USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 43 SER OG : rot 34:sc= 0.548 USER MOD Single : A 44 MET CE :methyl 168:sc= -0.138 (180deg=-0.49) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -0.0264 (180deg=-0.209) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0581 (180deg=-0.332) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.154 F(o=-3.7!,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0367 (180deg=-0.233) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -126:sc= -0.0646 (180deg=-0.394) USER MOD Single : B 43 SER OG : rot 27:sc= 0.451 USER MOD Single : B 44 MET CE :methyl 167:sc= -0.162 (180deg=-0.436) USER MOD Single : B 55 LYS NZ :NH3+ 167:sc= -0.0326 (180deg=-0.219) USER MOD Single : B 58 LYS NZ :NH3+ 165:sc= -0.0378 (180deg=-0.302) USER MOD Single : B 60 ASN :FLIP amide:sc= -0.112 F(o=-3.6!,f=-0.11) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ -166:sc= -0.0231 (180deg=-0.234) USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.0831 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 MET CE :methyl -127:sc= -0.0835 (180deg=-0.426) USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 13.013 -6.312 7.850 1.00 0.00 N ATOM 582 CA SER A 43 12.239 -7.430 7.320 1.00 0.00 C ATOM 583 C SER A 43 11.047 -7.743 8.217 1.00 0.00 C ATOM 584 O SER A 43 11.214 -8.127 9.375 1.00 0.00 O ATOM 585 CB SER A 43 13.126 -8.669 7.176 1.00 0.00 C ATOM 586 OG SER A 43 13.665 -9.059 8.427 1.00 0.00 O ATOM 0 HA SER A 43 11.863 -7.145 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.544 -9.489 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.936 -8.461 6.477 1.00 0.00 H new ATOM 0 HG SER A 43 13.016 -8.869 9.136 1.00 0.00 H new ATOM 592 N MET A 44 9.843 -7.576 7.674 1.00 0.00 N ATOM 593 CA MET A 44 8.623 -7.839 8.429 1.00 0.00 C ATOM 594 C MET A 44 7.651 -8.685 7.614 1.00 0.00 C ATOM 595 O MET A 44 7.209 -8.280 6.538 1.00 0.00 O ATOM 596 CB MET A 44 7.958 -6.522 8.837 1.00 0.00 C ATOM 597 CG MET A 44 6.699 -6.707 9.670 1.00 0.00 C ATOM 598 SD MET A 44 6.039 -5.148 10.294 1.00 0.00 S ATOM 599 CE MET A 44 5.703 -4.280 8.764 1.00 0.00 C ATOM 0 H MET A 44 9.688 -7.261 6.717 1.00 0.00 H new ATOM 0 HA MET A 44 8.892 -8.395 9.327 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.673 -5.924 9.402 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.709 -5.957 7.939 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.939 -7.203 9.066 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.918 -7.366 10.510 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.100 -3.396 8.972 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.643 -3.977 8.303 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.161 -4.937 8.084 1.00 0.00 H new ATOM 609 N GLU A 45 7.324 -9.861 8.136 1.00 0.00 N ATOM 610 CA GLU A 45 6.400 -10.768 7.467 1.00 0.00 C ATOM 611 C GLU A 45 4.958 -10.312 7.669 1.00 0.00 C ATOM 612 O GLU A 45 4.543 -10.013 8.789 1.00 0.00 O ATOM 613 CB GLU A 45 6.585 -12.194 7.993 1.00 0.00 C ATOM 614 CG GLU A 45 6.402 -12.320 9.498 1.00 0.00 C ATOM 615 CD GLU A 45 6.723 -13.711 10.011 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.921 -14.012 10.199 1.00 0.00 O ATOM 617 OE2 GLU A 45 5.777 -14.497 10.229 1.00 0.00 O ATOM 0 H GLU A 45 7.686 -10.210 9.023 1.00 0.00 H new ATOM 0 HA GLU A 45 6.617 -10.756 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.873 -12.851 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.583 -12.543 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.043 -11.595 10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.373 -12.070 9.757 1.00 0.00 H new ATOM 624 N VAL A 46 4.199 -10.255 6.578 1.00 0.00 N ATOM 625 CA VAL A 46 2.806 -9.832 6.638 1.00 0.00 C ATOM 626 C VAL A 46 1.860 -11.001 6.365 1.00 0.00 C ATOM 627 O VAL A 46 2.184 -11.899 5.587 1.00 0.00 O ATOM 628 CB VAL A 46 2.516 -8.704 5.626 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.414 -7.505 5.889 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.690 -9.204 4.199 1.00 0.00 C ATOM 0 H VAL A 46 4.526 -10.497 5.643 1.00 0.00 H new ATOM 0 HA VAL A 46 2.634 -9.458 7.647 1.00 0.00 H new ATOM 0 HB VAL A 46 1.480 -8.389 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.194 -6.720 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.234 -7.130 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.458 -7.804 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.481 -8.393 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.714 -9.550 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.000 -10.028 4.015 1.00 0.00 H new ATOM 640 N PRO A 47 0.674 -11.007 7.002 1.00 0.00 N ATOM 641 CA PRO A 47 -0.318 -12.053 6.829 1.00 0.00 C ATOM 642 C PRO A 47 -1.451 -11.631 5.897 1.00 0.00 C ATOM 643 O PRO A 47 -1.604 -10.448 5.590 1.00 0.00 O ATOM 644 CB PRO A 47 -0.839 -12.204 8.254 1.00 0.00 C ATOM 645 CG PRO A 47 -0.788 -10.815 8.823 1.00 0.00 C ATOM 646 CD PRO A 47 0.214 -10.029 7.999 1.00 0.00 C ATOM 0 HA PRO A 47 0.087 -12.960 6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.854 -12.600 8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.222 -12.892 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.771 -10.346 8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.489 -10.839 9.871 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.246 -9.160 7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.037 -9.661 8.611 1.00 0.00 H new ATOM 654 N ALA A 48 -2.241 -12.602 5.450 1.00 0.00 N ATOM 655 CA ALA A 48 -3.356 -12.319 4.555 1.00 0.00 C ATOM 656 C ALA A 48 -4.471 -11.574 5.289 1.00 0.00 C ATOM 657 O ALA A 48 -4.742 -11.853 6.459 1.00 0.00 O ATOM 658 CB ALA A 48 -3.889 -13.607 3.944 1.00 0.00 C ATOM 0 H ALA A 48 -2.130 -13.587 5.692 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.991 -11.678 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.721 -13.377 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.096 -14.096 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.232 -14.271 4.737 1.00 0.00 H new ATOM 664 N PRO A 49 -5.131 -10.614 4.615 1.00 0.00 N ATOM 665 CA PRO A 49 -6.216 -9.830 5.217 1.00 0.00 C ATOM 666 C PRO A 49 -7.450 -10.674 5.515 1.00 0.00 C ATOM 667 O PRO A 49 -8.044 -10.565 6.588 1.00 0.00 O ATOM 668 CB PRO A 49 -6.534 -8.778 4.151 1.00 0.00 C ATOM 669 CG PRO A 49 -6.074 -9.384 2.870 1.00 0.00 C ATOM 670 CD PRO A 49 -4.875 -10.218 3.218 1.00 0.00 C ATOM 0 HA PRO A 49 -5.923 -9.407 6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.600 -8.554 4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.016 -7.840 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.858 -9.995 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.817 -8.613 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.785 -11.085 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.949 -9.650 3.124 1.00 0.00 H new ATOM 678 N PHE A 50 -7.831 -11.516 4.560 1.00 0.00 N ATOM 679 CA PHE A 50 -8.998 -12.377 4.721 1.00 0.00 C ATOM 680 C PHE A 50 -8.830 -13.677 3.942 1.00 0.00 C ATOM 681 O PHE A 50 -8.130 -13.716 2.929 1.00 0.00 O ATOM 682 CB PHE A 50 -10.264 -11.652 4.255 1.00 0.00 C ATOM 683 CG PHE A 50 -10.275 -11.333 2.784 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.574 -10.245 2.290 1.00 0.00 C ATOM 685 CD2 PHE A 50 -10.988 -12.124 1.895 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.584 -9.951 0.939 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.001 -11.835 0.544 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.298 -10.747 0.065 1.00 0.00 C ATOM 0 H PHE A 50 -7.349 -11.621 3.667 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.093 -12.618 5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.132 -12.268 4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.369 -10.725 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.013 -9.619 2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.540 -12.976 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.034 -9.099 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.560 -12.459 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.307 -10.519 -0.991 1.00 0.00 H new ATOM 698 N ALA A 51 -9.473 -14.738 4.419 1.00 0.00 N ATOM 699 CA ALA A 51 -9.400 -16.034 3.756 1.00 0.00 C ATOM 700 C ALA A 51 -9.908 -15.924 2.323 1.00 0.00 C ATOM 701 O ALA A 51 -10.925 -15.280 2.066 1.00 0.00 O ATOM 702 CB ALA A 51 -10.198 -17.072 4.531 1.00 0.00 C ATOM 0 H ALA A 51 -10.049 -14.726 5.261 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.358 -16.354 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.133 -18.034 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.792 -17.165 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.241 -16.761 4.588 1.00 0.00 H new ATOM 708 N GLY A 52 -9.201 -16.557 1.391 1.00 0.00 N ATOM 709 CA GLY A 52 -9.602 -16.488 -0.003 1.00 0.00 C ATOM 710 C GLY A 52 -8.906 -17.513 -0.873 1.00 0.00 C ATOM 711 O GLY A 52 -8.175 -18.367 -0.375 1.00 0.00 O ATOM 0 H GLY A 52 -8.365 -17.112 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.680 -16.633 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.390 -15.490 -0.387 1.00 0.00 H new ATOM 715 N VAL A 53 -9.147 -17.427 -2.177 1.00 0.00 N ATOM 716 CA VAL A 53 -8.536 -18.340 -3.135 1.00 0.00 C ATOM 717 C VAL A 53 -7.872 -17.561 -4.265 1.00 0.00 C ATOM 718 O VAL A 53 -8.380 -16.526 -4.697 1.00 0.00 O ATOM 719 CB VAL A 53 -9.573 -19.308 -3.739 1.00 0.00 C ATOM 720 CG1 VAL A 53 -8.892 -20.337 -4.628 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.376 -19.990 -2.641 1.00 0.00 C ATOM 0 H VAL A 53 -9.764 -16.731 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.789 -18.920 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.262 -18.730 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.641 -21.011 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.370 -19.829 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.176 -20.910 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.102 -20.669 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.703 -20.554 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.899 -19.237 -2.052 1.00 0.00 H new ATOM 731 N VAL A 54 -6.736 -18.060 -4.744 1.00 0.00 N ATOM 732 CA VAL A 54 -6.014 -17.401 -5.823 1.00 0.00 C ATOM 733 C VAL A 54 -6.754 -17.551 -7.149 1.00 0.00 C ATOM 734 O VAL A 54 -6.835 -18.645 -7.707 1.00 0.00 O ATOM 735 CB VAL A 54 -4.586 -17.964 -5.973 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.883 -17.339 -7.169 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.788 -17.732 -4.700 1.00 0.00 C ATOM 0 H VAL A 54 -6.298 -18.916 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.951 -16.344 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.657 -19.038 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.877 -17.751 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.445 -17.559 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.823 -16.259 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.783 -18.135 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.728 -16.663 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.280 -18.232 -3.866 1.00 0.00 H new ATOM 747 N LYS A 55 -7.293 -16.441 -7.645 1.00 0.00 N ATOM 748 CA LYS A 55 -8.028 -16.443 -8.905 1.00 0.00 C ATOM 749 C LYS A 55 -7.151 -15.948 -10.051 1.00 0.00 C ATOM 750 O LYS A 55 -7.179 -16.505 -11.150 1.00 0.00 O ATOM 751 CB LYS A 55 -9.278 -15.567 -8.793 1.00 0.00 C ATOM 752 CG LYS A 55 -10.106 -15.514 -10.069 1.00 0.00 C ATOM 753 CD LYS A 55 -11.337 -14.635 -9.903 1.00 0.00 C ATOM 754 CE LYS A 55 -12.148 -14.558 -11.186 1.00 0.00 C ATOM 755 NZ LYS A 55 -12.643 -15.896 -11.612 1.00 0.00 N ATOM 0 H LYS A 55 -7.234 -15.528 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.327 -17.469 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.902 -15.942 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.978 -14.554 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.493 -15.132 -10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.413 -16.522 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.961 -15.030 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.031 -13.632 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.995 -13.887 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.534 -14.129 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.352 -15.781 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.848 -16.463 -11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.076 -16.381 -10.800 1.00 0.00 H new ATOM 769 N GLU A 56 -6.376 -14.899 -9.792 1.00 0.00 N ATOM 770 CA GLU A 56 -5.498 -14.328 -10.810 1.00 0.00 C ATOM 771 C GLU A 56 -4.233 -13.746 -10.183 1.00 0.00 C ATOM 772 O GLU A 56 -4.297 -13.016 -9.193 1.00 0.00 O ATOM 773 CB GLU A 56 -6.239 -13.242 -11.593 1.00 0.00 C ATOM 774 CG GLU A 56 -5.446 -12.685 -12.765 1.00 0.00 C ATOM 775 CD GLU A 56 -5.185 -13.725 -13.839 1.00 0.00 C ATOM 776 OE1 GLU A 56 -4.153 -14.422 -13.751 1.00 0.00 O ATOM 777 OE2 GLU A 56 -6.014 -13.840 -14.765 1.00 0.00 O ATOM 0 H GLU A 56 -6.337 -14.427 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.204 -15.127 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.179 -13.651 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.491 -12.426 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.989 -11.846 -13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.495 -12.295 -12.403 1.00 0.00 H new ATOM 784 N LEU A 57 -3.084 -14.076 -10.769 1.00 0.00 N ATOM 785 CA LEU A 57 -1.800 -13.585 -10.277 1.00 0.00 C ATOM 786 C LEU A 57 -1.485 -12.206 -10.853 1.00 0.00 C ATOM 787 O LEU A 57 -1.783 -11.926 -12.015 1.00 0.00 O ATOM 788 CB LEU A 57 -0.685 -14.569 -10.642 1.00 0.00 C ATOM 789 CG LEU A 57 0.705 -14.201 -10.119 1.00 0.00 C ATOM 790 CD1 LEU A 57 0.732 -14.237 -8.600 1.00 0.00 C ATOM 791 CD2 LEU A 57 1.756 -15.139 -10.694 1.00 0.00 C ATOM 0 H LEU A 57 -3.017 -14.682 -11.586 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.863 -13.498 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.951 -15.554 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.637 -14.652 -11.728 1.00 0.00 H new ATOM 0 HG LEU A 57 0.936 -13.186 -10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.729 -13.972 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.007 -13.525 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.480 -15.240 -8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.739 -14.863 -10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.528 -16.164 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.756 -15.063 -11.781 1.00 0.00 H new ATOM 803 N LYS A 58 -0.884 -11.346 -10.033 1.00 0.00 N ATOM 804 CA LYS A 58 -0.529 -9.996 -10.462 1.00 0.00 C ATOM 805 C LYS A 58 0.894 -9.638 -10.043 1.00 0.00 C ATOM 806 O LYS A 58 1.359 -8.524 -10.287 1.00 0.00 O ATOM 807 CB LYS A 58 -1.513 -8.980 -9.879 1.00 0.00 C ATOM 808 CG LYS A 58 -2.939 -9.148 -10.382 1.00 0.00 C ATOM 809 CD LYS A 58 -3.045 -8.858 -11.870 1.00 0.00 C ATOM 810 CE LYS A 58 -4.477 -8.998 -12.361 1.00 0.00 C ATOM 811 NZ LYS A 58 -5.402 -8.082 -11.640 1.00 0.00 N ATOM 0 H LYS A 58 -0.633 -11.561 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.582 -9.967 -11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.508 -9.066 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.168 -7.975 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.278 -10.165 -10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.601 -8.479 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.686 -7.849 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.401 -9.542 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.517 -8.787 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.808 -10.028 -12.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.294 -8.003 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.594 -8.460 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.965 -7.142 -11.557 1.00 0.00 H new ATOM 825 N VAL A 59 1.582 -10.585 -9.409 1.00 0.00 N ATOM 826 CA VAL A 59 2.950 -10.359 -8.957 1.00 0.00 C ATOM 827 C VAL A 59 3.825 -11.583 -9.204 1.00 0.00 C ATOM 828 O VAL A 59 3.376 -12.720 -9.064 1.00 0.00 O ATOM 829 CB VAL A 59 3.000 -10.006 -7.458 1.00 0.00 C ATOM 830 CG1 VAL A 59 2.328 -8.667 -7.199 1.00 0.00 C ATOM 831 CG2 VAL A 59 2.350 -11.104 -6.628 1.00 0.00 C ATOM 0 H VAL A 59 1.215 -11.513 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 59 3.333 -9.518 -9.535 1.00 0.00 H new ATOM 0 HB VAL A 59 4.045 -9.925 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.374 -8.437 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.841 -7.887 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.286 -8.716 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.395 -10.837 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.309 -11.220 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.880 -12.043 -6.788 1.00 0.00 H new ATOM 841 N ASN A 60 5.078 -11.340 -9.575 1.00 0.00 N ATOM 842 CA ASN A 60 6.023 -12.419 -9.840 1.00 0.00 C ATOM 843 C ASN A 60 6.994 -12.586 -8.676 1.00 0.00 C ATOM 844 O ASN A 60 7.291 -11.628 -7.962 1.00 0.00 O ATOM 845 CB ASN A 60 6.799 -12.148 -11.131 1.00 0.00 C ATOM 846 CG ASN A 60 5.948 -12.324 -12.378 1.00 0.00 C ATOM 847 OD1 ASN A 60 4.655 -12.044 -12.265 1.00 0.00 O flip ATOM 848 ND2 ASN A 60 6.452 -12.707 -13.433 1.00 0.00 N flip ATOM 0 H ASN A 60 5.463 -10.404 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 60 5.456 -13.343 -9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.193 -11.132 -11.106 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.655 -12.821 -11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.450 -12.911 -13.477 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.871 -12.820 -14.264 1.00 0.00 H new ATOM 855 N VAL A 61 7.483 -13.807 -8.486 1.00 0.00 N ATOM 856 CA VAL A 61 8.422 -14.095 -7.409 1.00 0.00 C ATOM 857 C VAL A 61 9.748 -13.376 -7.638 1.00 0.00 C ATOM 858 O VAL A 61 10.371 -13.524 -8.691 1.00 0.00 O ATOM 859 CB VAL A 61 8.684 -15.608 -7.280 1.00 0.00 C ATOM 860 CG1 VAL A 61 9.584 -15.898 -6.090 1.00 0.00 C ATOM 861 CG2 VAL A 61 7.370 -16.366 -7.162 1.00 0.00 C ATOM 0 H VAL A 61 7.244 -14.613 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 61 7.969 -13.736 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 61 9.196 -15.948 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.756 -16.972 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.537 -15.386 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 61 9.105 -15.545 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.572 -17.433 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.830 -16.023 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.765 -16.185 -8.050 1.00 0.00 H new ATOM 871 N GLY A 62 10.173 -12.599 -6.648 1.00 0.00 N ATOM 872 CA GLY A 62 11.420 -11.864 -6.763 1.00 0.00 C ATOM 873 C GLY A 62 11.217 -10.486 -7.356 1.00 0.00 C ATOM 874 O GLY A 62 12.182 -9.784 -7.660 1.00 0.00 O ATOM 0 H GLY A 62 9.676 -12.465 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.877 -11.770 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.116 -12.427 -7.385 1.00 0.00 H new ATOM 878 N ASP A 63 9.956 -10.097 -7.519 1.00 0.00 N ATOM 879 CA ASP A 63 9.623 -8.796 -8.083 1.00 0.00 C ATOM 880 C ASP A 63 9.302 -7.787 -6.985 1.00 0.00 C ATOM 881 O ASP A 63 8.309 -7.927 -6.269 1.00 0.00 O ATOM 882 CB ASP A 63 8.434 -8.921 -9.038 1.00 0.00 C ATOM 883 CG ASP A 63 8.055 -7.594 -9.666 1.00 0.00 C ATOM 884 OD1 ASP A 63 8.605 -7.266 -10.737 1.00 0.00 O ATOM 885 OD2 ASP A 63 7.210 -6.883 -9.084 1.00 0.00 O ATOM 0 H ASP A 63 9.148 -10.666 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 63 10.491 -8.437 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.677 -9.636 -9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.577 -9.322 -8.496 1.00 0.00 H new ATOM 890 N LYS A 64 10.159 -6.778 -6.859 1.00 0.00 N ATOM 891 CA LYS A 64 9.986 -5.725 -5.863 1.00 0.00 C ATOM 892 C LYS A 64 8.543 -5.226 -5.825 1.00 0.00 C ATOM 893 O LYS A 64 7.892 -5.094 -6.861 1.00 0.00 O ATOM 894 CB LYS A 64 10.932 -4.562 -6.169 1.00 0.00 C ATOM 895 CG LYS A 64 10.914 -3.468 -5.116 1.00 0.00 C ATOM 896 CD LYS A 64 11.892 -2.355 -5.454 1.00 0.00 C ATOM 897 CE LYS A 64 11.947 -1.306 -4.357 1.00 0.00 C ATOM 898 NZ LYS A 64 12.880 -0.197 -4.695 1.00 0.00 N ATOM 0 H LYS A 64 10.989 -6.667 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 64 10.223 -6.142 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.948 -4.946 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.663 -4.131 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.908 -3.057 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.166 -3.893 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.886 -2.777 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.599 -1.885 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.948 -0.902 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.261 -1.773 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.889 0.498 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.838 -0.578 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.566 0.266 -5.572 1.00 0.00 H new ATOM 912 N VAL A 65 8.054 -4.950 -4.618 1.00 0.00 N ATOM 913 CA VAL A 65 6.691 -4.467 -4.432 1.00 0.00 C ATOM 914 C VAL A 65 6.685 -3.002 -4.006 1.00 0.00 C ATOM 915 O VAL A 65 7.702 -2.473 -3.556 1.00 0.00 O ATOM 916 CB VAL A 65 5.946 -5.306 -3.374 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.463 -4.995 -1.976 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.444 -5.076 -3.459 1.00 0.00 C ATOM 0 H VAL A 65 8.584 -5.054 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 65 6.179 -4.564 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 65 6.138 -6.359 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.923 -5.598 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.527 -5.226 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.309 -3.938 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.940 -5.678 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.227 -4.022 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.087 -5.363 -4.448 1.00 0.00 H new ATOM 928 N LYS A 66 5.535 -2.352 -4.150 1.00 0.00 N ATOM 929 CA LYS A 66 5.397 -0.949 -3.776 1.00 0.00 C ATOM 930 C LYS A 66 4.023 -0.681 -3.172 1.00 0.00 C ATOM 931 O LYS A 66 3.039 -1.325 -3.536 1.00 0.00 O ATOM 932 CB LYS A 66 5.622 -0.052 -4.994 1.00 0.00 C ATOM 933 CG LYS A 66 7.040 -0.113 -5.536 1.00 0.00 C ATOM 934 CD LYS A 66 7.201 0.750 -6.775 1.00 0.00 C ATOM 935 CE LYS A 66 8.617 0.677 -7.321 1.00 0.00 C ATOM 936 NZ LYS A 66 9.618 1.180 -6.341 1.00 0.00 N ATOM 0 H LYS A 66 4.685 -2.774 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 66 6.152 -0.720 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.927 -0.342 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.388 0.978 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.739 0.218 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.295 -1.145 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.497 0.425 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.955 1.784 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.852 -0.355 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.682 1.261 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.535 1.305 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.300 2.092 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.720 0.494 -5.566 1.00 0.00 H new ATOM 950 N THR A 67 3.965 0.270 -2.246 1.00 0.00 N ATOM 951 CA THR A 67 2.712 0.621 -1.592 1.00 0.00 C ATOM 952 C THR A 67 1.701 1.162 -2.598 1.00 0.00 C ATOM 953 O THR A 67 1.953 2.162 -3.270 1.00 0.00 O ATOM 954 CB THR A 67 2.927 1.670 -0.484 1.00 0.00 C ATOM 955 OG1 THR A 67 3.947 1.226 0.418 1.00 0.00 O ATOM 956 CG2 THR A 67 1.638 1.916 0.287 1.00 0.00 C ATOM 0 H THR A 67 4.771 0.811 -1.932 1.00 0.00 H new ATOM 0 HA THR A 67 2.324 -0.294 -1.144 1.00 0.00 H new ATOM 0 HB THR A 67 3.236 2.604 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.080 1.898 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.815 2.660 1.064 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.870 2.279 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.305 0.985 0.746 1.00 0.00 H new ATOM 964 N GLY A 68 0.557 0.491 -2.698 1.00 0.00 N ATOM 965 CA GLY A 68 -0.475 0.916 -3.626 1.00 0.00 C ATOM 966 C GLY A 68 -0.637 -0.042 -4.790 1.00 0.00 C ATOM 967 O GLY A 68 -1.628 0.019 -5.519 1.00 0.00 O ATOM 0 H GLY A 68 0.327 -0.340 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.423 1.002 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.231 1.908 -4.007 1.00 0.00 H new ATOM 971 N SER A 69 0.338 -0.929 -4.964 1.00 0.00 N ATOM 972 CA SER A 69 0.300 -1.906 -6.046 1.00 0.00 C ATOM 973 C SER A 69 -0.474 -3.151 -5.628 1.00 0.00 C ATOM 974 O SER A 69 -0.471 -3.531 -4.457 1.00 0.00 O ATOM 975 CB SER A 69 1.721 -2.291 -6.463 1.00 0.00 C ATOM 976 OG SER A 69 1.706 -3.260 -7.498 1.00 0.00 O ATOM 0 H SER A 69 1.164 -0.991 -4.369 1.00 0.00 H new ATOM 0 HA SER A 69 -0.210 -1.451 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.257 -1.404 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.262 -2.683 -5.602 1.00 0.00 H new ATOM 0 HG SER A 69 2.626 -3.487 -7.747 1.00 0.00 H new ATOM 982 N LEU A 70 -1.136 -3.781 -6.592 1.00 0.00 N ATOM 983 CA LEU A 70 -1.913 -4.985 -6.324 1.00 0.00 C ATOM 984 C LEU A 70 -0.997 -6.189 -6.132 1.00 0.00 C ATOM 985 O LEU A 70 -0.072 -6.407 -6.915 1.00 0.00 O ATOM 986 CB LEU A 70 -2.898 -5.256 -7.468 1.00 0.00 C ATOM 987 CG LEU A 70 -4.090 -4.293 -7.563 1.00 0.00 C ATOM 988 CD1 LEU A 70 -4.868 -4.264 -6.256 1.00 0.00 C ATOM 989 CD2 LEU A 70 -3.627 -2.894 -7.941 1.00 0.00 C ATOM 0 H LEU A 70 -1.150 -3.478 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.475 -4.824 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.351 -5.221 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.282 -6.270 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.754 -4.656 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.708 -3.575 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.241 -5.263 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.213 -3.933 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.489 -2.230 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.936 -2.523 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.124 -2.926 -8.908 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.262 -6.969 -5.089 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.459 -8.150 -4.795 1.00 0.00 C ATOM 1003 C ILE A 71 -1.225 -9.435 -5.099 1.00 0.00 C ATOM 1004 O ILE A 71 -0.736 -10.298 -5.828 1.00 0.00 O ATOM 1005 CB ILE A 71 0.007 -8.167 -3.325 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -1.159 -7.843 -2.385 1.00 0.00 C ATOM 1007 CG2 ILE A 71 1.149 -7.180 -3.125 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -0.826 -8.029 -0.919 1.00 0.00 C ATOM 0 H ILE A 71 -2.026 -6.805 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 71 0.418 -8.100 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 71 0.367 -9.168 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.472 -6.812 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.007 -8.478 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.470 -7.201 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.985 -7.456 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.811 -6.176 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.698 -7.781 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.542 -9.066 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.002 -7.374 -0.648 1.00 0.00 H new ATOM 1020 N MET A 72 -2.430 -9.557 -4.543 1.00 0.00 N ATOM 1021 CA MET A 72 -3.255 -10.744 -4.754 1.00 0.00 C ATOM 1022 C MET A 72 -4.741 -10.396 -4.724 1.00 0.00 C ATOM 1023 O MET A 72 -5.142 -9.388 -4.144 1.00 0.00 O ATOM 1024 CB MET A 72 -2.955 -11.799 -3.685 1.00 0.00 C ATOM 1025 CG MET A 72 -1.552 -12.378 -3.769 1.00 0.00 C ATOM 1026 SD MET A 72 -1.260 -13.274 -5.306 1.00 0.00 S ATOM 1027 CE MET A 72 0.430 -13.816 -5.063 1.00 0.00 C ATOM 0 H MET A 72 -2.855 -8.849 -3.944 1.00 0.00 H new ATOM 0 HA MET A 72 -3.012 -11.145 -5.738 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.096 -11.354 -2.700 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.678 -12.610 -3.775 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.824 -11.571 -3.680 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.389 -13.049 -2.926 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.039 -13.497 -5.909 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.824 -13.378 -4.146 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.456 -14.903 -4.986 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.549 -11.242 -5.357 1.00 0.00 N ATOM 1038 CA ILE A 73 -6.993 -11.042 -5.399 1.00 0.00 C ATOM 1039 C ILE A 73 -7.719 -12.334 -5.037 1.00 0.00 C ATOM 1040 O ILE A 73 -7.428 -13.393 -5.594 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.471 -10.574 -6.791 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.672 -9.354 -7.258 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -8.958 -10.254 -6.758 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -5.367 -9.707 -7.938 1.00 0.00 C ATOM 0 H ILE A 73 -5.226 -12.075 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.227 -10.264 -4.673 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.303 -11.383 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.284 -8.771 -7.946 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.463 -8.717 -6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.281 -9.925 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.516 -11.146 -6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.144 -9.461 -6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.856 -8.793 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.735 -10.264 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.569 -10.319 -8.817 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.660 -12.243 -4.104 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.415 -13.415 -3.670 1.00 0.00 C ATOM 1058 C PHE A 74 -10.909 -13.229 -3.888 1.00 0.00 C ATOM 1059 O PHE A 74 -11.451 -12.152 -3.640 1.00 0.00 O ATOM 1060 CB PHE A 74 -9.164 -13.693 -2.192 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.723 -13.615 -1.793 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.807 -14.536 -2.269 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -7.287 -12.621 -0.934 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.481 -14.467 -1.895 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.963 -12.546 -0.557 1.00 0.00 C ATOM 1066 CZ PHE A 74 -5.057 -13.470 -1.035 1.00 0.00 C ATOM 0 H PHE A 74 -8.918 -11.375 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.074 -14.258 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.734 -12.980 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.544 -14.686 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.133 -15.317 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.992 -11.896 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.774 -15.191 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.635 -11.764 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.020 -13.415 -0.739 1.00 0.00 H new ATOM 1076 N GLU A 75 -11.568 -14.287 -4.343 1.00 0.00 N ATOM 1077 CA GLU A 75 -13.005 -14.249 -4.570 1.00 0.00 C ATOM 1078 C GLU A 75 -13.729 -14.972 -3.440 1.00 0.00 C ATOM 1079 O GLU A 75 -13.923 -16.186 -3.491 1.00 0.00 O ATOM 1080 CB GLU A 75 -13.355 -14.891 -5.914 1.00 0.00 C ATOM 1081 CG GLU A 75 -14.823 -14.760 -6.287 1.00 0.00 C ATOM 1082 CD GLU A 75 -15.163 -15.471 -7.582 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -15.465 -16.682 -7.533 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -15.127 -14.816 -8.645 1.00 0.00 O ATOM 0 H GLU A 75 -11.129 -15.182 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.326 -13.208 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.748 -14.433 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.090 -15.948 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.436 -15.166 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.077 -13.704 -6.379 1.00 0.00 H new ATOM 1091 N VAL A 76 -14.120 -14.217 -2.418 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.809 -14.788 -1.269 1.00 0.00 C ATOM 1093 C VAL A 76 -16.302 -14.948 -1.539 1.00 0.00 C ATOM 1094 O VAL A 76 -17.015 -13.969 -1.761 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.604 -13.927 -0.003 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -14.891 -12.462 -0.295 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -15.475 -14.429 1.140 1.00 0.00 C ATOM 0 H VAL A 76 -13.971 -13.209 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.374 -15.773 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.561 -14.016 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.740 -11.874 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -14.216 -12.107 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.922 -12.353 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.314 -13.807 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.524 -14.379 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.212 -15.461 1.371 1.00 0.00 H new ATOM 1853 N SER B 43 -15.203 -10.986 -4.792 1.00 0.00 N ATOM 1854 CA SER B 43 -13.811 -10.786 -5.181 1.00 0.00 C ATOM 1855 C SER B 43 -13.337 -9.376 -4.844 1.00 0.00 C ATOM 1856 O SER B 43 -13.862 -8.394 -5.369 1.00 0.00 O ATOM 1857 CB SER B 43 -13.635 -11.051 -6.677 1.00 0.00 C ATOM 1858 OG SER B 43 -14.435 -10.173 -7.448 1.00 0.00 O ATOM 0 HA SER B 43 -13.203 -11.493 -4.616 1.00 0.00 H new ATOM 0 HB2 SER B 43 -12.587 -10.928 -6.950 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.903 -12.083 -6.901 1.00 0.00 H new ATOM 0 HG SER B 43 -14.589 -9.345 -6.946 1.00 0.00 H new ATOM 1864 N MET B 44 -12.343 -9.283 -3.962 1.00 0.00 N ATOM 1865 CA MET B 44 -11.797 -7.991 -3.562 1.00 0.00 C ATOM 1866 C MET B 44 -10.274 -7.984 -3.670 1.00 0.00 C ATOM 1867 O MET B 44 -9.591 -8.775 -3.019 1.00 0.00 O ATOM 1868 CB MET B 44 -12.221 -7.653 -2.133 1.00 0.00 C ATOM 1869 CG MET B 44 -11.701 -6.310 -1.643 1.00 0.00 C ATOM 1870 SD MET B 44 -12.365 -5.853 -0.030 1.00 0.00 S ATOM 1871 CE MET B 44 -11.741 -7.190 0.984 1.00 0.00 C ATOM 0 H MET B 44 -11.902 -10.085 -3.513 1.00 0.00 H new ATOM 0 HA MET B 44 -12.194 -7.234 -4.239 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.310 -7.654 -2.076 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.866 -8.436 -1.463 1.00 0.00 H new ATOM 0 HG2 MET B 44 -10.613 -6.345 -1.587 1.00 0.00 H new ATOM 0 HG3 MET B 44 -11.958 -5.539 -2.369 1.00 0.00 H new ATOM 0 HE1 MET B 44 -11.866 -6.937 2.037 1.00 0.00 H new ATOM 0 HE2 MET B 44 -12.293 -8.103 0.762 1.00 0.00 H new ATOM 0 HE3 MET B 44 -10.683 -7.345 0.771 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.751 -7.084 -4.497 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.310 -6.966 -4.691 1.00 0.00 C ATOM 1883 C GLU B 45 -7.666 -6.217 -3.527 1.00 0.00 C ATOM 1884 O GLU B 45 -8.155 -5.169 -3.107 1.00 0.00 O ATOM 1885 CB GLU B 45 -8.006 -6.251 -6.011 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.684 -4.896 -6.145 1.00 0.00 C ATOM 1887 CD GLU B 45 -8.475 -4.273 -7.512 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -9.229 -4.623 -8.444 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -7.560 -3.436 -7.650 1.00 0.00 O ATOM 0 H GLU B 45 -10.305 -6.425 -5.044 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.889 -7.971 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -6.928 -6.118 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.319 -6.887 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.752 -5.008 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.297 -4.223 -5.380 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.567 -6.762 -3.012 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.863 -6.145 -1.894 1.00 0.00 C ATOM 1898 C VAL B 46 -4.503 -5.593 -2.329 1.00 0.00 C ATOM 1899 O VAL B 46 -3.844 -6.164 -3.198 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.653 -7.146 -0.740 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.983 -7.722 -0.281 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.701 -8.259 -1.154 1.00 0.00 C ATOM 0 H VAL B 46 -6.146 -7.627 -3.351 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.488 -5.323 -1.545 1.00 0.00 H new ATOM 0 HB VAL B 46 -5.204 -6.610 0.096 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.813 -8.426 0.534 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.629 -6.915 0.065 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.462 -8.239 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.569 -8.952 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -5.115 -8.792 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.736 -7.830 -1.426 1.00 0.00 H new ATOM 1912 N PRO B 47 -4.065 -4.470 -1.727 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.789 -3.848 -2.037 1.00 0.00 C ATOM 1914 C PRO B 47 -1.724 -4.160 -0.990 1.00 0.00 C ATOM 1915 O PRO B 47 -2.037 -4.642 0.099 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.160 -2.370 -1.991 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.223 -2.273 -0.934 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.794 -3.665 -0.738 1.00 0.00 C ATOM 0 HA PRO B 47 -2.360 -4.189 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.297 -1.753 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.530 -2.025 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -3.804 -1.895 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -5.004 -1.577 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.630 -4.028 0.276 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.869 -3.687 -0.915 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.468 -3.882 -1.321 1.00 0.00 N ATOM 1927 CA ALA B 48 0.634 -4.139 -0.402 1.00 0.00 C ATOM 1928 C ALA B 48 0.603 -3.163 0.774 1.00 0.00 C ATOM 1929 O ALA B 48 0.272 -1.989 0.602 1.00 0.00 O ATOM 1930 CB ALA B 48 1.967 -4.052 -1.131 1.00 0.00 C ATOM 0 H ALA B 48 -0.188 -3.480 -2.216 1.00 0.00 H new ATOM 0 HA ALA B 48 0.519 -5.149 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.779 -4.247 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.993 -4.792 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.085 -3.055 -1.555 1.00 0.00 H new ATOM 1936 N PRO B 49 0.949 -3.635 1.988 1.00 0.00 N ATOM 1937 CA PRO B 49 0.951 -2.791 3.188 1.00 0.00 C ATOM 1938 C PRO B 49 2.022 -1.708 3.139 1.00 0.00 C ATOM 1939 O PRO B 49 1.760 -0.547 3.458 1.00 0.00 O ATOM 1940 CB PRO B 49 1.244 -3.778 4.323 1.00 0.00 C ATOM 1941 CG PRO B 49 1.944 -4.917 3.666 1.00 0.00 C ATOM 1942 CD PRO B 49 1.361 -5.019 2.286 1.00 0.00 C ATOM 0 HA PRO B 49 0.009 -2.254 3.303 1.00 0.00 H new ATOM 0 HB2 PRO B 49 1.867 -3.322 5.093 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.325 -4.106 4.809 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.019 -4.742 3.624 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.793 -5.842 4.223 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.093 -5.384 1.566 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.515 -5.706 2.257 1.00 0.00 H new ATOM 1950 N PHE B 50 3.230 -2.092 2.739 1.00 0.00 N ATOM 1951 CA PHE B 50 4.340 -1.151 2.651 1.00 0.00 C ATOM 1952 C PHE B 50 5.305 -1.552 1.540 1.00 0.00 C ATOM 1953 O PHE B 50 5.368 -2.718 1.151 1.00 0.00 O ATOM 1954 CB PHE B 50 5.082 -1.082 3.989 1.00 0.00 C ATOM 1955 CG PHE B 50 5.745 -2.374 4.381 1.00 0.00 C ATOM 1956 CD1 PHE B 50 5.006 -3.410 4.930 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.109 -2.550 4.202 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.615 -4.598 5.290 1.00 0.00 C ATOM 1959 CE2 PHE B 50 7.722 -3.735 4.561 1.00 0.00 C ATOM 1960 CZ PHE B 50 6.974 -4.760 5.107 1.00 0.00 C ATOM 0 H PHE B 50 3.465 -3.048 2.471 1.00 0.00 H new ATOM 0 HA PHE B 50 3.934 -0.167 2.417 1.00 0.00 H new ATOM 0 HB2 PHE B 50 5.837 -0.298 3.935 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.378 -0.794 4.770 1.00 0.00 H new ATOM 0 HD1 PHE B 50 3.943 -3.288 5.078 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.699 -1.751 3.777 1.00 0.00 H new ATOM 0 HE1 PHE B 50 5.028 -5.399 5.714 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.785 -3.860 4.415 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.451 -5.686 5.390 1.00 0.00 H new ATOM 1970 N ALA B 51 6.051 -0.577 1.031 1.00 0.00 N ATOM 1971 CA ALA B 51 7.013 -0.833 -0.035 1.00 0.00 C ATOM 1972 C ALA B 51 8.145 -1.724 0.460 1.00 0.00 C ATOM 1973 O ALA B 51 8.660 -1.536 1.564 1.00 0.00 O ATOM 1974 CB ALA B 51 7.566 0.477 -0.576 1.00 0.00 C ATOM 0 H ALA B 51 6.008 0.395 1.338 1.00 0.00 H new ATOM 0 HA ALA B 51 6.498 -1.354 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.282 0.269 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA B 51 6.749 1.081 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.063 1.021 0.227 1.00 0.00 H new ATOM 1980 N GLY B 52 8.529 -2.697 -0.361 1.00 0.00 N ATOM 1981 CA GLY B 52 9.598 -3.603 0.015 1.00 0.00 C ATOM 1982 C GLY B 52 10.064 -4.464 -1.143 1.00 0.00 C ATOM 1983 O GLY B 52 9.696 -4.219 -2.293 1.00 0.00 O ATOM 0 H GLY B 52 8.119 -2.874 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.441 -3.027 0.397 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.257 -4.245 0.827 1.00 0.00 H new ATOM 1987 N VAL B 53 10.875 -5.475 -0.841 1.00 0.00 N ATOM 1988 CA VAL B 53 11.396 -6.372 -1.868 1.00 0.00 C ATOM 1989 C VAL B 53 11.180 -7.836 -1.493 1.00 0.00 C ATOM 1990 O VAL B 53 11.222 -8.199 -0.317 1.00 0.00 O ATOM 1991 CB VAL B 53 12.901 -6.133 -2.105 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.395 -6.948 -3.292 1.00 0.00 C ATOM 1993 CG2 VAL B 53 13.181 -4.653 -2.313 1.00 0.00 C ATOM 0 H VAL B 53 11.185 -5.693 0.106 1.00 0.00 H new ATOM 0 HA VAL B 53 10.846 -6.154 -2.784 1.00 0.00 H new ATOM 0 HB VAL B 53 13.444 -6.462 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.459 -6.765 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.233 -8.008 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL B 53 12.847 -6.655 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL B 53 14.248 -4.504 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL B 53 12.626 -4.296 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL B 53 12.870 -4.096 -1.429 1.00 0.00 H new ATOM 2003 N VAL B 54 10.951 -8.672 -2.502 1.00 0.00 N ATOM 2004 CA VAL B 54 10.735 -10.097 -2.284 1.00 0.00 C ATOM 2005 C VAL B 54 12.034 -10.792 -1.880 1.00 0.00 C ATOM 2006 O VAL B 54 12.968 -10.893 -2.676 1.00 0.00 O ATOM 2007 CB VAL B 54 10.165 -10.773 -3.549 1.00 0.00 C ATOM 2008 CG1 VAL B 54 10.089 -12.283 -3.366 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.795 -10.204 -3.882 1.00 0.00 C ATOM 0 H VAL B 54 10.910 -8.385 -3.480 1.00 0.00 H new ATOM 0 HA VAL B 54 10.012 -10.194 -1.474 1.00 0.00 H new ATOM 0 HB VAL B 54 10.837 -10.566 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL B 54 9.684 -12.739 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL B 54 11.087 -12.677 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL B 54 9.441 -12.515 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL B 54 8.406 -10.691 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL B 54 8.115 -10.381 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.880 -9.132 -4.060 1.00 0.00 H new ATOM 2019 N LYS B 55 12.086 -11.265 -0.637 1.00 0.00 N ATOM 2020 CA LYS B 55 13.272 -11.945 -0.125 1.00 0.00 C ATOM 2021 C LYS B 55 13.065 -13.456 -0.089 1.00 0.00 C ATOM 2022 O LYS B 55 13.975 -14.223 -0.404 1.00 0.00 O ATOM 2023 CB LYS B 55 13.614 -11.431 1.274 1.00 0.00 C ATOM 2024 CG LYS B 55 14.853 -12.077 1.875 1.00 0.00 C ATOM 2025 CD LYS B 55 15.129 -11.555 3.275 1.00 0.00 C ATOM 2026 CE LYS B 55 16.341 -12.232 3.893 1.00 0.00 C ATOM 2027 NZ LYS B 55 17.571 -12.010 3.084 1.00 0.00 N ATOM 0 H LYS B 55 11.321 -11.190 0.033 1.00 0.00 H new ATOM 0 HA LYS B 55 14.102 -11.729 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS B 55 13.763 -10.352 1.229 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.765 -11.609 1.935 1.00 0.00 H new ATOM 0 HG2 LYS B 55 14.721 -13.158 1.908 1.00 0.00 H new ATOM 0 HG3 LYS B 55 15.714 -11.880 1.236 1.00 0.00 H new ATOM 0 HD2 LYS B 55 15.292 -10.478 3.237 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.256 -11.723 3.906 1.00 0.00 H new ATOM 0 HE2 LYS B 55 16.496 -11.850 4.902 1.00 0.00 H new ATOM 0 HE3 LYS B 55 16.153 -13.302 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 18.406 -12.291 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 17.523 -12.580 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 17.645 -11.003 2.833 1.00 0.00 H new ATOM 2041 N GLU B 56 11.865 -13.877 0.296 1.00 0.00 N ATOM 2042 CA GLU B 56 11.547 -15.299 0.373 1.00 0.00 C ATOM 2043 C GLU B 56 10.069 -15.547 0.092 1.00 0.00 C ATOM 2044 O GLU B 56 9.201 -14.851 0.619 1.00 0.00 O ATOM 2045 CB GLU B 56 11.916 -15.848 1.753 1.00 0.00 C ATOM 2046 CG GLU B 56 11.779 -17.359 1.864 1.00 0.00 C ATOM 2047 CD GLU B 56 12.716 -18.099 0.930 1.00 0.00 C ATOM 2048 OE1 GLU B 56 13.857 -18.393 1.343 1.00 0.00 O ATOM 2049 OE2 GLU B 56 12.309 -18.386 -0.216 1.00 0.00 O ATOM 0 H GLU B 56 11.099 -13.257 0.559 1.00 0.00 H new ATOM 0 HA GLU B 56 12.131 -15.817 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU B 56 12.944 -15.567 1.984 1.00 0.00 H new ATOM 0 HB3 GLU B 56 11.281 -15.378 2.504 1.00 0.00 H new ATOM 0 HG2 GLU B 56 11.980 -17.664 2.891 1.00 0.00 H new ATOM 0 HG3 GLU B 56 10.751 -17.644 1.642 1.00 0.00 H new ATOM 2056 N LEU B 57 9.792 -16.543 -0.744 1.00 0.00 N ATOM 2057 CA LEU B 57 8.420 -16.890 -1.097 1.00 0.00 C ATOM 2058 C LEU B 57 7.833 -17.868 -0.085 1.00 0.00 C ATOM 2059 O LEU B 57 8.523 -18.764 0.399 1.00 0.00 O ATOM 2060 CB LEU B 57 8.371 -17.501 -2.500 1.00 0.00 C ATOM 2061 CG LEU B 57 6.971 -17.858 -3.004 1.00 0.00 C ATOM 2062 CD1 LEU B 57 6.118 -16.607 -3.146 1.00 0.00 C ATOM 2063 CD2 LEU B 57 7.058 -18.599 -4.330 1.00 0.00 C ATOM 0 H LEU B 57 10.501 -17.125 -1.190 1.00 0.00 H new ATOM 0 HA LEU B 57 7.824 -15.977 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU B 57 8.825 -16.800 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU B 57 8.984 -18.402 -2.509 1.00 0.00 H new ATOM 0 HG LEU B 57 6.498 -18.513 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU B 57 5.126 -16.882 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU B 57 6.029 -16.115 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU B 57 6.586 -15.926 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU B 57 6.054 -18.846 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU B 57 7.550 -17.967 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU B 57 7.632 -19.516 -4.197 1.00 0.00 H new ATOM 2075 N LYS B 58 6.554 -17.687 0.234 1.00 0.00 N ATOM 2076 CA LYS B 58 5.877 -18.555 1.192 1.00 0.00 C ATOM 2077 C LYS B 58 4.517 -19.005 0.667 1.00 0.00 C ATOM 2078 O LYS B 58 3.784 -19.716 1.355 1.00 0.00 O ATOM 2079 CB LYS B 58 5.703 -17.834 2.530 1.00 0.00 C ATOM 2080 CG LYS B 58 7.014 -17.498 3.222 1.00 0.00 C ATOM 2081 CD LYS B 58 7.763 -18.752 3.644 1.00 0.00 C ATOM 2082 CE LYS B 58 9.067 -18.414 4.349 1.00 0.00 C ATOM 2083 NZ LYS B 58 8.842 -17.591 5.570 1.00 0.00 N ATOM 0 H LYS B 58 5.967 -16.949 -0.156 1.00 0.00 H new ATOM 0 HA LYS B 58 6.498 -19.439 1.336 1.00 0.00 H new ATOM 0 HB2 LYS B 58 5.144 -16.913 2.366 1.00 0.00 H new ATOM 0 HB3 LYS B 58 5.103 -18.458 3.193 1.00 0.00 H new ATOM 0 HG2 LYS B 58 7.639 -16.909 2.551 1.00 0.00 H new ATOM 0 HG3 LYS B 58 6.816 -16.880 4.098 1.00 0.00 H new ATOM 0 HD2 LYS B 58 7.134 -19.347 4.306 1.00 0.00 H new ATOM 0 HD3 LYS B 58 7.971 -19.365 2.767 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.581 -19.335 4.622 1.00 0.00 H new ATOM 0 HE3 LYS B 58 9.721 -17.875 3.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 9.702 -17.594 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 8.615 -16.614 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 8.051 -17.989 6.116 1.00 0.00 H new ATOM 2097 N VAL B 59 4.183 -18.592 -0.551 1.00 0.00 N ATOM 2098 CA VAL B 59 2.906 -18.956 -1.154 1.00 0.00 C ATOM 2099 C VAL B 59 3.066 -19.301 -2.630 1.00 0.00 C ATOM 2100 O VAL B 59 3.849 -18.675 -3.344 1.00 0.00 O ATOM 2101 CB VAL B 59 1.874 -17.821 -1.011 1.00 0.00 C ATOM 2102 CG1 VAL B 59 1.525 -17.596 0.452 1.00 0.00 C ATOM 2103 CG2 VAL B 59 2.397 -16.540 -1.645 1.00 0.00 C ATOM 0 H VAL B 59 4.777 -18.007 -1.139 1.00 0.00 H new ATOM 0 HA VAL B 59 2.546 -19.835 -0.619 1.00 0.00 H new ATOM 0 HB VAL B 59 0.965 -18.114 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.795 -16.791 0.532 1.00 0.00 H new ATOM 0 HG12 VAL B 59 1.104 -18.510 0.870 1.00 0.00 H new ATOM 0 HG13 VAL B 59 2.425 -17.326 1.003 1.00 0.00 H new ATOM 0 HG21 VAL B 59 1.655 -15.750 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.322 -16.241 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL B 59 2.590 -16.711 -2.704 1.00 0.00 H new ATOM 2113 N ASN B 60 2.317 -20.301 -3.080 1.00 0.00 N ATOM 2114 CA ASN B 60 2.368 -20.730 -4.472 1.00 0.00 C ATOM 2115 C ASN B 60 1.155 -20.218 -5.240 1.00 0.00 C ATOM 2116 O ASN B 60 0.076 -20.045 -4.672 1.00 0.00 O ATOM 2117 CB ASN B 60 2.433 -22.257 -4.559 1.00 0.00 C ATOM 2118 CG ASN B 60 3.785 -22.814 -4.150 1.00 0.00 C ATOM 2119 OD1 ASN B 60 4.464 -22.130 -3.235 1.00 0.00 O flip ATOM 2120 ND2 ASN B 60 4.214 -23.853 -4.651 1.00 0.00 N flip ATOM 0 H ASN B 60 1.666 -20.830 -2.500 1.00 0.00 H new ATOM 0 HA ASN B 60 3.268 -20.311 -4.922 1.00 0.00 H new ATOM 0 HB2 ASN B 60 1.661 -22.686 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.211 -22.568 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN B 60 3.661 -24.348 -5.351 1.00 0.00 H new ATOM 0 HD22 ASN B 60 5.123 -24.219 -4.367 1.00 0.00 H new ATOM 2127 N VAL B 61 1.338 -19.974 -6.534 1.00 0.00 N ATOM 2128 CA VAL B 61 0.255 -19.484 -7.379 1.00 0.00 C ATOM 2129 C VAL B 61 -0.850 -20.525 -7.505 1.00 0.00 C ATOM 2130 O VAL B 61 -0.599 -21.669 -7.884 1.00 0.00 O ATOM 2131 CB VAL B 61 0.761 -19.110 -8.786 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -0.360 -18.503 -9.615 1.00 0.00 C ATOM 2133 CG2 VAL B 61 1.940 -18.154 -8.694 1.00 0.00 C ATOM 0 H VAL B 61 2.225 -20.107 -7.020 1.00 0.00 H new ATOM 0 HA VAL B 61 -0.143 -18.590 -6.900 1.00 0.00 H new ATOM 0 HB VAL B 61 1.097 -20.020 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL B 61 0.018 -18.246 -10.605 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -1.172 -19.224 -9.712 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -0.730 -17.604 -9.123 1.00 0.00 H new ATOM 0 HG21 VAL B 61 2.283 -17.902 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL B 61 1.632 -17.245 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL B 61 2.751 -18.629 -8.142 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.075 -20.119 -7.187 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.202 -21.029 -7.266 1.00 0.00 C ATOM 2145 C GLY B 62 -3.456 -21.736 -5.951 1.00 0.00 C ATOM 2146 O GLY B 62 -4.341 -22.588 -5.856 1.00 0.00 O ATOM 0 H GLY B 62 -2.307 -19.176 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -4.095 -20.476 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -3.016 -21.769 -8.045 1.00 0.00 H new ATOM 2150 N ASP B 63 -2.676 -21.381 -4.934 1.00 0.00 N ATOM 2151 CA ASP B 63 -2.816 -21.984 -3.616 1.00 0.00 C ATOM 2152 C ASP B 63 -3.742 -21.151 -2.735 1.00 0.00 C ATOM 2153 O ASP B 63 -3.483 -19.974 -2.486 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.448 -22.126 -2.946 1.00 0.00 C ATOM 2155 CG ASP B 63 -1.540 -22.769 -1.576 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -1.469 -24.013 -1.498 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -1.684 -22.027 -0.581 1.00 0.00 O ATOM 0 H ASP B 63 -1.940 -20.678 -4.999 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.254 -22.974 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -0.795 -22.724 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -0.988 -21.142 -2.853 1.00 0.00 H new ATOM 2162 N LYS B 64 -4.820 -21.775 -2.271 1.00 0.00 N ATOM 2163 CA LYS B 64 -5.793 -21.104 -1.418 1.00 0.00 C ATOM 2164 C LYS B 64 -5.112 -20.450 -0.218 1.00 0.00 C ATOM 2165 O LYS B 64 -4.168 -21.001 0.349 1.00 0.00 O ATOM 2166 CB LYS B 64 -6.840 -22.111 -0.941 1.00 0.00 C ATOM 2167 CG LYS B 64 -7.955 -21.489 -0.120 1.00 0.00 C ATOM 2168 CD LYS B 64 -8.973 -22.531 0.311 1.00 0.00 C ATOM 2169 CE LYS B 64 -10.142 -21.898 1.047 1.00 0.00 C ATOM 2170 NZ LYS B 64 -11.143 -22.915 1.477 1.00 0.00 N ATOM 0 H LYS B 64 -5.042 -22.750 -2.473 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.279 -20.321 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -7.274 -22.609 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -6.347 -22.879 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -7.534 -21.004 0.760 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -8.451 -20.714 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -9.340 -23.066 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -8.492 -23.267 0.955 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -9.773 -21.360 1.920 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -10.624 -21.165 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -11.925 -22.444 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -11.514 -23.412 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -10.690 -23.601 2.114 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.597 -19.273 0.160 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.041 -18.538 1.289 1.00 0.00 C ATOM 2186 C VAL B 65 -6.000 -18.549 2.477 1.00 0.00 C ATOM 2187 O VAL B 65 -7.191 -18.824 2.323 1.00 0.00 O ATOM 2188 CB VAL B 65 -4.736 -17.076 0.905 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.020 -16.263 0.826 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.758 -16.448 1.887 1.00 0.00 C ATOM 0 H VAL B 65 -6.378 -18.806 -0.301 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.113 -19.037 1.570 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.270 -17.075 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.783 -15.234 0.554 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.679 -16.695 0.073 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.519 -16.276 1.795 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.559 -15.417 1.594 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.187 -16.464 2.889 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -2.825 -17.012 1.883 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.476 -18.246 3.660 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.287 -18.215 4.873 1.00 0.00 C ATOM 2202 C LYS B 66 -5.825 -17.103 5.808 1.00 0.00 C ATOM 2203 O LYS B 66 -4.650 -16.735 5.818 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.221 -19.562 5.591 1.00 0.00 C ATOM 2205 CG LYS B 66 -6.815 -20.705 4.787 1.00 0.00 C ATOM 2206 CD LYS B 66 -6.672 -22.032 5.516 1.00 0.00 C ATOM 2207 CE LYS B 66 -7.288 -23.174 4.723 1.00 0.00 C ATOM 2208 NZ LYS B 66 -8.753 -22.991 4.528 1.00 0.00 N ATOM 0 H LYS B 66 -4.492 -18.018 3.805 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.319 -18.016 4.584 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.181 -19.792 5.821 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -6.748 -19.484 6.542 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -7.869 -20.506 4.594 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.320 -20.766 3.818 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -5.617 -22.239 5.693 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -7.152 -21.965 6.492 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -6.799 -23.246 3.751 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -7.106 -24.115 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -9.174 -23.884 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -9.191 -22.713 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -8.919 -22.249 3.819 1.00 0.00 H new ATOM 2222 N THR B 67 -6.758 -16.571 6.593 1.00 0.00 N ATOM 2223 CA THR B 67 -6.450 -15.497 7.531 1.00 0.00 C ATOM 2224 C THR B 67 -5.482 -15.970 8.611 1.00 0.00 C ATOM 2225 O THR B 67 -5.771 -16.912 9.349 1.00 0.00 O ATOM 2226 CB THR B 67 -7.726 -14.955 8.202 1.00 0.00 C ATOM 2227 OG1 THR B 67 -8.701 -14.628 7.205 1.00 0.00 O ATOM 2228 CG2 THR B 67 -7.418 -13.720 9.035 1.00 0.00 C ATOM 0 H THR B 67 -7.734 -16.867 6.598 1.00 0.00 H new ATOM 0 HA THR B 67 -5.984 -14.698 6.955 1.00 0.00 H new ATOM 0 HB THR B 67 -8.120 -15.730 8.860 1.00 0.00 H new ATOM 0 HG1 THR B 67 -9.510 -14.286 7.639 1.00 0.00 H new ATOM 0 HG21 THR B 67 -8.335 -13.356 9.499 1.00 0.00 H new ATOM 0 HG22 THR B 67 -6.696 -13.975 9.810 1.00 0.00 H new ATOM 0 HG23 THR B 67 -7.002 -12.943 8.394 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.333 -15.308 8.696 1.00 0.00 N ATOM 2237 CA GLY B 68 -3.338 -15.670 9.687 1.00 0.00 C ATOM 2238 C GLY B 68 -2.109 -16.309 9.071 1.00 0.00 C ATOM 2239 O GLY B 68 -1.071 -16.431 9.724 1.00 0.00 O ATOM 0 H GLY B 68 -4.073 -14.526 8.095 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -3.041 -14.779 10.241 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -3.780 -16.360 10.406 1.00 0.00 H new ATOM 2243 N SER B 69 -2.225 -16.719 7.811 1.00 0.00 N ATOM 2244 CA SER B 69 -1.115 -17.351 7.106 1.00 0.00 C ATOM 2245 C SER B 69 -0.205 -16.304 6.473 1.00 0.00 C ATOM 2246 O SER B 69 -0.660 -15.232 6.073 1.00 0.00 O ATOM 2247 CB SER B 69 -1.644 -18.300 6.028 1.00 0.00 C ATOM 2248 OG SER B 69 -0.580 -18.946 5.349 1.00 0.00 O ATOM 0 H SER B 69 -3.077 -16.625 7.258 1.00 0.00 H new ATOM 0 HA SER B 69 -0.534 -17.921 7.831 1.00 0.00 H new ATOM 0 HB2 SER B 69 -2.295 -19.046 6.484 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.250 -17.742 5.314 1.00 0.00 H new ATOM 0 HG SER B 69 -0.945 -19.548 4.667 1.00 0.00 H new ATOM 2254 N LEU B 70 1.084 -16.621 6.384 1.00 0.00 N ATOM 2255 CA LEU B 70 2.056 -15.706 5.795 1.00 0.00 C ATOM 2256 C LEU B 70 1.940 -15.708 4.276 1.00 0.00 C ATOM 2257 O LEU B 70 1.848 -16.766 3.653 1.00 0.00 O ATOM 2258 CB LEU B 70 3.482 -16.088 6.210 1.00 0.00 C ATOM 2259 CG LEU B 70 3.842 -15.817 7.676 1.00 0.00 C ATOM 2260 CD1 LEU B 70 3.599 -14.356 8.029 1.00 0.00 C ATOM 2261 CD2 LEU B 70 3.056 -16.730 8.604 1.00 0.00 C ATOM 0 H LEU B 70 1.479 -17.503 6.712 1.00 0.00 H new ATOM 0 HA LEU B 70 1.842 -14.703 6.164 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.627 -17.149 6.009 1.00 0.00 H new ATOM 0 HB3 LEU B 70 4.183 -15.545 5.576 1.00 0.00 H new ATOM 0 HG LEU B 70 4.903 -16.029 7.808 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.861 -14.186 9.073 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.215 -13.721 7.392 1.00 0.00 H new ATOM 0 HD13 LEU B 70 2.547 -14.114 7.875 1.00 0.00 H new ATOM 0 HD21 LEU B 70 3.328 -16.519 9.638 1.00 0.00 H new ATOM 0 HD22 LEU B 70 1.989 -16.556 8.467 1.00 0.00 H new ATOM 0 HD23 LEU B 70 3.287 -17.770 8.373 1.00 0.00 H new ATOM 2273 N ILE B 71 1.944 -14.518 3.686 1.00 0.00 N ATOM 2274 CA ILE B 71 1.833 -14.388 2.238 1.00 0.00 C ATOM 2275 C ILE B 71 3.150 -13.933 1.615 1.00 0.00 C ATOM 2276 O ILE B 71 3.657 -14.568 0.690 1.00 0.00 O ATOM 2277 CB ILE B 71 0.712 -13.405 1.844 1.00 0.00 C ATOM 2278 CG1 ILE B 71 0.807 -12.115 2.666 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.648 -14.063 2.030 1.00 0.00 C ATOM 2280 CD1 ILE B 71 -0.149 -11.032 2.211 1.00 0.00 C ATOM 0 H ILE B 71 2.023 -13.632 4.186 1.00 0.00 H new ATOM 0 HA ILE B 71 1.585 -15.377 1.853 1.00 0.00 H new ATOM 0 HB ILE B 71 0.832 -13.143 0.793 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.609 -12.346 3.713 1.00 0.00 H new ATOM 0 HG13 ILE B 71 1.827 -11.734 2.611 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.433 -13.361 1.749 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.712 -14.950 1.400 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -0.774 -14.350 3.074 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -0.025 -10.150 2.839 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.063 -10.772 1.174 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.174 -11.394 2.292 1.00 0.00 H new ATOM 2292 N MET B 72 3.705 -12.837 2.128 1.00 0.00 N ATOM 2293 CA MET B 72 4.960 -12.301 1.611 1.00 0.00 C ATOM 2294 C MET B 72 5.756 -11.605 2.712 1.00 0.00 C ATOM 2295 O MET B 72 5.193 -11.151 3.709 1.00 0.00 O ATOM 2296 CB MET B 72 4.691 -11.312 0.473 1.00 0.00 C ATOM 2297 CG MET B 72 4.067 -11.947 -0.761 1.00 0.00 C ATOM 2298 SD MET B 72 5.153 -13.149 -1.551 1.00 0.00 S ATOM 2299 CE MET B 72 4.156 -13.628 -2.961 1.00 0.00 C ATOM 0 H MET B 72 3.305 -12.304 2.900 1.00 0.00 H new ATOM 0 HA MET B 72 5.546 -13.138 1.232 1.00 0.00 H new ATOM 0 HB2 MET B 72 4.031 -10.525 0.837 1.00 0.00 H new ATOM 0 HB3 MET B 72 5.629 -10.836 0.189 1.00 0.00 H new ATOM 0 HG2 MET B 72 3.134 -12.436 -0.480 1.00 0.00 H new ATOM 0 HG3 MET B 72 3.814 -11.166 -1.478 1.00 0.00 H new ATOM 0 HE1 MET B 72 4.058 -14.713 -2.986 1.00 0.00 H new ATOM 0 HE2 MET B 72 3.167 -13.176 -2.878 1.00 0.00 H new ATOM 0 HE3 MET B 72 4.635 -13.286 -3.878 1.00 0.00 H new ATOM 2309 N ILE B 73 7.069 -11.529 2.522 1.00 0.00 N ATOM 2310 CA ILE B 73 7.951 -10.876 3.482 1.00 0.00 C ATOM 2311 C ILE B 73 8.850 -9.873 2.768 1.00 0.00 C ATOM 2312 O ILE B 73 9.436 -10.185 1.730 1.00 0.00 O ATOM 2313 CB ILE B 73 8.827 -11.893 4.244 1.00 0.00 C ATOM 2314 CG1 ILE B 73 7.964 -13.008 4.842 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.620 -11.191 5.338 1.00 0.00 C ATOM 2316 CD1 ILE B 73 7.684 -14.142 3.880 1.00 0.00 C ATOM 0 H ILE B 73 7.548 -11.914 1.708 1.00 0.00 H new ATOM 0 HA ILE B 73 7.319 -10.362 4.206 1.00 0.00 H new ATOM 0 HB ILE B 73 9.526 -12.342 3.539 1.00 0.00 H new ATOM 0 HG12 ILE B 73 8.463 -13.407 5.725 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.017 -12.583 5.175 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.233 -11.920 5.867 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.262 -10.432 4.892 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.933 -10.718 6.039 1.00 0.00 H new ATOM 0 HD11 ILE B 73 7.068 -14.894 4.373 1.00 0.00 H new ATOM 0 HD12 ILE B 73 7.157 -13.757 3.007 1.00 0.00 H new ATOM 0 HD13 ILE B 73 8.625 -14.593 3.566 1.00 0.00 H new ATOM 2328 N PHE B 74 8.959 -8.671 3.323 1.00 0.00 N ATOM 2329 CA PHE B 74 9.775 -7.627 2.714 1.00 0.00 C ATOM 2330 C PHE B 74 10.808 -7.081 3.691 1.00 0.00 C ATOM 2331 O PHE B 74 10.492 -6.810 4.849 1.00 0.00 O ATOM 2332 CB PHE B 74 8.885 -6.482 2.233 1.00 0.00 C ATOM 2333 CG PHE B 74 7.669 -6.935 1.476 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.793 -7.614 0.275 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.399 -6.677 1.968 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.673 -8.026 -0.422 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.276 -7.086 1.276 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.412 -7.762 0.078 1.00 0.00 C ATOM 0 H PHE B 74 8.495 -8.396 4.189 1.00 0.00 H new ATOM 0 HA PHE B 74 10.301 -8.072 1.869 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.567 -5.895 3.095 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.472 -5.821 1.596 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.776 -7.824 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.286 -6.150 2.904 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.783 -8.554 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.292 -6.878 1.671 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.536 -8.083 -0.466 1.00 0.00 H new ATOM 2348 N GLU B 75 12.038 -6.912 3.214 1.00 0.00 N ATOM 2349 CA GLU B 75 13.111 -6.378 4.045 1.00 0.00 C ATOM 2350 C GLU B 75 13.320 -4.899 3.752 1.00 0.00 C ATOM 2351 O GLU B 75 14.068 -4.533 2.844 1.00 0.00 O ATOM 2352 CB GLU B 75 14.412 -7.147 3.808 1.00 0.00 C ATOM 2353 CG GLU B 75 15.491 -6.846 4.837 1.00 0.00 C ATOM 2354 CD GLU B 75 16.814 -7.508 4.508 1.00 0.00 C ATOM 2355 OE1 GLU B 75 17.566 -6.954 3.678 1.00 0.00 O ATOM 2356 OE2 GLU B 75 17.100 -8.581 5.080 1.00 0.00 O ATOM 0 H GLU B 75 12.315 -7.137 2.259 1.00 0.00 H new ATOM 0 HA GLU B 75 12.824 -6.495 5.090 1.00 0.00 H new ATOM 0 HB2 GLU B 75 14.200 -8.216 3.818 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.791 -6.907 2.815 1.00 0.00 H new ATOM 0 HG2 GLU B 75 15.635 -5.767 4.901 1.00 0.00 H new ATOM 0 HG3 GLU B 75 15.155 -7.182 5.818 1.00 0.00 H new ATOM 2363 N VAL B 76 12.648 -4.051 4.521 1.00 0.00 N ATOM 2364 CA VAL B 76 12.755 -2.610 4.343 1.00 0.00 C ATOM 2365 C VAL B 76 14.000 -2.058 5.031 1.00 0.00 C ATOM 2366 O VAL B 76 14.136 -2.142 6.250 1.00 0.00 O ATOM 2367 CB VAL B 76 11.508 -1.880 4.886 1.00 0.00 C ATOM 2368 CG1 VAL B 76 11.096 -2.442 6.236 1.00 0.00 C ATOM 2369 CG2 VAL B 76 11.768 -0.388 4.992 1.00 0.00 C ATOM 0 H VAL B 76 12.023 -4.338 5.274 1.00 0.00 H new ATOM 0 HA VAL B 76 12.831 -2.430 3.271 1.00 0.00 H new ATOM 0 HB VAL B 76 10.690 -2.042 4.185 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.215 -1.911 6.598 1.00 0.00 H new ATOM 0 HG12 VAL B 76 10.864 -3.502 6.133 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.913 -2.316 6.947 1.00 0.00 H new ATOM 0 HG21 VAL B 76 10.878 0.110 5.376 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.604 -0.212 5.669 1.00 0.00 H new ATOM 0 HG23 VAL B 76 12.009 0.010 4.006 1.00 0.00 H new