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 Set 1.1: A 72 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 1.2: B 72 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 33:sc= 0.34 USER MOD Single : A 44 MET CE :methyl 161:sc= -0.0942 (180deg=-0.635) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= -2! (180deg=-2.2!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.787 F(o=-2.8!,f=-0.79) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : B 43 SER OG : rot 23:sc= 0.293 USER MOD Single : B 44 MET CE :methyl 161:sc= -0.118 (180deg=-0.574) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 LYS NZ :NH3+ 175:sc= -2.15! (180deg=-2.25!) USER MOD Single : B 60 ASN :FLIP amide:sc= -0.827 F(o=-2.7!,f=-0.83) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.722 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 13.433 -6.507 7.527 1.00 0.00 N ATOM 582 CA SER A 43 12.600 -7.626 7.102 1.00 0.00 C ATOM 583 C SER A 43 11.419 -7.814 8.047 1.00 0.00 C ATOM 584 O SER A 43 11.596 -7.964 9.256 1.00 0.00 O ATOM 585 CB SER A 43 13.426 -8.912 7.034 1.00 0.00 C ATOM 586 OG SER A 43 13.985 -9.228 8.298 1.00 0.00 O ATOM 0 HA SER A 43 12.214 -7.401 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.796 -9.735 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.223 -8.797 6.299 1.00 0.00 H new ATOM 0 HG SER A 43 13.371 -8.944 9.007 1.00 0.00 H new ATOM 592 N MET A 44 10.210 -7.807 7.486 1.00 0.00 N ATOM 593 CA MET A 44 8.999 -7.969 8.282 1.00 0.00 C ATOM 594 C MET A 44 7.931 -8.723 7.496 1.00 0.00 C ATOM 595 O MET A 44 7.497 -8.274 6.434 1.00 0.00 O ATOM 596 CB MET A 44 8.463 -6.602 8.711 1.00 0.00 C ATOM 597 CG MET A 44 7.260 -6.681 9.635 1.00 0.00 C ATOM 598 SD MET A 44 7.642 -7.473 11.208 1.00 0.00 S ATOM 599 CE MET A 44 8.840 -6.326 11.885 1.00 0.00 C ATOM 0 H MET A 44 10.046 -7.691 6.486 1.00 0.00 H new ATOM 0 HA MET A 44 9.249 -8.550 9.170 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.259 -6.050 9.211 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.191 -6.033 7.822 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.883 -5.675 9.821 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.462 -7.233 9.139 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.920 -6.477 12.962 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.811 -6.498 11.421 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.519 -5.304 11.685 1.00 0.00 H new ATOM 609 N GLU A 45 7.513 -9.868 8.024 1.00 0.00 N ATOM 610 CA GLU A 45 6.495 -10.683 7.371 1.00 0.00 C ATOM 611 C GLU A 45 5.115 -10.047 7.512 1.00 0.00 C ATOM 612 O GLU A 45 4.877 -9.257 8.426 1.00 0.00 O ATOM 613 CB GLU A 45 6.482 -12.097 7.961 1.00 0.00 C ATOM 614 CG GLU A 45 5.946 -12.170 9.383 1.00 0.00 C ATOM 615 CD GLU A 45 6.809 -11.417 10.377 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.807 -11.995 10.856 1.00 0.00 O ATOM 617 OE2 GLU A 45 6.484 -10.249 10.678 1.00 0.00 O ATOM 0 H GLU A 45 7.863 -10.253 8.902 1.00 0.00 H new ATOM 0 HA GLU A 45 6.741 -10.743 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.877 -12.740 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.496 -12.495 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.935 -11.764 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.877 -13.214 9.687 1.00 0.00 H new ATOM 624 N VAL A 46 4.212 -10.395 6.601 1.00 0.00 N ATOM 625 CA VAL A 46 2.857 -9.857 6.622 1.00 0.00 C ATOM 626 C VAL A 46 1.820 -10.968 6.464 1.00 0.00 C ATOM 627 O VAL A 46 2.088 -11.989 5.831 1.00 0.00 O ATOM 628 CB VAL A 46 2.651 -8.812 5.508 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.584 -7.627 5.707 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.862 -9.440 4.137 1.00 0.00 C ATOM 0 H VAL A 46 4.394 -11.048 5.839 1.00 0.00 H new ATOM 0 HA VAL A 46 2.722 -9.375 7.590 1.00 0.00 H new ATOM 0 HB VAL A 46 1.624 -8.451 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.424 -6.900 4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.379 -7.161 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.618 -7.970 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.712 -8.686 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.877 -9.833 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.149 -10.252 3.995 1.00 0.00 H new ATOM 640 N PRO A 47 0.618 -10.783 7.041 1.00 0.00 N ATOM 641 CA PRO A 47 -0.460 -11.755 6.969 1.00 0.00 C ATOM 642 C PRO A 47 -1.520 -11.372 5.940 1.00 0.00 C ATOM 643 O PRO A 47 -1.561 -10.234 5.471 1.00 0.00 O ATOM 644 CB PRO A 47 -1.034 -11.661 8.377 1.00 0.00 C ATOM 645 CG PRO A 47 -0.863 -10.219 8.764 1.00 0.00 C ATOM 646 CD PRO A 47 0.215 -9.637 7.869 1.00 0.00 C ATOM 0 HA PRO A 47 -0.127 -12.748 6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.084 -11.954 8.397 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.505 -12.321 9.065 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.799 -9.675 8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.579 -10.134 9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.166 -8.816 7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.051 -9.245 8.448 1.00 0.00 H new ATOM 654 N ALA A 48 -2.377 -12.328 5.591 1.00 0.00 N ATOM 655 CA ALA A 48 -3.438 -12.084 4.621 1.00 0.00 C ATOM 656 C ALA A 48 -4.622 -11.375 5.277 1.00 0.00 C ATOM 657 O ALA A 48 -4.927 -11.621 6.445 1.00 0.00 O ATOM 658 CB ALA A 48 -3.887 -13.391 3.984 1.00 0.00 C ATOM 0 H ALA A 48 -2.357 -13.277 5.965 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.043 -11.434 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.679 -13.191 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.043 -13.857 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.261 -14.063 4.757 1.00 0.00 H new ATOM 664 N PRO A 49 -5.308 -10.485 4.537 1.00 0.00 N ATOM 665 CA PRO A 49 -6.458 -9.743 5.066 1.00 0.00 C ATOM 666 C PRO A 49 -7.665 -10.639 5.322 1.00 0.00 C ATOM 667 O PRO A 49 -8.237 -10.629 6.413 1.00 0.00 O ATOM 668 CB PRO A 49 -6.770 -8.728 3.965 1.00 0.00 C ATOM 669 CG PRO A 49 -6.227 -9.336 2.719 1.00 0.00 C ATOM 670 CD PRO A 49 -5.021 -10.130 3.134 1.00 0.00 C ATOM 0 HA PRO A 49 -6.234 -9.288 6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.842 -8.551 3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.303 -7.765 4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.969 -9.976 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.957 -8.567 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.892 -11.017 2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.106 -9.544 3.047 1.00 0.00 H new ATOM 678 N PHE A 50 -8.050 -11.413 4.312 1.00 0.00 N ATOM 679 CA PHE A 50 -9.195 -12.310 4.429 1.00 0.00 C ATOM 680 C PHE A 50 -8.967 -13.595 3.642 1.00 0.00 C ATOM 681 O PHE A 50 -8.236 -13.606 2.650 1.00 0.00 O ATOM 682 CB PHE A 50 -10.466 -11.615 3.931 1.00 0.00 C ATOM 683 CG PHE A 50 -10.428 -11.261 2.471 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.714 -10.158 2.030 1.00 0.00 C ATOM 685 CD2 PHE A 50 -11.105 -12.031 1.536 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.674 -9.829 0.689 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.069 -11.706 0.194 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.353 -10.605 -0.231 1.00 0.00 C ATOM 0 H PHE A 50 -7.586 -11.437 3.404 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.314 -12.567 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.321 -12.265 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.624 -10.707 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.182 -9.548 2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.666 -12.894 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.113 -8.967 0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.601 -12.313 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.324 -10.351 -1.280 1.00 0.00 H new ATOM 698 N ALA A 51 -9.594 -14.678 4.092 1.00 0.00 N ATOM 699 CA ALA A 51 -9.467 -15.968 3.424 1.00 0.00 C ATOM 700 C ALA A 51 -9.906 -15.862 1.969 1.00 0.00 C ATOM 701 O ALA A 51 -10.853 -15.141 1.650 1.00 0.00 O ATOM 702 CB ALA A 51 -10.283 -17.021 4.155 1.00 0.00 C ATOM 0 H ALA A 51 -10.195 -14.687 4.916 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.419 -16.268 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.180 -17.979 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.923 -17.114 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.332 -16.726 4.164 1.00 0.00 H new ATOM 708 N GLY A 52 -9.220 -16.583 1.088 1.00 0.00 N ATOM 709 CA GLY A 52 -9.558 -16.531 -0.323 1.00 0.00 C ATOM 710 C GLY A 52 -8.873 -17.605 -1.141 1.00 0.00 C ATOM 711 O GLY A 52 -8.301 -18.547 -0.592 1.00 0.00 O ATOM 0 H GLY A 52 -8.441 -17.198 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.638 -16.631 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.286 -15.553 -0.719 1.00 0.00 H new ATOM 715 N VAL A 53 -8.941 -17.461 -2.460 1.00 0.00 N ATOM 716 CA VAL A 53 -8.323 -18.413 -3.374 1.00 0.00 C ATOM 717 C VAL A 53 -7.566 -17.686 -4.480 1.00 0.00 C ATOM 718 O VAL A 53 -8.115 -16.807 -5.145 1.00 0.00 O ATOM 719 CB VAL A 53 -9.374 -19.345 -4.012 1.00 0.00 C ATOM 720 CG1 VAL A 53 -8.710 -20.336 -4.958 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.165 -20.075 -2.936 1.00 0.00 C ATOM 0 H VAL A 53 -9.421 -16.689 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.627 -19.014 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.067 -18.734 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.469 -20.984 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.194 -19.793 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.992 -20.941 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.901 -20.727 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.486 -20.673 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.675 -19.348 -2.303 1.00 0.00 H new ATOM 731 N VAL A 54 -6.305 -18.056 -4.673 1.00 0.00 N ATOM 732 CA VAL A 54 -5.476 -17.434 -5.698 1.00 0.00 C ATOM 733 C VAL A 54 -5.914 -17.865 -7.093 1.00 0.00 C ATOM 734 O VAL A 54 -5.605 -18.970 -7.539 1.00 0.00 O ATOM 735 CB VAL A 54 -3.986 -17.779 -5.504 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.146 -17.215 -6.642 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.490 -17.258 -4.165 1.00 0.00 C ATOM 0 H VAL A 54 -5.835 -18.783 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.604 -16.356 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.883 -18.864 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.099 -17.471 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.484 -17.639 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.254 -16.131 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.436 -17.510 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.611 -16.175 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.067 -17.714 -3.361 1.00 0.00 H new ATOM 747 N LYS A 55 -6.641 -16.986 -7.776 1.00 0.00 N ATOM 748 CA LYS A 55 -7.121 -17.271 -9.122 1.00 0.00 C ATOM 749 C LYS A 55 -6.652 -16.205 -10.107 1.00 0.00 C ATOM 750 O LYS A 55 -6.398 -16.497 -11.276 1.00 0.00 O ATOM 751 CB LYS A 55 -8.648 -17.355 -9.135 1.00 0.00 C ATOM 752 CG LYS A 55 -9.225 -17.724 -10.491 1.00 0.00 C ATOM 753 CD LYS A 55 -10.745 -17.751 -10.459 1.00 0.00 C ATOM 754 CE LYS A 55 -11.322 -18.130 -11.811 1.00 0.00 C ATOM 755 NZ LYS A 55 -12.812 -18.139 -11.796 1.00 0.00 N ATOM 0 H LYS A 55 -6.910 -16.070 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.707 -18.231 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.969 -18.093 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.059 -16.395 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.888 -17.006 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.849 -18.701 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.082 -18.463 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.121 -16.772 -10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.971 -17.426 -12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.956 -19.115 -12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.167 -18.402 -12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.148 -18.829 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.162 -17.192 -11.546 1.00 0.00 H new ATOM 769 N GLU A 56 -6.537 -14.969 -9.629 1.00 0.00 N ATOM 770 CA GLU A 56 -6.101 -13.862 -10.472 1.00 0.00 C ATOM 771 C GLU A 56 -4.784 -13.272 -9.972 1.00 0.00 C ATOM 772 O GLU A 56 -4.773 -12.394 -9.109 1.00 0.00 O ATOM 773 CB GLU A 56 -7.177 -12.775 -10.517 1.00 0.00 C ATOM 774 CG GLU A 56 -8.524 -13.271 -11.014 1.00 0.00 C ATOM 775 CD GLU A 56 -8.456 -13.831 -12.421 1.00 0.00 C ATOM 776 OE1 GLU A 56 -8.553 -13.037 -13.381 1.00 0.00 O ATOM 777 OE2 GLU A 56 -8.307 -15.063 -12.564 1.00 0.00 O ATOM 0 H GLU A 56 -6.740 -14.710 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.940 -14.250 -11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.300 -12.356 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.837 -11.966 -11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.895 -14.041 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.241 -12.451 -10.988 1.00 0.00 H new ATOM 784 N LEU A 57 -3.676 -13.768 -10.517 1.00 0.00 N ATOM 785 CA LEU A 57 -2.352 -13.287 -10.136 1.00 0.00 C ATOM 786 C LEU A 57 -2.130 -11.863 -10.632 1.00 0.00 C ATOM 787 O LEU A 57 -2.557 -11.503 -11.729 1.00 0.00 O ATOM 788 CB LEU A 57 -1.269 -14.215 -10.697 1.00 0.00 C ATOM 789 CG LEU A 57 0.173 -13.742 -10.488 1.00 0.00 C ATOM 790 CD1 LEU A 57 1.090 -14.928 -10.231 1.00 0.00 C ATOM 791 CD2 LEU A 57 0.658 -12.950 -11.695 1.00 0.00 C ATOM 0 H LEU A 57 -3.669 -14.503 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.289 -13.286 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.382 -15.197 -10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.441 -14.342 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 57 0.196 -13.089 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.110 -14.574 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.758 -15.458 -9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.059 -15.604 -11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.684 -12.623 -11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.619 -13.580 -12.583 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.019 -12.079 -11.840 1.00 0.00 H new ATOM 803 N LYS A 58 -1.459 -11.056 -9.816 1.00 0.00 N ATOM 804 CA LYS A 58 -1.176 -9.671 -10.170 1.00 0.00 C ATOM 805 C LYS A 58 0.324 -9.456 -10.353 1.00 0.00 C ATOM 806 O LYS A 58 0.759 -8.841 -11.326 1.00 0.00 O ATOM 807 CB LYS A 58 -1.715 -8.732 -9.087 1.00 0.00 C ATOM 808 CG LYS A 58 -2.121 -7.364 -9.611 1.00 0.00 C ATOM 809 CD LYS A 58 -0.912 -6.517 -9.977 1.00 0.00 C ATOM 810 CE LYS A 58 -1.326 -5.177 -10.563 1.00 0.00 C ATOM 811 NZ LYS A 58 -2.143 -4.381 -9.607 1.00 0.00 N ATOM 0 H LYS A 58 -1.101 -11.339 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.673 -9.448 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.577 -9.199 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.954 -8.605 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.758 -7.485 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.712 -6.846 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.299 -6.354 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.294 -7.055 -10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.436 -4.611 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.895 -5.341 -11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.305 -3.430 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.057 -4.853 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.639 -4.303 -8.701 1.00 0.00 H new ATOM 825 N VAL A 59 1.110 -9.972 -9.413 1.00 0.00 N ATOM 826 CA VAL A 59 2.559 -9.833 -9.465 1.00 0.00 C ATOM 827 C VAL A 59 3.234 -11.199 -9.551 1.00 0.00 C ATOM 828 O VAL A 59 2.612 -12.228 -9.291 1.00 0.00 O ATOM 829 CB VAL A 59 3.088 -9.091 -8.224 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.470 -8.519 -8.484 1.00 0.00 C ATOM 831 CG2 VAL A 59 2.122 -7.994 -7.802 1.00 0.00 C ATOM 0 H VAL A 59 0.766 -10.491 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 59 2.797 -9.255 -10.358 1.00 0.00 H new ATOM 0 HB VAL A 59 3.168 -9.809 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.822 -8.000 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.158 -9.328 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.423 -7.818 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.514 -7.482 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.005 -7.279 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.154 -8.434 -7.563 1.00 0.00 H new ATOM 841 N ASN A 60 4.511 -11.196 -9.917 1.00 0.00 N ATOM 842 CA ASN A 60 5.280 -12.430 -10.041 1.00 0.00 C ATOM 843 C ASN A 60 6.318 -12.535 -8.926 1.00 0.00 C ATOM 844 O ASN A 60 6.803 -11.523 -8.421 1.00 0.00 O ATOM 845 CB ASN A 60 5.974 -12.487 -11.406 1.00 0.00 C ATOM 846 CG ASN A 60 5.051 -12.116 -12.555 1.00 0.00 C ATOM 847 OD1 ASN A 60 3.766 -12.433 -12.421 1.00 0.00 O flip ATOM 848 ND2 ASN A 60 5.490 -11.552 -13.556 1.00 0.00 N flip ATOM 0 H ASN A 60 5.038 -10.350 -10.134 1.00 0.00 H new ATOM 0 HA ASN A 60 4.592 -13.271 -9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.830 -11.812 -11.401 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.362 -13.492 -11.569 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.483 -11.326 -13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.861 -11.310 -14.322 1.00 0.00 H new ATOM 855 N VAL A 61 6.654 -13.765 -8.548 1.00 0.00 N ATOM 856 CA VAL A 61 7.633 -13.999 -7.493 1.00 0.00 C ATOM 857 C VAL A 61 9.006 -13.469 -7.891 1.00 0.00 C ATOM 858 O VAL A 61 9.522 -13.791 -8.962 1.00 0.00 O ATOM 859 CB VAL A 61 7.750 -15.498 -7.155 1.00 0.00 C ATOM 860 CG1 VAL A 61 8.719 -15.713 -6.002 1.00 0.00 C ATOM 861 CG2 VAL A 61 6.385 -16.082 -6.826 1.00 0.00 C ATOM 0 H VAL A 61 6.263 -14.614 -8.957 1.00 0.00 H new ATOM 0 HA VAL A 61 7.281 -13.464 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 61 8.140 -16.017 -8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.788 -16.778 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.703 -15.336 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.361 -15.180 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.490 -17.141 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.963 -15.559 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.723 -15.965 -7.684 1.00 0.00 H new ATOM 871 N GLY A 62 9.594 -12.655 -7.019 1.00 0.00 N ATOM 872 CA GLY A 62 10.903 -12.090 -7.293 1.00 0.00 C ATOM 873 C GLY A 62 10.825 -10.653 -7.766 1.00 0.00 C ATOM 874 O GLY A 62 11.843 -10.048 -8.107 1.00 0.00 O ATOM 0 H GLY A 62 9.186 -12.376 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.513 -12.140 -6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.404 -12.692 -8.051 1.00 0.00 H new ATOM 878 N ASP A 63 9.615 -10.103 -7.786 1.00 0.00 N ATOM 879 CA ASP A 63 9.407 -8.727 -8.223 1.00 0.00 C ATOM 880 C ASP A 63 9.152 -7.807 -7.034 1.00 0.00 C ATOM 881 O ASP A 63 8.236 -8.036 -6.243 1.00 0.00 O ATOM 882 CB ASP A 63 8.233 -8.652 -9.201 1.00 0.00 C ATOM 883 CG ASP A 63 8.036 -7.257 -9.762 1.00 0.00 C ATOM 884 OD1 ASP A 63 8.673 -6.932 -10.785 1.00 0.00 O ATOM 885 OD2 ASP A 63 7.243 -6.491 -9.176 1.00 0.00 O ATOM 0 H ASP A 63 8.764 -10.589 -7.505 1.00 0.00 H new ATOM 0 HA ASP A 63 10.314 -8.394 -8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.402 -9.350 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.321 -8.969 -8.695 1.00 0.00 H new ATOM 890 N LYS A 64 9.976 -6.770 -6.912 1.00 0.00 N ATOM 891 CA LYS A 64 9.849 -5.804 -5.824 1.00 0.00 C ATOM 892 C LYS A 64 8.423 -5.272 -5.723 1.00 0.00 C ATOM 893 O LYS A 64 7.699 -5.207 -6.717 1.00 0.00 O ATOM 894 CB LYS A 64 10.818 -4.640 -6.035 1.00 0.00 C ATOM 895 CG LYS A 64 12.277 -5.060 -6.098 1.00 0.00 C ATOM 896 CD LYS A 64 13.190 -3.864 -6.313 1.00 0.00 C ATOM 897 CE LYS A 64 14.653 -4.276 -6.345 1.00 0.00 C ATOM 898 NZ LYS A 64 15.554 -3.111 -6.566 1.00 0.00 N ATOM 0 H LYS A 64 10.743 -6.576 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 64 10.093 -6.315 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.557 -4.126 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.691 -3.922 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.551 -5.567 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.416 -5.776 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.930 -3.370 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.033 -3.138 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.913 -4.763 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.806 -5.009 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.542 -3.434 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.323 -2.661 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.427 -2.423 -5.797 1.00 0.00 H new ATOM 912 N VAL A 65 8.027 -4.892 -4.513 1.00 0.00 N ATOM 913 CA VAL A 65 6.690 -4.363 -4.272 1.00 0.00 C ATOM 914 C VAL A 65 6.751 -2.898 -3.849 1.00 0.00 C ATOM 915 O VAL A 65 7.776 -2.427 -3.358 1.00 0.00 O ATOM 916 CB VAL A 65 5.957 -5.174 -3.184 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.555 -4.897 -1.812 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.467 -4.867 -3.197 1.00 0.00 C ATOM 0 H VAL A 65 8.615 -4.941 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 65 6.138 -4.445 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 65 6.087 -6.234 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.023 -5.479 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.608 -5.178 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.462 -3.836 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.969 -5.449 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.313 -3.805 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.050 -5.127 -4.170 1.00 0.00 H new ATOM 928 N LYS A 66 5.647 -2.183 -4.044 1.00 0.00 N ATOM 929 CA LYS A 66 5.575 -0.774 -3.676 1.00 0.00 C ATOM 930 C LYS A 66 4.213 -0.444 -3.073 1.00 0.00 C ATOM 931 O LYS A 66 3.175 -0.841 -3.604 1.00 0.00 O ATOM 932 CB LYS A 66 5.843 0.111 -4.896 1.00 0.00 C ATOM 933 CG LYS A 66 7.237 -0.065 -5.478 1.00 0.00 C ATOM 934 CD LYS A 66 7.482 0.878 -6.646 1.00 0.00 C ATOM 935 CE LYS A 66 8.889 0.724 -7.198 1.00 0.00 C ATOM 936 NZ LYS A 66 9.145 1.650 -8.335 1.00 0.00 N ATOM 0 H LYS A 66 4.791 -2.556 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 66 6.341 -0.577 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.105 -0.113 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.704 1.155 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.981 0.116 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.366 -1.096 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.756 0.679 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.327 1.907 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.613 0.914 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.039 -0.304 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.116 1.513 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.471 1.452 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.027 2.633 -8.016 1.00 0.00 H new ATOM 950 N THR A 67 4.228 0.281 -1.957 1.00 0.00 N ATOM 951 CA THR A 67 2.997 0.663 -1.271 1.00 0.00 C ATOM 952 C THR A 67 2.013 1.333 -2.224 1.00 0.00 C ATOM 953 O THR A 67 2.387 2.207 -3.006 1.00 0.00 O ATOM 954 CB THR A 67 3.283 1.615 -0.093 1.00 0.00 C ATOM 955 OG1 THR A 67 4.276 1.044 0.767 1.00 0.00 O ATOM 956 CG2 THR A 67 2.017 1.890 0.705 1.00 0.00 C ATOM 0 H THR A 67 5.081 0.616 -1.508 1.00 0.00 H new ATOM 0 HA THR A 67 2.554 -0.257 -0.889 1.00 0.00 H new ATOM 0 HB THR A 67 3.649 2.558 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.454 1.655 1.512 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.246 2.564 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.271 2.350 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.625 0.953 1.100 1.00 0.00 H new ATOM 964 N GLY A 68 0.753 0.914 -2.152 1.00 0.00 N ATOM 965 CA GLY A 68 -0.269 1.480 -3.013 1.00 0.00 C ATOM 966 C GLY A 68 -0.624 0.568 -4.172 1.00 0.00 C ATOM 967 O GLY A 68 -1.676 0.724 -4.793 1.00 0.00 O ATOM 0 H GLY A 68 0.422 0.192 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.165 1.680 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.078 2.438 -3.402 1.00 0.00 H new ATOM 971 N SER A 69 0.255 -0.386 -4.464 1.00 0.00 N ATOM 972 CA SER A 69 0.031 -1.326 -5.555 1.00 0.00 C ATOM 973 C SER A 69 -0.592 -2.618 -5.037 1.00 0.00 C ATOM 974 O SER A 69 -0.417 -2.979 -3.874 1.00 0.00 O ATOM 975 CB SER A 69 1.348 -1.633 -6.271 1.00 0.00 C ATOM 976 OG SER A 69 1.926 -0.453 -6.803 1.00 0.00 O ATOM 0 H SER A 69 1.130 -0.528 -3.959 1.00 0.00 H new ATOM 0 HA SER A 69 -0.660 -0.867 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.044 -2.101 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.171 -2.349 -7.074 1.00 0.00 H new ATOM 0 HG SER A 69 2.767 -0.675 -7.254 1.00 0.00 H new ATOM 982 N LEU A 70 -1.320 -3.309 -5.908 1.00 0.00 N ATOM 983 CA LEU A 70 -1.969 -4.561 -5.538 1.00 0.00 C ATOM 984 C LEU A 70 -0.977 -5.718 -5.574 1.00 0.00 C ATOM 985 O LEU A 70 0.061 -5.637 -6.229 1.00 0.00 O ATOM 986 CB LEU A 70 -3.142 -4.848 -6.480 1.00 0.00 C ATOM 987 CG LEU A 70 -4.203 -3.748 -6.551 1.00 0.00 C ATOM 988 CD1 LEU A 70 -5.264 -4.096 -7.584 1.00 0.00 C ATOM 989 CD2 LEU A 70 -4.840 -3.530 -5.186 1.00 0.00 C ATOM 0 H LEU A 70 -1.475 -3.023 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.345 -4.461 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.749 -5.017 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.622 -5.774 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.716 -2.821 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.010 -3.302 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.798 -4.201 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.746 -5.034 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.592 -2.744 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.312 -4.454 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.073 -3.235 -4.470 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.302 -6.793 -4.863 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.437 -7.967 -4.815 1.00 0.00 C ATOM 1003 C ILE A 71 -1.137 -9.192 -5.395 1.00 0.00 C ATOM 1004 O ILE A 71 -0.605 -9.859 -6.283 1.00 0.00 O ATOM 1005 CB ILE A 71 0.025 -8.273 -3.375 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -1.162 -8.226 -2.406 1.00 0.00 C ATOM 1007 CG2 ILE A 71 1.105 -7.288 -2.950 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -0.805 -8.611 -0.986 1.00 0.00 C ATOM 0 H ILE A 71 -2.157 -6.876 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 71 0.440 -7.738 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 71 0.443 -9.279 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.580 -7.219 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.942 -8.895 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.423 -7.514 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.958 -7.370 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.708 -6.274 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.695 -8.554 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.416 -9.629 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.047 -7.927 -0.603 1.00 0.00 H new ATOM 1020 N MET A 72 -2.334 -9.481 -4.892 1.00 0.00 N ATOM 1021 CA MET A 72 -3.109 -10.624 -5.359 1.00 0.00 C ATOM 1022 C MET A 72 -4.604 -10.356 -5.227 1.00 0.00 C ATOM 1023 O MET A 72 -5.017 -9.407 -4.559 1.00 0.00 O ATOM 1024 CB MET A 72 -2.737 -11.883 -4.570 1.00 0.00 C ATOM 1025 CG MET A 72 -1.360 -12.432 -4.908 1.00 0.00 C ATOM 1026 SD MET A 72 -0.959 -13.922 -3.975 1.00 0.00 S ATOM 1027 CE MET A 72 0.637 -14.341 -4.672 1.00 0.00 C ATOM 0 H MET A 72 -2.789 -8.937 -4.159 1.00 0.00 H new ATOM 0 HA MET A 72 -2.874 -10.781 -6.412 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.777 -11.658 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.483 -12.654 -4.761 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.312 -12.652 -5.975 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.609 -11.668 -4.706 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.033 -15.224 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.526 -14.548 -5.736 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.325 -13.507 -4.534 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.408 -11.195 -5.870 1.00 0.00 N ATOM 1038 CA ILE A 73 -6.857 -11.052 -5.824 1.00 0.00 C ATOM 1039 C ILE A 73 -7.517 -12.367 -5.424 1.00 0.00 C ATOM 1040 O ILE A 73 -7.215 -13.420 -5.986 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.427 -10.605 -7.184 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.660 -9.388 -7.710 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -8.911 -10.291 -7.055 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -7.070 -8.968 -9.105 1.00 0.00 C ATOM 0 H ILE A 73 -5.080 -11.982 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.076 -10.286 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.308 -11.419 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.812 -8.551 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.593 -9.612 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.302 -9.976 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.444 -11.181 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.052 -9.490 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.485 -8.101 -9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.892 -9.789 -9.799 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.129 -8.711 -9.111 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.417 -12.301 -4.450 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.119 -13.488 -3.978 1.00 0.00 C ATOM 1058 C PHE A 74 -10.602 -13.416 -4.318 1.00 0.00 C ATOM 1059 O PHE A 74 -11.173 -12.331 -4.410 1.00 0.00 O ATOM 1060 CB PHE A 74 -8.964 -13.635 -2.467 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.543 -13.584 -1.991 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.660 -14.604 -2.294 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -7.096 -12.516 -1.233 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.354 -14.561 -1.850 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.793 -12.467 -0.782 1.00 0.00 C ATOM 1066 CZ PHE A 74 -4.919 -13.490 -1.090 1.00 0.00 C ATOM 0 H PHE A 74 -8.678 -11.438 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.679 -14.351 -4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.529 -12.843 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.406 -14.582 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.996 -15.443 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.775 -11.712 -0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.673 -15.362 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.457 -11.629 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.898 -13.454 -0.739 1.00 0.00 H new ATOM 1076 N GLU A 75 -11.217 -14.579 -4.500 1.00 0.00 N ATOM 1077 CA GLU A 75 -12.640 -14.650 -4.803 1.00 0.00 C ATOM 1078 C GLU A 75 -13.363 -15.435 -3.717 1.00 0.00 C ATOM 1079 O GLU A 75 -13.460 -16.662 -3.783 1.00 0.00 O ATOM 1080 CB GLU A 75 -12.871 -15.301 -6.168 1.00 0.00 C ATOM 1081 CG GLU A 75 -14.319 -15.248 -6.628 1.00 0.00 C ATOM 1082 CD GLU A 75 -14.550 -16.009 -7.919 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -14.371 -15.410 -9.001 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -14.910 -17.202 -7.849 1.00 0.00 O ATOM 0 H GLU A 75 -10.752 -15.485 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.039 -13.636 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.244 -14.805 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.550 -16.342 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.959 -15.660 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.614 -14.208 -6.766 1.00 0.00 H new ATOM 1091 N VAL A 76 -13.861 -14.722 -2.713 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.567 -15.353 -1.606 1.00 0.00 C ATOM 1093 C VAL A 76 -16.037 -15.573 -1.944 1.00 0.00 C ATOM 1094 O VAL A 76 -16.785 -14.624 -2.172 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.450 -14.513 -0.315 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -14.774 -13.052 -0.588 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -15.353 -15.069 0.778 1.00 0.00 C ATOM 0 H VAL A 76 -13.789 -13.707 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.097 -16.322 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.419 -14.573 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.685 -12.481 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -14.078 -12.657 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.792 -12.970 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.253 -14.461 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.389 -15.049 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.064 -16.096 1.001 1.00 0.00 H new ATOM 1853 N SER B 43 -15.163 -11.445 -5.170 1.00 0.00 N ATOM 1854 CA SER B 43 -13.783 -11.145 -5.538 1.00 0.00 C ATOM 1855 C SER B 43 -13.397 -9.726 -5.128 1.00 0.00 C ATOM 1856 O SER B 43 -14.053 -8.759 -5.516 1.00 0.00 O ATOM 1857 CB SER B 43 -13.589 -11.320 -7.045 1.00 0.00 C ATOM 1858 OG SER B 43 -14.424 -10.437 -7.773 1.00 0.00 O ATOM 0 HA SER B 43 -13.136 -11.842 -5.006 1.00 0.00 H new ATOM 0 HB2 SER B 43 -12.546 -11.136 -7.304 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.811 -12.350 -7.326 1.00 0.00 H new ATOM 0 HG SER B 43 -14.665 -9.674 -7.208 1.00 0.00 H new ATOM 1864 N MET B 44 -12.329 -9.608 -4.342 1.00 0.00 N ATOM 1865 CA MET B 44 -11.856 -8.304 -3.887 1.00 0.00 C ATOM 1866 C MET B 44 -10.331 -8.243 -3.888 1.00 0.00 C ATOM 1867 O MET B 44 -9.668 -9.042 -3.226 1.00 0.00 O ATOM 1868 CB MET B 44 -12.390 -8.010 -2.483 1.00 0.00 C ATOM 1869 CG MET B 44 -12.049 -6.617 -1.980 1.00 0.00 C ATOM 1870 SD MET B 44 -12.774 -5.314 -2.994 1.00 0.00 S ATOM 1871 CE MET B 44 -14.522 -5.633 -2.763 1.00 0.00 C ATOM 0 H MET B 44 -11.777 -10.398 -4.008 1.00 0.00 H new ATOM 0 HA MET B 44 -12.229 -7.548 -4.578 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.473 -8.132 -2.483 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.986 -8.747 -1.788 1.00 0.00 H new ATOM 0 HG2 MET B 44 -12.399 -6.510 -0.953 1.00 0.00 H new ATOM 0 HG3 MET B 44 -10.966 -6.497 -1.961 1.00 0.00 H new ATOM 0 HE1 MET B 44 -15.093 -4.744 -3.032 1.00 0.00 H new ATOM 0 HE2 MET B 44 -14.827 -6.466 -3.397 1.00 0.00 H new ATOM 0 HE3 MET B 44 -14.711 -5.883 -1.719 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.779 -7.288 -4.634 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.331 -7.125 -4.716 1.00 0.00 C ATOM 1883 C GLU B 45 -7.787 -6.477 -3.446 1.00 0.00 C ATOM 1884 O GLU B 45 -8.515 -5.794 -2.726 1.00 0.00 O ATOM 1885 CB GLU B 45 -7.950 -6.284 -5.941 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.325 -4.813 -5.829 1.00 0.00 C ATOM 1887 CD GLU B 45 -9.823 -4.591 -5.769 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -10.453 -4.506 -6.844 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -10.365 -4.502 -4.649 1.00 0.00 O ATOM 0 H GLU B 45 -10.312 -6.618 -5.188 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.886 -8.115 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -6.875 -6.362 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.435 -6.705 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -7.864 -4.392 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -7.916 -4.273 -6.683 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.503 -6.697 -3.178 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.865 -6.136 -1.991 1.00 0.00 C ATOM 1898 C VAL B 46 -4.532 -5.472 -2.335 1.00 0.00 C ATOM 1899 O VAL B 46 -3.858 -5.875 -3.283 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.626 -7.217 -0.920 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.946 -7.813 -0.459 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.700 -8.303 -1.450 1.00 0.00 C ATOM 0 H VAL B 46 -5.885 -7.258 -3.765 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.547 -5.383 -1.595 1.00 0.00 H new ATOM 0 HB VAL B 46 -5.144 -6.749 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.757 -8.575 0.297 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.571 -7.028 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.458 -8.265 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.544 -9.057 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -5.150 -8.769 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.742 -7.862 -1.725 1.00 0.00 H new ATOM 1912 N PRO B 47 -4.132 -4.443 -1.562 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.887 -3.725 -1.771 1.00 0.00 C ATOM 1914 C PRO B 47 -1.796 -4.152 -0.790 1.00 0.00 C ATOM 1915 O PRO B 47 -2.068 -4.847 0.190 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.321 -2.293 -1.481 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.369 -2.418 -0.411 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.884 -3.844 -0.451 1.00 0.00 C ATOM 0 HA PRO B 47 -2.454 -3.892 -2.757 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.481 -1.686 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.722 -1.813 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -3.948 -2.188 0.568 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -5.181 -1.711 -0.583 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.698 -4.365 0.488 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.959 -3.879 -0.628 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.563 -3.735 -1.060 1.00 0.00 N ATOM 1927 CA ALA B 48 0.563 -4.075 -0.199 1.00 0.00 C ATOM 1928 C ALA B 48 0.635 -3.132 1.002 1.00 0.00 C ATOM 1929 O ALA B 48 0.320 -1.948 0.884 1.00 0.00 O ATOM 1930 CB ALA B 48 1.862 -4.030 -0.988 1.00 0.00 C ATOM 0 H ALA B 48 -0.319 -3.162 -1.868 1.00 0.00 H new ATOM 0 HA ALA B 48 0.414 -5.088 0.174 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.695 -4.286 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.814 -4.745 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.010 -3.027 -1.388 1.00 0.00 H new ATOM 1936 N PRO B 49 1.049 -3.644 2.178 1.00 0.00 N ATOM 1937 CA PRO B 49 1.152 -2.830 3.396 1.00 0.00 C ATOM 1938 C PRO B 49 2.270 -1.793 3.319 1.00 0.00 C ATOM 1939 O PRO B 49 2.053 -0.614 3.599 1.00 0.00 O ATOM 1940 CB PRO B 49 1.449 -3.858 4.492 1.00 0.00 C ATOM 1941 CG PRO B 49 2.067 -5.011 3.781 1.00 0.00 C ATOM 1942 CD PRO B 49 1.442 -5.047 2.415 1.00 0.00 C ATOM 0 HA PRO B 49 0.245 -2.251 3.570 1.00 0.00 H new ATOM 0 HB2 PRO B 49 2.125 -3.450 5.244 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.538 -4.156 5.011 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.148 -4.891 3.711 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.884 -5.942 4.317 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.146 -5.399 1.661 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.581 -5.715 2.385 1.00 0.00 H new ATOM 1950 N PHE B 50 3.464 -2.235 2.937 1.00 0.00 N ATOM 1951 CA PHE B 50 4.610 -1.339 2.828 1.00 0.00 C ATOM 1952 C PHE B 50 5.541 -1.780 1.704 1.00 0.00 C ATOM 1953 O PHE B 50 5.595 -2.960 1.356 1.00 0.00 O ATOM 1954 CB PHE B 50 5.377 -1.285 4.152 1.00 0.00 C ATOM 1955 CG PHE B 50 6.000 -2.596 4.543 1.00 0.00 C ATOM 1956 CD1 PHE B 50 5.235 -3.594 5.126 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.349 -2.830 4.330 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.804 -4.800 5.486 1.00 0.00 C ATOM 1959 CE2 PHE B 50 7.924 -4.034 4.688 1.00 0.00 C ATOM 1960 CZ PHE B 50 7.150 -5.021 5.268 1.00 0.00 C ATOM 0 H PHE B 50 3.663 -3.206 2.698 1.00 0.00 H new ATOM 0 HA PHE B 50 4.236 -0.342 2.596 1.00 0.00 H new ATOM 0 HB2 PHE B 50 6.159 -0.529 4.078 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.698 -0.965 4.942 1.00 0.00 H new ATOM 0 HD1 PHE B 50 4.182 -3.427 5.301 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.959 -2.061 3.878 1.00 0.00 H new ATOM 0 HE1 PHE B 50 5.197 -5.570 5.938 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.976 -4.204 4.515 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.596 -5.963 5.550 1.00 0.00 H new ATOM 1970 N ALA B 51 6.272 -0.823 1.142 1.00 0.00 N ATOM 1971 CA ALA B 51 7.203 -1.108 0.059 1.00 0.00 C ATOM 1972 C ALA B 51 8.293 -2.068 0.518 1.00 0.00 C ATOM 1973 O ALA B 51 8.765 -1.990 1.652 1.00 0.00 O ATOM 1974 CB ALA B 51 7.819 0.182 -0.460 1.00 0.00 C ATOM 0 H ALA B 51 6.237 0.158 1.420 1.00 0.00 H new ATOM 0 HA ALA B 51 6.649 -1.584 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.513 -0.046 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.031 0.838 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.355 0.680 0.348 1.00 0.00 H new ATOM 1980 N GLY B 52 8.689 -2.976 -0.369 1.00 0.00 N ATOM 1981 CA GLY B 52 9.721 -3.937 -0.030 1.00 0.00 C ATOM 1982 C GLY B 52 10.201 -4.727 -1.231 1.00 0.00 C ATOM 1983 O GLY B 52 9.948 -4.347 -2.374 1.00 0.00 O ATOM 0 H GLY B 52 8.314 -3.063 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.566 -3.414 0.417 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.338 -4.625 0.723 1.00 0.00 H new ATOM 1987 N VAL B 53 10.896 -5.830 -0.969 1.00 0.00 N ATOM 1988 CA VAL B 53 11.418 -6.678 -2.034 1.00 0.00 C ATOM 1989 C VAL B 53 11.130 -8.150 -1.755 1.00 0.00 C ATOM 1990 O VAL B 53 11.336 -8.633 -0.641 1.00 0.00 O ATOM 1991 CB VAL B 53 12.938 -6.489 -2.208 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.463 -7.349 -3.349 1.00 0.00 C ATOM 1993 CG2 VAL B 53 13.271 -5.023 -2.440 1.00 0.00 C ATOM 0 H VAL B 53 11.111 -6.157 -0.027 1.00 0.00 H new ATOM 0 HA VAL B 53 10.914 -6.379 -2.953 1.00 0.00 H new ATOM 0 HB VAL B 53 13.429 -6.810 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.538 -7.199 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.262 -8.399 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL B 53 12.966 -7.066 -4.277 1.00 0.00 H new ATOM 0 HG21 VAL B 53 14.348 -4.909 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL B 53 12.766 -4.673 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL B 53 12.937 -4.434 -1.585 1.00 0.00 H new ATOM 2003 N VAL B 54 10.652 -8.858 -2.774 1.00 0.00 N ATOM 2004 CA VAL B 54 10.337 -10.274 -2.644 1.00 0.00 C ATOM 2005 C VAL B 54 11.608 -11.117 -2.632 1.00 0.00 C ATOM 2006 O VAL B 54 12.209 -11.366 -3.678 1.00 0.00 O ATOM 2007 CB VAL B 54 9.420 -10.753 -3.788 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.229 -12.262 -3.734 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.077 -10.043 -3.724 1.00 0.00 C ATOM 0 H VAL B 54 10.474 -8.471 -3.701 1.00 0.00 H new ATOM 0 HA VAL B 54 9.813 -10.399 -1.696 1.00 0.00 H new ATOM 0 HB VAL B 54 9.899 -10.506 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.579 -12.576 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.196 -12.755 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL B 54 8.775 -12.537 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL B 54 7.442 -10.392 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL B 54 7.596 -10.259 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.229 -8.968 -3.818 1.00 0.00 H new ATOM 2019 N LYS B 55 12.016 -11.549 -1.443 1.00 0.00 N ATOM 2020 CA LYS B 55 13.216 -12.366 -1.300 1.00 0.00 C ATOM 2021 C LYS B 55 12.897 -13.689 -0.610 1.00 0.00 C ATOM 2022 O LYS B 55 13.499 -14.718 -0.915 1.00 0.00 O ATOM 2023 CB LYS B 55 14.285 -11.608 -0.509 1.00 0.00 C ATOM 2024 CG LYS B 55 15.600 -12.360 -0.389 1.00 0.00 C ATOM 2025 CD LYS B 55 16.615 -11.582 0.430 1.00 0.00 C ATOM 2026 CE LYS B 55 17.937 -12.326 0.526 1.00 0.00 C ATOM 2027 NZ LYS B 55 18.944 -11.570 1.321 1.00 0.00 N ATOM 0 H LYS B 55 11.535 -11.348 -0.567 1.00 0.00 H new ATOM 0 HA LYS B 55 13.598 -12.582 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS B 55 14.468 -10.647 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS B 55 13.904 -11.397 0.490 1.00 0.00 H new ATOM 0 HG2 LYS B 55 15.424 -13.330 0.075 1.00 0.00 H new ATOM 0 HG3 LYS B 55 16.003 -12.551 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS B 55 16.778 -10.604 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS B 55 16.220 -11.407 1.431 1.00 0.00 H new ATOM 0 HE2 LYS B 55 17.772 -13.302 0.983 1.00 0.00 H new ATOM 0 HE3 LYS B 55 18.326 -12.505 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 19.831 -12.111 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 19.121 -10.649 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 18.584 -11.421 2.285 1.00 0.00 H new ATOM 2041 N GLU B 56 11.946 -13.657 0.320 1.00 0.00 N ATOM 2042 CA GLU B 56 11.557 -14.856 1.052 1.00 0.00 C ATOM 2043 C GLU B 56 10.108 -15.236 0.760 1.00 0.00 C ATOM 2044 O GLU B 56 9.182 -14.710 1.378 1.00 0.00 O ATOM 2045 CB GLU B 56 11.746 -14.643 2.555 1.00 0.00 C ATOM 2046 CG GLU B 56 13.165 -14.262 2.945 1.00 0.00 C ATOM 2047 CD GLU B 56 14.181 -15.317 2.556 1.00 0.00 C ATOM 2048 OE1 GLU B 56 14.391 -16.260 3.348 1.00 0.00 O ATOM 2049 OE2 GLU B 56 14.768 -15.202 1.460 1.00 0.00 O ATOM 0 H GLU B 56 11.433 -12.816 0.583 1.00 0.00 H new ATOM 0 HA GLU B 56 12.198 -15.673 0.721 1.00 0.00 H new ATOM 0 HB2 GLU B 56 11.064 -13.862 2.891 1.00 0.00 H new ATOM 0 HB3 GLU B 56 11.467 -15.557 3.080 1.00 0.00 H new ATOM 0 HG2 GLU B 56 13.427 -13.317 2.468 1.00 0.00 H new ATOM 0 HG3 GLU B 56 13.210 -14.099 4.022 1.00 0.00 H new ATOM 2056 N LEU B 57 9.920 -16.147 -0.190 1.00 0.00 N ATOM 2057 CA LEU B 57 8.584 -16.604 -0.560 1.00 0.00 C ATOM 2058 C LEU B 57 7.990 -17.475 0.542 1.00 0.00 C ATOM 2059 O LEU B 57 8.699 -18.249 1.184 1.00 0.00 O ATOM 2060 CB LEU B 57 8.635 -17.382 -1.881 1.00 0.00 C ATOM 2061 CG LEU B 57 7.325 -18.059 -2.295 1.00 0.00 C ATOM 2062 CD1 LEU B 57 7.161 -18.020 -3.805 1.00 0.00 C ATOM 2063 CD2 LEU B 57 7.286 -19.497 -1.797 1.00 0.00 C ATOM 0 H LEU B 57 10.676 -16.584 -0.718 1.00 0.00 H new ATOM 0 HA LEU B 57 7.946 -15.730 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU B 57 8.938 -16.698 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU B 57 9.410 -18.145 -1.804 1.00 0.00 H new ATOM 0 HG LEU B 57 6.498 -17.513 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU B 57 6.225 -18.505 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU B 57 7.146 -16.984 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU B 57 7.994 -18.543 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU B 57 6.348 -19.962 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU B 57 8.121 -20.053 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU B 57 7.361 -19.508 -0.710 1.00 0.00 H new ATOM 2075 N LYS B 58 6.684 -17.345 0.755 1.00 0.00 N ATOM 2076 CA LYS B 58 5.996 -18.123 1.776 1.00 0.00 C ATOM 2077 C LYS B 58 4.976 -19.065 1.143 1.00 0.00 C ATOM 2078 O LYS B 58 4.910 -20.246 1.487 1.00 0.00 O ATOM 2079 CB LYS B 58 5.303 -17.189 2.771 1.00 0.00 C ATOM 2080 CG LYS B 58 5.186 -17.768 4.170 1.00 0.00 C ATOM 2081 CD LYS B 58 4.152 -18.881 4.238 1.00 0.00 C ATOM 2082 CE LYS B 58 4.075 -19.482 5.631 1.00 0.00 C ATOM 2083 NZ LYS B 58 3.699 -18.469 6.653 1.00 0.00 N ATOM 0 H LYS B 58 6.082 -16.708 0.233 1.00 0.00 H new ATOM 0 HA LYS B 58 6.735 -18.723 2.307 1.00 0.00 H new ATOM 0 HB2 LYS B 58 5.855 -16.251 2.820 1.00 0.00 H new ATOM 0 HB3 LYS B 58 4.306 -16.953 2.400 1.00 0.00 H new ATOM 0 HG2 LYS B 58 6.156 -18.153 4.486 1.00 0.00 H new ATOM 0 HG3 LYS B 58 4.914 -16.977 4.869 1.00 0.00 H new ATOM 0 HD2 LYS B 58 3.175 -18.490 3.954 1.00 0.00 H new ATOM 0 HD3 LYS B 58 4.405 -19.659 3.518 1.00 0.00 H new ATOM 0 HE2 LYS B 58 3.345 -20.292 5.637 1.00 0.00 H new ATOM 0 HE3 LYS B 58 5.039 -19.920 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 3.575 -18.935 7.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 4.450 -17.754 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 2.809 -18.009 6.375 1.00 0.00 H new ATOM 2097 N VAL B 59 4.187 -18.538 0.211 1.00 0.00 N ATOM 2098 CA VAL B 59 3.171 -19.330 -0.469 1.00 0.00 C ATOM 2099 C VAL B 59 3.445 -19.393 -1.967 1.00 0.00 C ATOM 2100 O VAL B 59 4.206 -18.588 -2.503 1.00 0.00 O ATOM 2101 CB VAL B 59 1.763 -18.747 -0.241 1.00 0.00 C ATOM 2102 CG1 VAL B 59 0.694 -19.785 -0.537 1.00 0.00 C ATOM 2103 CG2 VAL B 59 1.624 -18.219 1.178 1.00 0.00 C ATOM 0 H VAL B 59 4.233 -17.564 -0.090 1.00 0.00 H new ATOM 0 HA VAL B 59 3.213 -20.335 -0.049 1.00 0.00 H new ATOM 0 HB VAL B 59 1.625 -17.914 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -0.291 -19.351 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL B 59 0.777 -20.107 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL B 59 0.829 -20.644 0.121 1.00 0.00 H new ATOM 0 HG21 VAL B 59 0.623 -17.812 1.318 1.00 0.00 H new ATOM 0 HG22 VAL B 59 1.788 -19.031 1.886 1.00 0.00 H new ATOM 0 HG23 VAL B 59 2.362 -17.435 1.348 1.00 0.00 H new ATOM 2113 N ASN B 60 2.818 -20.354 -2.634 1.00 0.00 N ATOM 2114 CA ASN B 60 2.991 -20.529 -4.072 1.00 0.00 C ATOM 2115 C ASN B 60 1.738 -20.098 -4.826 1.00 0.00 C ATOM 2116 O ASN B 60 0.628 -20.173 -4.300 1.00 0.00 O ATOM 2117 CB ASN B 60 3.313 -21.991 -4.393 1.00 0.00 C ATOM 2118 CG ASN B 60 4.376 -22.577 -3.479 1.00 0.00 C ATOM 2119 OD1 ASN B 60 5.317 -21.746 -3.039 1.00 0.00 O flip ATOM 2120 ND2 ASN B 60 4.354 -23.769 -3.174 1.00 0.00 N flip ATOM 0 H ASN B 60 2.184 -21.026 -2.202 1.00 0.00 H new ATOM 0 HA ASN B 60 3.822 -19.901 -4.392 1.00 0.00 H new ATOM 0 HB2 ASN B 60 2.403 -22.585 -4.311 1.00 0.00 H new ATOM 0 HB3 ASN B 60 3.649 -22.065 -5.427 1.00 0.00 H new ATOM 0 HD21 ASN B 60 3.615 -24.374 -3.533 1.00 0.00 H new ATOM 0 HD22 ASN B 60 5.075 -24.152 -2.563 1.00 0.00 H new ATOM 2127 N VAL B 61 1.925 -19.645 -6.063 1.00 0.00 N ATOM 2128 CA VAL B 61 0.810 -19.203 -6.893 1.00 0.00 C ATOM 2129 C VAL B 61 -0.149 -20.353 -7.183 1.00 0.00 C ATOM 2130 O VAL B 61 0.262 -21.413 -7.659 1.00 0.00 O ATOM 2131 CB VAL B 61 1.302 -18.610 -8.228 1.00 0.00 C ATOM 2132 CG1 VAL B 61 0.132 -18.080 -9.043 1.00 0.00 C ATOM 2133 CG2 VAL B 61 2.328 -17.513 -7.984 1.00 0.00 C ATOM 0 H VAL B 61 2.838 -19.575 -6.512 1.00 0.00 H new ATOM 0 HA VAL B 61 0.286 -18.429 -6.332 1.00 0.00 H new ATOM 0 HB VAL B 61 1.783 -19.405 -8.798 1.00 0.00 H new ATOM 0 HG11 VAL B 61 0.500 -17.666 -9.981 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -0.563 -18.893 -9.253 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -0.381 -17.301 -8.479 1.00 0.00 H new ATOM 0 HG21 VAL B 61 2.662 -17.108 -8.939 1.00 0.00 H new ATOM 0 HG22 VAL B 61 1.876 -16.718 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL B 61 3.182 -17.926 -7.447 1.00 0.00 H new ATOM 2143 N GLY B 62 -1.430 -20.136 -6.896 1.00 0.00 N ATOM 2144 CA GLY B 62 -2.429 -21.161 -7.134 1.00 0.00 C ATOM 2145 C GLY B 62 -2.858 -21.862 -5.861 1.00 0.00 C ATOM 2146 O GLY B 62 -3.686 -22.773 -5.895 1.00 0.00 O ATOM 0 H GLY B 62 -1.793 -19.268 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -3.301 -20.710 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -2.031 -21.896 -7.833 1.00 0.00 H new ATOM 2150 N ASP B 63 -2.293 -21.439 -4.735 1.00 0.00 N ATOM 2151 CA ASP B 63 -2.624 -22.032 -3.445 1.00 0.00 C ATOM 2152 C ASP B 63 -3.581 -21.139 -2.663 1.00 0.00 C ATOM 2153 O ASP B 63 -3.329 -19.947 -2.487 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.351 -22.274 -2.632 1.00 0.00 C ATOM 2155 CG ASP B 63 -1.625 -23.000 -1.329 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -1.670 -24.248 -1.344 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -1.796 -22.321 -0.295 1.00 0.00 O ATOM 0 H ASP B 63 -1.604 -20.688 -4.690 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.118 -22.986 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -0.648 -22.856 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -0.873 -21.318 -2.418 1.00 0.00 H new ATOM 2162 N LYS B 64 -4.682 -21.724 -2.201 1.00 0.00 N ATOM 2163 CA LYS B 64 -5.683 -20.985 -1.437 1.00 0.00 C ATOM 2164 C LYS B 64 -5.056 -20.321 -0.213 1.00 0.00 C ATOM 2165 O LYS B 64 -4.074 -20.815 0.341 1.00 0.00 O ATOM 2166 CB LYS B 64 -6.812 -21.920 -0.999 1.00 0.00 C ATOM 2167 CG LYS B 64 -7.533 -22.592 -2.156 1.00 0.00 C ATOM 2168 CD LYS B 64 -8.628 -23.524 -1.660 1.00 0.00 C ATOM 2169 CE LYS B 64 -9.363 -24.188 -2.814 1.00 0.00 C ATOM 2170 NZ LYS B 64 -10.439 -25.100 -2.333 1.00 0.00 N ATOM 0 H LYS B 64 -4.904 -22.709 -2.342 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.092 -20.206 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -6.402 -22.688 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.535 -21.353 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -7.966 -21.833 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -6.817 -23.155 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -8.192 -24.289 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -9.337 -22.962 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -9.796 -23.422 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -8.654 -24.751 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -10.917 -25.534 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -10.023 -25.845 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -11.129 -24.558 -1.775 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.633 -19.197 0.200 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.139 -18.459 1.356 1.00 0.00 C ATOM 2186 C VAL B 65 -6.140 -18.519 2.509 1.00 0.00 C ATOM 2187 O VAL B 65 -7.319 -18.803 2.302 1.00 0.00 O ATOM 2188 CB VAL B 65 -4.872 -16.984 0.999 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.181 -16.228 0.829 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.999 -16.320 2.052 1.00 0.00 C ATOM 0 H VAL B 65 -6.446 -18.777 -0.251 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.204 -18.928 1.664 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.335 -16.957 0.051 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.971 -15.189 0.577 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.764 -16.685 0.029 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.748 -16.269 1.759 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.825 -15.280 1.777 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.501 -16.361 3.019 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -3.045 -16.843 2.116 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.661 -18.249 3.720 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.519 -18.263 4.899 1.00 0.00 C ATOM 2202 C LYS B 66 -6.108 -17.172 5.884 1.00 0.00 C ATOM 2203 O LYS B 66 -4.921 -16.982 6.155 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.472 -19.636 5.573 1.00 0.00 C ATOM 2205 CG LYS B 66 -7.040 -20.750 4.710 1.00 0.00 C ATOM 2206 CD LYS B 66 -7.033 -22.085 5.440 1.00 0.00 C ATOM 2207 CE LYS B 66 -7.577 -23.202 4.564 1.00 0.00 C ATOM 2208 NZ LYS B 66 -7.575 -24.514 5.272 1.00 0.00 N ATOM 0 H LYS B 66 -4.686 -18.018 3.910 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.542 -18.064 4.580 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.439 -19.873 5.826 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.028 -19.592 6.510 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -8.060 -20.500 4.418 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.457 -20.833 3.793 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -6.016 -22.326 5.749 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -7.632 -22.008 6.347 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -8.593 -22.958 4.254 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -6.977 -23.278 3.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -7.953 -25.249 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -6.602 -24.759 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -8.168 -24.450 6.124 1.00 0.00 H new ATOM 2222 N THR B 67 -7.099 -16.458 6.412 1.00 0.00 N ATOM 2223 CA THR B 67 -6.851 -15.375 7.361 1.00 0.00 C ATOM 2224 C THR B 67 -6.000 -15.849 8.535 1.00 0.00 C ATOM 2225 O THR B 67 -6.264 -16.898 9.122 1.00 0.00 O ATOM 2226 CB THR B 67 -8.171 -14.791 7.901 1.00 0.00 C ATOM 2227 OG1 THR B 67 -9.041 -14.457 6.813 1.00 0.00 O ATOM 2228 CG2 THR B 67 -7.911 -13.550 8.742 1.00 0.00 C ATOM 0 H THR B 67 -8.085 -16.610 6.198 1.00 0.00 H new ATOM 0 HA THR B 67 -6.311 -14.599 6.819 1.00 0.00 H new ATOM 0 HB THR B 67 -8.644 -15.546 8.529 1.00 0.00 H new ATOM 0 HG1 THR B 67 -9.878 -14.088 7.165 1.00 0.00 H new ATOM 0 HG21 THR B 67 -8.858 -13.156 9.112 1.00 0.00 H new ATOM 0 HG22 THR B 67 -7.272 -13.810 9.586 1.00 0.00 H new ATOM 0 HG23 THR B 67 -7.417 -12.794 8.132 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.977 -15.067 8.869 1.00 0.00 N ATOM 2237 CA GLY B 68 -4.100 -15.421 9.970 1.00 0.00 C ATOM 2238 C GLY B 68 -2.767 -15.966 9.497 1.00 0.00 C ATOM 2239 O GLY B 68 -1.790 -15.972 10.246 1.00 0.00 O ATOM 0 H GLY B 68 -4.740 -14.195 8.396 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -3.930 -14.542 10.592 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -4.591 -16.165 10.597 1.00 0.00 H new ATOM 2243 N SER B 69 -2.727 -16.423 8.249 1.00 0.00 N ATOM 2244 CA SER B 69 -1.506 -16.973 7.673 1.00 0.00 C ATOM 2245 C SER B 69 -0.733 -15.905 6.907 1.00 0.00 C ATOM 2246 O SER B 69 -1.311 -14.928 6.431 1.00 0.00 O ATOM 2247 CB SER B 69 -1.838 -18.141 6.744 1.00 0.00 C ATOM 2248 OG SER B 69 -2.508 -19.177 7.443 1.00 0.00 O ATOM 0 H SER B 69 -3.528 -16.423 7.617 1.00 0.00 H new ATOM 0 HA SER B 69 -0.880 -17.332 8.490 1.00 0.00 H new ATOM 0 HB2 SER B 69 -2.463 -17.790 5.923 1.00 0.00 H new ATOM 0 HB3 SER B 69 -0.921 -18.530 6.303 1.00 0.00 H new ATOM 0 HG SER B 69 -2.710 -19.911 6.826 1.00 0.00 H new ATOM 2254 N LEU B 70 0.577 -16.097 6.794 1.00 0.00 N ATOM 2255 CA LEU B 70 1.432 -15.151 6.084 1.00 0.00 C ATOM 2256 C LEU B 70 1.374 -15.394 4.579 1.00 0.00 C ATOM 2257 O LEU B 70 1.017 -16.482 4.131 1.00 0.00 O ATOM 2258 CB LEU B 70 2.877 -15.270 6.577 1.00 0.00 C ATOM 2259 CG LEU B 70 3.068 -15.085 8.085 1.00 0.00 C ATOM 2260 CD1 LEU B 70 4.515 -15.353 8.473 1.00 0.00 C ATOM 2261 CD2 LEU B 70 2.651 -13.685 8.512 1.00 0.00 C ATOM 0 H LEU B 70 1.071 -16.899 7.185 1.00 0.00 H new ATOM 0 HA LEU B 70 1.068 -14.144 6.287 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.260 -16.251 6.296 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.484 -14.529 6.056 1.00 0.00 H new ATOM 0 HG LEU B 70 2.432 -15.803 8.603 1.00 0.00 H new ATOM 0 HD11 LEU B 70 4.635 -15.217 9.548 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.780 -16.376 8.205 1.00 0.00 H new ATOM 0 HD13 LEU B 70 5.168 -14.658 7.945 1.00 0.00 H new ATOM 0 HD21 LEU B 70 2.795 -13.575 9.587 1.00 0.00 H new ATOM 0 HD22 LEU B 70 3.259 -12.948 7.987 1.00 0.00 H new ATOM 0 HD23 LEU B 70 1.600 -13.528 8.268 1.00 0.00 H new ATOM 2273 N ILE B 71 1.725 -14.372 3.804 1.00 0.00 N ATOM 2274 CA ILE B 71 1.712 -14.476 2.349 1.00 0.00 C ATOM 2275 C ILE B 71 3.113 -14.298 1.770 1.00 0.00 C ATOM 2276 O ILE B 71 3.582 -15.130 0.993 1.00 0.00 O ATOM 2277 CB ILE B 71 0.760 -13.441 1.717 1.00 0.00 C ATOM 2278 CG1 ILE B 71 0.993 -12.053 2.323 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.686 -13.877 1.907 1.00 0.00 C ATOM 2280 CD1 ILE B 71 0.159 -10.961 1.687 1.00 0.00 C ATOM 0 H ILE B 71 2.022 -13.463 4.159 1.00 0.00 H new ATOM 0 HA ILE B 71 1.352 -15.476 2.107 1.00 0.00 H new ATOM 0 HB ILE B 71 0.967 -13.381 0.649 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.773 -12.091 3.390 1.00 0.00 H new ATOM 0 HG13 ILE B 71 2.048 -11.796 2.224 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.351 -13.139 1.457 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.840 -14.844 1.428 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -0.904 -13.960 2.972 1.00 0.00 H new ATOM 0 HD11 ILE B 71 0.379 -10.008 2.169 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.396 -10.894 0.625 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -0.899 -11.194 1.809 1.00 0.00 H new ATOM 2292 N MET B 72 3.777 -13.213 2.156 1.00 0.00 N ATOM 2293 CA MET B 72 5.124 -12.923 1.676 1.00 0.00 C ATOM 2294 C MET B 72 5.909 -12.123 2.709 1.00 0.00 C ATOM 2295 O MET B 72 5.339 -11.595 3.665 1.00 0.00 O ATOM 2296 CB MET B 72 5.070 -12.146 0.358 1.00 0.00 C ATOM 2297 CG MET B 72 4.607 -12.977 -0.827 1.00 0.00 C ATOM 2298 SD MET B 72 4.562 -12.032 -2.362 1.00 0.00 S ATOM 2299 CE MET B 72 4.081 -13.302 -3.529 1.00 0.00 C ATOM 0 H MET B 72 3.403 -12.518 2.802 1.00 0.00 H new ATOM 0 HA MET B 72 5.630 -13.874 1.510 1.00 0.00 H new ATOM 0 HB2 MET B 72 4.400 -11.295 0.476 1.00 0.00 H new ATOM 0 HB3 MET B 72 6.060 -11.745 0.143 1.00 0.00 H new ATOM 0 HG2 MET B 72 5.273 -13.831 -0.950 1.00 0.00 H new ATOM 0 HG3 MET B 72 3.614 -13.375 -0.621 1.00 0.00 H new ATOM 0 HE1 MET B 72 3.873 -12.846 -4.497 1.00 0.00 H new ATOM 0 HE2 MET B 72 4.890 -14.024 -3.635 1.00 0.00 H new ATOM 0 HE3 MET B 72 3.187 -13.809 -3.167 1.00 0.00 H new ATOM 2309 N ILE B 73 7.219 -12.036 2.509 1.00 0.00 N ATOM 2310 CA ILE B 73 8.087 -11.295 3.416 1.00 0.00 C ATOM 2311 C ILE B 73 8.935 -10.292 2.643 1.00 0.00 C ATOM 2312 O ILE B 73 9.487 -10.615 1.590 1.00 0.00 O ATOM 2313 CB ILE B 73 9.012 -12.240 4.208 1.00 0.00 C ATOM 2314 CG1 ILE B 73 8.196 -13.375 4.833 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.766 -11.467 5.283 1.00 0.00 C ATOM 2316 CD1 ILE B 73 9.040 -14.434 5.511 1.00 0.00 C ATOM 0 H ILE B 73 7.704 -12.471 1.724 1.00 0.00 H new ATOM 0 HA ILE B 73 7.445 -10.765 4.120 1.00 0.00 H new ATOM 0 HB ILE B 73 9.741 -12.673 3.523 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.504 -12.953 5.562 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.593 -13.846 4.057 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.415 -12.148 5.833 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.370 -10.689 4.816 1.00 0.00 H new ATOM 0 HG23 ILE B 73 9.054 -11.010 5.970 1.00 0.00 H new ATOM 0 HD11 ILE B 73 8.391 -15.204 5.929 1.00 0.00 H new ATOM 0 HD12 ILE B 73 9.714 -14.884 4.782 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.623 -13.977 6.311 1.00 0.00 H new ATOM 2328 N PHE B 74 9.037 -9.074 3.167 1.00 0.00 N ATOM 2329 CA PHE B 74 9.813 -8.028 2.512 1.00 0.00 C ATOM 2330 C PHE B 74 10.939 -7.543 3.414 1.00 0.00 C ATOM 2331 O PHE B 74 10.782 -7.482 4.631 1.00 0.00 O ATOM 2332 CB PHE B 74 8.915 -6.844 2.147 1.00 0.00 C ATOM 2333 CG PHE B 74 7.667 -7.221 1.399 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.736 -7.739 0.115 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.421 -7.049 1.982 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.585 -8.077 -0.573 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.268 -7.382 1.298 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.350 -7.899 0.020 1.00 0.00 C ATOM 0 H PHE B 74 8.594 -8.788 4.040 1.00 0.00 H new ATOM 0 HA PHE B 74 10.242 -8.452 1.604 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.633 -6.322 3.061 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.488 -6.141 1.543 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.699 -7.880 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.351 -6.650 2.983 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.652 -8.480 -1.573 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.303 -7.238 1.762 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.450 -8.164 -0.515 1.00 0.00 H new ATOM 2348 N GLU B 75 12.068 -7.192 2.808 1.00 0.00 N ATOM 2349 CA GLU B 75 13.215 -6.698 3.560 1.00 0.00 C ATOM 2350 C GLU B 75 13.492 -5.241 3.208 1.00 0.00 C ATOM 2351 O GLU B 75 14.196 -4.947 2.242 1.00 0.00 O ATOM 2352 CB GLU B 75 14.453 -7.548 3.279 1.00 0.00 C ATOM 2353 CG GLU B 75 15.601 -7.285 4.241 1.00 0.00 C ATOM 2354 CD GLU B 75 16.891 -7.951 3.805 1.00 0.00 C ATOM 2355 OE1 GLU B 75 17.646 -7.330 3.027 1.00 0.00 O ATOM 2356 OE2 GLU B 75 17.146 -9.093 4.240 1.00 0.00 O ATOM 0 H GLU B 75 12.213 -7.240 1.800 1.00 0.00 H new ATOM 0 HA GLU B 75 12.981 -6.767 4.622 1.00 0.00 H new ATOM 0 HB2 GLU B 75 14.180 -8.602 3.331 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.792 -7.357 2.261 1.00 0.00 H new ATOM 0 HG2 GLU B 75 15.761 -6.210 4.324 1.00 0.00 H new ATOM 0 HG3 GLU B 75 15.328 -7.644 5.233 1.00 0.00 H new ATOM 2363 N VAL B 76 12.923 -4.335 3.994 1.00 0.00 N ATOM 2364 CA VAL B 76 13.099 -2.905 3.768 1.00 0.00 C ATOM 2365 C VAL B 76 14.393 -2.399 4.399 1.00 0.00 C ATOM 2366 O VAL B 76 14.562 -2.448 5.615 1.00 0.00 O ATOM 2367 CB VAL B 76 11.904 -2.102 4.329 1.00 0.00 C ATOM 2368 CG1 VAL B 76 11.458 -2.662 5.670 1.00 0.00 C ATOM 2369 CG2 VAL B 76 12.262 -0.632 4.466 1.00 0.00 C ATOM 0 H VAL B 76 12.335 -4.565 4.795 1.00 0.00 H new ATOM 0 HA VAL B 76 13.152 -2.755 2.690 1.00 0.00 H new ATOM 0 HB VAL B 76 11.077 -2.194 3.625 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.616 -2.081 6.045 1.00 0.00 H new ATOM 0 HG12 VAL B 76 11.155 -3.702 5.547 1.00 0.00 H new ATOM 0 HG13 VAL B 76 12.283 -2.606 6.380 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.407 -0.085 4.863 1.00 0.00 H new ATOM 0 HG22 VAL B 76 13.108 -0.525 5.145 1.00 0.00 H new ATOM 0 HG23 VAL B 76 12.529 -0.230 3.489 1.00 0.00 H new