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 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.633 X(o=-0.63,f=-0.9) USER MOD Single : A 59 CYS SG : rot -30:sc= -1.66 USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00491 (180deg=-0.191) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.911 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.769 -10.685 -15.695 1.00 0.00 N ATOM 538 CA GLY A 33 4.678 -9.811 -16.898 1.00 0.00 C ATOM 539 C GLY A 33 3.673 -10.406 -17.888 1.00 0.00 C ATOM 540 O GLY A 33 3.949 -10.536 -19.064 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.368 -8.807 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.657 -9.719 -17.368 1.00 0.00 H new ATOM 544 N SER A 34 2.510 -10.772 -17.421 1.00 0.00 N ATOM 545 CA SER A 34 1.493 -11.359 -18.335 1.00 0.00 C ATOM 546 C SER A 34 0.289 -10.421 -18.432 1.00 0.00 C ATOM 547 O SER A 34 0.096 -9.553 -17.604 1.00 0.00 O ATOM 548 CB SER A 34 1.040 -12.716 -17.791 1.00 0.00 C ATOM 549 OG SER A 34 1.756 -13.749 -18.455 1.00 0.00 O ATOM 0 H SER A 34 2.222 -10.689 -16.446 1.00 0.00 H new ATOM 0 HA SER A 34 1.930 -11.491 -19.325 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.216 -12.768 -16.717 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.032 -12.843 -17.945 1.00 0.00 H new ATOM 0 HG SER A 34 1.470 -14.620 -18.108 1.00 0.00 H new ATOM 555 N VAL A 35 -0.523 -10.590 -19.440 1.00 0.00 N ATOM 556 CA VAL A 35 -1.714 -9.710 -19.594 1.00 0.00 C ATOM 557 C VAL A 35 -2.982 -10.514 -19.303 1.00 0.00 C ATOM 558 O VAL A 35 -3.000 -11.723 -19.420 1.00 0.00 O ATOM 559 CB VAL A 35 -1.763 -9.174 -21.026 1.00 0.00 C ATOM 560 CG1 VAL A 35 -2.538 -7.855 -21.054 1.00 0.00 C ATOM 561 CG2 VAL A 35 -0.337 -8.938 -21.528 1.00 0.00 C ATOM 0 H VAL A 35 -0.412 -11.300 -20.164 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.647 -8.876 -18.895 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.262 -9.900 -21.669 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.572 -7.475 -22.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.554 -8.022 -20.695 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.041 -7.127 -20.412 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.369 -8.556 -22.548 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.160 -8.212 -20.884 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.215 -9.877 -21.509 1.00 0.00 H new ATOM 571 N HIS A 36 -4.043 -9.855 -18.925 1.00 0.00 N ATOM 572 CA HIS A 36 -5.306 -10.589 -18.626 1.00 0.00 C ATOM 573 C HIS A 36 -6.485 -9.611 -18.641 1.00 0.00 C ATOM 574 O HIS A 36 -6.307 -8.410 -18.683 1.00 0.00 O ATOM 575 CB HIS A 36 -5.200 -11.239 -17.244 1.00 0.00 C ATOM 576 CG HIS A 36 -5.502 -12.710 -17.353 1.00 0.00 C ATOM 577 ND1 HIS A 36 -6.796 -13.193 -17.466 1.00 0.00 N ATOM 578 CD2 HIS A 36 -4.686 -13.814 -17.365 1.00 0.00 C ATOM 579 CE1 HIS A 36 -6.723 -14.535 -17.539 1.00 0.00 C ATOM 580 NE2 HIS A 36 -5.459 -14.966 -17.481 1.00 0.00 N ATOM 0 H HIS A 36 -4.090 -8.843 -18.810 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.466 -11.359 -19.381 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.199 -11.092 -16.838 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.897 -10.765 -16.553 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.608 -13.792 -17.295 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.581 -15.184 -17.633 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.131 -15.931 -17.515 1.00 0.00 H new ATOM 588 N GLU A 37 -7.687 -10.117 -18.605 1.00 0.00 N ATOM 589 CA GLU A 37 -8.877 -9.218 -18.614 1.00 0.00 C ATOM 590 C GLU A 37 -9.389 -9.046 -17.184 1.00 0.00 C ATOM 591 O GLU A 37 -9.180 -9.888 -16.334 1.00 0.00 O ATOM 592 CB GLU A 37 -9.978 -9.836 -19.480 1.00 0.00 C ATOM 593 CG GLU A 37 -10.375 -11.197 -18.907 1.00 0.00 C ATOM 594 CD GLU A 37 -11.872 -11.202 -18.591 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.642 -10.825 -19.460 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.223 -11.582 -17.487 1.00 0.00 O ATOM 0 H GLU A 37 -7.897 -11.114 -18.570 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.599 -8.247 -19.023 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.845 -9.176 -19.511 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.628 -9.950 -20.506 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.141 -11.986 -19.621 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.801 -11.404 -18.004 1.00 0.00 H new ATOM 603 N GLY A 38 -10.054 -7.958 -16.906 1.00 0.00 N ATOM 604 CA GLY A 38 -10.569 -7.735 -15.526 1.00 0.00 C ATOM 605 C GLY A 38 -11.537 -6.552 -15.525 1.00 0.00 C ATOM 606 O GLY A 38 -11.740 -5.903 -16.531 1.00 0.00 O ATOM 0 H GLY A 38 -10.262 -7.215 -17.574 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.074 -8.631 -15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.741 -7.541 -14.845 1.00 0.00 H new ATOM 610 N ILE A 39 -12.134 -6.264 -14.402 1.00 0.00 N ATOM 611 CA ILE A 39 -13.084 -5.118 -14.339 1.00 0.00 C ATOM 612 C ILE A 39 -12.344 -3.897 -13.795 1.00 0.00 C ATOM 613 O ILE A 39 -11.425 -4.021 -13.010 1.00 0.00 O ATOM 614 CB ILE A 39 -14.247 -5.470 -13.408 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.827 -6.827 -13.814 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.332 -4.399 -13.517 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.709 -7.366 -12.686 1.00 0.00 C ATOM 0 H ILE A 39 -12.006 -6.771 -13.527 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.475 -4.902 -15.333 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.889 -5.518 -12.380 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.411 -6.725 -14.729 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.021 -7.529 -14.027 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.160 -4.651 -12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.919 -3.432 -13.231 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.693 -4.350 -14.544 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.121 -8.332 -12.977 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.112 -7.483 -11.782 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.523 -6.667 -12.495 1.00 0.00 H new ATOM 629 N VAL A 40 -12.715 -2.718 -14.216 1.00 0.00 N ATOM 630 CA VAL A 40 -11.999 -1.506 -13.723 1.00 0.00 C ATOM 631 C VAL A 40 -12.783 -0.849 -12.582 1.00 0.00 C ATOM 632 O VAL A 40 -13.995 -0.873 -12.553 1.00 0.00 O ATOM 633 CB VAL A 40 -11.841 -0.509 -14.874 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.070 0.719 -14.385 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.068 -1.170 -16.018 1.00 0.00 C ATOM 0 H VAL A 40 -13.475 -2.542 -14.873 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.018 -1.801 -13.350 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.826 -0.204 -15.227 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.958 1.428 -15.205 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.617 1.191 -13.569 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.085 0.413 -14.032 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.955 -0.461 -16.838 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.083 -1.475 -15.663 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.615 -2.046 -16.368 1.00 0.00 H new ATOM 645 N TYR A 41 -12.092 -0.260 -11.644 1.00 0.00 N ATOM 646 CA TYR A 41 -12.786 0.406 -10.504 1.00 0.00 C ATOM 647 C TYR A 41 -12.069 1.718 -10.177 1.00 0.00 C ATOM 648 O TYR A 41 -10.880 1.852 -10.380 1.00 0.00 O ATOM 649 CB TYR A 41 -12.756 -0.511 -9.278 1.00 0.00 C ATOM 650 CG TYR A 41 -14.028 -0.333 -8.482 1.00 0.00 C ATOM 651 CD1 TYR A 41 -14.241 0.848 -7.760 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.994 -1.349 -8.466 1.00 0.00 C ATOM 653 CE1 TYR A 41 -15.421 1.014 -7.021 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.173 -1.182 -7.727 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.386 0.000 -7.005 1.00 0.00 C ATOM 656 OH TYR A 41 -17.548 0.163 -6.278 1.00 0.00 O ATOM 0 H TYR A 41 -11.074 -0.211 -11.618 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.822 0.610 -10.776 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.653 -1.550 -9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.891 -0.278 -8.657 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.497 1.630 -7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.830 -2.260 -9.023 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.585 1.925 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.917 -1.964 -7.714 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.110 -0.634 -6.376 1.00 0.00 H new ATOM 666 N PHE A 42 -12.780 2.691 -9.676 1.00 0.00 N ATOM 667 CA PHE A 42 -12.129 3.990 -9.344 1.00 0.00 C ATOM 668 C PHE A 42 -12.294 4.282 -7.852 1.00 0.00 C ATOM 669 O PHE A 42 -13.393 4.301 -7.332 1.00 0.00 O ATOM 670 CB PHE A 42 -12.783 5.110 -10.154 1.00 0.00 C ATOM 671 CG PHE A 42 -12.234 6.443 -9.707 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.029 6.919 -10.241 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.929 7.205 -8.758 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.518 8.156 -9.826 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.418 8.443 -8.343 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.213 8.917 -8.877 1.00 0.00 C ATOM 0 H PHE A 42 -13.780 2.643 -9.483 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.068 3.933 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.591 4.964 -11.217 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.864 5.087 -10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.494 6.332 -10.973 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.858 6.839 -8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.589 8.522 -10.237 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.953 9.031 -7.612 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.819 9.870 -8.557 1.00 0.00 H new ATOM 727 N ILE A 46 -7.003 6.412 -7.359 1.00 0.00 N ATOM 728 CA ILE A 46 -6.263 5.367 -8.122 1.00 0.00 C ATOM 729 C ILE A 46 -7.267 4.426 -8.788 1.00 0.00 C ATOM 730 O ILE A 46 -8.464 4.596 -8.670 1.00 0.00 O ATOM 731 CB ILE A 46 -5.373 4.572 -7.166 1.00 0.00 C ATOM 732 CG1 ILE A 46 -6.231 3.976 -6.048 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.318 5.500 -6.560 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.743 2.563 -5.726 1.00 0.00 C ATOM 0 HA ILE A 46 -5.643 5.839 -8.884 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.879 3.769 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.174 4.603 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.277 3.950 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.683 4.933 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.707 5.925 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.811 6.304 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.355 2.139 -4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.823 1.939 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.703 2.602 -5.403 1.00 0.00 H new ATOM 746 N PHE A 47 -6.791 3.434 -9.489 1.00 0.00 N ATOM 747 CA PHE A 47 -7.724 2.489 -10.160 1.00 0.00 C ATOM 748 C PHE A 47 -7.673 1.133 -9.454 1.00 0.00 C ATOM 749 O PHE A 47 -6.802 0.873 -8.648 1.00 0.00 O ATOM 750 CB PHE A 47 -7.310 2.318 -11.621 1.00 0.00 C ATOM 751 CG PHE A 47 -8.051 3.319 -12.476 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.433 3.190 -12.665 1.00 0.00 C ATOM 753 CD2 PHE A 47 -7.356 4.375 -13.080 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.121 4.119 -13.457 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.044 5.304 -13.873 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.427 5.175 -14.061 1.00 0.00 C ATOM 0 H PHE A 47 -5.799 3.238 -9.625 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.739 2.885 -10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.234 2.461 -11.724 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.530 1.304 -11.956 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.968 2.375 -12.201 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.290 4.473 -12.935 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.187 4.021 -13.602 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.509 6.118 -14.339 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.958 5.890 -14.672 1.00 0.00 H new ATOM 766 N LYS A 48 -8.600 0.267 -9.754 1.00 0.00 N ATOM 767 CA LYS A 48 -8.606 -1.071 -9.103 1.00 0.00 C ATOM 768 C LYS A 48 -9.055 -2.126 -10.113 1.00 0.00 C ATOM 769 O LYS A 48 -10.045 -1.961 -10.798 1.00 0.00 O ATOM 770 CB LYS A 48 -9.571 -1.056 -7.915 1.00 0.00 C ATOM 771 CG LYS A 48 -8.794 -1.316 -6.622 1.00 0.00 C ATOM 772 CD LYS A 48 -9.417 -0.512 -5.480 1.00 0.00 C ATOM 773 CE LYS A 48 -10.888 -0.904 -5.321 1.00 0.00 C ATOM 774 NZ LYS A 48 -11.118 -1.422 -3.941 1.00 0.00 N ATOM 0 H LYS A 48 -9.354 0.429 -10.422 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.602 -1.309 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.080 -0.094 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.341 -1.816 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.811 -2.379 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.749 -1.035 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.877 -0.701 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.334 0.555 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.528 -0.042 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.154 -1.664 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.117 -1.689 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.518 -2.256 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.879 -0.683 -3.249 1.00 0.00 H new ATOM 788 N VAL A 49 -8.338 -3.209 -10.211 1.00 0.00 N ATOM 789 CA VAL A 49 -8.727 -4.273 -11.177 1.00 0.00 C ATOM 790 C VAL A 49 -9.302 -5.466 -10.415 1.00 0.00 C ATOM 791 O VAL A 49 -8.623 -6.100 -9.632 1.00 0.00 O ATOM 792 CB VAL A 49 -7.495 -4.718 -11.968 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.930 -5.616 -13.128 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.775 -3.487 -12.520 1.00 0.00 C ATOM 0 H VAL A 49 -7.499 -3.404 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.479 -3.884 -11.864 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.822 -5.272 -11.313 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.053 -5.933 -13.692 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.446 -6.493 -12.736 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.602 -5.063 -13.784 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.897 -3.802 -13.084 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.449 -2.935 -13.175 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.466 -2.846 -11.695 1.00 0.00 H new ATOM 804 N ARG A 50 -10.550 -5.776 -10.636 1.00 0.00 N ATOM 805 CA ARG A 50 -11.167 -6.931 -9.922 1.00 0.00 C ATOM 806 C ARG A 50 -11.158 -8.155 -10.838 1.00 0.00 C ATOM 807 O ARG A 50 -11.610 -8.101 -11.965 1.00 0.00 O ATOM 808 CB ARG A 50 -12.611 -6.586 -9.551 1.00 0.00 C ATOM 809 CG ARG A 50 -12.627 -5.763 -8.261 1.00 0.00 C ATOM 810 CD ARG A 50 -12.968 -4.309 -8.590 1.00 0.00 C ATOM 811 NE ARG A 50 -13.502 -3.637 -7.372 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.391 -4.239 -6.631 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.363 -4.906 -7.189 1.00 0.00 N ATOM 814 NH2 ARG A 50 -14.309 -4.173 -5.330 1.00 0.00 N ATOM 0 H ARG A 50 -11.169 -5.281 -11.279 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.599 -7.147 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.080 -6.024 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.191 -7.499 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.360 -6.171 -7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.656 -5.818 -7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.080 -3.787 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.704 -4.269 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.172 -2.706 -7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.429 -4.957 -8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.058 -5.376 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.550 -3.651 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.004 -4.644 -4.751 1.00 0.00 H new ATOM 828 N LEU A 51 -10.644 -9.262 -10.370 1.00 0.00 N ATOM 829 CA LEU A 51 -10.611 -10.480 -11.226 1.00 0.00 C ATOM 830 C LEU A 51 -11.818 -11.363 -10.907 1.00 0.00 C ATOM 831 O LEU A 51 -11.690 -12.423 -10.329 1.00 0.00 O ATOM 832 CB LEU A 51 -9.323 -11.261 -10.958 1.00 0.00 C ATOM 833 CG LEU A 51 -8.385 -11.127 -12.159 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.126 -11.531 -13.434 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.921 -9.674 -12.281 1.00 0.00 C ATOM 0 H LEU A 51 -10.248 -9.374 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.644 -10.185 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.836 -10.883 -10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.553 -12.311 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.521 -11.777 -12.019 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.457 -11.435 -14.289 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.460 -12.565 -13.349 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.990 -10.881 -13.574 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.252 -9.576 -13.136 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.786 -9.026 -12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.393 -9.383 -11.373 1.00 0.00 H new ATOM 847 N LEU A 52 -12.992 -10.934 -11.281 1.00 0.00 N ATOM 848 CA LEU A 52 -14.206 -11.750 -11.002 1.00 0.00 C ATOM 849 C LEU A 52 -14.051 -13.126 -11.651 1.00 0.00 C ATOM 850 O LEU A 52 -13.564 -13.251 -12.758 1.00 0.00 O ATOM 851 CB LEU A 52 -15.437 -11.047 -11.576 1.00 0.00 C ATOM 852 CG LEU A 52 -16.459 -10.814 -10.461 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.784 -12.145 -9.779 1.00 0.00 C ATOM 854 CD2 LEU A 52 -15.877 -9.844 -9.429 1.00 0.00 C ATOM 0 H LEU A 52 -13.163 -10.054 -11.768 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.328 -11.868 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.150 -10.096 -12.025 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.878 -11.652 -12.368 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.369 -10.391 -10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.512 -11.979 -8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.198 -12.838 -10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.874 -12.568 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.605 -9.678 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.967 -10.268 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.644 -8.895 -9.912 1.00 0.00 H new ATOM 866 N GLY A 53 -14.456 -14.162 -10.969 1.00 0.00 N ATOM 867 CA GLY A 53 -14.325 -15.530 -11.545 1.00 0.00 C ATOM 868 C GLY A 53 -13.357 -16.346 -10.690 1.00 0.00 C ATOM 869 O GLY A 53 -13.321 -17.560 -10.756 1.00 0.00 O ATOM 0 H GLY A 53 -14.872 -14.120 -10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.299 -16.018 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.962 -15.472 -12.571 1.00 0.00 H new ATOM 873 N TYR A 54 -12.569 -15.687 -9.883 1.00 0.00 N ATOM 874 CA TYR A 54 -11.603 -16.419 -9.018 1.00 0.00 C ATOM 875 C TYR A 54 -12.050 -16.311 -7.558 1.00 0.00 C ATOM 876 O TYR A 54 -11.808 -17.193 -6.757 1.00 0.00 O ATOM 877 CB TYR A 54 -10.210 -15.803 -9.174 1.00 0.00 C ATOM 878 CG TYR A 54 -9.254 -16.847 -9.698 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.132 -17.056 -11.078 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.489 -17.608 -8.804 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.243 -18.025 -11.564 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.601 -18.577 -9.291 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.479 -18.786 -10.670 1.00 0.00 C ATOM 884 OH TYR A 54 -6.605 -19.740 -11.149 1.00 0.00 O ATOM 0 H TYR A 54 -12.554 -14.672 -9.786 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.569 -17.468 -9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.250 -14.955 -9.858 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.859 -15.422 -8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.723 -16.471 -11.767 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.584 -17.448 -7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.147 -18.185 -12.628 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.011 -19.163 -8.602 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.153 -20.176 -10.397 1.00 0.00 H new ATOM 894 N GLU A 55 -12.703 -15.237 -7.208 1.00 0.00 N ATOM 895 CA GLU A 55 -13.171 -15.070 -5.803 1.00 0.00 C ATOM 896 C GLU A 55 -11.965 -14.941 -4.872 1.00 0.00 C ATOM 897 O GLU A 55 -11.452 -15.919 -4.366 1.00 0.00 O ATOM 898 CB GLU A 55 -14.003 -16.288 -5.393 1.00 0.00 C ATOM 899 CG GLU A 55 -15.041 -16.585 -6.479 1.00 0.00 C ATOM 900 CD GLU A 55 -16.452 -16.480 -5.894 1.00 0.00 C ATOM 901 OE1 GLU A 55 -16.565 -16.244 -4.702 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.398 -16.638 -6.649 1.00 0.00 O ATOM 0 H GLU A 55 -12.933 -14.467 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.782 -14.170 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.355 -17.152 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.500 -16.099 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.927 -15.883 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.880 -17.584 -6.885 1.00 0.00 H new ATOM 909 N GLY A 56 -11.509 -13.740 -4.638 1.00 0.00 N ATOM 910 CA GLY A 56 -10.338 -13.551 -3.737 1.00 0.00 C ATOM 911 C GLY A 56 -9.206 -12.862 -4.503 1.00 0.00 C ATOM 912 O GLY A 56 -8.229 -12.429 -3.926 1.00 0.00 O ATOM 0 H GLY A 56 -11.897 -12.883 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.624 -12.951 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.999 -14.515 -3.357 1.00 0.00 H new ATOM 916 N HIS A 57 -9.329 -12.759 -5.799 1.00 0.00 N ATOM 917 CA HIS A 57 -8.256 -12.098 -6.594 1.00 0.00 C ATOM 918 C HIS A 57 -8.580 -10.610 -6.750 1.00 0.00 C ATOM 919 O HIS A 57 -9.200 -10.194 -7.711 1.00 0.00 O ATOM 920 CB HIS A 57 -8.163 -12.751 -7.974 1.00 0.00 C ATOM 921 CG HIS A 57 -6.717 -12.913 -8.352 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.327 -13.430 -9.577 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.555 -12.629 -7.678 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.982 -13.441 -9.603 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.461 -12.962 -8.470 1.00 0.00 N ATOM 0 H HIS A 57 -10.123 -13.103 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.302 -12.209 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.659 -13.722 -7.964 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.678 -12.138 -8.714 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.947 -13.745 -10.323 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.499 -12.211 -6.684 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.395 -13.794 -10.438 1.00 0.00 H new ATOM 933 N GLU A 58 -8.160 -9.805 -5.811 1.00 0.00 N ATOM 934 CA GLU A 58 -8.436 -8.344 -5.900 1.00 0.00 C ATOM 935 C GLU A 58 -7.139 -7.605 -6.227 1.00 0.00 C ATOM 936 O GLU A 58 -6.257 -7.481 -5.400 1.00 0.00 O ATOM 937 CB GLU A 58 -8.982 -7.846 -4.561 1.00 0.00 C ATOM 938 CG GLU A 58 -10.025 -6.755 -4.807 1.00 0.00 C ATOM 939 CD GLU A 58 -10.501 -6.193 -3.465 1.00 0.00 C ATOM 940 OE1 GLU A 58 -9.703 -6.162 -2.543 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.654 -5.803 -3.384 1.00 0.00 O ATOM 0 H GLU A 58 -7.637 -10.098 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.171 -8.158 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.429 -8.673 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.170 -7.455 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.597 -5.959 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.869 -7.163 -5.363 1.00 0.00 H new ATOM 948 N CYS A 59 -7.014 -7.112 -7.428 1.00 0.00 N ATOM 949 CA CYS A 59 -5.771 -6.383 -7.804 1.00 0.00 C ATOM 950 C CYS A 59 -6.054 -4.882 -7.827 1.00 0.00 C ATOM 951 O CYS A 59 -7.191 -4.453 -7.829 1.00 0.00 O ATOM 952 CB CYS A 59 -5.305 -6.832 -9.191 1.00 0.00 C ATOM 953 SG CYS A 59 -5.649 -8.597 -9.410 1.00 0.00 S ATOM 0 H CYS A 59 -7.717 -7.182 -8.164 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.991 -6.601 -7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.815 -6.254 -9.961 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.238 -6.643 -9.305 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.593 -9.196 -8.258 1.00 0.00 H new ATOM 959 N ILE A 60 -5.027 -4.080 -7.848 1.00 0.00 N ATOM 960 CA ILE A 60 -5.231 -2.606 -7.878 1.00 0.00 C ATOM 961 C ILE A 60 -4.399 -2.014 -9.012 1.00 0.00 C ATOM 962 O ILE A 60 -3.243 -2.342 -9.178 1.00 0.00 O ATOM 963 CB ILE A 60 -4.783 -1.999 -6.547 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.592 -2.790 -6.000 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.935 -2.058 -5.543 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.831 -1.931 -4.989 1.00 0.00 C ATOM 0 H ILE A 60 -4.053 -4.383 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.286 -2.383 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.491 -0.961 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.939 -3.708 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.931 -3.083 -6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.614 -1.625 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.784 -1.495 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.229 -3.096 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.983 -2.494 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.472 -1.026 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.495 -1.661 -4.168 1.00 0.00 H new ATOM 978 N LEU A 61 -4.969 -1.143 -9.797 1.00 0.00 N ATOM 979 CA LEU A 61 -4.190 -0.546 -10.914 1.00 0.00 C ATOM 980 C LEU A 61 -3.660 0.817 -10.483 1.00 0.00 C ATOM 981 O LEU A 61 -4.410 1.711 -10.144 1.00 0.00 O ATOM 982 CB LEU A 61 -5.085 -0.377 -12.141 1.00 0.00 C ATOM 983 CG LEU A 61 -4.268 0.247 -13.274 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.185 -0.734 -14.444 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.946 1.539 -13.738 1.00 0.00 C ATOM 0 H LEU A 61 -5.933 -0.821 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.358 -1.204 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.483 -1.343 -12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.938 0.257 -11.900 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.263 0.471 -12.917 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.603 -0.289 -15.251 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.703 -1.654 -14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.190 -0.959 -14.802 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.365 1.985 -14.545 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.951 1.314 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.005 2.239 -12.904 1.00 0.00 H new ATOM 997 N LEU A 62 -2.367 0.984 -10.494 1.00 0.00 N ATOM 998 CA LEU A 62 -1.787 2.293 -10.082 1.00 0.00 C ATOM 999 C LEU A 62 -0.411 2.472 -10.725 1.00 0.00 C ATOM 1000 O LEU A 62 -0.027 3.564 -11.092 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.657 2.340 -8.558 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.801 1.168 -8.079 1.00 0.00 C ATOM 1003 CD1 LEU A 62 0.640 1.638 -7.881 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -1.352 0.646 -6.749 1.00 0.00 C ATOM 0 H LEU A 62 -1.689 0.274 -10.769 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.443 3.099 -10.411 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.205 3.283 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.644 2.295 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.826 0.371 -8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.251 0.803 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.033 2.013 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.664 2.434 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.743 -0.190 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.326 1.443 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.381 0.313 -6.887 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.742 3.693 -16.634 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.151 2.890 -15.525 1.00 0.00 C ATOM 1326 C VAL A 80 -15.972 1.615 -15.318 1.00 0.00 C ATOM 1327 O VAL A 80 -17.096 1.512 -15.766 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.167 3.716 -14.241 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.334 3.012 -13.168 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.576 5.100 -14.518 1.00 0.00 C ATOM 0 HA VAL A 80 -14.125 2.622 -15.778 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.194 3.821 -13.891 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.346 3.603 -12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.754 2.026 -12.970 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.307 2.905 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.587 5.690 -13.602 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.549 4.994 -14.869 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.170 5.603 -15.281 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.420 0.645 -14.643 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.171 -0.620 -14.410 1.00 0.00 C ATOM 1342 C GLY A 81 -15.976 -1.558 -15.602 1.00 0.00 C ATOM 1343 O GLY A 81 -15.693 -2.728 -15.439 1.00 0.00 O ATOM 0 H GLY A 81 -14.482 0.674 -14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.821 -1.099 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.231 -0.406 -14.272 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.132 -1.047 -16.796 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.971 -1.890 -18.020 1.00 0.00 C ATOM 1349 C ARG A 82 -14.822 -2.885 -17.841 1.00 0.00 C ATOM 1350 O ARG A 82 -13.994 -2.752 -16.963 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.671 -0.987 -19.218 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.895 -0.127 -19.534 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.904 -0.950 -20.335 1.00 0.00 C ATOM 1354 NE ARG A 82 -19.183 -0.194 -20.452 1.00 0.00 N ATOM 1355 CZ ARG A 82 -20.309 -0.836 -20.600 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -20.581 -1.861 -19.841 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -21.163 -0.454 -21.509 1.00 0.00 N ATOM 0 H ARG A 82 -16.367 -0.071 -16.978 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.894 -2.445 -18.188 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.814 -0.350 -19.000 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.406 -1.592 -20.085 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.351 0.228 -18.610 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.597 0.754 -20.101 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.506 -1.168 -21.326 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.079 -1.908 -19.844 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.178 0.825 -20.416 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.913 -2.161 -19.131 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.462 -2.362 -19.957 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.950 0.347 -22.104 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.043 -0.956 -21.625 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.760 -3.878 -18.687 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.666 -4.881 -18.580 1.00 0.00 C ATOM 1373 C VAL A 83 -12.554 -4.504 -19.554 1.00 0.00 C ATOM 1374 O VAL A 83 -12.796 -4.221 -20.711 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.206 -6.269 -18.932 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.069 -6.788 -17.782 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.052 -6.179 -20.204 1.00 0.00 C ATOM 0 H VAL A 83 -15.421 -4.036 -19.447 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.277 -4.896 -17.562 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.372 -6.952 -19.097 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.453 -7.777 -18.033 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.467 -6.852 -16.876 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -15.903 -6.106 -17.616 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.437 -7.167 -20.456 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.885 -5.496 -20.039 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.437 -5.810 -21.025 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.338 -4.479 -19.091 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.209 -4.099 -19.980 1.00 0.00 C ATOM 1389 C ILE A 84 -9.039 -5.061 -19.769 1.00 0.00 C ATOM 1390 O ILE A 84 -9.068 -5.910 -18.901 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.768 -2.678 -19.630 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.663 -2.547 -18.109 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.803 -1.679 -20.151 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -8.392 -3.242 -17.619 1.00 0.00 C ATOM 0 H ILE A 84 -11.077 -4.706 -18.132 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.526 -4.148 -21.022 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.801 -2.472 -20.088 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.646 -1.495 -17.825 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.538 -2.991 -17.635 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.488 -0.666 -19.901 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.890 -1.776 -21.233 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.770 -1.883 -19.690 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.320 -3.147 -16.536 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.427 -4.297 -17.889 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.522 -2.778 -18.083 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.005 -4.928 -20.555 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.828 -5.828 -20.396 1.00 0.00 C ATOM 1408 C LYS A 85 -5.680 -5.041 -19.761 1.00 0.00 C ATOM 1409 O LYS A 85 -5.500 -3.868 -20.022 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.388 -6.363 -21.763 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.743 -5.353 -22.857 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.101 -5.785 -24.178 1.00 0.00 C ATOM 1413 CE LYS A 85 -7.169 -6.381 -25.098 1.00 0.00 C ATOM 1414 NZ LYS A 85 -7.648 -7.674 -24.531 1.00 0.00 N ATOM 0 H LYS A 85 -7.925 -4.236 -21.300 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.099 -6.669 -19.758 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.314 -6.549 -21.762 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.876 -7.317 -21.964 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.825 -5.289 -22.970 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.392 -4.360 -22.577 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.627 -4.930 -24.660 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.318 -6.519 -23.990 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.003 -5.687 -25.203 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.758 -6.539 -26.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.257 -8.153 -25.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.832 -8.280 -24.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.189 -7.493 -23.662 1.00 0.00 H new ATOM 1428 N THR A 86 -4.905 -5.675 -18.925 1.00 0.00 N ATOM 1429 CA THR A 86 -3.775 -4.958 -18.271 1.00 0.00 C ATOM 1430 C THR A 86 -2.666 -5.955 -17.929 1.00 0.00 C ATOM 1431 O THR A 86 -2.826 -7.151 -18.083 1.00 0.00 O ATOM 1432 CB THR A 86 -4.276 -4.291 -16.988 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.667 -4.026 -17.108 1.00 0.00 O ATOM 1434 CG2 THR A 86 -3.524 -2.980 -16.764 1.00 0.00 C ATOM 0 H THR A 86 -5.005 -6.657 -18.667 1.00 0.00 H new ATOM 0 HA THR A 86 -3.382 -4.200 -18.948 1.00 0.00 H new ATOM 0 HB THR A 86 -4.102 -4.955 -16.141 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.991 -3.600 -16.287 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.882 -2.507 -15.850 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.457 -3.184 -16.673 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.695 -2.313 -17.609 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.543 -5.476 -17.464 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.429 -6.399 -17.114 1.00 0.00 C ATOM 1444 C ARG A 87 -0.413 -6.624 -15.601 1.00 0.00 C ATOM 1445 O ARG A 87 -0.893 -5.809 -14.836 1.00 0.00 O ATOM 1446 CB ARG A 87 0.903 -5.784 -17.551 1.00 0.00 C ATOM 1447 CG ARG A 87 1.135 -6.072 -19.036 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.034 -5.519 -19.854 1.00 0.00 C ATOM 1449 NE ARG A 87 0.414 -5.264 -21.251 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.445 -4.870 -22.150 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.554 -4.287 -21.784 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.196 -5.060 -23.418 1.00 0.00 N ATOM 0 H ARG A 87 -1.351 -4.486 -17.312 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.573 -7.351 -17.624 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.894 -4.708 -17.375 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.719 -6.197 -16.958 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.069 -5.616 -19.364 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.230 -7.146 -19.198 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.862 -6.228 -19.850 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.402 -4.597 -19.405 1.00 0.00 H new ATOM 0 HE ARG A 87 1.393 -5.397 -21.505 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.750 -4.139 -20.794 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.225 -3.979 -22.488 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.670 -5.516 -23.705 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.867 -4.752 -24.121 1.00 0.00 H new ATOM 1466 N VAL A 88 0.141 -7.721 -15.163 1.00 0.00 N ATOM 1467 CA VAL A 88 0.187 -7.997 -13.701 1.00 0.00 C ATOM 1468 C VAL A 88 1.547 -7.568 -13.157 1.00 0.00 C ATOM 1469 O VAL A 88 2.577 -8.055 -13.578 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.010 -9.494 -13.457 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.298 -9.738 -11.975 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.188 -9.998 -14.295 1.00 0.00 C ATOM 0 H VAL A 88 0.563 -8.437 -15.754 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.604 -7.443 -13.196 1.00 0.00 H new ATOM 0 HB VAL A 88 0.895 -10.029 -13.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.438 -10.805 -11.802 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.541 -9.381 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.202 -9.202 -11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.328 -11.065 -14.121 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.093 -9.462 -14.010 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.982 -9.827 -15.352 1.00 0.00 H new ATOM 1482 N VAL A 89 1.559 -6.650 -12.232 1.00 0.00 N ATOM 1483 CA VAL A 89 2.853 -6.180 -11.675 1.00 0.00 C ATOM 1484 C VAL A 89 3.394 -7.205 -10.677 1.00 0.00 C ATOM 1485 O VAL A 89 4.589 -7.358 -10.520 1.00 0.00 O ATOM 1486 CB VAL A 89 2.652 -4.840 -10.972 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.983 -4.368 -10.384 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.148 -3.810 -11.982 1.00 0.00 C ATOM 0 H VAL A 89 0.729 -6.206 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 89 3.569 -6.060 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 89 1.922 -4.954 -10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.840 -3.411 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.345 -5.104 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.714 -4.252 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.003 -2.852 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.880 -3.696 -12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.201 -4.147 -12.403 1.00 0.00 H new ATOM 1498 N ARG A 90 2.526 -7.907 -9.998 1.00 0.00 N ATOM 1499 CA ARG A 90 2.998 -8.916 -9.010 1.00 0.00 C ATOM 1500 C ARG A 90 1.808 -9.416 -8.188 1.00 0.00 C ATOM 1501 O ARG A 90 1.288 -8.718 -7.339 1.00 0.00 O ATOM 1502 CB ARG A 90 4.031 -8.279 -8.078 1.00 0.00 C ATOM 1503 CG ARG A 90 4.275 -9.198 -6.879 1.00 0.00 C ATOM 1504 CD ARG A 90 5.637 -8.881 -6.260 1.00 0.00 C ATOM 1505 NE ARG A 90 6.605 -9.960 -6.605 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.309 -10.532 -5.666 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.754 -9.825 -4.663 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.570 -11.808 -5.732 1.00 0.00 N ATOM 0 H ARG A 90 1.513 -7.824 -10.086 1.00 0.00 H new ATOM 0 HA ARG A 90 3.456 -9.753 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.964 -8.109 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.677 -7.306 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.487 -9.063 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.241 -10.241 -7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.000 -7.921 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.545 -8.794 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 90 6.718 -10.252 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.552 -8.827 -4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.304 -10.271 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.224 -12.359 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.120 -12.255 -4.998 1.00 0.00 H new ATOM 1522 N ALA A 91 1.377 -10.622 -8.434 1.00 0.00 N ATOM 1523 CA ALA A 91 0.227 -11.175 -7.666 1.00 0.00 C ATOM 1524 C ALA A 91 0.749 -11.849 -6.395 1.00 0.00 C ATOM 1525 O ALA A 91 1.703 -12.600 -6.428 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.512 -12.204 -8.522 1.00 0.00 C ATOM 0 H ALA A 91 1.772 -11.249 -9.135 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.457 -10.369 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.353 -12.608 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.879 -11.726 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.169 -13.013 -8.788 1.00 0.00 H new ATOM 1532 N ASP A 92 0.133 -11.585 -5.274 1.00 0.00 N ATOM 1533 CA ASP A 92 0.601 -12.210 -4.006 1.00 0.00 C ATOM 1534 C ASP A 92 -0.458 -12.018 -2.918 1.00 0.00 C ATOM 1535 O ASP A 92 -0.426 -11.060 -2.172 1.00 0.00 O ATOM 1536 CB ASP A 92 1.910 -11.552 -3.566 1.00 0.00 C ATOM 1537 CG ASP A 92 2.940 -12.633 -3.235 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.074 -13.555 -4.021 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.578 -12.518 -2.201 1.00 0.00 O ATOM 0 H ASP A 92 -0.672 -10.965 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 92 0.765 -13.275 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.288 -10.905 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.737 -10.921 -2.694 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.393 -12.923 -2.819 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.449 -12.793 -1.775 1.00 0.00 C ATOM 1546 C GLY A 93 -3.697 -12.150 -2.383 1.00 0.00 C ATOM 1547 O GLY A 93 -3.750 -11.862 -3.562 1.00 0.00 O ATOM 0 H GLY A 93 -1.471 -13.747 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.695 -13.774 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.083 -12.187 -0.946 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.705 -11.926 -1.585 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.953 -11.305 -2.113 1.00 0.00 C ATOM 1553 C LEU A 94 -5.631 -9.939 -2.720 1.00 0.00 C ATOM 1554 O LEU A 94 -6.416 -9.378 -3.458 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.956 -11.129 -0.971 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.625 -12.470 -0.667 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.949 -13.114 0.543 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -9.106 -12.239 -0.361 1.00 0.00 C ATOM 0 H LEU A 94 -4.718 -12.146 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.381 -11.950 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.449 -10.754 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.708 -10.389 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.529 -13.130 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.426 -14.070 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.893 -13.276 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.046 -12.456 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.586 -13.193 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.201 -11.580 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.588 -11.778 -1.223 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.485 -9.396 -2.413 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.124 -8.063 -2.973 1.00 0.00 C ATOM 1572 C TYR A 95 -3.022 -8.227 -4.022 1.00 0.00 C ATOM 1573 O TYR A 95 -1.999 -8.831 -3.774 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.622 -7.156 -1.848 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.678 -6.128 -1.524 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.746 -6.464 -0.682 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.590 -4.839 -2.065 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.727 -5.510 -0.381 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.572 -3.885 -1.766 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.640 -4.221 -0.923 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.606 -3.281 -0.627 1.00 0.00 O ATOM 0 H TYR A 95 -3.785 -9.816 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.003 -7.617 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.393 -7.749 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.698 -6.662 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.813 -7.458 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.765 -4.580 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.550 -5.768 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.506 -2.892 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.395 -2.440 -1.083 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.225 -7.688 -5.193 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.189 -7.809 -6.258 1.00 0.00 C ATOM 1593 C VAL A 96 -1.898 -6.425 -6.842 1.00 0.00 C ATOM 1594 O VAL A 96 -2.698 -5.518 -6.739 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.704 -8.727 -7.369 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.762 -8.651 -8.572 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.762 -10.168 -6.857 1.00 0.00 C ATOM 0 H VAL A 96 -4.062 -7.170 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.277 -8.227 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.702 -8.408 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.129 -9.305 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.722 -7.625 -8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.763 -8.969 -8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.129 -10.821 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.764 -10.488 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.434 -10.223 -6.001 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.761 -6.256 -7.463 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.433 -4.929 -8.060 1.00 0.00 C ATOM 1609 C ASP A 97 -0.748 -4.972 -9.558 1.00 0.00 C ATOM 1610 O ASP A 97 -0.644 -6.005 -10.188 1.00 0.00 O ATOM 1611 CB ASP A 97 1.051 -4.623 -7.850 1.00 0.00 C ATOM 1612 CG ASP A 97 1.356 -3.214 -8.358 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.484 -2.366 -8.256 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.456 -3.003 -8.841 1.00 0.00 O ATOM 0 H ASP A 97 -0.048 -6.976 -7.582 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.025 -4.149 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.304 -4.703 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.663 -5.353 -8.380 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.153 -3.871 -10.132 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.496 -3.883 -11.583 1.00 0.00 C ATOM 1621 C LEU A 98 -0.850 -2.703 -12.311 1.00 0.00 C ATOM 1622 O LEU A 98 -0.881 -1.573 -11.853 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.015 -3.792 -11.738 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.508 -4.894 -12.677 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.050 -4.589 -14.104 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -2.933 -6.241 -12.234 1.00 0.00 C ATOM 0 H LEU A 98 -1.261 -2.971 -9.664 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.120 -4.808 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.495 -3.890 -10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.291 -2.814 -12.133 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.597 -4.937 -12.645 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.401 -5.374 -14.774 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.461 -3.631 -14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.961 -4.545 -14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.285 -7.025 -12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.844 -6.200 -12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.259 -6.459 -11.217 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.282 -2.967 -13.460 1.00 0.00 N ATOM 1639 CA ARG A 99 0.357 -1.885 -14.259 1.00 0.00 C ATOM 1640 C ARG A 99 -0.113 -2.004 -15.712 1.00 0.00 C ATOM 1641 O ARG A 99 -0.064 -3.065 -16.306 1.00 0.00 O ATOM 1642 CB ARG A 99 1.880 -2.035 -14.201 1.00 0.00 C ATOM 1643 CG ARG A 99 2.531 -1.054 -15.178 1.00 0.00 C ATOM 1644 CD ARG A 99 4.010 -1.409 -15.348 1.00 0.00 C ATOM 1645 NE ARG A 99 4.228 -1.999 -16.698 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.524 -3.264 -16.819 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.580 -4.164 -16.763 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.764 -3.630 -16.997 1.00 0.00 N ATOM 0 H ARG A 99 -0.235 -3.895 -13.880 1.00 0.00 H new ATOM 0 HA ARG A 99 0.078 -0.912 -13.855 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.236 -1.845 -13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.165 -3.057 -14.452 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.023 -1.093 -16.142 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.431 -0.034 -14.807 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.625 -0.518 -15.226 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.316 -2.116 -14.577 1.00 0.00 H new ATOM 0 HE ARG A 99 4.146 -1.413 -17.529 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.611 -3.878 -16.625 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.812 -5.153 -16.858 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.502 -2.927 -17.042 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.995 -4.619 -17.092 1.00 0.00 H new ATOM 1662 N ARG A 100 -0.580 -0.930 -16.290 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.056 -0.997 -17.700 1.00 0.00 C ATOM 1664 C ARG A 100 0.017 -0.438 -18.634 1.00 0.00 C ATOM 1665 O ARG A 100 0.778 0.438 -18.271 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.337 -0.174 -17.849 1.00 0.00 C ATOM 1667 CG ARG A 100 -2.728 -0.107 -19.328 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.243 -0.262 -19.467 1.00 0.00 C ATOM 1669 NE ARG A 100 -4.739 0.645 -20.540 1.00 0.00 N ATOM 1670 CZ ARG A 100 -5.108 0.152 -21.691 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -4.521 -0.913 -22.163 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.065 0.725 -22.370 1.00 0.00 N ATOM 0 H ARG A 100 -0.652 -0.013 -15.848 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.258 -2.036 -17.961 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.142 -0.625 -17.269 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.185 0.831 -17.456 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.409 0.843 -19.756 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.219 -0.894 -19.885 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.493 -1.296 -19.706 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.732 -0.026 -18.522 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.790 1.650 -20.375 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.774 -1.361 -21.633 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.810 -1.298 -23.062 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.524 1.558 -22.001 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.353 0.340 -23.269 1.00 0.00 H new