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= -0.376 X(o=-0.38,f=-0.84!) 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= -0.419 K(o=-0.42,f=-2.3) USER MOD Single : A 59 CYS SG : rot -170:sc= -1.93 USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= -0.555 (180deg=-1.88!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0744 USER MOD Single : A 95 TYR OH : rot -97:sc= 0.336 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.185 -9.909 -15.250 1.00 0.00 N ATOM 538 CA GLY A 33 4.533 -9.610 -16.667 1.00 0.00 C ATOM 539 C GLY A 33 3.611 -10.397 -17.600 1.00 0.00 C ATOM 540 O GLY A 33 4.035 -10.919 -18.612 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.434 -8.541 -16.858 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.573 -9.874 -16.860 1.00 0.00 H new ATOM 544 N SER A 34 2.352 -10.489 -17.268 1.00 0.00 N ATOM 545 CA SER A 34 1.406 -11.244 -18.137 1.00 0.00 C ATOM 546 C SER A 34 0.186 -10.372 -18.445 1.00 0.00 C ATOM 547 O SER A 34 -0.083 -9.402 -17.765 1.00 0.00 O ATOM 548 CB SER A 34 0.958 -12.516 -17.416 1.00 0.00 C ATOM 549 OG SER A 34 2.078 -13.109 -16.772 1.00 0.00 O ATOM 0 H SER A 34 1.938 -10.074 -16.433 1.00 0.00 H new ATOM 0 HA SER A 34 1.903 -11.511 -19.070 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.186 -12.280 -16.684 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.520 -13.216 -18.127 1.00 0.00 H new ATOM 0 HG SER A 34 1.794 -13.924 -16.307 1.00 0.00 H new ATOM 555 N VAL A 35 -0.553 -10.709 -19.467 1.00 0.00 N ATOM 556 CA VAL A 35 -1.753 -9.896 -19.819 1.00 0.00 C ATOM 557 C VAL A 35 -3.023 -10.692 -19.504 1.00 0.00 C ATOM 558 O VAL A 35 -3.145 -11.849 -19.855 1.00 0.00 O ATOM 559 CB VAL A 35 -1.720 -9.559 -21.311 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.351 -8.984 -21.675 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.971 -10.831 -22.125 1.00 0.00 C ATOM 0 H VAL A 35 -0.378 -11.511 -20.073 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.750 -8.975 -19.237 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.493 -8.824 -21.535 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.328 -8.744 -22.738 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.171 -8.079 -21.095 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.423 -9.718 -21.452 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.948 -10.593 -23.188 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.197 -11.565 -21.901 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.947 -11.242 -21.866 1.00 0.00 H new ATOM 571 N HIS A 36 -3.969 -10.081 -18.846 1.00 0.00 N ATOM 572 CA HIS A 36 -5.230 -10.800 -18.511 1.00 0.00 C ATOM 573 C HIS A 36 -6.400 -9.811 -18.526 1.00 0.00 C ATOM 574 O HIS A 36 -6.210 -8.614 -18.608 1.00 0.00 O ATOM 575 CB HIS A 36 -5.107 -11.424 -17.119 1.00 0.00 C ATOM 576 CG HIS A 36 -4.689 -12.863 -17.248 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.132 -13.673 -18.284 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.867 -13.652 -16.482 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.581 -14.889 -18.111 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.802 -14.930 -17.028 1.00 0.00 N ATOM 0 H HIS A 36 -3.923 -9.114 -18.526 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.408 -11.585 -19.246 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.376 -10.874 -16.526 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.060 -11.357 -16.594 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.349 -13.329 -15.591 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.749 -15.729 -18.769 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.272 -15.728 -16.676 1.00 0.00 H new ATOM 588 N GLU A 37 -7.606 -10.303 -18.451 1.00 0.00 N ATOM 589 CA GLU A 37 -8.784 -9.389 -18.465 1.00 0.00 C ATOM 590 C GLU A 37 -9.296 -9.186 -17.037 1.00 0.00 C ATOM 591 O GLU A 37 -9.120 -10.028 -16.178 1.00 0.00 O ATOM 592 CB GLU A 37 -9.895 -10.004 -19.321 1.00 0.00 C ATOM 593 CG GLU A 37 -10.022 -9.220 -20.629 1.00 0.00 C ATOM 594 CD GLU A 37 -11.155 -9.811 -21.471 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.055 -10.973 -21.830 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.101 -9.091 -21.743 1.00 0.00 O ATOM 0 H GLU A 37 -7.827 -11.296 -18.381 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.489 -8.427 -18.883 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.670 -11.050 -19.531 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.840 -9.984 -18.779 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.222 -8.169 -20.418 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.084 -9.261 -21.182 1.00 0.00 H new ATOM 603 N GLY A 38 -9.927 -8.073 -16.775 1.00 0.00 N ATOM 604 CA GLY A 38 -10.448 -7.815 -15.403 1.00 0.00 C ATOM 605 C GLY A 38 -11.322 -6.558 -15.407 1.00 0.00 C ATOM 606 O GLY A 38 -11.440 -5.873 -16.406 1.00 0.00 O ATOM 0 H GLY A 38 -10.104 -7.331 -17.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.028 -8.671 -15.058 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.619 -7.690 -14.707 1.00 0.00 H new ATOM 610 N ILE A 39 -11.933 -6.250 -14.296 1.00 0.00 N ATOM 611 CA ILE A 39 -12.801 -5.039 -14.223 1.00 0.00 C ATOM 612 C ILE A 39 -12.005 -3.895 -13.591 1.00 0.00 C ATOM 613 O ILE A 39 -11.196 -4.106 -12.710 1.00 0.00 O ATOM 614 CB ILE A 39 -14.034 -5.353 -13.368 1.00 0.00 C ATOM 615 CG1 ILE A 39 -15.028 -6.174 -14.193 1.00 0.00 C ATOM 616 CG2 ILE A 39 -14.706 -4.054 -12.915 1.00 0.00 C ATOM 617 CD1 ILE A 39 -14.825 -7.662 -13.906 1.00 0.00 C ATOM 0 H ILE A 39 -11.868 -6.787 -13.431 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.124 -4.747 -15.222 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.723 -5.919 -12.490 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.049 -5.882 -13.947 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.886 -5.975 -15.255 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.581 -4.289 -12.308 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.002 -3.467 -12.325 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.014 -3.480 -13.789 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.533 -8.246 -14.494 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.808 -7.949 -14.174 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.989 -7.854 -12.846 1.00 0.00 H new ATOM 629 N VAL A 40 -12.221 -2.687 -14.035 1.00 0.00 N ATOM 630 CA VAL A 40 -11.466 -1.537 -13.456 1.00 0.00 C ATOM 631 C VAL A 40 -12.346 -0.790 -12.452 1.00 0.00 C ATOM 632 O VAL A 40 -13.523 -1.058 -12.322 1.00 0.00 O ATOM 633 CB VAL A 40 -11.056 -0.583 -14.583 1.00 0.00 C ATOM 634 CG1 VAL A 40 -9.840 0.234 -14.142 1.00 0.00 C ATOM 635 CG2 VAL A 40 -10.696 -1.393 -15.830 1.00 0.00 C ATOM 0 H VAL A 40 -12.885 -2.446 -14.771 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.577 -1.909 -12.946 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.884 0.088 -14.810 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.548 0.913 -14.943 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.092 0.810 -13.252 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.012 -0.438 -13.916 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.404 -0.715 -16.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.867 -2.063 -15.602 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.560 -1.978 -16.146 1.00 0.00 H new ATOM 645 N TYR A 41 -11.786 0.149 -11.744 1.00 0.00 N ATOM 646 CA TYR A 41 -12.595 0.920 -10.758 1.00 0.00 C ATOM 647 C TYR A 41 -11.937 2.279 -10.507 1.00 0.00 C ATOM 648 O TYR A 41 -10.730 2.414 -10.557 1.00 0.00 O ATOM 649 CB TYR A 41 -12.678 0.145 -9.441 1.00 0.00 C ATOM 650 CG TYR A 41 -14.033 0.365 -8.812 1.00 0.00 C ATOM 651 CD1 TYR A 41 -14.328 1.589 -8.201 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.993 -0.656 -8.841 1.00 0.00 C ATOM 653 CE1 TYR A 41 -15.585 1.796 -7.617 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.250 -0.448 -8.258 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.546 0.777 -7.646 1.00 0.00 C ATOM 656 OH TYR A 41 -17.785 0.981 -7.072 1.00 0.00 O ATOM 0 H TYR A 41 -10.804 0.417 -11.804 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.599 1.069 -11.155 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.517 -0.918 -9.621 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.892 0.476 -8.762 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.587 2.374 -8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.764 -1.601 -9.312 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.813 2.740 -7.145 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.992 -1.233 -8.280 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.332 0.175 -7.181 1.00 0.00 H new ATOM 666 N PHE A 42 -12.721 3.288 -10.236 1.00 0.00 N ATOM 667 CA PHE A 42 -12.141 4.638 -9.982 1.00 0.00 C ATOM 668 C PHE A 42 -12.105 4.902 -8.475 1.00 0.00 C ATOM 669 O PHE A 42 -13.109 5.209 -7.865 1.00 0.00 O ATOM 670 CB PHE A 42 -13.008 5.700 -10.663 1.00 0.00 C ATOM 671 CG PHE A 42 -12.384 7.062 -10.472 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.267 7.433 -11.233 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.921 7.954 -9.536 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.688 8.697 -11.057 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.343 9.218 -9.358 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.226 9.589 -10.119 1.00 0.00 C ATOM 0 H PHE A 42 -13.738 3.235 -10.180 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.129 4.680 -10.383 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.104 5.479 -11.726 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.014 5.687 -10.243 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.853 6.745 -11.955 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.782 7.667 -8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.828 8.984 -11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.758 9.905 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.779 10.563 -9.983 1.00 0.00 H new ATOM 727 N ILE A 46 -6.301 6.031 -6.342 1.00 0.00 N ATOM 728 CA ILE A 46 -5.622 5.408 -7.511 1.00 0.00 C ATOM 729 C ILE A 46 -6.643 4.604 -8.314 1.00 0.00 C ATOM 730 O ILE A 46 -7.828 4.867 -8.265 1.00 0.00 O ATOM 731 CB ILE A 46 -4.510 4.482 -7.017 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.126 3.342 -6.202 1.00 0.00 C ATOM 733 CG2 ILE A 46 -3.542 5.271 -6.135 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.063 2.277 -5.929 1.00 0.00 C ATOM 0 HA ILE A 46 -5.190 6.183 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.971 4.073 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.521 3.726 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.964 2.904 -6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.750 4.610 -5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.105 6.086 -6.712 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.080 5.680 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.502 1.465 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.689 1.886 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.240 2.720 -5.369 1.00 0.00 H new ATOM 746 N PHE A 47 -6.202 3.621 -9.051 1.00 0.00 N ATOM 747 CA PHE A 47 -7.164 2.809 -9.843 1.00 0.00 C ATOM 748 C PHE A 47 -7.300 1.428 -9.204 1.00 0.00 C ATOM 749 O PHE A 47 -6.412 0.965 -8.517 1.00 0.00 O ATOM 750 CB PHE A 47 -6.655 2.664 -11.280 1.00 0.00 C ATOM 751 CG PHE A 47 -7.255 3.752 -12.137 1.00 0.00 C ATOM 752 CD1 PHE A 47 -7.583 4.991 -11.570 1.00 0.00 C ATOM 753 CD2 PHE A 47 -7.488 3.521 -13.499 1.00 0.00 C ATOM 754 CE1 PHE A 47 -8.142 6.001 -12.367 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.046 4.530 -14.296 1.00 0.00 C ATOM 756 CZ PHE A 47 -8.373 5.769 -13.729 1.00 0.00 C ATOM 0 H PHE A 47 -5.223 3.348 -9.138 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.136 3.303 -9.857 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.567 2.728 -11.300 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.924 1.685 -11.676 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.405 5.168 -10.520 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.238 2.565 -13.935 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.394 6.956 -11.931 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.224 4.353 -15.346 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.804 6.546 -14.343 1.00 0.00 H new ATOM 766 N LYS A 48 -8.404 0.769 -9.418 1.00 0.00 N ATOM 767 CA LYS A 48 -8.590 -0.580 -8.816 1.00 0.00 C ATOM 768 C LYS A 48 -8.947 -1.583 -9.912 1.00 0.00 C ATOM 769 O LYS A 48 -9.549 -1.239 -10.910 1.00 0.00 O ATOM 770 CB LYS A 48 -9.718 -0.531 -7.785 1.00 0.00 C ATOM 771 CG LYS A 48 -9.446 -1.552 -6.679 1.00 0.00 C ATOM 772 CD LYS A 48 -10.728 -1.789 -5.877 1.00 0.00 C ATOM 773 CE LYS A 48 -10.388 -2.491 -4.561 1.00 0.00 C ATOM 774 NZ LYS A 48 -11.596 -3.195 -4.048 1.00 0.00 N ATOM 0 H LYS A 48 -9.184 1.105 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.665 -0.888 -8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.793 0.470 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.673 -0.745 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.097 -2.489 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.655 -1.190 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.224 -0.839 -5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.424 -2.396 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.577 -3.203 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.039 -1.764 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.366 -3.673 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.357 -2.505 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.910 -3.900 -4.746 1.00 0.00 H new ATOM 788 N VAL A 49 -8.582 -2.822 -9.731 1.00 0.00 N ATOM 789 CA VAL A 49 -8.901 -3.851 -10.758 1.00 0.00 C ATOM 790 C VAL A 49 -9.355 -5.135 -10.057 1.00 0.00 C ATOM 791 O VAL A 49 -8.586 -5.788 -9.382 1.00 0.00 O ATOM 792 CB VAL A 49 -7.653 -4.143 -11.592 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.055 -4.856 -12.885 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.952 -2.826 -11.935 1.00 0.00 C ATOM 0 H VAL A 49 -8.076 -3.166 -8.915 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.695 -3.486 -11.409 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.977 -4.780 -11.022 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.164 -5.063 -13.478 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.556 -5.793 -12.643 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.731 -4.220 -13.456 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.062 -3.032 -12.530 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.630 -2.191 -12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.664 -2.317 -11.015 1.00 0.00 H new ATOM 804 N ARG A 50 -10.599 -5.498 -10.208 1.00 0.00 N ATOM 805 CA ARG A 50 -11.097 -6.737 -9.547 1.00 0.00 C ATOM 806 C ARG A 50 -11.128 -7.879 -10.564 1.00 0.00 C ATOM 807 O ARG A 50 -11.692 -7.757 -11.633 1.00 0.00 O ATOM 808 CB ARG A 50 -12.509 -6.495 -9.007 1.00 0.00 C ATOM 809 CG ARG A 50 -13.111 -7.819 -8.534 1.00 0.00 C ATOM 810 CD ARG A 50 -13.308 -7.777 -7.018 1.00 0.00 C ATOM 811 NE ARG A 50 -14.618 -7.141 -6.705 1.00 0.00 N ATOM 812 CZ ARG A 50 -15.192 -7.361 -5.553 1.00 0.00 C ATOM 813 NH1 ARG A 50 -14.841 -6.665 -4.506 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.114 -8.277 -5.449 1.00 0.00 N ATOM 0 H ARG A 50 -11.291 -4.991 -10.760 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.434 -7.002 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.477 -5.783 -8.182 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.136 -6.055 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.065 -7.995 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.454 -8.646 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.275 -8.786 -6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.498 -7.216 -6.551 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.067 -6.534 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.119 -5.950 -4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.289 -6.837 -3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.387 -8.821 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.563 -8.449 -4.549 1.00 0.00 H new ATOM 828 N LEU A 51 -10.525 -8.990 -10.241 1.00 0.00 N ATOM 829 CA LEU A 51 -10.521 -10.136 -11.193 1.00 0.00 C ATOM 830 C LEU A 51 -11.852 -10.882 -11.101 1.00 0.00 C ATOM 831 O LEU A 51 -11.981 -11.855 -10.385 1.00 0.00 O ATOM 832 CB LEU A 51 -9.377 -11.089 -10.845 1.00 0.00 C ATOM 833 CG LEU A 51 -8.388 -11.141 -12.009 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.049 -10.547 -11.570 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.187 -12.595 -12.442 1.00 0.00 C ATOM 0 H LEU A 51 -10.036 -9.154 -9.361 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.384 -9.762 -12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.872 -10.753 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.768 -12.086 -10.641 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.781 -10.564 -12.846 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.344 -10.585 -12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.194 -9.511 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.653 -11.121 -10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.482 -12.633 -13.272 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.794 -13.173 -11.605 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.142 -13.016 -12.757 1.00 0.00 H new ATOM 847 N LEU A 52 -12.844 -10.436 -11.822 1.00 0.00 N ATOM 848 CA LEU A 52 -14.165 -11.120 -11.777 1.00 0.00 C ATOM 849 C LEU A 52 -14.001 -12.572 -12.229 1.00 0.00 C ATOM 850 O LEU A 52 -13.199 -12.879 -13.088 1.00 0.00 O ATOM 851 CB LEU A 52 -15.142 -10.404 -12.713 1.00 0.00 C ATOM 852 CG LEU A 52 -16.436 -11.214 -12.824 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.274 -11.016 -11.559 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.231 -10.734 -14.041 1.00 0.00 C ATOM 0 H LEU A 52 -12.796 -9.626 -12.441 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.553 -11.096 -10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.358 -9.405 -12.334 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.693 -10.281 -13.698 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.195 -12.271 -12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.195 -11.593 -11.639 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.708 -11.354 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.516 -9.959 -11.445 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.153 -11.309 -14.123 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.471 -9.677 -13.925 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.635 -10.874 -14.943 1.00 0.00 H new ATOM 866 N GLY A 53 -14.759 -13.469 -11.658 1.00 0.00 N ATOM 867 CA GLY A 53 -14.649 -14.900 -12.058 1.00 0.00 C ATOM 868 C GLY A 53 -13.840 -15.667 -11.011 1.00 0.00 C ATOM 869 O GLY A 53 -14.283 -16.666 -10.480 1.00 0.00 O ATOM 0 H GLY A 53 -15.449 -13.272 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.642 -15.338 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.168 -14.979 -13.033 1.00 0.00 H new ATOM 873 N TYR A 54 -12.654 -15.211 -10.712 1.00 0.00 N ATOM 874 CA TYR A 54 -11.818 -15.919 -9.702 1.00 0.00 C ATOM 875 C TYR A 54 -12.413 -15.712 -8.308 1.00 0.00 C ATOM 876 O TYR A 54 -12.205 -16.502 -7.410 1.00 0.00 O ATOM 877 CB TYR A 54 -10.393 -15.362 -9.736 1.00 0.00 C ATOM 878 CG TYR A 54 -9.417 -16.494 -9.948 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.303 -17.510 -8.989 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.626 -16.530 -11.104 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.398 -18.561 -9.186 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.721 -17.581 -11.301 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.607 -18.596 -10.343 1.00 0.00 C ATOM 884 OH TYR A 54 -6.715 -19.631 -10.537 1.00 0.00 O ATOM 0 H TYR A 54 -12.229 -14.380 -11.123 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.797 -16.984 -9.933 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.296 -14.629 -10.537 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.170 -14.845 -8.802 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.913 -17.483 -8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.714 -15.747 -11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.310 -19.344 -8.447 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.111 -17.608 -12.192 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.247 -19.504 -11.389 1.00 0.00 H new ATOM 894 N GLU A 55 -13.156 -14.655 -8.120 1.00 0.00 N ATOM 895 CA GLU A 55 -13.764 -14.401 -6.784 1.00 0.00 C ATOM 896 C GLU A 55 -12.700 -14.567 -5.696 1.00 0.00 C ATOM 897 O GLU A 55 -12.556 -15.623 -5.112 1.00 0.00 O ATOM 898 CB GLU A 55 -14.899 -15.399 -6.543 1.00 0.00 C ATOM 899 CG GLU A 55 -16.091 -14.676 -5.915 1.00 0.00 C ATOM 900 CD GLU A 55 -16.309 -15.193 -4.491 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.325 -15.427 -3.810 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.457 -15.343 -4.106 1.00 0.00 O ATOM 0 H GLU A 55 -13.368 -13.957 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.158 -13.385 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.196 -15.862 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.559 -16.200 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.911 -13.601 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.987 -14.841 -6.514 1.00 0.00 H new ATOM 909 N GLY A 56 -11.956 -13.533 -5.417 1.00 0.00 N ATOM 910 CA GLY A 56 -10.904 -13.634 -4.366 1.00 0.00 C ATOM 911 C GLY A 56 -9.625 -12.948 -4.851 1.00 0.00 C ATOM 912 O GLY A 56 -8.690 -12.752 -4.101 1.00 0.00 O ATOM 0 H GLY A 56 -12.031 -12.623 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.251 -13.168 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.703 -14.681 -4.138 1.00 0.00 H new ATOM 916 N HIS A 57 -9.576 -12.585 -6.103 1.00 0.00 N ATOM 917 CA HIS A 57 -8.357 -11.915 -6.638 1.00 0.00 C ATOM 918 C HIS A 57 -8.565 -10.399 -6.643 1.00 0.00 C ATOM 919 O HIS A 57 -9.172 -9.850 -7.542 1.00 0.00 O ATOM 920 CB HIS A 57 -8.096 -12.400 -8.066 1.00 0.00 C ATOM 921 CG HIS A 57 -7.163 -13.578 -8.034 1.00 0.00 C ATOM 922 ND1 HIS A 57 -7.134 -14.525 -9.046 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.218 -13.977 -7.121 1.00 0.00 C ATOM 924 CE1 HIS A 57 -6.202 -15.439 -8.721 1.00 0.00 C ATOM 925 NE2 HIS A 57 -5.612 -15.152 -7.556 1.00 0.00 N ATOM 0 H HIS A 57 -10.327 -12.723 -6.779 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.502 -12.160 -6.008 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.035 -12.680 -8.544 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.663 -11.596 -8.661 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -7.714 -14.528 -9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.981 -13.458 -6.204 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.960 -16.300 -9.327 1.00 0.00 H new ATOM 933 N GLU A 58 -8.066 -9.718 -5.648 1.00 0.00 N ATOM 934 CA GLU A 58 -8.235 -8.238 -5.600 1.00 0.00 C ATOM 935 C GLU A 58 -6.939 -7.563 -6.054 1.00 0.00 C ATOM 936 O GLU A 58 -5.948 -7.559 -5.351 1.00 0.00 O ATOM 937 CB GLU A 58 -8.561 -7.804 -4.170 1.00 0.00 C ATOM 938 CG GLU A 58 -8.557 -6.276 -4.087 1.00 0.00 C ATOM 939 CD GLU A 58 -9.120 -5.835 -2.735 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.318 -5.960 -2.544 1.00 0.00 O ATOM 941 OE2 GLU A 58 -8.342 -5.381 -1.912 1.00 0.00 O ATOM 0 H GLU A 58 -7.549 -10.122 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.051 -7.945 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.536 -8.192 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.829 -8.218 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.542 -5.898 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.155 -5.856 -4.896 1.00 0.00 H new ATOM 948 N CYS A 59 -6.937 -6.992 -7.227 1.00 0.00 N ATOM 949 CA CYS A 59 -5.705 -6.320 -7.722 1.00 0.00 C ATOM 950 C CYS A 59 -5.873 -4.803 -7.625 1.00 0.00 C ATOM 951 O CYS A 59 -6.971 -4.295 -7.505 1.00 0.00 O ATOM 952 CB CYS A 59 -5.460 -6.709 -9.181 1.00 0.00 C ATOM 953 SG CYS A 59 -5.461 -8.512 -9.334 1.00 0.00 S ATOM 0 H CYS A 59 -7.734 -6.962 -7.862 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.856 -6.632 -7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.233 -6.279 -9.818 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.506 -6.305 -9.521 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.048 -8.847 -10.520 1.00 0.00 H new ATOM 959 N ILE A 60 -4.792 -4.079 -7.683 1.00 0.00 N ATOM 960 CA ILE A 60 -4.874 -2.594 -7.605 1.00 0.00 C ATOM 961 C ILE A 60 -4.049 -2.001 -8.745 1.00 0.00 C ATOM 962 O ILE A 60 -2.930 -2.403 -8.982 1.00 0.00 O ATOM 963 CB ILE A 60 -4.317 -2.107 -6.262 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.304 -3.121 -5.720 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.463 -1.952 -5.261 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.596 -2.534 -4.498 1.00 0.00 C ATOM 0 H ILE A 60 -3.849 -4.454 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.914 -2.278 -7.688 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.823 -1.146 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.811 -4.047 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.575 -3.370 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.068 -1.606 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.182 -1.226 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.957 -2.914 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.876 -3.256 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.076 -1.619 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.331 -2.308 -3.726 1.00 0.00 H new ATOM 978 N LEU A 61 -4.589 -1.057 -9.461 1.00 0.00 N ATOM 979 CA LEU A 61 -3.824 -0.462 -10.590 1.00 0.00 C ATOM 980 C LEU A 61 -3.159 0.836 -10.138 1.00 0.00 C ATOM 981 O LEU A 61 -3.804 1.747 -9.651 1.00 0.00 O ATOM 982 CB LEU A 61 -4.772 -0.170 -11.754 1.00 0.00 C ATOM 983 CG LEU A 61 -3.973 -0.121 -13.057 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.466 -1.221 -13.999 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.168 1.244 -13.722 1.00 0.00 C ATOM 0 H LEU A 61 -5.523 -0.673 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.057 -1.166 -10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.541 -0.941 -11.814 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.284 0.779 -11.592 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.916 -0.274 -12.842 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.897 -1.187 -14.928 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.330 -2.193 -13.526 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.523 -1.068 -14.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.599 1.281 -14.651 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.226 1.396 -13.938 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.818 2.029 -13.051 1.00 0.00 H new ATOM 997 N LEU A 62 -1.867 0.925 -10.301 1.00 0.00 N ATOM 998 CA LEU A 62 -1.145 2.159 -9.885 1.00 0.00 C ATOM 999 C LEU A 62 0.102 2.337 -10.753 1.00 0.00 C ATOM 1000 O LEU A 62 0.457 3.437 -11.127 1.00 0.00 O ATOM 1001 CB LEU A 62 -0.730 2.042 -8.417 1.00 0.00 C ATOM 1002 CG LEU A 62 0.088 3.271 -8.017 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -0.842 4.340 -7.440 1.00 0.00 C ATOM 1004 CD2 LEU A 62 1.121 2.873 -6.960 1.00 0.00 C ATOM 0 H LEU A 62 -1.280 0.195 -10.705 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.802 3.020 -10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.614 1.959 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.143 1.136 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 62 0.597 3.668 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.258 5.215 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.579 4.624 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.352 3.943 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.705 3.748 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.610 2.475 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.785 2.112 -7.369 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.072 3.083 -16.463 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.590 2.985 -16.325 1.00 0.00 C ATOM 1326 C VAL A 80 -14.201 1.562 -15.920 1.00 0.00 C ATOM 1327 O VAL A 80 -13.250 0.995 -16.418 1.00 0.00 O ATOM 1328 CB VAL A 80 -14.120 3.977 -15.252 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.297 3.373 -13.853 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -12.645 4.314 -15.479 1.00 0.00 C ATOM 0 HA VAL A 80 -14.117 3.224 -17.277 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.720 4.884 -15.323 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.959 4.088 -13.103 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.349 3.142 -13.687 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.708 2.459 -13.774 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -12.311 5.018 -14.717 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.050 3.403 -15.417 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.522 4.761 -16.465 1.00 0.00 H new ATOM 1340 N GLY A 81 -14.928 0.993 -15.002 1.00 0.00 N ATOM 1341 CA GLY A 81 -14.613 -0.385 -14.529 1.00 0.00 C ATOM 1342 C GLY A 81 -15.035 -1.448 -15.550 1.00 0.00 C ATOM 1343 O GLY A 81 -15.103 -2.618 -15.230 1.00 0.00 O ATOM 0 H GLY A 81 -15.735 1.427 -14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.543 -0.468 -14.339 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.120 -0.569 -13.582 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.306 -1.068 -16.770 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.706 -2.078 -17.794 1.00 0.00 C ATOM 1349 C ARG A 82 -14.701 -3.226 -17.805 1.00 0.00 C ATOM 1350 O ARG A 82 -13.798 -3.294 -16.994 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.732 -1.415 -19.172 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.943 -1.919 -19.958 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.264 -0.939 -21.088 1.00 0.00 C ATOM 1354 NE ARG A 82 -16.222 -1.045 -22.148 1.00 0.00 N ATOM 1355 CZ ARG A 82 -16.443 -0.545 -23.334 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -16.917 0.665 -23.454 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -16.188 -1.254 -24.399 1.00 0.00 N ATOM 0 H ARG A 82 -15.268 -0.104 -17.102 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.695 -2.467 -17.552 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.780 -0.331 -19.065 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.814 -1.642 -19.714 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.738 -2.908 -20.368 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.803 -2.021 -19.296 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.247 -1.158 -21.506 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.302 0.079 -20.701 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.336 -1.508 -21.947 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.115 1.220 -22.621 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.090 1.056 -24.380 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.816 -2.199 -24.305 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.361 -0.863 -25.325 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.849 -4.129 -18.726 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.906 -5.279 -18.801 1.00 0.00 C ATOM 1373 C VAL A 83 -12.818 -4.958 -19.823 1.00 0.00 C ATOM 1374 O VAL A 83 -13.073 -4.839 -21.005 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.664 -6.536 -19.232 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.498 -7.056 -18.061 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.589 -6.197 -20.403 1.00 0.00 C ATOM 0 H VAL A 83 -15.583 -4.123 -19.434 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.455 -5.453 -17.824 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.951 -7.301 -19.540 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.038 -7.952 -18.368 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.841 -7.297 -17.225 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.210 -6.290 -17.753 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.129 -7.092 -20.711 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.301 -5.431 -20.095 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.996 -5.826 -21.239 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.606 -4.796 -19.369 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.499 -4.455 -20.304 1.00 0.00 C ATOM 1389 C ILE A 84 -9.283 -5.339 -20.018 1.00 0.00 C ATOM 1390 O ILE A 84 -9.270 -6.117 -19.085 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.117 -2.987 -20.105 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.781 -2.742 -18.631 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.297 -2.097 -20.503 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -8.391 -3.296 -18.317 1.00 0.00 C ATOM 0 H ILE A 84 -11.335 -4.885 -18.390 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.826 -4.621 -21.331 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.251 -2.751 -20.724 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.815 -1.674 -18.414 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.525 -3.220 -17.995 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.027 -1.050 -20.362 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.546 -2.270 -21.550 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -12.159 -2.336 -19.881 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.157 -3.119 -17.267 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.373 -4.367 -18.517 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.651 -2.797 -18.943 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.257 -5.218 -20.817 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.035 -6.042 -20.596 1.00 0.00 C ATOM 1408 C LYS A 85 -5.999 -5.206 -19.843 1.00 0.00 C ATOM 1409 O LYS A 85 -5.966 -3.996 -19.955 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.456 -6.472 -21.946 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.523 -7.222 -22.746 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.922 -7.712 -24.065 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.417 -9.145 -23.897 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.131 -9.133 -23.144 1.00 0.00 N ATOM 0 H LYS A 85 -8.213 -4.583 -21.614 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.290 -6.928 -20.014 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.117 -5.598 -22.503 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.586 -7.110 -21.793 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.898 -8.067 -22.169 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.372 -6.568 -22.942 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.671 -7.670 -24.856 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.103 -7.060 -24.367 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.157 -9.743 -23.365 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.275 -9.609 -24.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.539 -9.929 -23.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.631 -8.239 -23.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.324 -9.222 -22.126 1.00 0.00 H new ATOM 1428 N THR A 86 -5.154 -5.837 -19.077 1.00 0.00 N ATOM 1429 CA THR A 86 -4.125 -5.072 -18.318 1.00 0.00 C ATOM 1430 C THR A 86 -2.928 -5.978 -18.026 1.00 0.00 C ATOM 1431 O THR A 86 -2.973 -7.172 -18.248 1.00 0.00 O ATOM 1432 CB THR A 86 -4.726 -4.581 -16.999 1.00 0.00 C ATOM 1433 OG1 THR A 86 -6.094 -4.961 -16.934 1.00 0.00 O ATOM 1434 CG2 THR A 86 -4.614 -3.059 -16.920 1.00 0.00 C ATOM 0 H THR A 86 -5.131 -6.848 -18.943 1.00 0.00 H new ATOM 0 HA THR A 86 -3.798 -4.217 -18.910 1.00 0.00 H new ATOM 0 HB THR A 86 -4.184 -5.026 -16.165 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.480 -4.649 -16.089 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.042 -2.711 -15.980 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.565 -2.768 -16.970 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.155 -2.611 -17.753 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.857 -5.423 -17.529 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.663 -6.258 -17.226 1.00 0.00 C ATOM 1444 C ARG A 87 -0.632 -6.569 -15.728 1.00 0.00 C ATOM 1445 O ARG A 87 -1.158 -5.829 -14.921 1.00 0.00 O ATOM 1446 CB ARG A 87 0.603 -5.494 -17.619 1.00 0.00 C ATOM 1447 CG ARG A 87 0.357 -4.743 -18.929 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.068 -5.734 -20.015 1.00 0.00 C ATOM 1449 NE ARG A 87 0.414 -5.254 -21.340 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.402 -5.219 -22.358 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.571 -4.651 -22.239 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.048 -5.749 -23.496 1.00 0.00 N ATOM 0 H ARG A 87 -1.758 -4.429 -17.320 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.712 -7.190 -17.790 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.877 -4.793 -16.831 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.437 -6.186 -17.735 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.417 -3.988 -18.788 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.262 -4.218 -19.235 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.342 -6.721 -19.802 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.153 -5.835 -20.026 1.00 0.00 H new ATOM 0 HE ARG A 87 1.382 -4.953 -21.452 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.847 -4.234 -21.350 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.208 -4.624 -23.035 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.867 -6.191 -23.590 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.686 -5.722 -24.292 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.015 -7.652 -15.347 1.00 0.00 N ATOM 1467 CA VAL A 88 0.047 -8.000 -13.901 1.00 0.00 C ATOM 1468 C VAL A 88 1.389 -7.538 -13.338 1.00 0.00 C ATOM 1469 O VAL A 88 2.438 -7.863 -13.859 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.089 -9.513 -13.731 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.250 -9.846 -12.246 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.321 -10.002 -14.497 1.00 0.00 C ATOM 0 H VAL A 88 0.448 -8.310 -15.973 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.766 -7.507 -13.367 1.00 0.00 H new ATOM 0 HB VAL A 88 0.802 -10.005 -14.121 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.347 -10.925 -12.123 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.625 -9.496 -11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.142 -9.355 -11.858 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.420 -11.081 -14.377 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.212 -9.510 -14.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.210 -9.763 -15.555 1.00 0.00 H new ATOM 1482 N VAL A 89 1.365 -6.764 -12.290 1.00 0.00 N ATOM 1483 CA VAL A 89 2.639 -6.264 -11.710 1.00 0.00 C ATOM 1484 C VAL A 89 3.217 -7.293 -10.734 1.00 0.00 C ATOM 1485 O VAL A 89 4.418 -7.435 -10.615 1.00 0.00 O ATOM 1486 CB VAL A 89 2.372 -4.953 -10.972 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.629 -4.523 -10.212 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.996 -3.869 -11.985 1.00 0.00 C ATOM 0 H VAL A 89 0.518 -6.457 -11.811 1.00 0.00 H new ATOM 0 HA VAL A 89 3.358 -6.099 -12.512 1.00 0.00 H new ATOM 0 HB VAL A 89 1.554 -5.096 -10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.435 -3.588 -9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.900 -5.294 -9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.449 -4.380 -10.916 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.805 -2.932 -11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.816 -3.730 -12.690 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.099 -4.172 -12.526 1.00 0.00 H new ATOM 1498 N ARG A 90 2.381 -8.013 -10.034 1.00 0.00 N ATOM 1499 CA ARG A 90 2.899 -9.024 -9.070 1.00 0.00 C ATOM 1500 C ARG A 90 1.766 -9.483 -8.149 1.00 0.00 C ATOM 1501 O ARG A 90 1.322 -8.754 -7.284 1.00 0.00 O ATOM 1502 CB ARG A 90 4.013 -8.402 -8.223 1.00 0.00 C ATOM 1503 CG ARG A 90 3.598 -6.995 -7.791 1.00 0.00 C ATOM 1504 CD ARG A 90 4.505 -6.518 -6.655 1.00 0.00 C ATOM 1505 NE ARG A 90 5.049 -5.172 -6.988 1.00 0.00 N ATOM 1506 CZ ARG A 90 6.004 -4.654 -6.263 1.00 0.00 C ATOM 1507 NH1 ARG A 90 5.711 -3.982 -5.182 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.250 -4.807 -6.618 1.00 0.00 N ATOM 0 H ARG A 90 1.365 -7.944 -10.089 1.00 0.00 H new ATOM 0 HA ARG A 90 3.291 -9.878 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.207 -9.021 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.940 -8.360 -8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.665 -6.310 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.558 -6.996 -7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.945 -6.475 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.321 -7.225 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 90 4.675 -4.654 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.737 -3.862 -4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.456 -3.577 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.479 -5.331 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.995 -4.402 -6.051 1.00 0.00 H new ATOM 1522 N ALA A 91 1.300 -10.687 -8.327 1.00 0.00 N ATOM 1523 CA ALA A 91 0.203 -11.198 -7.458 1.00 0.00 C ATOM 1524 C ALA A 91 0.809 -11.918 -6.252 1.00 0.00 C ATOM 1525 O ALA A 91 1.459 -12.935 -6.387 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.665 -12.175 -8.253 1.00 0.00 C ATOM 0 H ALA A 91 1.631 -11.340 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.411 -10.365 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.468 -12.549 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.093 -11.663 -9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.053 -13.010 -8.594 1.00 0.00 H new ATOM 1532 N ASP A 92 0.607 -11.398 -5.071 1.00 0.00 N ATOM 1533 CA ASP A 92 1.178 -12.056 -3.862 1.00 0.00 C ATOM 1534 C ASP A 92 0.099 -12.187 -2.785 1.00 0.00 C ATOM 1535 O ASP A 92 0.190 -11.597 -1.728 1.00 0.00 O ATOM 1536 CB ASP A 92 2.334 -11.211 -3.322 1.00 0.00 C ATOM 1537 CG ASP A 92 3.523 -12.119 -3.000 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.463 -12.806 -1.993 1.00 0.00 O ATOM 1539 OD2 ASP A 92 4.472 -12.113 -3.766 1.00 0.00 O ATOM 0 H ASP A 92 0.072 -10.548 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 92 1.542 -13.048 -4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.624 -10.461 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.019 -10.675 -2.427 1.00 0.00 H new ATOM 1544 N GLY A 93 -0.921 -12.960 -3.041 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.999 -13.129 -2.026 1.00 0.00 C ATOM 1546 C GLY A 93 -3.296 -12.499 -2.538 1.00 0.00 C ATOM 1547 O GLY A 93 -3.433 -12.194 -3.705 1.00 0.00 O ATOM 0 H GLY A 93 -1.054 -13.481 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.155 -14.188 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.703 -12.662 -1.087 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.251 -12.304 -1.668 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.543 -11.696 -2.097 1.00 0.00 C ATOM 1553 C LEU A 94 -5.285 -10.321 -2.715 1.00 0.00 C ATOM 1554 O LEU A 94 -6.050 -9.842 -3.529 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.459 -11.547 -0.880 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.888 -11.935 -1.264 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -8.049 -13.452 -1.157 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.873 -11.250 -0.315 1.00 0.00 C ATOM 0 H LEU A 94 -4.191 -12.540 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.020 -12.338 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.106 -12.180 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.435 -10.519 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.089 -11.619 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.067 -13.730 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.346 -13.941 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.849 -13.768 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.892 -11.525 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.673 -11.567 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.757 -10.169 -0.389 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.213 -9.680 -2.337 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.909 -8.336 -2.906 1.00 0.00 C ATOM 1572 C TYR A 95 -2.868 -8.480 -4.019 1.00 0.00 C ATOM 1573 O TYR A 95 -1.943 -9.260 -3.916 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.357 -7.429 -1.805 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.490 -6.648 -1.181 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.375 -7.280 -0.298 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.656 -5.291 -1.487 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.426 -6.554 0.280 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.706 -4.565 -0.910 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.591 -5.198 -0.026 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.626 -4.484 0.541 1.00 0.00 O ATOM 0 H TYR A 95 -3.535 -10.028 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.820 -7.898 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.852 -8.026 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.615 -6.746 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.248 -8.326 -0.063 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.974 -4.804 -2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.108 -7.041 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.834 -3.519 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.381 -4.451 -0.083 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.013 -7.740 -5.085 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.027 -7.848 -6.200 1.00 0.00 C ATOM 1593 C VAL A 96 -1.766 -6.465 -6.802 1.00 0.00 C ATOM 1594 O VAL A 96 -2.526 -5.538 -6.607 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.588 -8.774 -7.279 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.648 -8.783 -8.485 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.711 -10.192 -6.717 1.00 0.00 C ATOM 0 H VAL A 96 -3.767 -7.069 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.091 -8.252 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.570 -8.418 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.049 -9.444 -9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.559 -7.773 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.665 -9.139 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.111 -10.854 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.728 -10.547 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.382 -10.186 -5.858 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.696 -6.323 -7.541 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.389 -5.003 -8.165 1.00 0.00 C ATOM 1609 C ASP A 97 -0.800 -5.041 -9.640 1.00 0.00 C ATOM 1610 O ASP A 97 -0.918 -6.097 -10.232 1.00 0.00 O ATOM 1611 CB ASP A 97 1.111 -4.722 -8.052 1.00 0.00 C ATOM 1612 CG ASP A 97 1.445 -4.286 -6.625 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.589 -4.427 -5.767 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.551 -3.817 -6.414 1.00 0.00 O ATOM 0 H ASP A 97 -0.023 -7.063 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.939 -4.214 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.679 -5.615 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.400 -3.943 -8.758 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.043 -3.904 -10.240 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.470 -3.903 -11.670 1.00 0.00 C ATOM 1621 C LEU A 98 -0.810 -2.758 -12.439 1.00 0.00 C ATOM 1622 O LEU A 98 -0.750 -1.630 -11.978 1.00 0.00 O ATOM 1623 CB LEU A 98 -2.990 -3.733 -11.737 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.600 -4.831 -12.613 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.233 -4.580 -14.076 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.058 -6.196 -12.177 1.00 0.00 C ATOM 0 H LEU A 98 -0.965 -2.984 -9.806 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.168 -4.847 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.414 -3.779 -10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.237 -2.752 -12.143 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.684 -4.820 -12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.667 -5.362 -14.699 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.621 -3.610 -14.387 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.149 -4.589 -14.186 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.493 -6.976 -12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.973 -6.208 -12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.322 -6.376 -11.135 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.336 -3.048 -13.622 1.00 0.00 N ATOM 1639 CA ARG A 99 0.304 -2.000 -14.465 1.00 0.00 C ATOM 1640 C ARG A 99 -0.471 -1.894 -15.784 1.00 0.00 C ATOM 1641 O ARG A 99 -0.509 -2.822 -16.568 1.00 0.00 O ATOM 1642 CB ARG A 99 1.758 -2.390 -14.750 1.00 0.00 C ATOM 1643 CG ARG A 99 2.372 -1.398 -15.739 1.00 0.00 C ATOM 1644 CD ARG A 99 2.965 -2.160 -16.927 1.00 0.00 C ATOM 1645 NE ARG A 99 4.153 -2.940 -16.474 1.00 0.00 N ATOM 1646 CZ ARG A 99 5.245 -2.941 -17.191 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.172 -2.851 -18.490 1.00 0.00 N ATOM 1648 NH2 ARG A 99 6.408 -3.032 -16.607 1.00 0.00 N ATOM 0 H ARG A 99 -0.366 -3.977 -14.043 1.00 0.00 H new ATOM 0 HA ARG A 99 0.289 -1.041 -13.947 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.331 -2.397 -13.823 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.801 -3.400 -15.159 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.613 -0.697 -16.086 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.147 -0.811 -15.247 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.218 -2.830 -17.353 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.253 -1.462 -17.713 1.00 0.00 H new ATOM 0 HE ARG A 99 4.113 -3.472 -15.605 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.262 -2.780 -18.946 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.025 -2.852 -19.050 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.464 -3.102 -15.591 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.261 -3.033 -17.166 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.101 -0.777 -16.025 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.886 -0.620 -17.283 1.00 0.00 C ATOM 1664 C ARG A 100 -0.939 -0.539 -18.481 1.00 0.00 C ATOM 1665 O ARG A 100 0.243 -0.298 -18.339 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.721 0.661 -17.208 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.204 0.299 -17.104 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.995 1.072 -18.160 1.00 0.00 C ATOM 1669 NE ARG A 100 -6.286 1.534 -17.576 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.920 2.544 -18.108 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -7.542 2.398 -19.245 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.934 3.699 -17.500 1.00 0.00 N ATOM 0 H ARG A 100 -1.106 0.034 -15.406 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.544 -1.480 -17.403 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.419 1.254 -16.345 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.547 1.274 -18.093 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.338 -0.773 -17.247 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.578 0.537 -16.108 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.416 1.926 -18.510 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.182 0.437 -19.026 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.675 1.061 -16.760 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.533 1.495 -19.719 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.037 3.187 -19.660 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.450 3.812 -16.609 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.429 4.488 -17.915 1.00 0.00 H new