460 -7.322 1.669 1.00 0.00 H new ATOM 0 HB3 GLU B 75 15.285 -7.202 3.210 1.00 0.00 H new ATOM 0 HG2 GLU B 75 14.144 -9.269 3.981 1.00 0.00 H new ATOM 0 HG3 GLU B 75 13.321 -9.389 2.438 1.00 0.00 H new ATOM 2363 N VAL B 76 12.988 -4.499 4.165 1.00 0.00 N ATOM 2364 CA VAL B 76 13.173 -3.054 4.173 1.00 0.00 C ATOM 2365 C VAL B 76 14.349 -2.662 5.062 1.00 0.00 C ATOM 2366 O VAL B 76 14.370 -2.970 6.254 1.00 0.00 O ATOM 2367 CB VAL B 76 11.898 -2.326 4.655 1.00 0.00 C ATOM 2368 CG1 VAL B 76 11.272 -3.057 5.831 1.00 0.00 C ATOM 2369 CG2 VAL B 76 12.210 -0.890 5.036 1.00 0.00 C ATOM 0 H VAL B 76 12.483 -4.863 4.973 1.00 0.00 H new ATOM 0 HA VAL B 76 13.382 -2.750 3.147 1.00 0.00 H new ATOM 0 HB VAL B 76 11.184 -2.319 3.832 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.376 -2.527 6.154 1.00 0.00 H new ATOM 0 HG12 VAL B 76 11.005 -4.070 5.530 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.985 -3.099 6.654 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.298 -0.396 5.372 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.946 -0.879 5.840 1.00 0.00 H new ATOM 0 HG23 VAL B 76 12.610 -0.362 4.170 1.00 0.00 H new