USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 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 34 SER OG : rot 180:sc= -0.478 USER MOD Single : A 36 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.61) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.358) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -2.02 K(o=-2,f=-3.9!) USER MOD Single : A 59 CYS SG : rot -10:sc= -13! USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -0.335 (180deg=-1.72!) USER MOD Single : A 86 THR OG1 : rot -157:sc= -5.59! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.180 -10.055 -15.204 1.00 0.00 N ATOM 538 CA GLY A 33 4.334 -9.352 -16.509 1.00 0.00 C ATOM 539 C GLY A 33 3.409 -9.989 -17.548 1.00 0.00 C ATOM 540 O GLY A 33 3.656 -9.925 -18.735 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.095 -8.295 -16.394 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.369 -9.410 -16.845 1.00 0.00 H new ATOM 544 N SER A 34 2.346 -10.605 -17.109 1.00 0.00 N ATOM 545 CA SER A 34 1.405 -11.247 -18.072 1.00 0.00 C ATOM 546 C SER A 34 0.196 -10.336 -18.287 1.00 0.00 C ATOM 547 O SER A 34 0.029 -9.337 -17.615 1.00 0.00 O ATOM 548 CB SER A 34 0.937 -12.590 -17.512 1.00 0.00 C ATOM 549 OG SER A 34 -0.158 -13.065 -18.284 1.00 0.00 O ATOM 0 H SER A 34 2.088 -10.692 -16.126 1.00 0.00 H new ATOM 0 HA SER A 34 1.913 -11.408 -19.023 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.754 -13.311 -17.536 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.640 -12.479 -16.469 1.00 0.00 H new ATOM 0 HG SER A 34 -0.460 -13.927 -17.928 1.00 0.00 H new ATOM 555 N VAL A 35 -0.651 -10.672 -19.220 1.00 0.00 N ATOM 556 CA VAL A 35 -1.849 -9.828 -19.479 1.00 0.00 C ATOM 557 C VAL A 35 -3.115 -10.652 -19.233 1.00 0.00 C ATOM 558 O VAL A 35 -3.079 -11.865 -19.198 1.00 0.00 O ATOM 559 CB VAL A 35 -1.829 -9.344 -20.930 1.00 0.00 C ATOM 560 CG1 VAL A 35 -2.870 -8.239 -21.116 1.00 0.00 C ATOM 561 CG2 VAL A 35 -0.440 -8.795 -21.263 1.00 0.00 C ATOM 0 H VAL A 35 -0.564 -11.496 -19.815 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.839 -8.968 -18.810 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.062 -10.177 -21.593 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.855 -7.895 -22.150 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.860 -8.628 -20.878 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.638 -7.405 -20.453 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.424 -8.450 -22.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.209 -7.963 -20.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.303 -9.581 -21.131 1.00 0.00 H new ATOM 571 N HIS A 36 -4.232 -10.002 -19.059 1.00 0.00 N ATOM 572 CA HIS A 36 -5.497 -10.748 -18.813 1.00 0.00 C ATOM 573 C HIS A 36 -6.676 -9.773 -18.834 1.00 0.00 C ATOM 574 O HIS A 36 -6.502 -8.571 -18.803 1.00 0.00 O ATOM 575 CB HIS A 36 -5.429 -11.433 -17.446 1.00 0.00 C ATOM 576 CG HIS A 36 -5.584 -12.920 -17.618 1.00 0.00 C ATOM 577 ND1 HIS A 36 -6.588 -13.475 -18.395 1.00 0.00 N ATOM 578 CD2 HIS A 36 -4.870 -13.980 -17.116 1.00 0.00 C ATOM 579 CE1 HIS A 36 -6.451 -14.812 -18.339 1.00 0.00 C ATOM 580 NE2 HIS A 36 -5.419 -15.173 -17.572 1.00 0.00 N ATOM 0 H HIS A 36 -4.323 -8.986 -19.077 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.631 -11.500 -19.591 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.478 -11.210 -16.963 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.215 -11.048 -16.796 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.012 -13.899 -16.465 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.097 -15.509 -18.852 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.102 -16.120 -17.365 1.00 0.00 H new ATOM 588 N GLU A 37 -7.876 -10.283 -18.885 1.00 0.00 N ATOM 589 CA GLU A 37 -9.067 -9.386 -18.906 1.00 0.00 C ATOM 590 C GLU A 37 -9.649 -9.287 -17.495 1.00 0.00 C ATOM 591 O GLU A 37 -9.865 -10.282 -16.832 1.00 0.00 O ATOM 592 CB GLU A 37 -10.120 -9.961 -19.855 1.00 0.00 C ATOM 593 CG GLU A 37 -9.592 -9.916 -21.290 1.00 0.00 C ATOM 594 CD GLU A 37 -10.194 -11.072 -22.091 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.341 -10.958 -22.489 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.495 -12.052 -22.294 1.00 0.00 O ATOM 0 H GLU A 37 -8.084 -11.281 -18.913 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.773 -8.394 -19.250 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.356 -10.988 -19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.045 -9.389 -19.778 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.850 -8.964 -21.754 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.504 -9.986 -21.291 1.00 0.00 H new ATOM 603 N GLY A 38 -9.900 -8.095 -17.025 1.00 0.00 N ATOM 604 CA GLY A 38 -10.462 -7.944 -15.653 1.00 0.00 C ATOM 605 C GLY A 38 -11.324 -6.682 -15.578 1.00 0.00 C ATOM 606 O GLY A 38 -11.414 -5.918 -16.523 1.00 0.00 O ATOM 0 H GLY A 38 -9.741 -7.223 -17.530 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.060 -8.819 -15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.654 -7.886 -14.924 1.00 0.00 H new ATOM 610 N ILE A 39 -11.958 -6.458 -14.459 1.00 0.00 N ATOM 611 CA ILE A 39 -12.814 -5.248 -14.311 1.00 0.00 C ATOM 612 C ILE A 39 -12.019 -4.162 -13.585 1.00 0.00 C ATOM 613 O ILE A 39 -11.053 -4.439 -12.904 1.00 0.00 O ATOM 614 CB ILE A 39 -14.063 -5.602 -13.499 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.670 -6.898 -14.041 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.087 -4.473 -13.614 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.186 -7.747 -12.877 1.00 0.00 C ATOM 0 H ILE A 39 -11.919 -7.063 -13.639 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.117 -4.886 -15.294 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.789 -5.736 -12.452 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.485 -6.671 -14.728 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.922 -7.454 -14.606 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.975 -4.727 -13.035 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.655 -3.549 -13.229 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.362 -4.336 -14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.618 -8.670 -13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.360 -7.986 -12.207 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.948 -7.191 -12.330 1.00 0.00 H new ATOM 629 N VAL A 40 -12.407 -2.926 -13.736 1.00 0.00 N ATOM 630 CA VAL A 40 -11.656 -1.823 -13.066 1.00 0.00 C ATOM 631 C VAL A 40 -12.553 -1.122 -12.045 1.00 0.00 C ATOM 632 O VAL A 40 -13.728 -1.409 -11.928 1.00 0.00 O ATOM 633 CB VAL A 40 -11.194 -0.798 -14.110 1.00 0.00 C ATOM 634 CG1 VAL A 40 -9.764 -0.357 -13.790 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.226 -1.419 -15.512 1.00 0.00 C ATOM 0 H VAL A 40 -13.209 -2.631 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.790 -2.249 -12.559 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.864 0.061 -14.083 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.434 0.371 -14.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.736 0.095 -12.799 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.103 -1.223 -13.813 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.896 -0.682 -16.244 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.562 -2.283 -15.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.243 -1.734 -15.747 1.00 0.00 H new ATOM 645 N TYR A 41 -12.007 -0.189 -11.318 1.00 0.00 N ATOM 646 CA TYR A 41 -12.816 0.557 -10.316 1.00 0.00 C ATOM 647 C TYR A 41 -12.148 1.909 -10.048 1.00 0.00 C ATOM 648 O TYR A 41 -10.944 2.035 -10.113 1.00 0.00 O ATOM 649 CB TYR A 41 -12.898 -0.243 -9.014 1.00 0.00 C ATOM 650 CG TYR A 41 -14.313 -0.195 -8.486 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.385 -0.516 -9.329 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.554 0.174 -7.155 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.699 -0.468 -8.843 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.868 0.221 -6.669 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.939 -0.099 -7.512 1.00 0.00 C ATOM 656 OH TYR A 41 -18.233 -0.051 -7.033 1.00 0.00 O ATOM 0 H TYR A 41 -11.028 0.091 -11.375 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.824 0.711 -10.700 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.598 -1.276 -9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.209 0.169 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.199 -0.801 -10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.728 0.422 -6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.525 -0.715 -9.493 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.054 0.504 -5.644 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.223 0.221 -6.092 1.00 0.00 H new ATOM 666 N PHE A 42 -12.913 2.922 -9.757 1.00 0.00 N ATOM 667 CA PHE A 42 -12.299 4.255 -9.498 1.00 0.00 C ATOM 668 C PHE A 42 -12.532 4.654 -8.041 1.00 0.00 C ATOM 669 O PHE A 42 -13.654 4.793 -7.597 1.00 0.00 O ATOM 670 CB PHE A 42 -12.932 5.299 -10.419 1.00 0.00 C ATOM 671 CG PHE A 42 -12.317 6.648 -10.139 1.00 0.00 C ATOM 672 CD1 PHE A 42 -12.833 7.456 -9.118 1.00 0.00 C ATOM 673 CD2 PHE A 42 -11.227 7.091 -10.899 1.00 0.00 C ATOM 674 CE1 PHE A 42 -12.260 8.707 -8.857 1.00 0.00 C ATOM 675 CE2 PHE A 42 -10.653 8.343 -10.638 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.170 9.151 -9.617 1.00 0.00 C ATOM 0 H PHE A 42 -13.930 2.887 -9.687 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.228 4.201 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.775 5.024 -11.462 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.009 5.337 -10.258 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.673 7.114 -8.532 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.829 6.468 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.659 9.330 -8.070 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.812 8.685 -11.224 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.728 10.116 -9.416 1.00 0.00 H new ATOM 727 N ILE A 46 -6.783 6.473 -6.743 1.00 0.00 N ATOM 728 CA ILE A 46 -6.123 5.765 -7.879 1.00 0.00 C ATOM 729 C ILE A 46 -7.148 4.887 -8.594 1.00 0.00 C ATOM 730 O ILE A 46 -8.334 5.156 -8.565 1.00 0.00 O ATOM 731 CB ILE A 46 -4.985 4.893 -7.346 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.569 3.727 -6.544 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.081 5.729 -6.437 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.436 2.962 -5.856 1.00 0.00 C ATOM 0 HA ILE A 46 -5.720 6.497 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.403 4.507 -8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.274 4.100 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.124 3.060 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.271 5.106 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.664 6.561 -7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.663 6.115 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.852 2.132 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.748 2.576 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.900 3.632 -5.184 1.00 0.00 H new ATOM 746 N PHE A 47 -6.711 3.838 -9.237 1.00 0.00 N ATOM 747 CA PHE A 47 -7.676 2.955 -9.946 1.00 0.00 C ATOM 748 C PHE A 47 -7.680 1.577 -9.280 1.00 0.00 C ATOM 749 O PHE A 47 -6.897 1.307 -8.390 1.00 0.00 O ATOM 750 CB PHE A 47 -7.269 2.822 -11.414 1.00 0.00 C ATOM 751 CG PHE A 47 -7.957 3.894 -12.226 1.00 0.00 C ATOM 752 CD1 PHE A 47 -7.828 5.241 -11.862 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.724 3.542 -13.345 1.00 0.00 C ATOM 754 CE1 PHE A 47 -8.465 6.236 -12.615 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.363 4.537 -14.098 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.232 5.885 -13.733 1.00 0.00 C ATOM 0 H PHE A 47 -5.733 3.557 -9.301 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.676 3.387 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.187 2.914 -11.512 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.540 1.836 -11.790 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.237 5.512 -11.000 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.823 2.504 -13.627 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.365 7.274 -12.333 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.956 4.266 -14.959 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.722 6.652 -14.314 1.00 0.00 H new ATOM 766 N LYS A 48 -8.556 0.706 -9.694 1.00 0.00 N ATOM 767 CA LYS A 48 -8.608 -0.645 -9.072 1.00 0.00 C ATOM 768 C LYS A 48 -8.919 -1.692 -10.141 1.00 0.00 C ATOM 769 O LYS A 48 -9.448 -1.386 -11.191 1.00 0.00 O ATOM 770 CB LYS A 48 -9.701 -0.669 -8.002 1.00 0.00 C ATOM 771 CG LYS A 48 -9.118 -1.195 -6.688 1.00 0.00 C ATOM 772 CD LYS A 48 -10.204 -1.940 -5.910 1.00 0.00 C ATOM 773 CE LYS A 48 -9.781 -2.078 -4.446 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.677 -3.052 -3.761 1.00 0.00 N ATOM 0 H LYS A 48 -9.237 0.871 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.644 -0.871 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.105 0.333 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.527 -1.303 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.279 -1.861 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.732 -0.368 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.149 -1.401 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.368 -2.925 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.746 -2.414 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.831 -1.109 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.242 -3.353 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.594 -2.602 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.820 -3.881 -4.372 1.00 0.00 H new ATOM 788 N VAL A 49 -8.593 -2.927 -9.879 1.00 0.00 N ATOM 789 CA VAL A 49 -8.866 -4.002 -10.873 1.00 0.00 C ATOM 790 C VAL A 49 -9.356 -5.255 -10.144 1.00 0.00 C ATOM 791 O VAL A 49 -8.597 -5.935 -9.481 1.00 0.00 O ATOM 792 CB VAL A 49 -7.579 -4.328 -11.633 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.925 -5.049 -12.937 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.834 -3.030 -11.950 1.00 0.00 C ATOM 0 H VAL A 49 -8.148 -3.239 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.630 -3.666 -11.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.947 -4.971 -11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.008 -5.281 -13.479 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.457 -5.973 -12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.556 -4.407 -13.551 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.916 -3.260 -12.492 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.466 -2.388 -12.563 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.588 -2.516 -11.021 1.00 0.00 H new ATOM 804 N ARG A 50 -10.617 -5.565 -10.259 1.00 0.00 N ATOM 805 CA ARG A 50 -11.152 -6.774 -9.570 1.00 0.00 C ATOM 806 C ARG A 50 -11.241 -7.931 -10.566 1.00 0.00 C ATOM 807 O ARG A 50 -11.708 -7.773 -11.677 1.00 0.00 O ATOM 808 CB ARG A 50 -12.543 -6.471 -9.013 1.00 0.00 C ATOM 809 CG ARG A 50 -12.836 -7.402 -7.837 1.00 0.00 C ATOM 810 CD ARG A 50 -14.109 -8.202 -8.122 1.00 0.00 C ATOM 811 NE ARG A 50 -13.967 -9.577 -7.564 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.041 -9.768 -6.276 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.198 -9.703 -5.673 1.00 0.00 N ATOM 814 NH2 ARG A 50 -12.962 -10.025 -5.591 1.00 0.00 N ATOM 0 H ARG A 50 -11.300 -5.035 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.487 -7.050 -8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.598 -5.431 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.295 -6.603 -9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.997 -8.079 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.956 -6.822 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.971 -7.705 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.288 -8.251 -9.196 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.812 -10.368 -8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.042 -9.503 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.257 -9.852 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.059 -10.077 -6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.021 -10.174 -4.584 1.00 0.00 H new ATOM 828 N LEU A 51 -10.795 -9.096 -10.179 1.00 0.00 N ATOM 829 CA LEU A 51 -10.853 -10.260 -11.106 1.00 0.00 C ATOM 830 C LEU A 51 -12.095 -11.101 -10.798 1.00 0.00 C ATOM 831 O LEU A 51 -12.088 -11.930 -9.910 1.00 0.00 O ATOM 832 CB LEU A 51 -9.600 -11.118 -10.921 1.00 0.00 C ATOM 833 CG LEU A 51 -8.990 -11.435 -12.288 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.842 -10.464 -12.572 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.454 -12.868 -12.286 1.00 0.00 C ATOM 0 H LEU A 51 -10.394 -9.291 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.904 -9.902 -12.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.875 -10.592 -10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.853 -12.042 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.753 -11.332 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.407 -10.690 -13.546 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.221 -9.442 -12.572 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.079 -10.568 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.019 -13.095 -13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.691 -12.970 -11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.270 -13.561 -12.082 1.00 0.00 H new ATOM 847 N LEU A 52 -13.159 -10.897 -11.526 1.00 0.00 N ATOM 848 CA LEU A 52 -14.394 -11.691 -11.272 1.00 0.00 C ATOM 849 C LEU A 52 -14.246 -13.075 -11.907 1.00 0.00 C ATOM 850 O LEU A 52 -14.224 -13.216 -13.114 1.00 0.00 O ATOM 851 CB LEU A 52 -15.605 -10.976 -11.875 1.00 0.00 C ATOM 852 CG LEU A 52 -16.861 -11.358 -11.090 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.644 -10.095 -10.729 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.738 -12.274 -11.948 1.00 0.00 C ATOM 0 H LEU A 52 -13.226 -10.217 -12.283 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.541 -11.796 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.457 -9.897 -11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.720 -11.252 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.573 -11.879 -10.177 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.539 -10.369 -10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.020 -9.442 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.932 -9.572 -11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.634 -12.547 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.024 -11.752 -12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.181 -13.175 -12.204 1.00 0.00 H new ATOM 866 N GLY A 53 -14.136 -14.094 -11.101 1.00 0.00 N ATOM 867 CA GLY A 53 -13.982 -15.470 -11.651 1.00 0.00 C ATOM 868 C GLY A 53 -13.024 -16.258 -10.759 1.00 0.00 C ATOM 869 O GLY A 53 -13.190 -17.442 -10.541 1.00 0.00 O ATOM 0 H GLY A 53 -14.146 -14.033 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.950 -15.968 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.598 -15.427 -12.670 1.00 0.00 H new ATOM 873 N TYR A 54 -12.023 -15.606 -10.233 1.00 0.00 N ATOM 874 CA TYR A 54 -11.055 -16.308 -9.348 1.00 0.00 C ATOM 875 C TYR A 54 -11.603 -16.329 -7.921 1.00 0.00 C ATOM 876 O TYR A 54 -11.362 -17.248 -7.164 1.00 0.00 O ATOM 877 CB TYR A 54 -9.714 -15.570 -9.370 1.00 0.00 C ATOM 878 CG TYR A 54 -8.858 -16.109 -10.491 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.384 -16.211 -11.786 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.540 -16.510 -10.235 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.590 -16.712 -12.825 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.746 -17.012 -11.275 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.271 -17.113 -12.570 1.00 0.00 C ATOM 884 OH TYR A 54 -6.490 -17.607 -13.595 1.00 0.00 O ATOM 0 H TYR A 54 -11.835 -14.614 -10.380 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.910 -17.329 -9.700 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.878 -14.501 -9.506 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.203 -15.695 -8.416 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.401 -15.904 -11.982 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.136 -16.432 -9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.994 -16.790 -13.824 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.730 -17.321 -11.078 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.603 -17.837 -13.248 1.00 0.00 H new ATOM 894 N GLU A 55 -12.342 -15.320 -7.551 1.00 0.00 N ATOM 895 CA GLU A 55 -12.912 -15.276 -6.176 1.00 0.00 C ATOM 896 C GLU A 55 -11.796 -15.006 -5.167 1.00 0.00 C ATOM 897 O GLU A 55 -11.089 -15.904 -4.753 1.00 0.00 O ATOM 898 CB GLU A 55 -13.577 -16.616 -5.856 1.00 0.00 C ATOM 899 CG GLU A 55 -14.996 -16.369 -5.340 1.00 0.00 C ATOM 900 CD GLU A 55 -15.991 -17.183 -6.170 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.792 -18.380 -6.291 1.00 0.00 O ATOM 902 OE2 GLU A 55 -16.934 -16.594 -6.671 1.00 0.00 O ATOM 0 H GLU A 55 -12.576 -14.523 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.653 -14.479 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.606 -17.242 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.995 -17.154 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.066 -16.651 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.237 -15.308 -5.402 1.00 0.00 H new ATOM 909 N GLY A 56 -11.633 -13.776 -4.764 1.00 0.00 N ATOM 910 CA GLY A 56 -10.564 -13.449 -3.779 1.00 0.00 C ATOM 911 C GLY A 56 -9.410 -12.737 -4.490 1.00 0.00 C ATOM 912 O GLY A 56 -8.352 -12.540 -3.928 1.00 0.00 O ATOM 0 H GLY A 56 -12.194 -12.983 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.965 -12.814 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.204 -14.361 -3.302 1.00 0.00 H new ATOM 916 N HIS A 57 -9.607 -12.350 -5.720 1.00 0.00 N ATOM 917 CA HIS A 57 -8.519 -11.652 -6.463 1.00 0.00 C ATOM 918 C HIS A 57 -8.778 -10.144 -6.453 1.00 0.00 C ATOM 919 O HIS A 57 -9.409 -9.606 -7.342 1.00 0.00 O ATOM 920 CB HIS A 57 -8.483 -12.151 -7.909 1.00 0.00 C ATOM 921 CG HIS A 57 -7.086 -12.583 -8.256 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.580 -12.485 -9.543 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.075 -13.118 -7.496 1.00 0.00 C ATOM 924 CE1 HIS A 57 -5.318 -12.951 -9.520 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.959 -13.349 -8.296 1.00 0.00 N ATOM 0 H HIS A 57 -10.472 -12.486 -6.242 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.563 -11.861 -5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.174 -12.984 -8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.809 -11.361 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.136 -13.328 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.674 -12.998 -10.385 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.061 -13.738 -8.009 1.00 0.00 H new ATOM 933 N GLU A 58 -8.294 -9.456 -5.455 1.00 0.00 N ATOM 934 CA GLU A 58 -8.511 -7.983 -5.391 1.00 0.00 C ATOM 935 C GLU A 58 -7.237 -7.263 -5.836 1.00 0.00 C ATOM 936 O GLU A 58 -6.297 -7.110 -5.078 1.00 0.00 O ATOM 937 CB GLU A 58 -8.855 -7.576 -3.957 1.00 0.00 C ATOM 938 CG GLU A 58 -9.695 -6.297 -3.975 1.00 0.00 C ATOM 939 CD GLU A 58 -11.042 -6.560 -3.300 1.00 0.00 C ATOM 940 OE1 GLU A 58 -11.935 -7.047 -3.973 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.158 -6.269 -2.121 1.00 0.00 O ATOM 0 H GLU A 58 -7.758 -9.850 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.334 -7.708 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.404 -8.377 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.941 -7.415 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.167 -5.496 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.850 -5.966 -5.002 1.00 0.00 H new ATOM 948 N CYS A 59 -7.196 -6.818 -7.061 1.00 0.00 N ATOM 949 CA CYS A 59 -5.985 -6.110 -7.553 1.00 0.00 C ATOM 950 C CYS A 59 -6.249 -4.603 -7.557 1.00 0.00 C ATOM 951 O CYS A 59 -7.365 -4.158 -7.382 1.00 0.00 O ATOM 952 CB CYS A 59 -5.667 -6.576 -8.976 1.00 0.00 C ATOM 953 SG CYS A 59 -3.948 -6.174 -9.377 1.00 0.00 S ATOM 0 H CYS A 59 -7.950 -6.915 -7.742 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.140 -6.331 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.829 -7.650 -9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.339 -6.094 -9.686 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.460 -5.393 -8.459 1.00 0.00 H new ATOM 959 N ILE A 60 -5.230 -3.817 -7.760 1.00 0.00 N ATOM 960 CA ILE A 60 -5.413 -2.342 -7.783 1.00 0.00 C ATOM 961 C ILE A 60 -4.603 -1.769 -8.944 1.00 0.00 C ATOM 962 O ILE A 60 -3.505 -2.209 -9.216 1.00 0.00 O ATOM 963 CB ILE A 60 -4.918 -1.740 -6.465 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.753 -2.573 -5.927 1.00 0.00 C ATOM 965 CG2 ILE A 60 -6.055 -1.740 -5.444 1.00 0.00 C ATOM 966 CD1 ILE A 60 -3.089 -1.831 -4.767 1.00 0.00 C ATOM 0 H ILE A 60 -4.273 -4.136 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.468 -2.100 -7.908 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.584 -0.717 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.112 -3.546 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.027 -2.756 -6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.702 -1.311 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.886 -1.146 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.390 -2.763 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.259 -2.424 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.716 -0.868 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.818 -1.671 -3.973 1.00 0.00 H new ATOM 978 N LEU A 61 -5.125 -0.796 -9.636 1.00 0.00 N ATOM 979 CA LEU A 61 -4.364 -0.220 -10.778 1.00 0.00 C ATOM 980 C LEU A 61 -3.659 1.057 -10.331 1.00 0.00 C ATOM 981 O LEU A 61 -4.267 1.964 -9.787 1.00 0.00 O ATOM 982 CB LEU A 61 -5.316 0.098 -11.930 1.00 0.00 C ATOM 983 CG LEU A 61 -4.506 0.262 -13.216 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.815 -0.899 -14.164 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.881 1.584 -13.889 1.00 0.00 C ATOM 0 H LEU A 61 -6.039 -0.377 -9.462 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.623 -0.945 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.047 -0.702 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.873 1.011 -11.717 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.442 0.264 -12.979 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.238 -0.783 -15.081 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.549 -1.841 -13.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.879 -0.901 -14.402 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.304 1.702 -14.806 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.945 1.582 -14.127 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.662 2.411 -13.214 1.00 0.00 H new ATOM 997 N LEU A 62 -2.376 1.132 -10.555 1.00 0.00 N ATOM 998 CA LEU A 62 -1.617 2.345 -10.144 1.00 0.00 C ATOM 999 C LEU A 62 -0.278 2.384 -10.882 1.00 0.00 C ATOM 1000 O LEU A 62 0.199 3.434 -11.263 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.368 2.296 -8.634 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.526 3.697 -8.042 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -0.991 3.708 -6.609 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -0.737 4.701 -8.886 1.00 0.00 C ATOM 0 H LEU A 62 -1.821 0.405 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.191 3.238 -10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.070 1.609 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.366 1.916 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.581 3.973 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.103 4.706 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.551 2.994 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.063 3.432 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.850 5.699 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.318 4.425 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.116 4.694 -9.908 1.00 0.00 H new ATOM 1324 N VAL A 80 -14.821 3.418 -16.710 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.113 3.223 -15.413 1.00 0.00 C ATOM 1326 C VAL A 80 -13.879 1.731 -15.161 1.00 0.00 C ATOM 1327 O VAL A 80 -12.861 1.183 -15.532 1.00 0.00 O ATOM 1328 CB VAL A 80 -14.957 3.810 -14.279 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.429 3.316 -12.929 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.874 5.338 -14.324 1.00 0.00 C ATOM 0 HA VAL A 80 -13.149 3.731 -15.452 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.992 3.492 -14.400 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.034 3.737 -12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.484 2.228 -12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.393 3.631 -12.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.474 5.759 -13.517 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.836 5.650 -14.205 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.252 5.695 -15.282 1.00 0.00 H new ATOM 1340 N GLY A 81 -14.805 1.076 -14.515 1.00 0.00 N ATOM 1341 CA GLY A 81 -14.624 -0.372 -14.217 1.00 0.00 C ATOM 1342 C GLY A 81 -14.970 -1.234 -15.430 1.00 0.00 C ATOM 1343 O GLY A 81 -15.143 -2.431 -15.314 1.00 0.00 O ATOM 0 H GLY A 81 -15.679 1.482 -14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.592 -0.558 -13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.256 -0.654 -13.375 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.057 -0.655 -16.592 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.372 -1.474 -17.794 1.00 0.00 C ATOM 1349 C ARG A 82 -14.448 -2.692 -17.813 1.00 0.00 C ATOM 1350 O ARG A 82 -13.566 -2.825 -16.988 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.142 -0.636 -19.054 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.354 -0.757 -19.978 1.00 0.00 C ATOM 1353 CD ARG A 82 -15.943 -1.481 -21.262 1.00 0.00 C ATOM 1354 NE ARG A 82 -17.118 -1.586 -22.172 1.00 0.00 N ATOM 1355 CZ ARG A 82 -17.109 -2.445 -23.154 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -17.420 -3.692 -22.933 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -16.787 -2.055 -24.358 1.00 0.00 N ATOM 0 H ARG A 82 -14.925 0.342 -16.762 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.412 -1.798 -17.764 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.980 0.408 -18.784 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.244 -0.975 -19.570 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.153 -1.305 -19.478 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.745 0.232 -20.214 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.135 -0.940 -21.755 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.563 -2.475 -21.026 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.930 -0.986 -22.027 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.670 -3.996 -21.992 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.413 -4.363 -23.701 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.543 -1.080 -24.530 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.780 -2.726 -25.126 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.633 -3.578 -18.747 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.753 -4.779 -18.810 1.00 0.00 C ATOM 1373 C VAL A 83 -12.650 -4.522 -19.833 1.00 0.00 C ATOM 1374 O VAL A 83 -12.913 -4.222 -20.981 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.568 -6.003 -19.233 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -13.622 -7.176 -19.499 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.541 -6.380 -18.114 1.00 0.00 C ATOM 0 H VAL A 83 -15.352 -3.525 -19.468 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.318 -4.968 -17.828 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.128 -5.771 -20.139 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.201 -8.049 -19.800 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.926 -6.909 -20.295 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.064 -7.406 -18.591 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.122 -7.252 -18.415 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.981 -6.612 -17.208 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.214 -5.545 -17.921 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.414 -4.616 -19.425 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.301 -4.352 -20.380 1.00 0.00 C ATOM 1389 C ILE A 84 -9.152 -5.334 -20.134 1.00 0.00 C ATOM 1390 O ILE A 84 -9.172 -6.108 -19.199 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.805 -2.914 -20.187 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.893 -2.836 -18.954 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.005 -1.982 -19.988 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.698 -3.153 -17.692 1.00 0.00 C ATOM 0 H ILE A 84 -11.128 -4.863 -18.478 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.661 -4.483 -21.401 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.244 -2.609 -21.070 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.067 -3.540 -19.056 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.455 -1.841 -18.877 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.653 -0.960 -19.851 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.651 -2.029 -20.865 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.566 -2.294 -19.107 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.046 -3.096 -16.821 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.508 -2.432 -17.587 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.114 -4.157 -17.769 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.146 -5.297 -20.966 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.989 -6.217 -20.782 1.00 0.00 C ATOM 1408 C LYS A 85 -5.812 -5.432 -20.200 1.00 0.00 C ATOM 1409 O LYS A 85 -5.313 -4.505 -20.806 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.589 -6.810 -22.134 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.200 -5.680 -23.090 1.00 0.00 C ATOM 1412 CD LYS A 85 -4.706 -5.775 -23.410 1.00 0.00 C ATOM 1413 CE LYS A 85 -4.496 -5.601 -24.915 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.321 -6.601 -25.651 1.00 0.00 N ATOM 0 H LYS A 85 -8.076 -4.668 -21.766 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.265 -7.023 -20.102 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.754 -7.499 -22.008 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.416 -7.385 -22.550 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.785 -5.748 -24.008 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.426 -4.714 -22.639 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.157 -5.008 -22.864 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.314 -6.739 -23.086 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.774 -4.591 -25.217 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.442 -5.730 -25.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.778 -6.974 -26.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.573 -7.381 -25.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.188 -6.146 -26.000 1.00 0.00 H new ATOM 1428 N THR A 86 -5.367 -5.792 -19.028 1.00 0.00 N ATOM 1429 CA THR A 86 -4.226 -5.061 -18.410 1.00 0.00 C ATOM 1430 C THR A 86 -3.125 -6.054 -18.032 1.00 0.00 C ATOM 1431 O THR A 86 -3.287 -7.252 -18.163 1.00 0.00 O ATOM 1432 CB THR A 86 -4.710 -4.333 -17.153 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.110 -5.290 -16.179 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.894 -3.431 -17.512 1.00 0.00 C ATOM 0 H THR A 86 -5.744 -6.560 -18.472 1.00 0.00 H new ATOM 0 HA THR A 86 -3.831 -4.337 -19.122 1.00 0.00 H new ATOM 0 HB THR A 86 -3.903 -3.722 -16.748 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.737 -4.875 -15.551 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.240 -2.912 -16.618 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.582 -2.700 -18.258 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.704 -4.038 -17.916 1.00 0.00 H new ATOM 1442 N ARG A 87 -2.007 -5.567 -17.566 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.900 -6.486 -17.183 1.00 0.00 C ATOM 1444 C ARG A 87 -0.865 -6.636 -15.660 1.00 0.00 C ATOM 1445 O ARG A 87 -1.384 -5.812 -14.934 1.00 0.00 O ATOM 1446 CB ARG A 87 0.431 -5.912 -17.672 1.00 0.00 C ATOM 1447 CG ARG A 87 0.569 -6.154 -19.176 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.484 -5.335 -19.924 1.00 0.00 C ATOM 1449 NE ARG A 87 0.159 -4.613 -21.058 1.00 0.00 N ATOM 1450 CZ ARG A 87 0.056 -5.079 -22.272 1.00 0.00 C ATOM 1451 NH1 ARG A 87 0.633 -6.205 -22.590 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.627 -4.421 -23.168 1.00 0.00 N ATOM 0 H ARG A 87 -1.814 -4.574 -17.435 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.063 -7.462 -17.639 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.479 -4.844 -17.459 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.259 -6.381 -17.140 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.568 -5.873 -19.510 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.445 -7.214 -19.397 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.272 -5.990 -20.296 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.955 -4.623 -19.246 1.00 0.00 H new ATOM 0 HE ARG A 87 0.680 -3.754 -20.885 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.165 -6.721 -21.889 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.552 -6.569 -23.539 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.081 -3.542 -22.919 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.707 -4.786 -24.117 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.252 -7.678 -15.172 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.184 -7.878 -13.698 1.00 0.00 C ATOM 1468 C VAL A 88 1.160 -7.363 -13.187 1.00 0.00 C ATOM 1469 O VAL A 88 2.208 -7.781 -13.635 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.321 -9.368 -13.379 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.076 -9.620 -11.923 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.773 -9.800 -13.590 1.00 0.00 C ATOM 0 H VAL A 88 0.205 -8.399 -15.730 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.993 -7.332 -13.213 1.00 0.00 H new ATOM 0 HB VAL A 88 0.332 -9.941 -14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.022 -10.682 -11.698 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.110 -9.310 -11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.576 -9.047 -11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.873 -10.861 -13.363 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.423 -9.225 -12.931 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.059 -9.622 -14.627 1.00 0.00 H new ATOM 1482 N VAL A 89 1.133 -6.446 -12.260 1.00 0.00 N ATOM 1483 CA VAL A 89 2.407 -5.891 -11.731 1.00 0.00 C ATOM 1484 C VAL A 89 2.987 -6.829 -10.668 1.00 0.00 C ATOM 1485 O VAL A 89 4.187 -6.950 -10.525 1.00 0.00 O ATOM 1486 CB VAL A 89 2.144 -4.519 -11.108 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.408 -4.030 -10.400 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.759 -3.525 -12.206 1.00 0.00 C ATOM 0 H VAL A 89 0.285 -6.058 -11.847 1.00 0.00 H new ATOM 0 HA VAL A 89 3.121 -5.794 -12.549 1.00 0.00 H new ATOM 0 HB VAL A 89 1.330 -4.598 -10.387 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.221 -3.052 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.684 -4.737 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.222 -3.951 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.572 -2.547 -11.762 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.573 -3.446 -12.927 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.858 -3.873 -12.712 1.00 0.00 H new ATOM 1498 N ARG A 90 2.148 -7.491 -9.917 1.00 0.00 N ATOM 1499 CA ARG A 90 2.664 -8.412 -8.865 1.00 0.00 C ATOM 1500 C ARG A 90 1.493 -8.972 -8.052 1.00 0.00 C ATOM 1501 O ARG A 90 0.942 -8.306 -7.199 1.00 0.00 O ATOM 1502 CB ARG A 90 3.606 -7.642 -7.937 1.00 0.00 C ATOM 1503 CG ARG A 90 3.949 -8.500 -6.717 1.00 0.00 C ATOM 1504 CD ARG A 90 4.615 -7.626 -5.653 1.00 0.00 C ATOM 1505 NE ARG A 90 3.720 -6.480 -5.324 1.00 0.00 N ATOM 1506 CZ ARG A 90 4.189 -5.451 -4.673 1.00 0.00 C ATOM 1507 NH1 ARG A 90 5.041 -4.648 -5.250 1.00 0.00 N ATOM 1508 NH2 ARG A 90 3.807 -5.226 -3.446 1.00 0.00 N ATOM 0 H ARG A 90 1.132 -7.434 -9.986 1.00 0.00 H new ATOM 0 HA ARG A 90 3.203 -9.235 -9.335 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.517 -7.373 -8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.136 -6.711 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.045 -8.957 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.616 -9.312 -7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.816 -8.214 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.575 -7.260 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 90 2.741 -6.500 -5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.340 -4.825 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.408 -3.843 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.142 -5.854 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.174 -4.422 -2.937 1.00 0.00 H new ATOM 1522 N ALA A 91 1.112 -10.193 -8.310 1.00 0.00 N ATOM 1523 CA ALA A 91 -0.020 -10.799 -7.553 1.00 0.00 C ATOM 1524 C ALA A 91 0.528 -11.626 -6.388 1.00 0.00 C ATOM 1525 O ALA A 91 1.096 -12.683 -6.577 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.827 -11.705 -8.484 1.00 0.00 C ATOM 0 H ALA A 91 1.536 -10.798 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.662 -10.008 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.655 -12.149 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.218 -11.117 -9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.183 -12.495 -8.870 1.00 0.00 H new ATOM 1532 N ASP A 92 0.362 -11.152 -5.183 1.00 0.00 N ATOM 1533 CA ASP A 92 0.872 -11.912 -4.006 1.00 0.00 C ATOM 1534 C ASP A 92 -0.191 -12.909 -3.545 1.00 0.00 C ATOM 1535 O ASP A 92 0.038 -14.101 -3.497 1.00 0.00 O ATOM 1536 CB ASP A 92 1.184 -10.939 -2.868 1.00 0.00 C ATOM 1537 CG ASP A 92 2.610 -11.175 -2.368 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.898 -12.291 -1.967 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.389 -10.237 -2.394 1.00 0.00 O ATOM 0 H ASP A 92 -0.104 -10.272 -4.963 1.00 0.00 H new ATOM 0 HA ASP A 92 1.779 -12.449 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.075 -9.911 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.474 -11.078 -2.052 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.351 -12.426 -3.206 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.438 -13.337 -2.747 1.00 0.00 C ATOM 1546 C GLY A 93 -3.792 -12.659 -2.960 1.00 0.00 C ATOM 1547 O GLY A 93 -4.373 -12.733 -4.024 1.00 0.00 O ATOM 0 H GLY A 93 -1.596 -11.436 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.398 -14.276 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.303 -13.581 -1.693 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.299 -11.995 -1.958 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.613 -11.310 -2.109 1.00 0.00 C ATOM 1553 C LEU A 94 -5.388 -9.913 -2.689 1.00 0.00 C ATOM 1554 O LEU A 94 -6.228 -9.376 -3.384 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.293 -11.197 -0.743 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.540 -12.082 -0.722 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.157 -13.495 -0.280 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.561 -11.501 0.258 1.00 0.00 C ATOM 0 H LEU A 94 -3.861 -11.897 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.251 -11.885 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.604 -11.502 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.566 -10.160 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.975 -12.120 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.046 -14.125 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.430 -13.910 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.722 -13.458 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.450 -12.131 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.126 -11.463 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.835 -10.494 -0.057 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.259 -9.323 -2.412 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.976 -7.964 -2.953 1.00 0.00 C ATOM 1572 C TYR A 95 -2.968 -8.081 -4.097 1.00 0.00 C ATOM 1573 O TYR A 95 -1.950 -8.732 -3.975 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.391 -7.083 -1.848 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.226 -5.834 -1.708 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -4.202 -4.858 -2.714 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -5.027 -5.651 -0.574 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -4.979 -3.700 -2.586 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.805 -4.493 -0.444 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.780 -3.517 -1.451 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.547 -2.376 -1.324 1.00 0.00 O ATOM 0 H TYR A 95 -3.520 -9.723 -1.834 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.900 -7.516 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.372 -7.629 -0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.360 -6.820 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.584 -4.999 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.045 -6.403 0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.961 -2.949 -3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.423 -4.352 0.430 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.043 -2.408 -0.479 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.246 -7.464 -5.210 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.300 -7.553 -6.359 1.00 0.00 C ATOM 1593 C VAL A 96 -2.099 -6.169 -6.978 1.00 0.00 C ATOM 1594 O VAL A 96 -2.926 -5.292 -6.842 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.878 -8.500 -7.413 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.894 -8.631 -8.578 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.117 -9.875 -6.786 1.00 0.00 C ATOM 0 H VAL A 96 -4.083 -6.904 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.340 -7.930 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.823 -8.101 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.306 -9.306 -9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.726 -7.651 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.948 -9.030 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.529 -10.550 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.173 -10.275 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.820 -9.780 -5.958 1.00 0.00 H new ATOM 1607 N ASP A 97 -1.009 -5.975 -7.668 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.757 -4.655 -8.313 1.00 0.00 C ATOM 1609 C ASP A 97 -1.127 -4.764 -9.794 1.00 0.00 C ATOM 1610 O ASP A 97 -1.106 -5.836 -10.363 1.00 0.00 O ATOM 1611 CB ASP A 97 0.722 -4.288 -8.174 1.00 0.00 C ATOM 1612 CG ASP A 97 1.035 -3.967 -6.711 1.00 0.00 C ATOM 1613 OD1 ASP A 97 1.184 -4.900 -5.940 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.122 -2.794 -6.388 1.00 0.00 O ATOM 0 H ASP A 97 -0.281 -6.674 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.357 -3.881 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.346 -5.113 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.955 -3.429 -8.803 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.483 -3.676 -10.423 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.871 -3.757 -11.862 1.00 0.00 C ATOM 1621 C LEU A 98 -1.256 -2.605 -12.658 1.00 0.00 C ATOM 1622 O LEU A 98 -1.311 -1.452 -12.262 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.396 -3.687 -11.976 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.905 -4.777 -12.926 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.488 -4.445 -14.360 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.313 -6.130 -12.527 1.00 0.00 C ATOM 0 H LEU A 98 -1.522 -2.745 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.502 -4.698 -12.269 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.848 -3.812 -10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.696 -2.705 -12.343 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.992 -4.825 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.851 -5.221 -15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.914 -3.485 -14.650 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.401 -4.392 -14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.678 -6.901 -13.205 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.226 -6.082 -12.583 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.613 -6.372 -11.507 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.697 -2.920 -13.797 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.096 -1.874 -14.670 1.00 0.00 C ATOM 1640 C ARG A 99 -0.751 -1.971 -16.050 1.00 0.00 C ATOM 1641 O ARG A 99 -0.569 -2.937 -16.767 1.00 0.00 O ATOM 1642 CB ARG A 99 1.411 -2.114 -14.794 1.00 0.00 C ATOM 1643 CG ARG A 99 1.983 -1.228 -15.902 1.00 0.00 C ATOM 1644 CD ARG A 99 3.415 -1.667 -16.220 1.00 0.00 C ATOM 1645 NE ARG A 99 4.338 -1.145 -15.173 1.00 0.00 N ATOM 1646 CZ ARG A 99 5.619 -1.385 -15.253 1.00 0.00 C ATOM 1647 NH1 ARG A 99 6.095 -2.533 -14.853 1.00 0.00 N ATOM 1648 NH2 ARG A 99 6.426 -0.478 -15.735 1.00 0.00 N ATOM 0 H ARG A 99 -0.632 -3.870 -14.162 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.260 -0.884 -14.245 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.904 -1.893 -13.847 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.605 -3.163 -15.017 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.363 -1.299 -16.796 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.973 -0.184 -15.589 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.473 -2.755 -16.261 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.712 -1.294 -17.200 1.00 0.00 H new ATOM 0 HE ARG A 99 3.969 -0.600 -14.394 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.466 -3.243 -14.478 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.096 -2.720 -14.916 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.056 0.419 -16.049 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.426 -0.667 -15.797 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.529 -0.992 -16.423 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.208 -1.050 -17.749 1.00 0.00 C ATOM 1664 C ARG A 100 -1.393 -0.281 -18.789 1.00 0.00 C ATOM 1665 O ARG A 100 -0.531 0.510 -18.463 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.602 -0.427 -17.633 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.509 0.903 -16.884 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.652 1.818 -17.327 1.00 0.00 C ATOM 1669 NE ARG A 100 -4.440 2.223 -18.745 1.00 0.00 N ATOM 1670 CZ ARG A 100 -3.515 3.094 -19.043 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -3.628 4.330 -18.637 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -2.477 2.731 -19.746 1.00 0.00 N ATOM 0 H ARG A 100 -1.724 -0.158 -15.870 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.294 -2.091 -18.062 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.024 -0.268 -18.625 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.272 -1.106 -17.106 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.562 0.732 -15.809 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.549 1.379 -17.084 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.607 1.302 -17.223 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.695 2.700 -16.688 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.018 1.820 -19.483 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.439 4.614 -18.087 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.905 5.011 -18.870 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.388 1.766 -20.063 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.755 3.413 -19.978 1.00 0.00 H new