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 55 LYS NZ :NH3+ -148:sc= 0.822 (180deg=0) USER MOD Set 1.2: B 43 SER OG : rot 140:sc= 0.406 USER MOD Set 2.1: A 43 SER OG : rot 140:sc= -0.281 USER MOD Set 2.2: B 55 LYS NZ :NH3+ -147:sc= 0.778 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -155:sc= 0.0114 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.475 X(o=-0.48,f=-0.0019) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0625 (180deg=-0.374) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.982 USER MOD Single : A 69 SER OG : rot -89:sc= 1.22 USER MOD Single : A 72 MET CE :methyl -130:sc= -0.328 (180deg=-1.41) USER MOD Single : B 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 58 LYS NZ :NH3+ -153:sc= 0.0265 (180deg=0) USER MOD Single : B 60 ASN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 166:sc= -0.0307 (180deg=-0.274) USER MOD Single : B 67 THR OG1 : rot -154:sc= -0.722 USER MOD Single : B 69 SER OG : rot -72:sc= 1.21 USER MOD Single : B 72 MET CE :methyl -128:sc= -0.393 (180deg=-1.45) USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 13.261 -6.868 7.679 1.00 0.00 N ATOM 582 CA SER A 43 12.364 -7.923 7.217 1.00 0.00 C ATOM 583 C SER A 43 11.176 -8.074 8.161 1.00 0.00 C ATOM 584 O SER A 43 11.334 -8.484 9.312 1.00 0.00 O ATOM 585 CB SER A 43 13.115 -9.252 7.111 1.00 0.00 C ATOM 586 OG SER A 43 14.222 -9.145 6.234 1.00 0.00 O ATOM 0 HA SER A 43 11.993 -7.644 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.458 -9.559 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.438 -10.028 6.754 1.00 0.00 H new ATOM 0 HG SER A 43 14.982 -9.640 6.605 1.00 0.00 H new ATOM 592 N MET A 44 9.986 -7.742 7.666 1.00 0.00 N ATOM 593 CA MET A 44 8.775 -7.827 8.469 1.00 0.00 C ATOM 594 C MET A 44 7.738 -8.734 7.814 1.00 0.00 C ATOM 595 O MET A 44 7.289 -8.477 6.697 1.00 0.00 O ATOM 596 CB MET A 44 8.188 -6.430 8.675 1.00 0.00 C ATOM 597 CG MET A 44 6.855 -6.430 9.401 1.00 0.00 C ATOM 598 SD MET A 44 6.073 -4.808 9.415 1.00 0.00 S ATOM 599 CE MET A 44 4.471 -5.230 10.091 1.00 0.00 C ATOM 0 H MET A 44 9.837 -7.412 6.712 1.00 0.00 H new ATOM 0 HA MET A 44 9.039 -8.258 9.435 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.899 -5.826 9.239 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.063 -5.951 7.704 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.186 -7.147 8.925 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.005 -6.766 10.427 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.859 -4.331 10.166 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.979 -5.950 9.438 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.598 -5.666 11.082 1.00 0.00 H new ATOM 609 N GLU A 45 7.367 -9.795 8.521 1.00 0.00 N ATOM 610 CA GLU A 45 6.373 -10.740 8.031 1.00 0.00 C ATOM 611 C GLU A 45 4.979 -10.118 8.065 1.00 0.00 C ATOM 612 O GLU A 45 4.642 -9.384 8.995 1.00 0.00 O ATOM 613 CB GLU A 45 6.396 -12.011 8.882 1.00 0.00 C ATOM 614 CG GLU A 45 7.789 -12.595 9.062 1.00 0.00 C ATOM 615 CD GLU A 45 7.802 -13.800 9.984 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.900 -13.606 11.213 1.00 0.00 O ATOM 617 OE2 GLU A 45 7.716 -14.938 9.475 1.00 0.00 O ATOM 0 H GLU A 45 7.743 -10.023 9.441 1.00 0.00 H new ATOM 0 HA GLU A 45 6.616 -10.994 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.974 -11.790 9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.753 -12.760 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.187 -12.883 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.451 -11.828 9.463 1.00 0.00 H new ATOM 624 N VAL A 46 4.173 -10.413 7.048 1.00 0.00 N ATOM 625 CA VAL A 46 2.817 -9.879 6.971 1.00 0.00 C ATOM 626 C VAL A 46 1.794 -10.993 6.746 1.00 0.00 C ATOM 627 O VAL A 46 2.093 -11.993 6.091 1.00 0.00 O ATOM 628 CB VAL A 46 2.682 -8.836 5.843 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.697 -7.719 6.023 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.836 -9.489 4.477 1.00 0.00 C ATOM 0 H VAL A 46 4.435 -11.017 6.269 1.00 0.00 H new ATOM 0 HA VAL A 46 2.617 -9.395 7.927 1.00 0.00 H new ATOM 0 HB VAL A 46 1.683 -8.404 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.586 -6.993 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.530 -7.226 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.704 -8.135 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.737 -8.732 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.818 -9.956 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.063 -10.247 4.347 1.00 0.00 H new ATOM 640 N PRO A 47 0.573 -10.837 7.289 1.00 0.00 N ATOM 641 CA PRO A 47 -0.493 -11.814 7.148 1.00 0.00 C ATOM 642 C PRO A 47 -1.526 -11.407 6.099 1.00 0.00 C ATOM 643 O PRO A 47 -1.711 -10.220 5.826 1.00 0.00 O ATOM 644 CB PRO A 47 -1.116 -11.773 8.539 1.00 0.00 C ATOM 645 CG PRO A 47 -0.969 -10.345 8.981 1.00 0.00 C ATOM 646 CD PRO A 47 0.133 -9.725 8.144 1.00 0.00 C ATOM 0 HA PRO A 47 -0.138 -12.791 6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.163 -12.074 8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.606 -12.453 9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.905 -9.803 8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.721 -10.294 10.041 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.234 -8.885 7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.946 -9.348 8.764 1.00 0.00 H new ATOM 654 N ALA A 48 -2.194 -12.396 5.513 1.00 0.00 N ATOM 655 CA ALA A 48 -3.209 -12.130 4.501 1.00 0.00 C ATOM 656 C ALA A 48 -4.367 -11.328 5.093 1.00 0.00 C ATOM 657 O ALA A 48 -4.694 -11.482 6.270 1.00 0.00 O ATOM 658 CB ALA A 48 -3.717 -13.433 3.901 1.00 0.00 C ATOM 0 H ALA A 48 -2.051 -13.384 5.721 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.753 -11.537 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.474 -13.216 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.888 -13.968 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.154 -14.050 4.687 1.00 0.00 H new ATOM 664 N PRO A 49 -5.002 -10.456 4.287 1.00 0.00 N ATOM 665 CA PRO A 49 -6.125 -9.633 4.749 1.00 0.00 C ATOM 666 C PRO A 49 -7.336 -10.470 5.143 1.00 0.00 C ATOM 667 O PRO A 49 -7.869 -10.329 6.245 1.00 0.00 O ATOM 668 CB PRO A 49 -6.455 -8.753 3.536 1.00 0.00 C ATOM 669 CG PRO A 49 -5.896 -9.485 2.364 1.00 0.00 C ATOM 670 CD PRO A 49 -4.679 -10.203 2.870 1.00 0.00 C ATOM 0 HA PRO A 49 -5.867 -9.066 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.531 -8.608 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.008 -7.764 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.624 -10.188 1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.637 -8.796 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.503 -11.131 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.780 -9.596 2.764 1.00 0.00 H new ATOM 678 N PHE A 50 -7.767 -11.343 4.237 1.00 0.00 N ATOM 679 CA PHE A 50 -8.918 -12.201 4.489 1.00 0.00 C ATOM 680 C PHE A 50 -8.785 -13.527 3.745 1.00 0.00 C ATOM 681 O PHE A 50 -8.103 -13.609 2.723 1.00 0.00 O ATOM 682 CB PHE A 50 -10.208 -11.494 4.061 1.00 0.00 C ATOM 683 CG PHE A 50 -10.278 -11.206 2.587 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.622 -10.110 2.050 1.00 0.00 C ATOM 685 CD2 PHE A 50 -10.997 -12.033 1.738 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.682 -9.843 0.696 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.061 -11.771 0.382 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.401 -10.675 -0.140 1.00 0.00 C ATOM 0 H PHE A 50 -7.336 -11.474 3.322 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.958 -12.407 5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.061 -12.111 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.298 -10.557 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.057 -9.456 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.513 -12.892 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.167 -8.984 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.626 -12.422 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.447 -10.469 -1.199 1.00 0.00 H new ATOM 698 N ALA A 51 -9.438 -14.563 4.265 1.00 0.00 N ATOM 699 CA ALA A 51 -9.399 -15.879 3.641 1.00 0.00 C ATOM 700 C ALA A 51 -9.943 -15.809 2.220 1.00 0.00 C ATOM 701 O ALA A 51 -10.948 -15.144 1.964 1.00 0.00 O ATOM 702 CB ALA A 51 -10.187 -16.883 4.467 1.00 0.00 C ATOM 0 H ALA A 51 -9.999 -14.515 5.115 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.362 -16.211 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.147 -17.861 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.755 -16.952 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.225 -16.558 4.542 1.00 0.00 H new ATOM 708 N GLY A 52 -9.280 -16.498 1.298 1.00 0.00 N ATOM 709 CA GLY A 52 -9.714 -16.477 -0.088 1.00 0.00 C ATOM 710 C GLY A 52 -9.092 -17.575 -0.921 1.00 0.00 C ATOM 711 O GLY A 52 -8.418 -18.460 -0.395 1.00 0.00 O ATOM 0 H GLY A 52 -8.454 -17.068 1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.799 -16.572 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.464 -15.511 -0.526 1.00 0.00 H new ATOM 715 N VAL A 53 -9.331 -17.519 -2.224 1.00 0.00 N ATOM 716 CA VAL A 53 -8.789 -18.502 -3.149 1.00 0.00 C ATOM 717 C VAL A 53 -7.906 -17.823 -4.188 1.00 0.00 C ATOM 718 O VAL A 53 -8.335 -16.887 -4.863 1.00 0.00 O ATOM 719 CB VAL A 53 -9.908 -19.280 -3.867 1.00 0.00 C ATOM 720 CG1 VAL A 53 -9.324 -20.402 -4.713 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.910 -19.827 -2.860 1.00 0.00 C ATOM 0 H VAL A 53 -9.901 -16.797 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.196 -19.206 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.433 -18.593 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.131 -20.939 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.651 -19.982 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.771 -21.090 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.693 -20.373 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.401 -20.498 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.354 -19.002 -2.304 1.00 0.00 H new ATOM 731 N VAL A 54 -6.673 -18.297 -4.314 1.00 0.00 N ATOM 732 CA VAL A 54 -5.732 -17.720 -5.265 1.00 0.00 C ATOM 733 C VAL A 54 -6.115 -18.067 -6.700 1.00 0.00 C ATOM 734 O VAL A 54 -5.879 -19.181 -7.167 1.00 0.00 O ATOM 735 CB VAL A 54 -4.294 -18.197 -4.993 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.331 -17.607 -6.013 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.873 -17.832 -3.578 1.00 0.00 C ATOM 0 H VAL A 54 -6.302 -19.077 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.775 -16.639 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.266 -19.282 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.320 -17.956 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.624 -17.922 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.359 -16.519 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.854 -18.176 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.917 -16.750 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.545 -18.308 -2.864 1.00 0.00 H new ATOM 747 N LYS A 55 -6.711 -17.100 -7.393 1.00 0.00 N ATOM 748 CA LYS A 55 -7.126 -17.295 -8.776 1.00 0.00 C ATOM 749 C LYS A 55 -5.958 -17.070 -9.735 1.00 0.00 C ATOM 750 O LYS A 55 -5.737 -17.863 -10.652 1.00 0.00 O ATOM 751 CB LYS A 55 -8.282 -16.353 -9.126 1.00 0.00 C ATOM 752 CG LYS A 55 -7.986 -14.888 -8.845 1.00 0.00 C ATOM 753 CD LYS A 55 -9.040 -13.974 -9.452 1.00 0.00 C ATOM 754 CE LYS A 55 -10.401 -14.166 -8.798 1.00 0.00 C ATOM 755 NZ LYS A 55 -11.428 -13.257 -9.379 1.00 0.00 N ATOM 0 H LYS A 55 -6.917 -16.174 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.465 -18.325 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.526 -16.469 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.165 -16.651 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.941 -14.726 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.006 -14.631 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.727 -12.936 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.120 -14.171 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.720 -15.201 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.318 -13.983 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.119 -13.000 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.967 -12.396 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.916 -13.739 -10.161 1.00 0.00 H new ATOM 769 N GLU A 56 -5.211 -15.989 -9.520 1.00 0.00 N ATOM 770 CA GLU A 56 -4.070 -15.669 -10.372 1.00 0.00 C ATOM 771 C GLU A 56 -3.158 -14.641 -9.708 1.00 0.00 C ATOM 772 O GLU A 56 -3.577 -13.520 -9.418 1.00 0.00 O ATOM 773 CB GLU A 56 -4.550 -15.138 -11.725 1.00 0.00 C ATOM 774 CG GLU A 56 -3.418 -14.796 -12.682 1.00 0.00 C ATOM 775 CD GLU A 56 -3.916 -14.235 -13.999 1.00 0.00 C ATOM 776 OE1 GLU A 56 -4.069 -13.000 -14.099 1.00 0.00 O ATOM 777 OE2 GLU A 56 -4.153 -15.032 -14.932 1.00 0.00 O ATOM 0 H GLU A 56 -5.375 -15.323 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.501 -16.586 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.195 -15.883 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.158 -14.248 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.755 -14.071 -12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.826 -15.691 -12.873 1.00 0.00 H new ATOM 784 N LEU A 57 -1.910 -15.033 -9.471 1.00 0.00 N ATOM 785 CA LEU A 57 -0.933 -14.148 -8.845 1.00 0.00 C ATOM 786 C LEU A 57 -0.759 -12.866 -9.656 1.00 0.00 C ATOM 787 O LEU A 57 -0.920 -12.868 -10.877 1.00 0.00 O ATOM 788 CB LEU A 57 0.418 -14.858 -8.696 1.00 0.00 C ATOM 789 CG LEU A 57 1.285 -14.909 -9.961 1.00 0.00 C ATOM 790 CD1 LEU A 57 2.662 -15.468 -9.639 1.00 0.00 C ATOM 791 CD2 LEU A 57 0.616 -15.742 -11.046 1.00 0.00 C ATOM 0 H LEU A 57 -1.551 -15.959 -9.703 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.306 -13.884 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.985 -14.360 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.236 -15.879 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 57 1.399 -13.891 -10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.264 -15.497 -10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.150 -14.831 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.561 -16.477 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.250 -15.763 -11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.466 -16.759 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.348 -15.302 -11.300 1.00 0.00 H new ATOM 803 N LYS A 58 -0.430 -11.776 -8.969 1.00 0.00 N ATOM 804 CA LYS A 58 -0.232 -10.489 -9.625 1.00 0.00 C ATOM 805 C LYS A 58 1.197 -9.994 -9.427 1.00 0.00 C ATOM 806 O LYS A 58 1.596 -8.975 -9.989 1.00 0.00 O ATOM 807 CB LYS A 58 -1.222 -9.455 -9.082 1.00 0.00 C ATOM 808 CG LYS A 58 -2.677 -9.793 -9.366 1.00 0.00 C ATOM 809 CD LYS A 58 -2.977 -9.771 -10.857 1.00 0.00 C ATOM 810 CE LYS A 58 -4.443 -10.062 -11.133 1.00 0.00 C ATOM 811 NZ LYS A 58 -4.745 -10.048 -12.591 1.00 0.00 N ATOM 0 H LYS A 58 -0.295 -11.759 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.408 -10.623 -10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.083 -9.363 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.993 -8.482 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.907 -10.779 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.323 -9.080 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.715 -8.796 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.356 -10.509 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.705 -11.035 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.062 -9.322 -10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.751 -9.826 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.161 -9.326 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.535 -10.982 -12.998 1.00 0.00 H new ATOM 825 N VAL A 59 1.963 -10.726 -8.622 1.00 0.00 N ATOM 826 CA VAL A 59 3.349 -10.366 -8.348 1.00 0.00 C ATOM 827 C VAL A 59 4.292 -11.513 -8.696 1.00 0.00 C ATOM 828 O VAL A 59 3.942 -12.684 -8.554 1.00 0.00 O ATOM 829 CB VAL A 59 3.547 -9.981 -6.870 1.00 0.00 C ATOM 830 CG1 VAL A 59 2.781 -8.709 -6.542 1.00 0.00 C ATOM 831 CG2 VAL A 59 3.117 -11.120 -5.957 1.00 0.00 C ATOM 0 H VAL A 59 1.646 -11.572 -8.149 1.00 0.00 H new ATOM 0 HA VAL A 59 3.583 -9.504 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 59 4.608 -9.793 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.933 -8.453 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.142 -7.895 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.718 -8.866 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.265 -10.828 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.063 -11.343 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.715 -12.005 -6.174 1.00 0.00 H new ATOM 841 N ASN A 60 5.490 -11.165 -9.155 1.00 0.00 N ATOM 842 CA ASN A 60 6.488 -12.161 -9.524 1.00 0.00 C ATOM 843 C ASN A 60 7.630 -12.179 -8.513 1.00 0.00 C ATOM 844 O ASN A 60 7.956 -11.156 -7.913 1.00 0.00 O ATOM 845 CB ASN A 60 7.038 -11.872 -10.924 1.00 0.00 C ATOM 846 CG ASN A 60 5.943 -11.583 -11.937 1.00 0.00 C ATOM 847 OD1 ASN A 60 6.131 -10.783 -12.854 1.00 0.00 O ATOM 848 ND2 ASN A 60 4.795 -12.237 -11.786 1.00 0.00 N ATOM 0 H ASN A 60 5.793 -10.199 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 60 6.007 -13.139 -9.526 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.716 -11.020 -10.875 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.624 -12.726 -11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.030 -12.084 -12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.679 -12.892 -11.013 1.00 0.00 H new ATOM 855 N VAL A 61 8.232 -13.350 -8.328 1.00 0.00 N ATOM 856 CA VAL A 61 9.336 -13.501 -7.389 1.00 0.00 C ATOM 857 C VAL A 61 10.533 -12.655 -7.811 1.00 0.00 C ATOM 858 O VAL A 61 11.075 -12.829 -8.903 1.00 0.00 O ATOM 859 CB VAL A 61 9.778 -14.972 -7.273 1.00 0.00 C ATOM 860 CG1 VAL A 61 10.822 -15.132 -6.180 1.00 0.00 C ATOM 861 CG2 VAL A 61 8.578 -15.870 -7.012 1.00 0.00 C ATOM 0 H VAL A 61 7.973 -14.207 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 61 8.976 -13.160 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 61 10.229 -15.273 -8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.122 -16.178 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.692 -14.519 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.402 -14.814 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.909 -16.906 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.095 -15.571 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.869 -15.778 -7.834 1.00 0.00 H new ATOM 871 N GLY A 62 10.942 -11.740 -6.936 1.00 0.00 N ATOM 872 CA GLY A 62 12.071 -10.878 -7.235 1.00 0.00 C ATOM 873 C GLY A 62 11.642 -9.473 -7.607 1.00 0.00 C ATOM 874 O GLY A 62 12.425 -8.529 -7.504 1.00 0.00 O ATOM 0 H GLY A 62 10.511 -11.581 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.732 -10.836 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.646 -11.308 -8.055 1.00 0.00 H new ATOM 878 N ASP A 63 10.393 -9.335 -8.044 1.00 0.00 N ATOM 879 CA ASP A 63 9.855 -8.037 -8.436 1.00 0.00 C ATOM 880 C ASP A 63 9.484 -7.206 -7.211 1.00 0.00 C ATOM 881 O ASP A 63 8.527 -7.521 -6.503 1.00 0.00 O ATOM 882 CB ASP A 63 8.629 -8.221 -9.333 1.00 0.00 C ATOM 883 CG ASP A 63 8.007 -6.901 -9.744 1.00 0.00 C ATOM 884 OD1 ASP A 63 8.502 -6.288 -10.714 1.00 0.00 O ATOM 885 OD2 ASP A 63 7.027 -6.480 -9.094 1.00 0.00 O ATOM 0 H ASP A 63 9.734 -10.108 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 63 10.627 -7.505 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.916 -8.777 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.886 -8.821 -8.808 1.00 0.00 H new ATOM 890 N LYS A 64 10.251 -6.146 -6.971 1.00 0.00 N ATOM 891 CA LYS A 64 10.017 -5.259 -5.833 1.00 0.00 C ATOM 892 C LYS A 64 8.552 -4.838 -5.746 1.00 0.00 C ATOM 893 O LYS A 64 7.853 -4.765 -6.756 1.00 0.00 O ATOM 894 CB LYS A 64 10.904 -4.017 -5.939 1.00 0.00 C ATOM 895 CG LYS A 64 10.670 -3.209 -7.205 1.00 0.00 C ATOM 896 CD LYS A 64 11.530 -1.958 -7.234 1.00 0.00 C ATOM 897 CE LYS A 64 11.314 -1.161 -8.509 1.00 0.00 C ATOM 898 NZ LYS A 64 12.150 0.071 -8.542 1.00 0.00 N ATOM 0 H LYS A 64 11.045 -5.879 -7.553 1.00 0.00 H new ATOM 0 HA LYS A 64 10.269 -5.810 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.727 -3.379 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.949 -4.323 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.892 -3.824 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.618 -2.930 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.296 -1.335 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.581 -2.236 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.551 -1.784 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.262 -0.888 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.974 0.587 -9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.906 0.678 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.155 -0.190 -8.488 1.00 0.00 H new ATOM 912 N VAL A 65 8.097 -4.565 -4.526 1.00 0.00 N ATOM 913 CA VAL A 65 6.720 -4.150 -4.294 1.00 0.00 C ATOM 914 C VAL A 65 6.665 -2.717 -3.771 1.00 0.00 C ATOM 915 O VAL A 65 7.657 -2.197 -3.258 1.00 0.00 O ATOM 916 CB VAL A 65 6.018 -5.087 -3.287 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.540 -4.853 -1.877 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.508 -4.906 -3.342 1.00 0.00 C ATOM 0 H VAL A 65 8.666 -4.625 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 65 6.200 -4.204 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 65 6.246 -6.116 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.031 -5.524 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.612 -5.047 -1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.351 -3.820 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.035 -5.576 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.256 -3.874 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.150 -5.138 -4.345 1.00 0.00 H new ATOM 928 N LYS A 66 5.505 -2.084 -3.905 1.00 0.00 N ATOM 929 CA LYS A 66 5.322 -0.713 -3.443 1.00 0.00 C ATOM 930 C LYS A 66 3.938 -0.529 -2.829 1.00 0.00 C ATOM 931 O LYS A 66 2.972 -1.163 -3.253 1.00 0.00 O ATOM 932 CB LYS A 66 5.522 0.271 -4.597 1.00 0.00 C ATOM 933 CG LYS A 66 6.949 0.310 -5.121 1.00 0.00 C ATOM 934 CD LYS A 66 7.093 1.276 -6.287 1.00 0.00 C ATOM 935 CE LYS A 66 6.905 2.719 -5.846 1.00 0.00 C ATOM 936 NZ LYS A 66 7.927 3.130 -4.844 1.00 0.00 N ATOM 0 H LYS A 66 4.676 -2.499 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 66 6.069 -0.511 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.851 0.003 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.238 1.270 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.624 0.606 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.248 -0.689 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.078 1.158 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.360 1.031 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.964 3.375 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.909 2.842 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.943 4.167 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.690 2.720 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.863 2.790 -5.143 1.00 0.00 H new ATOM 950 N THR A 67 3.850 0.339 -1.827 1.00 0.00 N ATOM 951 CA THR A 67 2.585 0.603 -1.154 1.00 0.00 C ATOM 952 C THR A 67 1.571 1.224 -2.111 1.00 0.00 C ATOM 953 O THR A 67 1.833 2.263 -2.716 1.00 0.00 O ATOM 954 CB THR A 67 2.774 1.544 0.051 1.00 0.00 C ATOM 955 OG1 THR A 67 3.842 1.071 0.881 1.00 0.00 O ATOM 956 CG2 THR A 67 1.495 1.636 0.870 1.00 0.00 C ATOM 0 H THR A 67 4.640 0.872 -1.463 1.00 0.00 H new ATOM 0 HA THR A 67 2.210 -0.358 -0.802 1.00 0.00 H new ATOM 0 HB THR A 67 3.020 2.536 -0.327 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.956 1.676 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.652 2.306 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.690 2.023 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.226 0.645 1.237 1.00 0.00 H new ATOM 964 N GLY A 68 0.415 0.578 -2.243 1.00 0.00 N ATOM 965 CA GLY A 68 -0.622 1.084 -3.125 1.00 0.00 C ATOM 966 C GLY A 68 -0.843 0.203 -4.339 1.00 0.00 C ATOM 967 O GLY A 68 -1.866 0.313 -5.016 1.00 0.00 O ATOM 0 H GLY A 68 0.179 -0.286 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.556 1.169 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.354 2.088 -3.454 1.00 0.00 H new ATOM 971 N SER A 69 0.118 -0.674 -4.617 1.00 0.00 N ATOM 972 CA SER A 69 0.022 -1.577 -5.761 1.00 0.00 C ATOM 973 C SER A 69 -0.705 -2.863 -5.382 1.00 0.00 C ATOM 974 O SER A 69 -0.774 -3.225 -4.207 1.00 0.00 O ATOM 975 CB SER A 69 1.417 -1.906 -6.293 1.00 0.00 C ATOM 976 OG SER A 69 2.178 -2.609 -5.326 1.00 0.00 O ATOM 0 H SER A 69 0.971 -0.779 -4.067 1.00 0.00 H new ATOM 0 HA SER A 69 -0.550 -1.075 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.332 -2.505 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.932 -0.985 -6.567 1.00 0.00 H new ATOM 0 HG SER A 69 2.664 -1.970 -4.764 1.00 0.00 H new ATOM 982 N LEU A 70 -1.244 -3.548 -6.385 1.00 0.00 N ATOM 983 CA LEU A 70 -1.966 -4.796 -6.163 1.00 0.00 C ATOM 984 C LEU A 70 -0.994 -5.960 -5.994 1.00 0.00 C ATOM 985 O LEU A 70 0.079 -5.976 -6.597 1.00 0.00 O ATOM 986 CB LEU A 70 -2.919 -5.074 -7.329 1.00 0.00 C ATOM 987 CG LEU A 70 -4.142 -4.154 -7.416 1.00 0.00 C ATOM 988 CD1 LEU A 70 -3.732 -2.745 -7.818 1.00 0.00 C ATOM 989 CD2 LEU A 70 -5.158 -4.713 -8.399 1.00 0.00 C ATOM 0 H LEU A 70 -1.194 -3.259 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.548 -4.695 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.359 -4.993 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.266 -6.105 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.603 -4.106 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.617 -2.110 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.042 -2.342 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.244 -2.772 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.020 -4.048 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.703 -4.792 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.480 -5.700 -8.067 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.375 -6.933 -5.169 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.533 -8.098 -4.922 1.00 0.00 C ATOM 1003 C ILE A 71 -1.223 -9.387 -5.358 1.00 0.00 C ATOM 1004 O ILE A 71 -0.607 -10.249 -5.986 1.00 0.00 O ATOM 1005 CB ILE A 71 -0.147 -8.207 -3.433 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -1.392 -8.085 -2.551 1.00 0.00 C ATOM 1007 CG2 ILE A 71 0.876 -7.138 -3.077 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -1.124 -8.315 -1.078 1.00 0.00 C ATOM 0 H ILE A 71 -2.260 -6.937 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 71 0.372 -7.962 -5.515 1.00 0.00 H new ATOM 0 HB ILE A 71 0.302 -9.184 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.822 -7.092 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.138 -8.803 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.141 -7.225 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.769 -7.271 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.452 -6.152 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.054 -8.212 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.723 -9.318 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.402 -7.581 -0.721 1.00 0.00 H new ATOM 1020 N MET A 72 -2.501 -9.516 -5.016 1.00 0.00 N ATOM 1021 CA MET A 72 -3.276 -10.701 -5.374 1.00 0.00 C ATOM 1022 C MET A 72 -4.761 -10.471 -5.115 1.00 0.00 C ATOM 1023 O MET A 72 -5.133 -9.726 -4.207 1.00 0.00 O ATOM 1024 CB MET A 72 -2.782 -11.914 -4.582 1.00 0.00 C ATOM 1025 CG MET A 72 -3.418 -13.226 -5.015 1.00 0.00 C ATOM 1026 SD MET A 72 -2.675 -14.656 -4.205 1.00 0.00 S ATOM 1027 CE MET A 72 -1.001 -14.579 -4.837 1.00 0.00 C ATOM 0 H MET A 72 -3.023 -8.814 -4.491 1.00 0.00 H new ATOM 0 HA MET A 72 -3.139 -10.895 -6.438 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.700 -11.992 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.986 -11.753 -3.523 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.485 -13.200 -4.792 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.321 -13.334 -6.095 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.714 -15.556 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.948 -13.840 -5.636 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.322 -14.294 -4.034 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.607 -11.113 -5.914 1.00 0.00 N ATOM 1038 CA ILE A 73 -7.052 -10.967 -5.769 1.00 0.00 C ATOM 1039 C ILE A 73 -7.695 -12.275 -5.321 1.00 0.00 C ATOM 1040 O ILE A 73 -7.384 -13.343 -5.848 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.708 -10.519 -7.091 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.815 -9.510 -7.825 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -9.084 -9.926 -6.824 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -6.499 -8.266 -7.019 1.00 0.00 C ATOM 0 H ILE A 73 -5.319 -11.738 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.216 -10.202 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.827 -11.393 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.881 -10.000 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.305 -9.215 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.535 -9.614 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.717 -10.675 -6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.987 -9.063 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.864 -7.603 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.426 -7.751 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.980 -8.548 -6.103 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.591 -12.182 -4.342 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.286 -13.358 -3.825 1.00 0.00 C ATOM 1058 C PHE A 74 -10.777 -13.290 -4.122 1.00 0.00 C ATOM 1059 O PHE A 74 -11.414 -12.262 -3.901 1.00 0.00 O ATOM 1060 CB PHE A 74 -9.093 -13.473 -2.316 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.663 -13.454 -1.884 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.833 -14.526 -2.152 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -7.150 -12.366 -1.202 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.515 -14.516 -1.749 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.834 -12.349 -0.791 1.00 0.00 C ATOM 1066 CZ PHE A 74 -5.012 -13.423 -1.064 1.00 0.00 C ATOM 0 H PHE A 74 -8.853 -11.305 -3.891 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.861 -14.231 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.620 -12.653 -1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.554 -14.398 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.222 -15.382 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.787 -11.520 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.876 -15.359 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.447 -11.495 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.980 -13.411 -0.745 1.00 0.00 H new ATOM 1076 N GLU A 75 -11.328 -14.393 -4.614 1.00 0.00 N ATOM 1077 CA GLU A 75 -12.751 -14.461 -4.917 1.00 0.00 C ATOM 1078 C GLU A 75 -13.498 -15.145 -3.779 1.00 0.00 C ATOM 1079 O GLU A 75 -13.608 -16.370 -3.743 1.00 0.00 O ATOM 1080 CB GLU A 75 -12.989 -15.218 -6.226 1.00 0.00 C ATOM 1081 CG GLU A 75 -14.446 -15.245 -6.655 1.00 0.00 C ATOM 1082 CD GLU A 75 -14.684 -16.140 -7.855 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -14.532 -15.657 -8.996 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -15.025 -17.325 -7.652 1.00 0.00 O ATOM 0 H GLU A 75 -10.812 -15.250 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.127 -13.444 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.395 -14.758 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.633 -16.242 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.060 -15.589 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.770 -14.232 -6.892 1.00 0.00 H new ATOM 1091 N VAL A 76 -13.999 -14.346 -2.843 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.730 -14.880 -1.700 1.00 0.00 C ATOM 1093 C VAL A 76 -16.227 -14.940 -1.981 1.00 0.00 C ATOM 1094 O VAL A 76 -16.875 -13.916 -2.194 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.475 -14.043 -0.427 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -14.599 -12.558 -0.722 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -15.429 -14.449 0.688 1.00 0.00 C ATOM 0 H VAL A 76 -13.913 -13.330 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.362 -15.892 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.456 -14.240 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.415 -11.989 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.868 -12.275 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.603 -12.342 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.231 -13.846 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.457 -14.289 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.283 -15.503 0.926 1.00 0.00 H new ATOM 1853 N SER B 43 -14.918 -11.115 -5.391 1.00 0.00 N ATOM 1854 CA SER B 43 -13.518 -10.842 -5.693 1.00 0.00 C ATOM 1855 C SER B 43 -13.131 -9.436 -5.246 1.00 0.00 C ATOM 1856 O SER B 43 -13.551 -8.447 -5.847 1.00 0.00 O ATOM 1857 CB SER B 43 -13.259 -11.003 -7.193 1.00 0.00 C ATOM 1858 OG SER B 43 -13.562 -12.317 -7.624 1.00 0.00 O ATOM 0 HA SER B 43 -12.906 -11.559 -5.146 1.00 0.00 H new ATOM 0 HB2 SER B 43 -13.864 -10.286 -7.749 1.00 0.00 H new ATOM 0 HB3 SER B 43 -12.215 -10.777 -7.411 1.00 0.00 H new ATOM 0 HG SER B 43 -14.005 -12.281 -8.497 1.00 0.00 H new ATOM 1864 N MET B 44 -12.332 -9.352 -4.186 1.00 0.00 N ATOM 1865 CA MET B 44 -11.894 -8.067 -3.659 1.00 0.00 C ATOM 1866 C MET B 44 -10.389 -7.883 -3.838 1.00 0.00 C ATOM 1867 O MET B 44 -9.598 -8.724 -3.412 1.00 0.00 O ATOM 1868 CB MET B 44 -12.262 -7.954 -2.179 1.00 0.00 C ATOM 1869 CG MET B 44 -11.775 -6.676 -1.523 1.00 0.00 C ATOM 1870 SD MET B 44 -12.025 -6.675 0.261 1.00 0.00 S ATOM 1871 CE MET B 44 -11.146 -5.184 0.717 1.00 0.00 C ATOM 0 H MET B 44 -11.975 -10.160 -3.676 1.00 0.00 H new ATOM 0 HA MET B 44 -12.402 -7.281 -4.218 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.346 -8.013 -2.078 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.845 -8.808 -1.644 1.00 0.00 H new ATOM 0 HG2 MET B 44 -10.715 -6.543 -1.738 1.00 0.00 H new ATOM 0 HG3 MET B 44 -12.298 -5.825 -1.960 1.00 0.00 H new ATOM 0 HE1 MET B 44 -11.207 -5.041 1.796 1.00 0.00 H new ATOM 0 HE2 MET B 44 -10.101 -5.273 0.421 1.00 0.00 H new ATOM 0 HE3 MET B 44 -11.594 -4.328 0.212 1.00 0.00 H new ATOM 1881 N GLU B 45 -10.005 -6.778 -4.469 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.596 -6.478 -4.700 1.00 0.00 C ATOM 1883 C GLU B 45 -7.952 -5.922 -3.433 1.00 0.00 C ATOM 1884 O GLU B 45 -8.562 -5.127 -2.717 1.00 0.00 O ATOM 1885 CB GLU B 45 -8.452 -5.471 -5.843 1.00 0.00 C ATOM 1886 CG GLU B 45 -9.173 -5.885 -7.115 1.00 0.00 C ATOM 1887 CD GLU B 45 -9.093 -4.829 -8.198 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -9.944 -3.914 -8.198 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -8.182 -4.916 -9.047 1.00 0.00 O ATOM 0 H GLU B 45 -10.650 -6.075 -4.830 1.00 0.00 H new ATOM 0 HA GLU B 45 -8.087 -7.402 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.837 -4.505 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.393 -5.334 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.742 -6.815 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.219 -6.087 -6.886 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.719 -6.341 -3.159 1.00 0.00 N ATOM 1897 CA VAL B 46 -6.009 -5.880 -1.971 1.00 0.00 C ATOM 1898 C VAL B 46 -4.655 -5.265 -2.328 1.00 0.00 C ATOM 1899 O VAL B 46 -4.001 -5.699 -3.277 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.787 -7.028 -0.964 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -7.104 -7.705 -0.625 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.789 -8.039 -1.507 1.00 0.00 C ATOM 0 H VAL B 46 -6.194 -6.995 -3.740 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.638 -5.117 -1.513 1.00 0.00 H new ATOM 0 HB VAL B 46 -5.375 -6.602 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.926 -8.512 0.086 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.785 -6.977 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.547 -8.113 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.649 -8.839 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -5.167 -8.459 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.835 -7.545 -1.692 1.00 0.00 H new ATOM 1912 N PRO B 47 -4.218 -4.238 -1.573 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.947 -3.571 -1.792 1.00 0.00 C ATOM 1914 C PRO B 47 -1.874 -4.025 -0.804 1.00 0.00 C ATOM 1915 O PRO B 47 -2.183 -4.481 0.297 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.324 -2.117 -1.527 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.382 -2.182 -0.461 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.951 -3.589 -0.476 1.00 0.00 C ATOM 0 HA PRO B 47 -2.522 -3.770 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.462 -1.539 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.701 -1.635 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -3.958 -1.949 0.516 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -5.165 -1.448 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.788 -4.099 0.474 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -6.026 -3.586 -0.656 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.612 -3.901 -1.206 1.00 0.00 N ATOM 1927 CA ALA B 48 0.502 -4.300 -0.354 1.00 0.00 C ATOM 1928 C ALA B 48 0.562 -3.437 0.906 1.00 0.00 C ATOM 1929 O ALA B 48 0.235 -2.250 0.864 1.00 0.00 O ATOM 1930 CB ALA B 48 1.813 -4.212 -1.122 1.00 0.00 C ATOM 0 H ALA B 48 -0.337 -3.528 -2.115 1.00 0.00 H new ATOM 0 HA ALA B 48 0.344 -5.334 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.636 -4.513 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.773 -4.873 -1.987 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.971 -3.187 -1.456 1.00 0.00 H new ATOM 1936 N PRO B 49 0.980 -4.018 2.048 1.00 0.00 N ATOM 1937 CA PRO B 49 1.072 -3.285 3.316 1.00 0.00 C ATOM 1938 C PRO B 49 2.073 -2.135 3.252 1.00 0.00 C ATOM 1939 O PRO B 49 1.737 -0.991 3.565 1.00 0.00 O ATOM 1940 CB PRO B 49 1.539 -4.345 4.322 1.00 0.00 C ATOM 1941 CG PRO B 49 2.145 -5.426 3.495 1.00 0.00 C ATOM 1942 CD PRO B 49 1.393 -5.426 2.195 1.00 0.00 C ATOM 0 HA PRO B 49 0.121 -2.822 3.581 1.00 0.00 H new ATOM 0 HB2 PRO B 49 2.264 -3.931 5.022 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.704 -4.722 4.913 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.207 -5.243 3.331 1.00 0.00 H new ATOM 0 HG3 PRO B 49 2.062 -6.392 3.994 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.022 -5.750 1.366 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.534 -6.097 2.226 1.00 0.00 H new ATOM 1950 N PHE B 50 3.300 -2.443 2.845 1.00 0.00 N ATOM 1951 CA PHE B 50 4.348 -1.432 2.739 1.00 0.00 C ATOM 1952 C PHE B 50 5.322 -1.775 1.618 1.00 0.00 C ATOM 1953 O PHE B 50 5.423 -2.928 1.200 1.00 0.00 O ATOM 1954 CB PHE B 50 5.104 -1.306 4.065 1.00 0.00 C ATOM 1955 CG PHE B 50 5.822 -2.562 4.471 1.00 0.00 C ATOM 1956 CD1 PHE B 50 5.133 -3.609 5.059 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.187 -2.695 4.266 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.789 -4.765 5.435 1.00 0.00 C ATOM 1959 CE2 PHE B 50 7.849 -3.849 4.640 1.00 0.00 C ATOM 1960 CZ PHE B 50 7.147 -4.886 5.226 1.00 0.00 C ATOM 0 H PHE B 50 3.594 -3.384 2.583 1.00 0.00 H new ATOM 0 HA PHE B 50 3.874 -0.478 2.507 1.00 0.00 H new ATOM 0 HB2 PHE B 50 5.827 -0.494 3.986 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.400 -1.030 4.850 1.00 0.00 H new ATOM 0 HD1 PHE B 50 4.070 -3.521 5.226 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.739 -1.887 3.809 1.00 0.00 H new ATOM 0 HE1 PHE B 50 5.239 -5.574 5.893 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.912 -3.941 4.475 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.661 -5.789 5.520 1.00 0.00 H new ATOM 1970 N ALA B 51 6.037 -0.764 1.135 1.00 0.00 N ATOM 1971 CA ALA B 51 7.007 -0.957 0.063 1.00 0.00 C ATOM 1972 C ALA B 51 8.188 -1.792 0.542 1.00 0.00 C ATOM 1973 O ALA B 51 8.733 -1.555 1.620 1.00 0.00 O ATOM 1974 CB ALA B 51 7.487 0.389 -0.461 1.00 0.00 C ATOM 0 H ALA B 51 5.963 0.197 1.469 1.00 0.00 H new ATOM 0 HA ALA B 51 6.518 -1.496 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.211 0.231 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA B 51 6.638 0.953 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA B 51 7.957 0.948 0.348 1.00 0.00 H new ATOM 1980 N GLY B 52 8.580 -2.772 -0.266 1.00 0.00 N ATOM 1981 CA GLY B 52 9.697 -3.626 0.092 1.00 0.00 C ATOM 1982 C GLY B 52 10.244 -4.393 -1.096 1.00 0.00 C ATOM 1983 O GLY B 52 9.952 -4.062 -2.245 1.00 0.00 O ATOM 0 H GLY B 52 8.144 -2.990 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.491 -3.018 0.525 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.380 -4.331 0.861 1.00 0.00 H new ATOM 1987 N VAL B 53 11.037 -5.422 -0.818 1.00 0.00 N ATOM 1988 CA VAL B 53 11.630 -6.238 -1.870 1.00 0.00 C ATOM 1989 C VAL B 53 11.254 -7.706 -1.701 1.00 0.00 C ATOM 1990 O VAL B 53 11.385 -8.270 -0.615 1.00 0.00 O ATOM 1991 CB VAL B 53 13.165 -6.108 -1.882 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.758 -6.845 -3.074 1.00 0.00 C ATOM 1993 CG2 VAL B 53 13.574 -4.643 -1.892 1.00 0.00 C ATOM 0 H VAL B 53 11.284 -5.711 0.129 1.00 0.00 H new ATOM 0 HA VAL B 53 11.236 -5.872 -2.818 1.00 0.00 H new ATOM 0 HB VAL B 53 13.557 -6.566 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.843 -6.740 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.495 -7.901 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL B 53 13.362 -6.422 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL B 53 14.661 -4.569 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL B 53 13.170 -4.159 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL B 53 13.184 -4.150 -1.002 1.00 0.00 H new ATOM 2003 N VAL B 54 10.783 -8.317 -2.783 1.00 0.00 N ATOM 2004 CA VAL B 54 10.386 -9.719 -2.756 1.00 0.00 C ATOM 2005 C VAL B 54 11.605 -10.634 -2.705 1.00 0.00 C ATOM 2006 O VAL B 54 12.289 -10.831 -3.710 1.00 0.00 O ATOM 2007 CB VAL B 54 9.526 -10.079 -3.984 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.177 -11.560 -3.981 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.265 -9.229 -4.015 1.00 0.00 C ATOM 0 H VAL B 54 10.667 -7.863 -3.689 1.00 0.00 H new ATOM 0 HA VAL B 54 9.793 -9.867 -1.854 1.00 0.00 H new ATOM 0 HB VAL B 54 10.105 -9.870 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.570 -11.793 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.093 -12.150 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL B 54 8.617 -11.800 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL B 54 7.668 -9.495 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL B 54 7.684 -9.407 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.538 -8.175 -4.069 1.00 0.00 H new ATOM 2019 N LYS B 55 11.875 -11.189 -1.524 1.00 0.00 N ATOM 2020 CA LYS B 55 13.013 -12.085 -1.344 1.00 0.00 C ATOM 2021 C LYS B 55 12.655 -13.515 -1.738 1.00 0.00 C ATOM 2022 O LYS B 55 13.406 -14.176 -2.457 1.00 0.00 O ATOM 2023 CB LYS B 55 13.503 -12.046 0.107 1.00 0.00 C ATOM 2024 CG LYS B 55 12.412 -12.313 1.133 1.00 0.00 C ATOM 2025 CD LYS B 55 12.990 -12.515 2.527 1.00 0.00 C ATOM 2026 CE LYS B 55 13.659 -11.252 3.047 1.00 0.00 C ATOM 2027 NZ LYS B 55 14.222 -11.445 4.412 1.00 0.00 N ATOM 0 H LYS B 55 11.322 -11.034 -0.681 1.00 0.00 H new ATOM 0 HA LYS B 55 13.815 -11.741 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS B 55 14.295 -12.784 0.233 1.00 0.00 H new ATOM 0 HB3 LYS B 55 13.944 -11.069 0.305 1.00 0.00 H new ATOM 0 HG2 LYS B 55 11.712 -11.477 1.146 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.846 -13.198 0.841 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.195 -12.814 3.211 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.715 -13.329 2.506 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.455 -10.955 2.364 1.00 0.00 H new ATOM 0 HE3 LYS B 55 12.934 -10.438 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 14.155 -10.554 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 13.686 -12.186 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.219 -11.730 4.339 1.00 0.00 H new ATOM 2041 N GLU B 56 11.507 -13.989 -1.263 1.00 0.00 N ATOM 2042 CA GLU B 56 11.054 -15.341 -1.569 1.00 0.00 C ATOM 2043 C GLU B 56 9.565 -15.498 -1.277 1.00 0.00 C ATOM 2044 O GLU B 56 9.122 -15.320 -0.141 1.00 0.00 O ATOM 2045 CB GLU B 56 11.852 -16.366 -0.759 1.00 0.00 C ATOM 2046 CG GLU B 56 11.442 -17.806 -1.027 1.00 0.00 C ATOM 2047 CD GLU B 56 12.198 -18.798 -0.163 1.00 0.00 C ATOM 2048 OE1 GLU B 56 11.716 -19.104 0.948 1.00 0.00 O ATOM 2049 OE2 GLU B 56 13.270 -19.269 -0.598 1.00 0.00 O ATOM 0 H GLU B 56 10.874 -13.457 -0.665 1.00 0.00 H new ATOM 0 HA GLU B 56 11.219 -15.518 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU B 56 12.912 -16.250 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU B 56 11.728 -16.153 0.303 1.00 0.00 H new ATOM 0 HG2 GLU B 56 10.372 -17.915 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU B 56 11.614 -18.040 -2.078 1.00 0.00 H new ATOM 2056 N LEU B 57 8.799 -15.830 -2.310 1.00 0.00 N ATOM 2057 CA LEU B 57 7.358 -16.014 -2.168 1.00 0.00 C ATOM 2058 C LEU B 57 7.046 -17.096 -1.138 1.00 0.00 C ATOM 2059 O LEU B 57 7.826 -18.030 -0.949 1.00 0.00 O ATOM 2060 CB LEU B 57 6.730 -16.379 -3.519 1.00 0.00 C ATOM 2061 CG LEU B 57 6.870 -17.847 -3.943 1.00 0.00 C ATOM 2062 CD1 LEU B 57 6.056 -18.115 -5.199 1.00 0.00 C ATOM 2063 CD2 LEU B 57 8.329 -18.211 -4.171 1.00 0.00 C ATOM 0 H LEU B 57 9.151 -15.978 -3.256 1.00 0.00 H new ATOM 0 HA LEU B 57 6.930 -15.074 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU B 57 5.670 -16.129 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU B 57 7.180 -15.753 -4.289 1.00 0.00 H new ATOM 0 HG LEU B 57 6.486 -18.471 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU B 57 6.165 -19.160 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU B 57 5.005 -17.900 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU B 57 6.413 -17.477 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU B 57 8.401 -19.257 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU B 57 8.743 -17.579 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU B 57 8.890 -18.058 -3.249 1.00 0.00 H new ATOM 2075 N LYS B 58 5.902 -16.962 -0.473 1.00 0.00 N ATOM 2076 CA LYS B 58 5.486 -17.930 0.536 1.00 0.00 C ATOM 2077 C LYS B 58 4.173 -18.597 0.140 1.00 0.00 C ATOM 2078 O LYS B 58 3.703 -19.515 0.812 1.00 0.00 O ATOM 2079 CB LYS B 58 5.333 -17.250 1.899 1.00 0.00 C ATOM 2080 CG LYS B 58 6.631 -16.672 2.442 1.00 0.00 C ATOM 2081 CD LYS B 58 7.644 -17.763 2.750 1.00 0.00 C ATOM 2082 CE LYS B 58 8.930 -17.183 3.316 1.00 0.00 C ATOM 2083 NZ LYS B 58 9.921 -18.246 3.640 1.00 0.00 N ATOM 0 H LYS B 58 5.247 -16.193 -0.615 1.00 0.00 H new ATOM 0 HA LYS B 58 6.258 -18.696 0.606 1.00 0.00 H new ATOM 0 HB2 LYS B 58 4.596 -16.451 1.816 1.00 0.00 H new ATOM 0 HB3 LYS B 58 4.940 -17.973 2.614 1.00 0.00 H new ATOM 0 HG2 LYS B 58 7.053 -15.978 1.715 1.00 0.00 H new ATOM 0 HG3 LYS B 58 6.425 -16.100 3.347 1.00 0.00 H new ATOM 0 HD2 LYS B 58 7.216 -18.468 3.463 1.00 0.00 H new ATOM 0 HD3 LYS B 58 7.865 -18.323 1.842 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.364 -16.489 2.596 1.00 0.00 H new ATOM 0 HE3 LYS B 58 8.705 -16.610 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.548 -17.916 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 9.421 -19.103 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.487 -18.462 2.795 1.00 0.00 H new ATOM 2097 N VAL B 59 3.586 -18.129 -0.956 1.00 0.00 N ATOM 2098 CA VAL B 59 2.328 -18.679 -1.447 1.00 0.00 C ATOM 2099 C VAL B 59 2.462 -19.153 -2.890 1.00 0.00 C ATOM 2100 O VAL B 59 3.201 -18.567 -3.681 1.00 0.00 O ATOM 2101 CB VAL B 59 1.188 -17.648 -1.356 1.00 0.00 C ATOM 2102 CG1 VAL B 59 0.872 -17.328 0.097 1.00 0.00 C ATOM 2103 CG2 VAL B 59 1.546 -16.383 -2.122 1.00 0.00 C ATOM 0 H VAL B 59 3.962 -17.369 -1.522 1.00 0.00 H new ATOM 0 HA VAL B 59 2.085 -19.530 -0.810 1.00 0.00 H new ATOM 0 HB VAL B 59 0.297 -18.080 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.064 -16.598 0.141 1.00 0.00 H new ATOM 0 HG12 VAL B 59 0.567 -18.239 0.612 1.00 0.00 H new ATOM 0 HG13 VAL B 59 1.759 -16.918 0.580 1.00 0.00 H new ATOM 0 HG21 VAL B 59 0.727 -15.667 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL B 59 2.451 -15.946 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL B 59 1.716 -16.628 -3.170 1.00 0.00 H new ATOM 2113 N ASN B 60 1.740 -20.218 -3.225 1.00 0.00 N ATOM 2114 CA ASN B 60 1.776 -20.773 -4.572 1.00 0.00 C ATOM 2115 C ASN B 60 0.465 -20.501 -5.303 1.00 0.00 C ATOM 2116 O ASN B 60 -0.595 -20.419 -4.683 1.00 0.00 O ATOM 2117 CB ASN B 60 2.039 -22.280 -4.519 1.00 0.00 C ATOM 2118 CG ASN B 60 3.187 -22.647 -3.592 1.00 0.00 C ATOM 2119 OD1 ASN B 60 3.173 -23.704 -2.963 1.00 0.00 O ATOM 2120 ND2 ASN B 60 4.192 -21.781 -3.508 1.00 0.00 N ATOM 0 H ASN B 60 1.123 -20.713 -2.581 1.00 0.00 H new ATOM 0 HA ASN B 60 2.586 -20.289 -5.118 1.00 0.00 H new ATOM 0 HB2 ASN B 60 1.134 -22.790 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.260 -22.641 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN B 60 4.990 -21.982 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN B 60 4.165 -20.915 -4.046 1.00 0.00 H new ATOM 2127 N VAL B 61 0.546 -20.361 -6.622 1.00 0.00 N ATOM 2128 CA VAL B 61 -0.634 -20.098 -7.438 1.00 0.00 C ATOM 2129 C VAL B 61 -1.625 -21.255 -7.359 1.00 0.00 C ATOM 2130 O VAL B 61 -1.301 -22.386 -7.719 1.00 0.00 O ATOM 2131 CB VAL B 61 -0.256 -19.860 -8.913 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -1.478 -19.449 -9.721 1.00 0.00 C ATOM 2133 CG2 VAL B 61 0.842 -18.813 -9.022 1.00 0.00 C ATOM 0 H VAL B 61 1.417 -20.425 -7.149 1.00 0.00 H new ATOM 0 HA VAL B 61 -1.099 -19.196 -7.040 1.00 0.00 H new ATOM 0 HB VAL B 61 0.124 -20.795 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -1.190 -19.286 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -2.228 -20.238 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -1.893 -18.528 -9.311 1.00 0.00 H new ATOM 0 HG21 VAL B 61 1.095 -18.659 -10.071 1.00 0.00 H new ATOM 0 HG22 VAL B 61 0.494 -17.874 -8.591 1.00 0.00 H new ATOM 0 HG23 VAL B 61 1.725 -19.154 -8.482 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.833 -20.963 -6.885 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.852 -21.988 -6.767 1.00 0.00 C ATOM 2145 C GLY B 62 -4.072 -22.429 -5.333 1.00 0.00 C ATOM 2146 O GLY B 62 -5.134 -22.953 -4.995 1.00 0.00 O ATOM 0 H GLY B 62 -3.123 -20.034 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -4.790 -21.611 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -3.566 -22.851 -7.369 1.00 0.00 H new ATOM 2150 N ASP B 63 -3.066 -22.218 -4.489 1.00 0.00 N ATOM 2151 CA ASP B 63 -3.156 -22.598 -3.084 1.00 0.00 C ATOM 2152 C ASP B 63 -4.007 -21.600 -2.305 1.00 0.00 C ATOM 2153 O ASP B 63 -3.626 -20.441 -2.143 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.759 -22.688 -2.465 1.00 0.00 C ATOM 2155 CG ASP B 63 -1.803 -23.048 -0.993 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -1.913 -24.252 -0.679 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -1.727 -22.126 -0.153 1.00 0.00 O ATOM 0 H ASP B 63 -2.180 -21.786 -4.754 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.632 -23.577 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -1.174 -23.435 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -1.248 -21.733 -2.588 1.00 0.00 H new ATOM 2162 N LYS B 64 -5.157 -22.062 -1.824 1.00 0.00 N ATOM 2163 CA LYS B 64 -6.072 -21.216 -1.065 1.00 0.00 C ATOM 2164 C LYS B 64 -5.357 -20.513 0.088 1.00 0.00 C ATOM 2165 O LYS B 64 -4.394 -21.036 0.649 1.00 0.00 O ATOM 2166 CB LYS B 64 -7.232 -22.052 -0.520 1.00 0.00 C ATOM 2167 CG LYS B 64 -6.785 -23.184 0.389 1.00 0.00 C ATOM 2168 CD LYS B 64 -7.969 -23.970 0.925 1.00 0.00 C ATOM 2169 CE LYS B 64 -7.516 -25.107 1.826 1.00 0.00 C ATOM 2170 NZ LYS B 64 -8.669 -25.855 2.398 1.00 0.00 N ATOM 0 H LYS B 64 -5.479 -23.022 -1.947 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.458 -20.453 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -7.912 -21.401 0.030 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.795 -22.468 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -6.122 -23.853 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -6.210 -22.778 1.221 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -8.629 -23.304 1.481 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -8.548 -24.371 0.093 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -6.885 -25.791 1.258 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -6.905 -24.707 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -8.318 -26.622 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -9.257 -25.208 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -9.238 -26.258 1.627 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.842 -19.323 0.431 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.264 -18.535 1.515 1.00 0.00 C ATOM 2186 C VAL B 65 -6.229 -18.445 2.695 1.00 0.00 C ATOM 2187 O VAL B 65 -7.427 -18.689 2.547 1.00 0.00 O ATOM 2188 CB VAL B 65 -4.920 -17.109 1.038 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.179 -16.262 0.933 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.907 -16.454 1.966 1.00 0.00 C ATOM 0 H VAL B 65 -6.638 -18.882 -0.029 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.351 -19.038 1.832 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.471 -17.182 0.047 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.916 -15.260 0.595 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.865 -16.717 0.219 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.659 -16.201 1.910 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.681 -15.450 1.608 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.320 -16.396 2.973 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -2.993 -17.047 1.983 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.703 -18.090 3.862 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.522 -17.959 5.062 1.00 0.00 C ATOM 2202 C LYS B 66 -6.026 -16.813 5.938 1.00 0.00 C ATOM 2203 O LYS B 66 -4.835 -16.502 5.957 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.520 -19.269 5.850 1.00 0.00 C ATOM 2205 CG LYS B 66 -7.219 -20.410 5.126 1.00 0.00 C ATOM 2206 CD LYS B 66 -7.157 -21.706 5.921 1.00 0.00 C ATOM 2207 CE LYS B 66 -7.970 -21.618 7.203 1.00 0.00 C ATOM 2208 NZ LYS B 66 -9.419 -21.416 6.929 1.00 0.00 N ATOM 0 H LYS B 66 -4.713 -17.888 4.003 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.543 -17.734 4.755 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.490 -19.558 6.058 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.006 -19.107 6.812 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -8.260 -20.143 4.947 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.756 -20.559 4.151 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -7.530 -22.527 5.309 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -6.119 -21.935 6.163 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -7.834 -22.531 7.782 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -7.598 -20.795 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -9.965 -21.596 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -9.580 -20.437 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -9.726 -22.073 6.184 1.00 0.00 H new ATOM 2222 N THR B 67 -6.949 -16.184 6.660 1.00 0.00 N ATOM 2223 CA THR B 67 -6.608 -15.068 7.535 1.00 0.00 C ATOM 2224 C THR B 67 -5.713 -15.518 8.684 1.00 0.00 C ATOM 2225 O THR B 67 -6.078 -16.405 9.458 1.00 0.00 O ATOM 2226 CB THR B 67 -7.869 -14.401 8.113 1.00 0.00 C ATOM 2227 OG1 THR B 67 -8.802 -14.122 7.062 1.00 0.00 O ATOM 2228 CG2 THR B 67 -7.515 -13.108 8.834 1.00 0.00 C ATOM 0 H THR B 67 -7.939 -16.429 6.656 1.00 0.00 H new ATOM 0 HA THR B 67 -6.070 -14.344 6.924 1.00 0.00 H new ATOM 0 HB THR B 67 -8.320 -15.089 8.828 1.00 0.00 H new ATOM 0 HG1 THR B 67 -9.375 -13.371 7.324 1.00 0.00 H new ATOM 0 HG21 THR B 67 -8.422 -12.654 9.234 1.00 0.00 H new ATOM 0 HG22 THR B 67 -6.826 -13.324 9.651 1.00 0.00 H new ATOM 0 HG23 THR B 67 -7.043 -12.419 8.134 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.540 -14.900 8.791 1.00 0.00 N ATOM 2237 CA GLY B 68 -3.610 -15.247 9.850 1.00 0.00 C ATOM 2238 C GLY B 68 -2.358 -15.925 9.327 1.00 0.00 C ATOM 2239 O GLY B 68 -1.352 -16.012 10.031 1.00 0.00 O ATOM 0 H GLY B 68 -4.217 -14.164 8.162 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -3.330 -14.344 10.393 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -4.106 -15.907 10.562 1.00 0.00 H new ATOM 2243 N SER B 69 -2.420 -16.405 8.088 1.00 0.00 N ATOM 2244 CA SER B 69 -1.282 -17.081 7.472 1.00 0.00 C ATOM 2245 C SER B 69 -0.363 -16.083 6.775 1.00 0.00 C ATOM 2246 O SER B 69 -0.783 -14.984 6.411 1.00 0.00 O ATOM 2247 CB SER B 69 -1.768 -18.127 6.467 1.00 0.00 C ATOM 2248 OG SER B 69 -2.444 -17.518 5.380 1.00 0.00 O ATOM 0 H SER B 69 -3.245 -16.339 7.492 1.00 0.00 H new ATOM 0 HA SER B 69 -0.717 -17.576 8.262 1.00 0.00 H new ATOM 0 HB2 SER B 69 -0.919 -18.700 6.095 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.435 -18.831 6.965 1.00 0.00 H new ATOM 0 HG SER B 69 -3.317 -17.190 5.680 1.00 0.00 H new ATOM 2254 N LEU B 70 0.894 -16.476 6.591 1.00 0.00 N ATOM 2255 CA LEU B 70 1.879 -15.621 5.939 1.00 0.00 C ATOM 2256 C LEU B 70 1.723 -15.672 4.423 1.00 0.00 C ATOM 2257 O LEU B 70 1.350 -16.703 3.862 1.00 0.00 O ATOM 2258 CB LEU B 70 3.298 -16.045 6.330 1.00 0.00 C ATOM 2259 CG LEU B 70 3.707 -15.719 7.770 1.00 0.00 C ATOM 2260 CD1 LEU B 70 2.949 -16.590 8.760 1.00 0.00 C ATOM 2261 CD2 LEU B 70 5.208 -15.895 7.944 1.00 0.00 C ATOM 0 H LEU B 70 1.255 -17.384 6.885 1.00 0.00 H new ATOM 0 HA LEU B 70 1.709 -14.597 6.272 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.393 -17.120 6.178 1.00 0.00 H new ATOM 0 HB3 LEU B 70 4.003 -15.564 5.652 1.00 0.00 H new ATOM 0 HG LEU B 70 3.451 -14.679 7.972 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.257 -16.340 9.775 1.00 0.00 H new ATOM 0 HD12 LEU B 70 1.878 -16.416 8.652 1.00 0.00 H new ATOM 0 HD13 LEU B 70 3.168 -17.640 8.563 1.00 0.00 H new ATOM 0 HD21 LEU B 70 5.485 -15.660 8.972 1.00 0.00 H new ATOM 0 HD22 LEU B 70 5.482 -16.926 7.721 1.00 0.00 H new ATOM 0 HD23 LEU B 70 5.734 -15.225 7.264 1.00 0.00 H new ATOM 2273 N ILE B 71 2.010 -14.553 3.764 1.00 0.00 N ATOM 2274 CA ILE B 71 1.900 -14.472 2.312 1.00 0.00 C ATOM 2275 C ILE B 71 3.251 -14.169 1.670 1.00 0.00 C ATOM 2276 O ILE B 71 3.629 -14.793 0.678 1.00 0.00 O ATOM 2277 CB ILE B 71 0.876 -13.402 1.882 1.00 0.00 C ATOM 2278 CG1 ILE B 71 1.153 -12.074 2.596 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.538 -13.883 2.171 1.00 0.00 C ATOM 2280 CD1 ILE B 71 0.270 -10.935 2.130 1.00 0.00 C ATOM 0 H ILE B 71 2.320 -13.691 4.212 1.00 0.00 H new ATOM 0 HA ILE B 71 1.554 -15.447 1.967 1.00 0.00 H new ATOM 0 HB ILE B 71 0.973 -13.237 0.809 1.00 0.00 H new ATOM 0 HG12 ILE B 71 1.016 -12.213 3.668 1.00 0.00 H new ATOM 0 HG13 ILE B 71 2.196 -11.799 2.441 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.252 -13.119 1.863 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.730 -14.803 1.618 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -0.647 -14.072 3.239 1.00 0.00 H new ATOM 0 HD11 ILE B 71 0.524 -10.029 2.680 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.424 -10.768 1.064 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -0.775 -11.188 2.310 1.00 0.00 H new ATOM 2292 N MET B 72 3.973 -13.206 2.238 1.00 0.00 N ATOM 2293 CA MET B 72 5.283 -12.825 1.719 1.00 0.00 C ATOM 2294 C MET B 72 6.011 -11.909 2.698 1.00 0.00 C ATOM 2295 O MET B 72 5.382 -11.135 3.419 1.00 0.00 O ATOM 2296 CB MET B 72 5.133 -12.131 0.364 1.00 0.00 C ATOM 2297 CG MET B 72 6.456 -11.840 -0.323 1.00 0.00 C ATOM 2298 SD MET B 72 6.245 -11.174 -1.986 1.00 0.00 S ATOM 2299 CE MET B 72 5.420 -12.540 -2.797 1.00 0.00 C ATOM 0 H MET B 72 3.673 -12.676 3.056 1.00 0.00 H new ATOM 0 HA MET B 72 5.875 -13.731 1.592 1.00 0.00 H new ATOM 0 HB2 MET B 72 4.524 -12.756 -0.289 1.00 0.00 H new ATOM 0 HB3 MET B 72 4.592 -11.195 0.503 1.00 0.00 H new ATOM 0 HG2 MET B 72 7.025 -11.131 0.278 1.00 0.00 H new ATOM 0 HG3 MET B 72 7.043 -12.757 -0.375 1.00 0.00 H new ATOM 0 HE1 MET B 72 5.952 -12.793 -3.714 1.00 0.00 H new ATOM 0 HE2 MET B 72 5.410 -13.405 -2.133 1.00 0.00 H new ATOM 0 HE3 MET B 72 4.396 -12.255 -3.038 1.00 0.00 H new ATOM 2309 N ILE B 73 7.338 -12.000 2.720 1.00 0.00 N ATOM 2310 CA ILE B 73 8.142 -11.173 3.614 1.00 0.00 C ATOM 2311 C ILE B 73 8.955 -10.153 2.824 1.00 0.00 C ATOM 2312 O ILE B 73 9.500 -10.467 1.765 1.00 0.00 O ATOM 2313 CB ILE B 73 9.097 -12.028 4.471 1.00 0.00 C ATOM 2314 CG1 ILE B 73 8.445 -13.368 4.835 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.506 -11.269 5.728 1.00 0.00 C ATOM 2316 CD1 ILE B 73 7.141 -13.231 5.596 1.00 0.00 C ATOM 0 H ILE B 73 7.877 -12.635 2.132 1.00 0.00 H new ATOM 0 HA ILE B 73 7.450 -10.652 4.276 1.00 0.00 H new ATOM 0 HB ILE B 73 9.993 -12.235 3.886 1.00 0.00 H new ATOM 0 HG12 ILE B 73 8.263 -13.932 3.920 1.00 0.00 H new ATOM 0 HG13 ILE B 73 9.145 -13.950 5.435 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.180 -11.886 6.322 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.012 -10.346 5.447 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.619 -11.032 6.315 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.743 -14.221 5.816 1.00 0.00 H new ATOM 0 HD12 ILE B 73 7.319 -12.695 6.529 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.423 -12.678 4.991 1.00 0.00 H new ATOM 2328 N PHE B 74 9.037 -8.930 3.343 1.00 0.00 N ATOM 2329 CA PHE B 74 9.780 -7.866 2.674 1.00 0.00 C ATOM 2330 C PHE B 74 10.893 -7.335 3.567 1.00 0.00 C ATOM 2331 O PHE B 74 10.657 -6.985 4.723 1.00 0.00 O ATOM 2332 CB PHE B 74 8.844 -6.716 2.295 1.00 0.00 C ATOM 2333 CG PHE B 74 7.642 -7.142 1.502 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.777 -7.595 0.200 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.375 -7.087 2.061 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.671 -7.983 -0.530 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.265 -7.473 1.335 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.413 -7.922 0.038 1.00 0.00 C ATOM 0 H PHE B 74 8.600 -8.652 4.222 1.00 0.00 H new ATOM 0 HA PHE B 74 10.221 -8.287 1.771 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.508 -6.219 3.205 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.404 -5.980 1.719 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.758 -7.645 -0.249 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.254 -6.738 3.076 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.789 -8.334 -1.545 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.283 -7.424 1.781 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.547 -8.225 -0.532 1.00 0.00 H new ATOM 2348 N GLU B 75 12.103 -7.272 3.023 1.00 0.00 N ATOM 2349 CA GLU B 75 13.250 -6.775 3.774 1.00 0.00 C ATOM 2350 C GLU B 75 13.457 -5.287 3.512 1.00 0.00 C ATOM 2351 O GLU B 75 14.126 -4.903 2.553 1.00 0.00 O ATOM 2352 CB GLU B 75 14.512 -7.552 3.401 1.00 0.00 C ATOM 2353 CG GLU B 75 15.708 -7.223 4.282 1.00 0.00 C ATOM 2354 CD GLU B 75 16.997 -7.828 3.760 1.00 0.00 C ATOM 2355 OE1 GLU B 75 17.683 -7.163 2.956 1.00 0.00 O ATOM 2356 OE2 GLU B 75 17.321 -8.967 4.158 1.00 0.00 O ATOM 0 H GLU B 75 12.315 -7.558 2.067 1.00 0.00 H new ATOM 0 HA GLU B 75 13.050 -6.919 4.836 1.00 0.00 H new ATOM 0 HB2 GLU B 75 14.305 -8.620 3.467 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.766 -7.340 2.362 1.00 0.00 H new ATOM 0 HG2 GLU B 75 15.819 -6.141 4.349 1.00 0.00 H new ATOM 0 HG3 GLU B 75 15.522 -7.587 5.292 1.00 0.00 H new ATOM 2363 N VAL B 76 12.872 -4.455 4.367 1.00 0.00 N ATOM 2364 CA VAL B 76 12.988 -3.008 4.228 1.00 0.00 C ATOM 2365 C VAL B 76 14.199 -2.476 4.989 1.00 0.00 C ATOM 2366 O VAL B 76 14.270 -2.581 6.211 1.00 0.00 O ATOM 2367 CB VAL B 76 11.714 -2.291 4.727 1.00 0.00 C ATOM 2368 CG1 VAL B 76 11.167 -2.965 5.974 1.00 0.00 C ATOM 2369 CG2 VAL B 76 11.999 -0.825 5.005 1.00 0.00 C ATOM 0 H VAL B 76 12.312 -4.758 5.164 1.00 0.00 H new ATOM 0 HA VAL B 76 13.116 -2.800 3.166 1.00 0.00 H new ATOM 0 HB VAL B 76 10.961 -2.357 3.941 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.270 -2.442 6.306 1.00 0.00 H new ATOM 0 HG12 VAL B 76 10.920 -4.002 5.748 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.918 -2.935 6.763 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.089 -0.338 5.355 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.772 -0.743 5.769 1.00 0.00 H new ATOM 0 HG23 VAL B 76 12.341 -0.341 4.090 1.00 0.00 H new