USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 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= -2.04 K(o=-2,f=-2.7!) 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 HD1:sc= -0.456 X(o=-0.46,f=-0.27) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.94! USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= -0.131 (180deg=-0.759) USER MOD Single : A 86 THR OG1 : rot -160:sc= -4.1! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.194 -10.544 -14.647 1.00 0.00 N ATOM 538 CA GLY A 33 4.119 -9.730 -15.892 1.00 0.00 C ATOM 539 C GLY A 33 3.279 -10.467 -16.936 1.00 0.00 C ATOM 540 O GLY A 33 3.723 -10.718 -18.039 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.678 -8.757 -15.676 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.121 -9.547 -16.280 1.00 0.00 H new ATOM 544 N SER A 34 2.067 -10.816 -16.599 1.00 0.00 N ATOM 545 CA SER A 34 1.201 -11.536 -17.573 1.00 0.00 C ATOM 546 C SER A 34 0.029 -10.637 -17.972 1.00 0.00 C ATOM 547 O SER A 34 -0.275 -9.666 -17.307 1.00 0.00 O ATOM 548 CB SER A 34 0.672 -12.821 -16.931 1.00 0.00 C ATOM 549 OG SER A 34 -0.690 -12.641 -16.561 1.00 0.00 O ATOM 0 H SER A 34 1.640 -10.633 -15.691 1.00 0.00 H new ATOM 0 HA SER A 34 1.780 -11.789 -18.461 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.763 -13.653 -17.629 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.268 -13.074 -16.054 1.00 0.00 H new ATOM 0 HG SER A 34 -1.029 -13.464 -16.151 1.00 0.00 H new ATOM 555 N VAL A 35 -0.634 -10.952 -19.050 1.00 0.00 N ATOM 556 CA VAL A 35 -1.786 -10.114 -19.486 1.00 0.00 C ATOM 557 C VAL A 35 -3.094 -10.869 -19.226 1.00 0.00 C ATOM 558 O VAL A 35 -3.139 -12.082 -19.276 1.00 0.00 O ATOM 559 CB VAL A 35 -1.654 -9.804 -20.981 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.208 -9.419 -21.296 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.036 -11.040 -21.800 1.00 0.00 C ATOM 0 H VAL A 35 -0.428 -11.753 -19.647 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.792 -9.180 -18.924 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.318 -8.979 -21.237 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.114 -9.198 -22.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.068 -8.538 -20.717 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.453 -10.246 -21.037 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.941 -10.816 -22.863 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.373 -11.866 -21.543 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.066 -11.319 -21.579 1.00 0.00 H new ATOM 571 N HIS A 36 -4.157 -10.164 -18.948 1.00 0.00 N ATOM 572 CA HIS A 36 -5.454 -10.851 -18.686 1.00 0.00 C ATOM 573 C HIS A 36 -6.596 -9.830 -18.704 1.00 0.00 C ATOM 574 O HIS A 36 -6.373 -8.636 -18.698 1.00 0.00 O ATOM 575 CB HIS A 36 -5.401 -11.531 -17.316 1.00 0.00 C ATOM 576 CG HIS A 36 -5.315 -10.483 -16.241 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.892 -10.656 -14.993 1.00 0.00 N ATOM 578 CD2 HIS A 36 -4.719 -9.247 -16.211 1.00 0.00 C ATOM 579 CE1 HIS A 36 -5.634 -9.550 -14.271 1.00 0.00 C ATOM 580 NE2 HIS A 36 -4.922 -8.659 -14.966 1.00 0.00 N ATOM 0 H HIS A 36 -4.184 -9.146 -18.891 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.628 -11.598 -19.460 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.288 -12.147 -17.169 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.539 -12.196 -17.261 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.175 -8.799 -17.029 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.963 -9.401 -13.253 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.597 -7.745 -14.652 1.00 0.00 H new ATOM 588 N GLU A 37 -7.817 -10.294 -18.721 1.00 0.00 N ATOM 589 CA GLU A 37 -8.974 -9.354 -18.736 1.00 0.00 C ATOM 590 C GLU A 37 -9.538 -9.222 -17.318 1.00 0.00 C ATOM 591 O GLU A 37 -9.563 -10.171 -16.561 1.00 0.00 O ATOM 592 CB GLU A 37 -10.059 -9.894 -19.669 1.00 0.00 C ATOM 593 CG GLU A 37 -9.614 -9.722 -21.124 1.00 0.00 C ATOM 594 CD GLU A 37 -10.225 -10.833 -21.981 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.334 -11.943 -21.488 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.572 -10.554 -23.116 1.00 0.00 O ATOM 0 H GLU A 37 -8.063 -11.284 -18.725 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.646 -8.377 -19.091 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.245 -10.947 -19.457 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.996 -9.364 -19.499 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.926 -8.747 -21.498 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.526 -9.755 -21.189 1.00 0.00 H new ATOM 603 N GLY A 38 -9.982 -8.051 -16.950 1.00 0.00 N ATOM 604 CA GLY A 38 -10.535 -7.863 -15.578 1.00 0.00 C ATOM 605 C GLY A 38 -11.533 -6.704 -15.578 1.00 0.00 C ATOM 606 O GLY A 38 -11.729 -6.040 -16.576 1.00 0.00 O ATOM 0 H GLY A 38 -9.986 -7.218 -17.538 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.025 -8.778 -15.245 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.727 -7.660 -14.875 1.00 0.00 H new ATOM 610 N ILE A 39 -12.163 -6.452 -14.462 1.00 0.00 N ATOM 611 CA ILE A 39 -13.145 -5.333 -14.395 1.00 0.00 C ATOM 612 C ILE A 39 -12.448 -4.104 -13.811 1.00 0.00 C ATOM 613 O ILE A 39 -11.490 -4.221 -13.070 1.00 0.00 O ATOM 614 CB ILE A 39 -14.319 -5.733 -13.497 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.706 -7.188 -13.781 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.516 -4.824 -13.785 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.840 -7.607 -12.844 1.00 0.00 C ATOM 0 H ILE A 39 -12.040 -6.973 -13.594 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.521 -5.108 -15.393 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.027 -5.630 -12.452 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.019 -7.296 -14.819 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.843 -7.839 -13.639 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.351 -5.109 -13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.243 -3.788 -13.585 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.808 -4.927 -14.830 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.115 -8.642 -13.046 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.510 -7.515 -11.809 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.704 -6.963 -13.008 1.00 0.00 H new ATOM 629 N VAL A 40 -12.899 -2.927 -14.149 1.00 0.00 N ATOM 630 CA VAL A 40 -12.229 -1.703 -13.621 1.00 0.00 C ATOM 631 C VAL A 40 -13.085 -1.046 -12.536 1.00 0.00 C ATOM 632 O VAL A 40 -14.296 -1.121 -12.549 1.00 0.00 O ATOM 633 CB VAL A 40 -12.013 -0.710 -14.764 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.352 0.558 -14.221 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.109 -1.341 -15.824 1.00 0.00 C ATOM 0 H VAL A 40 -13.696 -2.759 -14.763 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.270 -1.988 -13.188 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.975 -0.456 -15.210 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.198 1.266 -15.036 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.996 1.009 -13.466 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.391 0.304 -13.774 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.955 -0.633 -16.639 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.148 -1.595 -15.378 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.579 -2.244 -16.212 1.00 0.00 H new ATOM 645 N TYR A 41 -12.452 -0.393 -11.598 1.00 0.00 N ATOM 646 CA TYR A 41 -13.208 0.288 -10.507 1.00 0.00 C ATOM 647 C TYR A 41 -12.433 1.530 -10.064 1.00 0.00 C ATOM 648 O TYR A 41 -11.337 1.783 -10.522 1.00 0.00 O ATOM 649 CB TYR A 41 -13.365 -0.665 -9.319 1.00 0.00 C ATOM 650 CG TYR A 41 -14.785 -0.607 -8.807 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.757 -1.467 -9.338 1.00 0.00 C ATOM 652 CD2 TYR A 41 -15.130 0.303 -7.799 1.00 0.00 C ATOM 653 CE1 TYR A 41 -17.074 -1.413 -8.863 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.447 0.355 -7.323 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.419 -0.503 -7.855 1.00 0.00 C ATOM 656 OH TYR A 41 -18.716 -0.452 -7.385 1.00 0.00 O ATOM 0 H TYR A 41 -11.438 -0.302 -11.541 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.195 0.577 -10.869 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.118 -1.683 -9.621 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.670 -0.391 -8.525 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.491 -2.171 -10.113 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.381 0.964 -7.389 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.824 -2.073 -9.274 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.713 1.056 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.784 0.232 -6.687 1.00 0.00 H new ATOM 666 N PHE A 42 -12.989 2.307 -9.175 1.00 0.00 N ATOM 667 CA PHE A 42 -12.274 3.530 -8.706 1.00 0.00 C ATOM 668 C PHE A 42 -12.116 3.473 -7.186 1.00 0.00 C ATOM 669 O PHE A 42 -13.078 3.328 -6.458 1.00 0.00 O ATOM 670 CB PHE A 42 -13.080 4.773 -9.092 1.00 0.00 C ATOM 671 CG PHE A 42 -12.288 6.014 -8.746 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.094 6.296 -9.423 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.749 6.882 -7.747 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.362 7.446 -9.102 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.016 8.032 -7.426 1.00 0.00 C ATOM 676 CZ PHE A 42 -10.822 8.314 -8.103 1.00 0.00 C ATOM 0 H PHE A 42 -13.904 2.149 -8.754 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.290 3.579 -9.172 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.305 4.757 -10.159 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.034 4.779 -8.565 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.738 5.627 -10.192 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.669 6.665 -7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.442 7.664 -9.625 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.371 8.701 -6.657 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.257 9.200 -7.855 1.00 0.00 H new ATOM 727 N ILE A 46 -7.000 6.012 -7.338 1.00 0.00 N ATOM 728 CA ILE A 46 -6.367 5.302 -8.485 1.00 0.00 C ATOM 729 C ILE A 46 -7.398 4.389 -9.152 1.00 0.00 C ATOM 730 O ILE A 46 -8.587 4.633 -9.090 1.00 0.00 O ATOM 731 CB ILE A 46 -5.188 4.466 -7.981 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.705 3.322 -7.101 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.250 5.352 -7.159 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.673 2.193 -7.074 1.00 0.00 C ATOM 0 HA ILE A 46 -6.008 6.031 -9.211 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.649 4.053 -8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.892 3.683 -6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.655 2.952 -7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.410 4.758 -6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.879 6.165 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.792 5.765 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.040 1.379 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.509 1.826 -8.087 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.734 2.568 -6.667 1.00 0.00 H new ATOM 746 N PHE A 47 -6.955 3.339 -9.787 1.00 0.00 N ATOM 747 CA PHE A 47 -7.915 2.414 -10.452 1.00 0.00 C ATOM 748 C PHE A 47 -7.942 1.084 -9.696 1.00 0.00 C ATOM 749 O PHE A 47 -7.075 0.797 -8.896 1.00 0.00 O ATOM 750 CB PHE A 47 -7.476 2.170 -11.897 1.00 0.00 C ATOM 751 CG PHE A 47 -8.290 3.040 -12.823 1.00 0.00 C ATOM 752 CD1 PHE A 47 -8.415 4.411 -12.564 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.922 2.477 -13.940 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.172 5.220 -13.423 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.679 3.285 -14.798 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.804 4.657 -14.540 1.00 0.00 C ATOM 0 H PHE A 47 -5.972 3.082 -9.874 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.910 2.858 -10.448 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.415 2.394 -12.009 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.609 1.120 -12.157 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.928 4.845 -11.703 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.825 1.420 -14.139 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.268 6.277 -13.224 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.166 2.851 -15.658 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.387 5.280 -15.202 1.00 0.00 H new ATOM 766 N LYS A 48 -8.933 0.272 -9.942 1.00 0.00 N ATOM 767 CA LYS A 48 -9.012 -1.037 -9.234 1.00 0.00 C ATOM 768 C LYS A 48 -9.372 -2.140 -10.231 1.00 0.00 C ATOM 769 O LYS A 48 -10.411 -2.110 -10.855 1.00 0.00 O ATOM 770 CB LYS A 48 -10.088 -0.964 -8.151 1.00 0.00 C ATOM 771 CG LYS A 48 -9.751 -1.947 -7.028 1.00 0.00 C ATOM 772 CD LYS A 48 -10.720 -3.129 -7.076 1.00 0.00 C ATOM 773 CE LYS A 48 -12.157 -2.616 -6.969 1.00 0.00 C ATOM 774 NZ LYS A 48 -12.894 -3.411 -5.945 1.00 0.00 N ATOM 0 H LYS A 48 -9.689 0.457 -10.601 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.047 -1.260 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.151 0.049 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.063 -1.202 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.725 -2.300 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.817 -1.448 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.589 -3.683 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.508 -3.820 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.158 -1.561 -6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.656 -2.696 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.871 -3.062 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.904 -4.413 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.422 -3.313 -5.024 1.00 0.00 H new ATOM 788 N VAL A 49 -8.522 -3.118 -10.381 1.00 0.00 N ATOM 789 CA VAL A 49 -8.823 -4.221 -11.335 1.00 0.00 C ATOM 790 C VAL A 49 -9.263 -5.460 -10.552 1.00 0.00 C ATOM 791 O VAL A 49 -8.469 -6.098 -9.891 1.00 0.00 O ATOM 792 CB VAL A 49 -7.569 -4.551 -12.146 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.967 -5.304 -13.415 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.853 -3.253 -12.527 1.00 0.00 C ATOM 0 H VAL A 49 -7.634 -3.201 -9.885 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.621 -3.912 -12.011 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.902 -5.173 -11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.074 -5.540 -13.994 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.478 -6.228 -13.145 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.633 -4.682 -14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.959 -3.487 -13.105 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.520 -2.632 -13.125 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.570 -2.715 -11.622 1.00 0.00 H new ATOM 804 N ARG A 50 -10.519 -5.805 -10.619 1.00 0.00 N ATOM 805 CA ARG A 50 -11.001 -7.001 -9.869 1.00 0.00 C ATOM 806 C ARG A 50 -11.082 -8.200 -10.812 1.00 0.00 C ATOM 807 O ARG A 50 -11.565 -8.099 -11.923 1.00 0.00 O ATOM 808 CB ARG A 50 -12.388 -6.716 -9.289 1.00 0.00 C ATOM 809 CG ARG A 50 -12.497 -7.347 -7.899 1.00 0.00 C ATOM 810 CD ARG A 50 -13.943 -7.781 -7.645 1.00 0.00 C ATOM 811 NE ARG A 50 -13.953 -9.151 -7.057 1.00 0.00 N ATOM 812 CZ ARG A 50 -15.082 -9.699 -6.697 1.00 0.00 C ATOM 813 NH1 ARG A 50 -16.207 -9.274 -7.208 1.00 0.00 N ATOM 814 NH2 ARG A 50 -15.087 -10.671 -5.826 1.00 0.00 N ATOM 0 H ARG A 50 -11.231 -5.313 -11.159 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.306 -7.223 -9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.554 -5.641 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.159 -7.120 -9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.830 -8.206 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.182 -6.633 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.431 -7.079 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.507 -7.770 -8.578 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.078 -9.660 -6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.203 -8.514 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.089 -9.702 -6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.209 -11.002 -5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.969 -11.099 -5.545 1.00 0.00 H new ATOM 828 N LEU A 51 -10.617 -9.339 -10.376 1.00 0.00 N ATOM 829 CA LEU A 51 -10.669 -10.547 -11.245 1.00 0.00 C ATOM 830 C LEU A 51 -11.948 -11.331 -10.947 1.00 0.00 C ATOM 831 O LEU A 51 -12.076 -11.957 -9.912 1.00 0.00 O ATOM 832 CB LEU A 51 -9.451 -11.430 -10.966 1.00 0.00 C ATOM 833 CG LEU A 51 -9.011 -12.116 -12.259 1.00 0.00 C ATOM 834 CD1 LEU A 51 -10.220 -12.777 -12.923 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.415 -11.074 -13.209 1.00 0.00 C ATOM 0 H LEU A 51 -10.203 -9.484 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.663 -10.244 -12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.636 -10.827 -10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.695 -12.177 -10.211 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.262 -12.874 -12.032 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.906 -13.266 -13.845 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.647 -13.517 -12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.969 -12.019 -13.151 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.100 -11.561 -14.132 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.166 -10.317 -13.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.554 -10.601 -12.737 1.00 0.00 H new ATOM 847 N LEU A 52 -12.897 -11.303 -11.841 1.00 0.00 N ATOM 848 CA LEU A 52 -14.165 -12.047 -11.604 1.00 0.00 C ATOM 849 C LEU A 52 -13.968 -13.522 -11.957 1.00 0.00 C ATOM 850 O LEU A 52 -13.201 -13.863 -12.837 1.00 0.00 O ATOM 851 CB LEU A 52 -15.275 -11.458 -12.476 1.00 0.00 C ATOM 852 CG LEU A 52 -16.525 -12.335 -12.373 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.093 -12.250 -10.956 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.574 -11.844 -13.373 1.00 0.00 C ATOM 0 H LEU A 52 -12.849 -10.797 -12.725 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.443 -11.960 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.503 -10.442 -12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.944 -11.398 -13.513 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.263 -13.369 -12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.983 -12.875 -10.883 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.346 -12.598 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.356 -11.216 -10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.465 -12.468 -13.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.835 -10.810 -13.148 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.170 -11.904 -14.383 1.00 0.00 H new ATOM 866 N GLY A 53 -14.656 -14.399 -11.280 1.00 0.00 N ATOM 867 CA GLY A 53 -14.510 -15.851 -11.576 1.00 0.00 C ATOM 868 C GLY A 53 -13.419 -16.453 -10.689 1.00 0.00 C ATOM 869 O GLY A 53 -13.381 -17.644 -10.458 1.00 0.00 O ATOM 0 H GLY A 53 -15.314 -14.172 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.456 -16.364 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.257 -15.994 -12.627 1.00 0.00 H new ATOM 873 N TYR A 54 -12.529 -15.638 -10.190 1.00 0.00 N ATOM 874 CA TYR A 54 -11.442 -16.169 -9.319 1.00 0.00 C ATOM 875 C TYR A 54 -11.804 -15.940 -7.850 1.00 0.00 C ATOM 876 O TYR A 54 -11.419 -16.697 -6.980 1.00 0.00 O ATOM 877 CB TYR A 54 -10.132 -15.448 -9.641 1.00 0.00 C ATOM 878 CG TYR A 54 -9.125 -16.446 -10.160 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.678 -17.483 -9.331 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.641 -16.338 -11.470 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.746 -18.412 -9.812 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.709 -17.266 -11.952 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.262 -18.304 -11.122 1.00 0.00 C ATOM 884 OH TYR A 54 -6.343 -19.219 -11.596 1.00 0.00 O ATOM 0 H TYR A 54 -12.508 -14.630 -10.347 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.322 -17.237 -9.500 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.306 -14.670 -10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.746 -14.956 -8.748 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.052 -17.566 -8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.987 -15.539 -12.109 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.401 -19.211 -9.173 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.335 -17.182 -12.962 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.112 -19.001 -12.523 1.00 0.00 H new ATOM 894 N GLU A 55 -12.540 -14.902 -7.566 1.00 0.00 N ATOM 895 CA GLU A 55 -12.923 -14.626 -6.153 1.00 0.00 C ATOM 896 C GLU A 55 -11.662 -14.403 -5.316 1.00 0.00 C ATOM 897 O GLU A 55 -10.617 -14.961 -5.589 1.00 0.00 O ATOM 898 CB GLU A 55 -13.700 -15.819 -5.591 1.00 0.00 C ATOM 899 CG GLU A 55 -15.201 -15.540 -5.682 1.00 0.00 C ATOM 900 CD GLU A 55 -15.974 -16.854 -5.538 1.00 0.00 C ATOM 901 OE1 GLU A 55 -16.223 -17.487 -6.550 1.00 0.00 O ATOM 902 OE2 GLU A 55 -16.305 -17.203 -4.416 1.00 0.00 O ATOM 0 H GLU A 55 -12.893 -14.233 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.548 -13.734 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.453 -16.722 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.415 -15.996 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.500 -14.842 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.437 -15.069 -6.636 1.00 0.00 H new ATOM 909 N GLY A 56 -11.752 -13.594 -4.297 1.00 0.00 N ATOM 910 CA GLY A 56 -10.560 -13.337 -3.440 1.00 0.00 C ATOM 911 C GLY A 56 -9.399 -12.842 -4.304 1.00 0.00 C ATOM 912 O GLY A 56 -8.261 -13.222 -4.108 1.00 0.00 O ATOM 0 H GLY A 56 -12.600 -13.099 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.801 -12.595 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.273 -14.249 -2.917 1.00 0.00 H new ATOM 916 N HIS A 57 -9.672 -11.993 -5.257 1.00 0.00 N ATOM 917 CA HIS A 57 -8.578 -11.473 -6.128 1.00 0.00 C ATOM 918 C HIS A 57 -8.814 -9.989 -6.412 1.00 0.00 C ATOM 919 O HIS A 57 -9.412 -9.622 -7.406 1.00 0.00 O ATOM 920 CB HIS A 57 -8.559 -12.249 -7.446 1.00 0.00 C ATOM 921 CG HIS A 57 -7.151 -12.684 -7.744 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.866 -13.701 -8.642 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.938 -12.251 -7.271 1.00 0.00 C ATOM 924 CE1 HIS A 57 -5.528 -13.845 -8.680 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.914 -12.985 -7.862 1.00 0.00 N ATOM 0 H HIS A 57 -10.604 -11.637 -5.470 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.621 -11.598 -5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.214 -13.118 -7.380 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.938 -11.625 -8.255 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.799 -11.460 -6.549 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.014 -14.567 -9.296 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.911 -12.888 -7.705 1.00 0.00 H new ATOM 933 N GLU A 58 -8.347 -9.131 -5.545 1.00 0.00 N ATOM 934 CA GLU A 58 -8.542 -7.671 -5.762 1.00 0.00 C ATOM 935 C GLU A 58 -7.216 -7.034 -6.180 1.00 0.00 C ATOM 936 O GLU A 58 -6.236 -7.081 -5.462 1.00 0.00 O ATOM 937 CB GLU A 58 -9.033 -7.021 -4.466 1.00 0.00 C ATOM 938 CG GLU A 58 -10.268 -6.165 -4.761 1.00 0.00 C ATOM 939 CD GLU A 58 -11.381 -6.514 -3.770 1.00 0.00 C ATOM 940 OE1 GLU A 58 -11.679 -7.689 -3.634 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.916 -5.600 -3.166 1.00 0.00 O ATOM 0 H GLU A 58 -7.839 -9.380 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.282 -7.519 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.276 -7.788 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.245 -6.405 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.017 -5.107 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.608 -6.338 -5.782 1.00 0.00 H new ATOM 948 N CYS A 59 -7.181 -6.436 -7.337 1.00 0.00 N ATOM 949 CA CYS A 59 -5.924 -5.793 -7.806 1.00 0.00 C ATOM 950 C CYS A 59 -6.156 -4.289 -7.962 1.00 0.00 C ATOM 951 O CYS A 59 -7.270 -3.811 -7.876 1.00 0.00 O ATOM 952 CB CYS A 59 -5.516 -6.387 -9.157 1.00 0.00 C ATOM 953 SG CYS A 59 -5.906 -8.155 -9.189 1.00 0.00 S ATOM 0 H CYS A 59 -7.970 -6.365 -7.979 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.131 -5.970 -7.079 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.040 -5.874 -9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.449 -6.237 -9.324 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.560 -8.655 -10.338 1.00 0.00 H new ATOM 959 N ILE A 60 -5.114 -3.541 -8.191 1.00 0.00 N ATOM 960 CA ILE A 60 -5.275 -2.070 -8.355 1.00 0.00 C ATOM 961 C ILE A 60 -4.465 -1.605 -9.564 1.00 0.00 C ATOM 962 O ILE A 60 -3.317 -1.965 -9.726 1.00 0.00 O ATOM 963 CB ILE A 60 -4.772 -1.356 -7.098 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.293 -1.686 -6.882 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.582 -1.823 -5.888 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.453 -0.422 -7.077 1.00 0.00 C ATOM 0 H ILE A 60 -4.157 -3.885 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.328 -1.833 -8.507 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.890 -0.279 -7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.141 -2.085 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.976 -2.458 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.224 -1.315 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.635 -1.588 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.465 -2.900 -5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.400 -0.658 -6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.596 -0.043 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.764 0.336 -6.358 1.00 0.00 H new ATOM 978 N LEU A 61 -5.047 -0.808 -10.416 1.00 0.00 N ATOM 979 CA LEU A 61 -4.295 -0.332 -11.610 1.00 0.00 C ATOM 980 C LEU A 61 -3.742 1.065 -11.337 1.00 0.00 C ATOM 981 O LEU A 61 -4.445 1.948 -10.883 1.00 0.00 O ATOM 982 CB LEU A 61 -5.225 -0.284 -12.823 1.00 0.00 C ATOM 983 CG LEU A 61 -4.399 -0.010 -14.082 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.619 -1.137 -15.093 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.838 1.319 -14.701 1.00 0.00 C ATOM 0 H LEU A 61 -6.005 -0.467 -10.338 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.473 -1.018 -11.815 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.760 -1.228 -12.923 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.976 0.495 -12.690 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.343 0.041 -13.818 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.031 -0.942 -15.990 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.308 -2.085 -14.654 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.675 -1.188 -15.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.250 1.515 -15.598 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.894 1.266 -14.964 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.683 2.124 -13.983 1.00 0.00 H new ATOM 997 N LEU A 62 -2.484 1.268 -11.607 1.00 0.00 N ATOM 998 CA LEU A 62 -1.875 2.605 -11.362 1.00 0.00 C ATOM 999 C LEU A 62 -0.430 2.604 -11.860 1.00 0.00 C ATOM 1000 O LEU A 62 0.078 3.605 -12.325 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.900 2.908 -9.862 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.449 4.350 -9.623 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -2.537 5.313 -10.102 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -1.203 4.563 -8.128 1.00 0.00 C ATOM 0 H LEU A 62 -1.850 0.565 -11.987 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.442 3.368 -11.896 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.905 2.760 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.245 2.218 -9.330 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.529 4.539 -10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.215 6.340 -9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.715 5.161 -11.167 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.458 5.125 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.881 5.590 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.124 4.373 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.428 3.877 -7.786 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.075 3.448 -16.490 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.752 2.567 -15.332 1.00 0.00 C ATOM 1326 C VAL A 80 -15.720 1.385 -15.296 1.00 0.00 C ATOM 1327 O VAL A 80 -16.791 1.430 -15.866 1.00 0.00 O ATOM 1328 CB VAL A 80 -14.885 3.359 -14.033 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.278 2.556 -12.882 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.146 4.692 -14.171 1.00 0.00 C ATOM 0 HA VAL A 80 -13.731 2.201 -15.438 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.939 3.547 -13.828 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.373 3.121 -11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.804 1.606 -12.784 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.224 2.368 -13.086 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.240 5.258 -13.244 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.092 4.504 -14.376 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.579 5.265 -14.991 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.350 0.330 -14.630 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.246 -0.857 -14.558 1.00 0.00 C ATOM 1342 C GLY A 81 -16.011 -1.750 -15.778 1.00 0.00 C ATOM 1343 O GLY A 81 -15.755 -2.932 -15.651 1.00 0.00 O ATOM 0 H GLY A 81 -14.465 0.237 -14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.053 -1.416 -13.642 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.288 -0.538 -14.523 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.097 -1.191 -16.957 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.887 -1.995 -18.197 1.00 0.00 C ATOM 1349 C ARG A 82 -14.750 -2.997 -17.995 1.00 0.00 C ATOM 1350 O ARG A 82 -13.921 -2.847 -17.119 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.528 -1.059 -19.353 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.793 -0.696 -20.134 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.449 0.348 -21.199 1.00 0.00 C ATOM 1354 NE ARG A 82 -17.626 0.558 -22.087 1.00 0.00 N ATOM 1355 CZ ARG A 82 -18.700 1.138 -21.624 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -18.704 1.649 -20.422 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -19.772 1.206 -22.364 1.00 0.00 N ATOM 0 H ARG A 82 -16.305 -0.205 -17.115 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.805 -2.537 -18.424 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.054 -0.156 -18.969 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.807 -1.541 -20.013 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.212 -1.586 -20.603 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.552 -0.305 -19.457 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.166 1.288 -20.724 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.592 0.016 -21.785 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.593 0.248 -23.058 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.866 1.596 -19.842 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.545 2.102 -20.063 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.770 0.806 -23.302 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.612 1.659 -22.004 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.701 -4.014 -18.812 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.615 -5.024 -18.687 1.00 0.00 C ATOM 1373 C VAL A 83 -12.529 -4.699 -19.712 1.00 0.00 C ATOM 1374 O VAL A 83 -12.816 -4.311 -20.827 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.177 -6.421 -18.960 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -13.029 -7.429 -19.041 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.124 -6.821 -17.826 1.00 0.00 C ATOM 0 H VAL A 83 -15.369 -4.188 -19.563 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.198 -5.001 -17.680 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.721 -6.413 -19.905 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.431 -8.423 -19.235 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.353 -7.147 -19.848 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.484 -7.436 -18.097 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.524 -7.816 -18.020 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.579 -6.827 -16.882 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.944 -6.105 -17.767 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.285 -4.844 -19.349 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.195 -4.527 -20.315 1.00 0.00 C ATOM 1389 C ILE A 84 -9.005 -5.458 -20.090 1.00 0.00 C ATOM 1390 O ILE A 84 -8.977 -6.241 -19.161 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.746 -3.074 -20.123 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.864 -2.959 -18.870 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.971 -2.170 -19.971 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.586 -3.558 -17.660 1.00 0.00 C ATOM 0 H ILE A 84 -10.977 -5.166 -18.432 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.570 -4.666 -21.329 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.172 -2.762 -20.995 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.919 -3.477 -19.032 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.625 -1.913 -18.679 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.647 -1.138 -19.835 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.589 -2.241 -20.866 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.551 -2.486 -19.104 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.952 -3.471 -16.778 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.519 -3.021 -17.490 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.802 -4.609 -17.849 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.013 -5.366 -20.933 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.812 -6.228 -20.772 1.00 0.00 C ATOM 1408 C LYS A 85 -5.705 -5.410 -20.107 1.00 0.00 C ATOM 1409 O LYS A 85 -5.596 -4.217 -20.310 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.338 -6.708 -22.145 1.00 0.00 C ATOM 1411 CG LYS A 85 -4.972 -7.384 -22.004 1.00 0.00 C ATOM 1412 CD LYS A 85 -3.866 -6.348 -22.214 1.00 0.00 C ATOM 1413 CE LYS A 85 -3.454 -6.332 -23.688 1.00 0.00 C ATOM 1414 NZ LYS A 85 -2.778 -7.616 -24.026 1.00 0.00 N ATOM 0 H LYS A 85 -7.984 -4.728 -21.728 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.056 -7.093 -20.156 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.060 -7.407 -22.567 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.270 -5.866 -22.833 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.878 -7.836 -21.017 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.875 -8.188 -22.734 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.216 -5.361 -21.913 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.006 -6.586 -21.588 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.331 -6.192 -24.321 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.784 -5.494 -23.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.046 -7.444 -24.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.338 -8.012 -23.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.478 -8.289 -24.399 1.00 0.00 H new ATOM 1428 N THR A 86 -4.885 -6.036 -19.312 1.00 0.00 N ATOM 1429 CA THR A 86 -3.793 -5.283 -18.635 1.00 0.00 C ATOM 1430 C THR A 86 -2.690 -6.255 -18.218 1.00 0.00 C ATOM 1431 O THR A 86 -2.823 -7.456 -18.352 1.00 0.00 O ATOM 1432 CB THR A 86 -4.352 -4.581 -17.396 1.00 0.00 C ATOM 1433 OG1 THR A 86 -4.894 -5.550 -16.509 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.448 -3.599 -17.815 1.00 0.00 C ATOM 0 H THR A 86 -4.923 -7.033 -19.102 1.00 0.00 H new ATOM 0 HA THR A 86 -3.383 -4.540 -19.319 1.00 0.00 H new ATOM 0 HB THR A 86 -3.552 -4.036 -16.894 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.518 -5.115 -15.891 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.846 -3.099 -16.932 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.031 -2.856 -18.495 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.249 -4.141 -18.317 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.600 -5.745 -17.712 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.489 -6.640 -17.288 1.00 0.00 C ATOM 1444 C ARG A 87 -0.486 -6.761 -15.762 1.00 0.00 C ATOM 1445 O ARG A 87 -1.074 -5.958 -15.063 1.00 0.00 O ATOM 1446 CB ARG A 87 0.842 -6.055 -17.761 1.00 0.00 C ATOM 1447 CG ARG A 87 0.648 -5.392 -19.126 1.00 0.00 C ATOM 1448 CD ARG A 87 0.374 -6.466 -20.181 1.00 0.00 C ATOM 1449 NE ARG A 87 1.615 -7.257 -20.416 1.00 0.00 N ATOM 1450 CZ ARG A 87 2.624 -6.716 -21.041 1.00 0.00 C ATOM 1451 NH1 ARG A 87 3.463 -5.957 -20.390 1.00 0.00 N ATOM 1452 NH2 ARG A 87 2.795 -6.935 -22.317 1.00 0.00 N ATOM 0 H ARG A 87 -1.432 -4.748 -17.575 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.627 -7.628 -17.728 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.209 -5.326 -17.039 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.594 -6.841 -17.830 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.182 -4.687 -19.085 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.537 -4.822 -19.395 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.431 -7.122 -19.848 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.044 -6.002 -21.111 1.00 0.00 H new ATOM 0 HE ARG A 87 1.675 -8.221 -20.088 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.329 -5.787 -19.393 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.252 -5.534 -20.878 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.140 -7.529 -22.825 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.584 -6.512 -22.806 1.00 0.00 H new ATOM 1466 N VAL A 88 0.176 -7.759 -15.240 1.00 0.00 N ATOM 1467 CA VAL A 88 0.211 -7.933 -13.761 1.00 0.00 C ATOM 1468 C VAL A 88 1.494 -7.314 -13.211 1.00 0.00 C ATOM 1469 O VAL A 88 2.589 -7.665 -13.603 1.00 0.00 O ATOM 1470 CB VAL A 88 0.182 -9.425 -13.419 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.053 -9.600 -11.918 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -0.953 -10.101 -14.192 1.00 0.00 C ATOM 0 H VAL A 88 0.692 -8.459 -15.773 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.655 -7.442 -13.317 1.00 0.00 H new ATOM 0 HB VAL A 88 1.134 -9.880 -13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.074 -10.662 -11.674 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.752 -9.116 -11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.005 -9.146 -11.643 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.976 -11.164 -13.950 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.904 -9.645 -13.915 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.789 -9.976 -15.262 1.00 0.00 H new ATOM 1482 N VAL A 89 1.361 -6.382 -12.308 1.00 0.00 N ATOM 1483 CA VAL A 89 2.564 -5.722 -11.735 1.00 0.00 C ATOM 1484 C VAL A 89 3.168 -6.601 -10.636 1.00 0.00 C ATOM 1485 O VAL A 89 4.371 -6.738 -10.532 1.00 0.00 O ATOM 1486 CB VAL A 89 2.164 -4.367 -11.150 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.300 -3.822 -10.284 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.879 -3.386 -12.290 1.00 0.00 C ATOM 0 H VAL A 89 0.469 -6.050 -11.943 1.00 0.00 H new ATOM 0 HA VAL A 89 3.306 -5.577 -12.520 1.00 0.00 H new ATOM 0 HB VAL A 89 1.270 -4.488 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.010 -2.856 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.505 -4.519 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.196 -3.701 -10.893 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.594 -2.419 -11.875 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.774 -3.269 -12.901 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.066 -3.771 -12.906 1.00 0.00 H new ATOM 1498 N ARG A 90 2.348 -7.197 -9.812 1.00 0.00 N ATOM 1499 CA ARG A 90 2.890 -8.061 -8.725 1.00 0.00 C ATOM 1500 C ARG A 90 1.740 -8.612 -7.881 1.00 0.00 C ATOM 1501 O ARG A 90 1.186 -7.927 -7.044 1.00 0.00 O ATOM 1502 CB ARG A 90 3.823 -7.237 -7.836 1.00 0.00 C ATOM 1503 CG ARG A 90 5.123 -8.011 -7.607 1.00 0.00 C ATOM 1504 CD ARG A 90 6.181 -7.074 -7.024 1.00 0.00 C ATOM 1505 NE ARG A 90 6.612 -6.103 -8.067 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.770 -5.508 -7.968 1.00 0.00 C ATOM 1507 NH1 ARG A 90 8.820 -6.184 -7.590 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.877 -4.238 -8.246 1.00 0.00 N ATOM 0 H ARG A 90 1.331 -7.123 -9.845 1.00 0.00 H new ATOM 0 HA ARG A 90 3.443 -8.890 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.037 -6.277 -8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.340 -7.025 -6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.947 -8.845 -6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.476 -8.435 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.777 -6.543 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.037 -7.649 -6.671 1.00 0.00 H new ATOM 0 HE ARG A 90 6.002 -5.902 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.736 -7.177 -7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.725 -5.720 -7.513 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.056 -3.710 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.782 -3.773 -8.169 1.00 0.00 H new ATOM 1522 N ALA A 91 1.378 -9.846 -8.094 1.00 0.00 N ATOM 1523 CA ALA A 91 0.265 -10.446 -7.305 1.00 0.00 C ATOM 1524 C ALA A 91 0.731 -10.695 -5.869 1.00 0.00 C ATOM 1525 O ALA A 91 1.812 -11.199 -5.635 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.152 -11.773 -7.942 1.00 0.00 C ATOM 0 H ALA A 91 1.805 -10.467 -8.782 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.584 -9.762 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.966 -12.213 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.485 -11.597 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.698 -12.456 -7.950 1.00 0.00 H new ATOM 1532 N ASP A 92 -0.076 -10.348 -4.904 1.00 0.00 N ATOM 1533 CA ASP A 92 0.321 -10.567 -3.484 1.00 0.00 C ATOM 1534 C ASP A 92 -0.796 -11.317 -2.754 1.00 0.00 C ATOM 1535 O ASP A 92 -1.023 -11.118 -1.578 1.00 0.00 O ATOM 1536 CB ASP A 92 0.556 -9.216 -2.805 1.00 0.00 C ATOM 1537 CG ASP A 92 1.443 -9.410 -1.574 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.510 -9.983 -1.721 1.00 0.00 O ATOM 1539 OD2 ASP A 92 1.040 -8.984 -0.504 1.00 0.00 O ATOM 0 H ASP A 92 -0.993 -9.922 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 92 1.238 -11.155 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.029 -8.524 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.396 -8.773 -2.514 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.496 -12.176 -3.444 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.598 -12.936 -2.790 1.00 0.00 C ATOM 1546 C GLY A 93 -3.920 -12.196 -2.999 1.00 0.00 C ATOM 1547 O GLY A 93 -4.462 -12.167 -4.085 1.00 0.00 O ATOM 0 H GLY A 93 -1.352 -12.384 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.661 -13.940 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.395 -13.047 -1.725 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.444 -11.596 -1.966 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.730 -10.857 -2.106 1.00 0.00 C ATOM 1553 C LEU A 94 -5.461 -9.488 -2.732 1.00 0.00 C ATOM 1554 O LEU A 94 -6.256 -8.973 -3.493 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.364 -10.674 -0.725 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.237 -11.888 -0.395 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.482 -13.176 -0.737 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -7.572 -11.878 1.098 1.00 0.00 C ATOM 0 H LEU A 94 -4.037 -11.586 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.410 -11.421 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.587 -10.556 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.966 -9.765 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.156 -11.843 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.107 -14.038 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.239 -13.184 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.562 -13.224 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.194 -12.741 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.650 -11.923 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.111 -10.963 1.344 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.341 -8.897 -2.421 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.014 -7.564 -3.001 1.00 0.00 C ATOM 1572 C TYR A 95 -3.007 -7.746 -4.138 1.00 0.00 C ATOM 1573 O TYR A 95 -2.016 -8.434 -3.995 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.406 -6.673 -1.916 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.197 -5.390 -1.812 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.594 -5.418 -1.912 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.531 -4.173 -1.614 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.326 -4.227 -1.814 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -4.264 -2.983 -1.515 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.662 -3.009 -1.615 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.382 -1.837 -1.517 1.00 0.00 O ATOM 0 H TYR A 95 -3.637 -9.280 -1.790 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.920 -7.097 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.411 -7.194 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.365 -6.452 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.106 -6.356 -2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.454 -4.152 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.403 -4.248 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.751 -2.045 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.768 -1.086 -1.379 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.255 -7.142 -5.268 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.308 -7.295 -6.411 1.00 0.00 C ATOM 1593 C VAL A 96 -2.094 -5.945 -7.099 1.00 0.00 C ATOM 1594 O VAL A 96 -2.931 -5.067 -7.041 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.892 -8.283 -7.421 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.948 -8.410 -8.618 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.061 -9.651 -6.756 1.00 0.00 C ATOM 0 H VAL A 96 -4.067 -6.552 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.353 -7.664 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.862 -7.922 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.365 -9.115 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.828 -7.436 -9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.977 -8.770 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.477 -10.356 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.091 -10.012 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.735 -9.561 -5.904 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.982 -5.783 -7.762 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.713 -4.500 -8.471 1.00 0.00 C ATOM 1609 C ASP A 97 -1.045 -4.684 -9.956 1.00 0.00 C ATOM 1610 O ASP A 97 -1.059 -5.790 -10.460 1.00 0.00 O ATOM 1611 CB ASP A 97 0.762 -4.124 -8.310 1.00 0.00 C ATOM 1612 CG ASP A 97 0.992 -3.542 -6.914 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.756 -2.358 -6.740 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.398 -4.291 -6.041 1.00 0.00 O ATOM 0 H ASP A 97 -0.247 -6.485 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.327 -3.703 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.390 -5.003 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.048 -3.397 -9.070 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.327 -3.621 -10.657 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.673 -3.757 -12.102 1.00 0.00 C ATOM 1621 C LEU A 98 -1.052 -2.614 -12.904 1.00 0.00 C ATOM 1622 O LEU A 98 -1.031 -1.474 -12.474 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.196 -3.706 -12.259 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.691 -4.920 -13.050 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.313 -4.760 -14.523 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.051 -6.195 -12.495 1.00 0.00 C ATOM 0 H LEU A 98 -1.333 -2.667 -10.295 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.286 -4.706 -12.473 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.669 -3.686 -11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.485 -2.788 -12.771 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.775 -4.991 -12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.666 -5.625 -15.085 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.774 -3.856 -14.921 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.229 -4.685 -14.615 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.406 -7.056 -13.061 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.967 -6.126 -12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.324 -6.312 -11.446 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.558 -2.910 -14.076 1.00 0.00 N ATOM 1639 CA ARG A 99 0.049 -1.843 -14.919 1.00 0.00 C ATOM 1640 C ARG A 99 -0.629 -1.836 -16.290 1.00 0.00 C ATOM 1641 O ARG A 99 -0.614 -2.816 -17.010 1.00 0.00 O ATOM 1642 CB ARG A 99 1.551 -2.098 -15.084 1.00 0.00 C ATOM 1643 CG ARG A 99 1.790 -3.531 -15.567 1.00 0.00 C ATOM 1644 CD ARG A 99 3.172 -3.998 -15.107 1.00 0.00 C ATOM 1645 NE ARG A 99 3.956 -4.467 -16.284 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.959 -3.758 -16.724 1.00 0.00 C ATOM 1647 NH1 ARG A 99 4.789 -2.500 -17.020 1.00 0.00 N ATOM 1648 NH2 ARG A 99 6.134 -4.309 -16.870 1.00 0.00 N ATOM 0 H ARG A 99 -0.549 -3.844 -14.485 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.093 -0.876 -14.437 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.972 -1.390 -15.798 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.062 -1.936 -14.135 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.020 -4.193 -15.171 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.722 -3.576 -16.654 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.696 -3.182 -14.609 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.072 -4.803 -14.379 1.00 0.00 H new ATOM 0 HE ARG A 99 3.709 -5.342 -16.746 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.871 -2.069 -16.908 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.574 -1.946 -17.364 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.268 -5.294 -16.640 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.918 -3.755 -17.214 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.228 -0.734 -16.655 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.912 -0.656 -17.976 1.00 0.00 C ATOM 1664 C ARG A 100 -0.880 -0.822 -19.093 1.00 0.00 C ATOM 1665 O ARG A 100 0.311 -0.778 -18.863 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.597 0.707 -18.113 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.899 0.547 -18.900 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.495 1.926 -19.187 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.816 1.767 -19.858 1.00 0.00 N ATOM 1670 CZ ARG A 100 -5.872 1.533 -21.141 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -5.608 2.489 -21.990 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.191 0.344 -21.575 1.00 0.00 N ATOM 0 H ARG A 100 -1.273 0.116 -16.093 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.658 -1.448 -18.049 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.804 1.122 -17.127 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.936 1.409 -18.622 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.709 0.020 -19.835 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.608 -0.056 -18.332 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.612 2.484 -18.258 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.820 2.501 -19.821 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.676 1.841 -19.315 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.358 3.418 -21.651 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.652 2.307 -22.993 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.397 -0.403 -20.911 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.235 0.162 -22.578 1.00 0.00 H new