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= -3.25! C(o=-3.3!,f=-3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.376 (180deg=-1.46!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.651 X(o=-0.65,f=-0.42) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.65! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.386 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 5.011 -9.933 -15.991 1.00 0.00 N ATOM 538 CA GLY A 33 5.444 -10.158 -17.399 1.00 0.00 C ATOM 539 C GLY A 33 4.326 -10.865 -18.168 1.00 0.00 C ATOM 540 O GLY A 33 4.555 -11.479 -19.191 1.00 0.00 O ATOM 0 HA2 GLY A 33 5.682 -9.206 -17.874 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.352 -10.761 -17.420 1.00 0.00 H new ATOM 544 N SER A 34 3.118 -10.783 -17.684 1.00 0.00 N ATOM 545 CA SER A 34 1.985 -11.449 -18.387 1.00 0.00 C ATOM 546 C SER A 34 0.788 -10.496 -18.438 1.00 0.00 C ATOM 547 O SER A 34 0.716 -9.536 -17.698 1.00 0.00 O ATOM 548 CB SER A 34 1.595 -12.720 -17.632 1.00 0.00 C ATOM 549 OG SER A 34 2.303 -12.770 -16.400 1.00 0.00 O ATOM 0 H SER A 34 2.866 -10.283 -16.831 1.00 0.00 H new ATOM 0 HA SER A 34 2.286 -11.708 -19.402 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.521 -12.732 -17.448 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.826 -13.599 -18.233 1.00 0.00 H new ATOM 0 HG SER A 34 2.054 -13.583 -15.912 1.00 0.00 H new ATOM 555 N VAL A 35 -0.150 -10.752 -19.308 1.00 0.00 N ATOM 556 CA VAL A 35 -1.339 -9.859 -19.407 1.00 0.00 C ATOM 557 C VAL A 35 -2.605 -10.653 -19.080 1.00 0.00 C ATOM 558 O VAL A 35 -2.579 -11.862 -18.963 1.00 0.00 O ATOM 559 CB VAL A 35 -1.441 -9.300 -20.826 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.099 -8.689 -21.232 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.798 -10.430 -21.793 1.00 0.00 C ATOM 0 H VAL A 35 -0.145 -11.541 -19.955 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.234 -9.037 -18.699 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.215 -8.533 -20.859 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.172 -8.290 -22.244 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.158 -7.885 -20.543 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.675 -9.456 -21.199 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.871 -10.033 -22.805 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.024 -11.196 -21.759 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.754 -10.867 -21.505 1.00 0.00 H new ATOM 571 N HIS A 36 -3.715 -9.982 -18.932 1.00 0.00 N ATOM 572 CA HIS A 36 -4.982 -10.701 -18.614 1.00 0.00 C ATOM 573 C HIS A 36 -6.157 -9.720 -18.676 1.00 0.00 C ATOM 574 O HIS A 36 -5.975 -8.520 -18.739 1.00 0.00 O ATOM 575 CB HIS A 36 -4.892 -11.299 -17.209 1.00 0.00 C ATOM 576 CG HIS A 36 -4.376 -12.709 -17.297 1.00 0.00 C ATOM 577 ND1 HIS A 36 -4.998 -13.676 -18.070 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.298 -13.330 -16.715 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.297 -14.817 -17.935 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.250 -14.661 -17.119 1.00 0.00 N ATOM 0 H HIS A 36 -3.799 -8.969 -19.017 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.136 -11.500 -19.340 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.230 -10.696 -16.587 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.873 -11.288 -16.734 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.595 -12.857 -16.046 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.550 -15.745 -18.426 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.563 -15.366 -16.850 1.00 0.00 H new ATOM 588 N GLU A 37 -7.362 -10.223 -18.658 1.00 0.00 N ATOM 589 CA GLU A 37 -8.548 -9.323 -18.715 1.00 0.00 C ATOM 590 C GLU A 37 -9.103 -9.122 -17.304 1.00 0.00 C ATOM 591 O GLU A 37 -9.037 -10.003 -16.470 1.00 0.00 O ATOM 592 CB GLU A 37 -9.625 -9.953 -19.601 1.00 0.00 C ATOM 593 CG GLU A 37 -9.012 -10.357 -20.943 1.00 0.00 C ATOM 594 CD GLU A 37 -9.793 -11.535 -21.528 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.998 -11.574 -21.337 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.175 -12.380 -22.154 1.00 0.00 O ATOM 0 H GLU A 37 -7.576 -11.219 -18.606 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.253 -8.360 -19.131 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.052 -10.826 -19.107 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.439 -9.246 -19.760 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.034 -9.514 -21.633 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.966 -10.632 -20.809 1.00 0.00 H new ATOM 603 N GLY A 38 -9.647 -7.968 -17.027 1.00 0.00 N ATOM 604 CA GLY A 38 -10.202 -7.713 -15.667 1.00 0.00 C ATOM 605 C GLY A 38 -11.216 -6.568 -15.731 1.00 0.00 C ATOM 606 O GLY A 38 -11.410 -5.956 -16.762 1.00 0.00 O ATOM 0 H GLY A 38 -9.731 -7.191 -17.683 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.680 -8.614 -15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.397 -7.461 -14.976 1.00 0.00 H new ATOM 610 N ILE A 39 -11.862 -6.274 -14.636 1.00 0.00 N ATOM 611 CA ILE A 39 -12.861 -5.167 -14.634 1.00 0.00 C ATOM 612 C ILE A 39 -12.204 -3.903 -14.080 1.00 0.00 C ATOM 613 O ILE A 39 -11.289 -3.969 -13.285 1.00 0.00 O ATOM 614 CB ILE A 39 -14.049 -5.556 -13.752 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.586 -6.920 -14.193 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.153 -4.506 -13.890 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.006 -7.727 -12.963 1.00 0.00 C ATOM 0 H ILE A 39 -11.742 -6.752 -13.743 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.211 -4.983 -15.650 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.727 -5.610 -12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.436 -6.789 -14.862 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.821 -7.460 -14.751 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.999 -4.783 -13.262 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.772 -3.534 -13.577 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.476 -4.452 -14.930 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.388 -8.698 -13.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.145 -7.870 -12.310 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.785 -7.188 -12.423 1.00 0.00 H new ATOM 629 N VAL A 40 -12.652 -2.750 -14.497 1.00 0.00 N ATOM 630 CA VAL A 40 -12.031 -1.488 -13.996 1.00 0.00 C ATOM 631 C VAL A 40 -12.889 -0.883 -12.882 1.00 0.00 C ATOM 632 O VAL A 40 -14.097 -0.994 -12.885 1.00 0.00 O ATOM 633 CB VAL A 40 -11.916 -0.487 -15.146 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.289 0.811 -14.634 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.034 -1.078 -16.248 1.00 0.00 C ATOM 0 H VAL A 40 -13.417 -2.626 -15.160 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.041 -1.713 -13.600 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.908 -0.277 -15.545 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.207 1.524 -15.454 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.916 1.232 -13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.297 0.603 -14.234 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.951 -0.366 -17.069 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.042 -1.287 -15.847 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.480 -2.003 -16.614 1.00 0.00 H new ATOM 645 N TYR A 41 -12.271 -0.239 -11.930 1.00 0.00 N ATOM 646 CA TYR A 41 -13.051 0.379 -10.821 1.00 0.00 C ATOM 647 C TYR A 41 -12.329 1.635 -10.329 1.00 0.00 C ATOM 648 O TYR A 41 -11.220 1.924 -10.734 1.00 0.00 O ATOM 649 CB TYR A 41 -13.185 -0.618 -9.669 1.00 0.00 C ATOM 650 CG TYR A 41 -14.574 -0.523 -9.085 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.693 -0.698 -9.910 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.745 -0.256 -7.720 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.982 -0.605 -9.370 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.035 -0.164 -7.180 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.154 -0.339 -8.005 1.00 0.00 C ATOM 656 OH TYR A 41 -18.425 -0.249 -7.474 1.00 0.00 O ATOM 0 H TYR A 41 -11.260 -0.114 -11.872 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.044 0.648 -11.182 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.997 -1.631 -10.026 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.440 -0.407 -8.902 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.562 -0.905 -10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.883 -0.121 -7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.844 -0.738 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.167 0.042 -6.128 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.366 -0.061 -6.514 1.00 0.00 H new ATOM 666 N PHE A 42 -12.951 2.389 -9.462 1.00 0.00 N ATOM 667 CA PHE A 42 -12.300 3.629 -8.951 1.00 0.00 C ATOM 668 C PHE A 42 -12.141 3.535 -7.431 1.00 0.00 C ATOM 669 O PHE A 42 -13.049 3.140 -6.727 1.00 0.00 O ATOM 670 CB PHE A 42 -13.169 4.839 -9.297 1.00 0.00 C ATOM 671 CG PHE A 42 -12.284 6.006 -9.667 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.302 6.451 -8.773 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.445 6.642 -10.905 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.482 7.534 -9.115 1.00 0.00 C ATOM 675 CE2 PHE A 42 -11.624 7.724 -11.248 1.00 0.00 C ATOM 676 CZ PHE A 42 -10.643 8.170 -10.353 1.00 0.00 C ATOM 0 H PHE A 42 -13.880 2.200 -9.086 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.319 3.740 -9.412 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.835 4.597 -10.125 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.800 5.102 -8.448 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.177 5.959 -7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.202 6.298 -11.595 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.726 7.879 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.747 8.214 -12.202 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.010 9.005 -10.617 1.00 0.00 H new ATOM 727 N ILE A 46 -6.871 6.234 -7.402 1.00 0.00 N ATOM 728 CA ILE A 46 -6.361 5.684 -8.688 1.00 0.00 C ATOM 729 C ILE A 46 -7.404 4.729 -9.273 1.00 0.00 C ATOM 730 O ILE A 46 -8.591 4.919 -9.102 1.00 0.00 O ATOM 731 CB ILE A 46 -5.056 4.928 -8.434 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.333 3.721 -7.534 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.056 5.858 -7.744 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.133 2.773 -7.570 1.00 0.00 C ATOM 0 HA ILE A 46 -6.176 6.496 -9.391 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.642 4.587 -9.383 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.519 4.051 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.231 3.202 -7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.125 5.321 -7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.859 6.719 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.470 6.198 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.329 1.913 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.968 2.434 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.245 3.296 -7.214 1.00 0.00 H new ATOM 746 N PHE A 47 -6.977 3.705 -9.960 1.00 0.00 N ATOM 747 CA PHE A 47 -7.958 2.751 -10.544 1.00 0.00 C ATOM 748 C PHE A 47 -7.845 1.408 -9.822 1.00 0.00 C ATOM 749 O PHE A 47 -6.977 1.208 -8.996 1.00 0.00 O ATOM 750 CB PHE A 47 -7.659 2.559 -12.032 1.00 0.00 C ATOM 751 CG PHE A 47 -8.568 3.445 -12.849 1.00 0.00 C ATOM 752 CD1 PHE A 47 -8.727 4.793 -12.506 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.252 2.917 -13.953 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.569 5.616 -13.266 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.095 3.739 -14.713 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.254 5.088 -14.370 1.00 0.00 C ATOM 0 H PHE A 47 -5.997 3.489 -10.141 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.967 3.145 -10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.617 2.802 -12.238 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.805 1.515 -12.311 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.200 5.199 -11.655 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.129 1.877 -14.218 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.690 6.656 -13.002 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.622 3.332 -15.563 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.904 5.721 -14.956 1.00 0.00 H new ATOM 766 N LYS A 48 -8.716 0.486 -10.122 1.00 0.00 N ATOM 767 CA LYS A 48 -8.652 -0.840 -9.446 1.00 0.00 C ATOM 768 C LYS A 48 -9.140 -1.929 -10.403 1.00 0.00 C ATOM 769 O LYS A 48 -10.216 -1.841 -10.962 1.00 0.00 O ATOM 770 CB LYS A 48 -9.538 -0.822 -8.199 1.00 0.00 C ATOM 771 CG LYS A 48 -8.658 -0.881 -6.948 1.00 0.00 C ATOM 772 CD LYS A 48 -9.416 -1.589 -5.824 1.00 0.00 C ATOM 773 CE LYS A 48 -8.620 -1.476 -4.521 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.081 -0.094 -4.385 1.00 0.00 N ATOM 0 H LYS A 48 -9.467 0.592 -10.804 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.622 -1.048 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.148 0.082 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.224 -1.669 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.732 -1.412 -7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.382 0.126 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.403 -1.143 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.570 -2.638 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.259 -1.714 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.803 -2.198 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.844 0.090 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.226 0.004 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.797 0.591 -4.702 1.00 0.00 H new ATOM 788 N VAL A 49 -8.358 -2.954 -10.592 1.00 0.00 N ATOM 789 CA VAL A 49 -8.775 -4.050 -11.508 1.00 0.00 C ATOM 790 C VAL A 49 -9.283 -5.233 -10.682 1.00 0.00 C ATOM 791 O VAL A 49 -8.529 -5.886 -9.989 1.00 0.00 O ATOM 792 CB VAL A 49 -7.577 -4.494 -12.349 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.070 -5.201 -13.613 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.751 -3.267 -12.743 1.00 0.00 C ATOM 0 H VAL A 49 -7.447 -3.080 -10.151 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.569 -3.695 -12.165 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.961 -5.180 -11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.215 -5.516 -14.211 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.660 -6.074 -13.335 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.687 -4.517 -14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.896 -3.581 -13.342 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.370 -2.583 -13.324 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.398 -2.762 -11.844 1.00 0.00 H new ATOM 804 N ARG A 50 -10.557 -5.514 -10.745 1.00 0.00 N ATOM 805 CA ARG A 50 -11.104 -6.656 -9.958 1.00 0.00 C ATOM 806 C ARG A 50 -11.237 -7.877 -10.868 1.00 0.00 C ATOM 807 O ARG A 50 -11.778 -7.799 -11.953 1.00 0.00 O ATOM 808 CB ARG A 50 -12.482 -6.284 -9.402 1.00 0.00 C ATOM 809 CG ARG A 50 -12.557 -6.664 -7.921 1.00 0.00 C ATOM 810 CD ARG A 50 -13.169 -8.060 -7.781 1.00 0.00 C ATOM 811 NE ARG A 50 -12.614 -8.727 -6.571 1.00 0.00 N ATOM 812 CZ ARG A 50 -13.053 -8.401 -5.386 1.00 0.00 C ATOM 813 NH1 ARG A 50 -12.610 -7.320 -4.800 1.00 0.00 N ATOM 814 NH2 ARG A 50 -13.935 -9.151 -4.787 1.00 0.00 N ATOM 0 H ARG A 50 -11.240 -5.004 -11.305 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.431 -6.884 -9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.658 -5.215 -9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.262 -6.801 -9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.561 -6.646 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.159 -5.936 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.254 -7.987 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.952 -8.654 -8.669 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.890 -9.439 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.921 -6.731 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.953 -7.065 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.283 -9.994 -5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.277 -8.895 -3.861 1.00 0.00 H new ATOM 828 N LEU A 51 -10.743 -9.007 -10.439 1.00 0.00 N ATOM 829 CA LEU A 51 -10.844 -10.227 -11.289 1.00 0.00 C ATOM 830 C LEU A 51 -12.109 -11.002 -10.923 1.00 0.00 C ATOM 831 O LEU A 51 -12.112 -11.820 -10.023 1.00 0.00 O ATOM 832 CB LEU A 51 -9.615 -11.109 -11.061 1.00 0.00 C ATOM 833 CG LEU A 51 -8.611 -10.886 -12.193 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.287 -10.388 -11.613 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.377 -12.204 -12.934 1.00 0.00 C ATOM 0 H LEU A 51 -10.276 -9.138 -9.541 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.891 -9.937 -12.339 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.156 -10.871 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.909 -12.158 -11.022 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.006 -10.143 -12.886 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.573 -10.230 -12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.452 -9.449 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.892 -11.130 -10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.662 -12.046 -13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.983 -12.947 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.320 -12.560 -13.350 1.00 0.00 H new ATOM 847 N LEU A 52 -13.188 -10.755 -11.616 1.00 0.00 N ATOM 848 CA LEU A 52 -14.452 -11.479 -11.311 1.00 0.00 C ATOM 849 C LEU A 52 -14.282 -12.963 -11.642 1.00 0.00 C ATOM 850 O LEU A 52 -13.633 -13.323 -12.605 1.00 0.00 O ATOM 851 CB LEU A 52 -15.591 -10.897 -12.151 1.00 0.00 C ATOM 852 CG LEU A 52 -16.812 -11.813 -12.057 1.00 0.00 C ATOM 853 CD1 LEU A 52 -18.068 -10.972 -11.824 1.00 0.00 C ATOM 854 CD2 LEU A 52 -16.959 -12.597 -13.364 1.00 0.00 C ATOM 0 H LEU A 52 -13.247 -10.082 -12.380 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.688 -11.366 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.844 -9.898 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.277 -10.797 -13.190 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.683 -12.507 -11.226 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.937 -11.627 -11.757 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.964 -10.412 -10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.200 -10.277 -12.654 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.829 -13.251 -13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.088 -11.901 -14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.065 -13.198 -13.531 1.00 0.00 H new ATOM 866 N GLY A 53 -14.861 -13.827 -10.854 1.00 0.00 N ATOM 867 CA GLY A 53 -14.731 -15.287 -11.126 1.00 0.00 C ATOM 868 C GLY A 53 -13.867 -15.934 -10.043 1.00 0.00 C ATOM 869 O GLY A 53 -14.172 -16.998 -9.544 1.00 0.00 O ATOM 0 H GLY A 53 -15.418 -13.586 -10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.716 -15.753 -11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.283 -15.446 -12.107 1.00 0.00 H new ATOM 873 N TYR A 54 -12.788 -15.299 -9.676 1.00 0.00 N ATOM 874 CA TYR A 54 -11.904 -15.876 -8.624 1.00 0.00 C ATOM 875 C TYR A 54 -12.378 -15.406 -7.249 1.00 0.00 C ATOM 876 O TYR A 54 -12.175 -16.068 -6.251 1.00 0.00 O ATOM 877 CB TYR A 54 -10.465 -15.409 -8.854 1.00 0.00 C ATOM 878 CG TYR A 54 -9.813 -16.278 -9.901 1.00 0.00 C ATOM 879 CD1 TYR A 54 -10.275 -16.249 -11.223 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.743 -17.112 -9.551 1.00 0.00 C ATOM 881 CE1 TYR A 54 -9.669 -17.057 -12.195 1.00 0.00 C ATOM 882 CE2 TYR A 54 -8.137 -17.919 -10.523 1.00 0.00 C ATOM 883 CZ TYR A 54 -8.599 -17.891 -11.846 1.00 0.00 C ATOM 884 OH TYR A 54 -8.002 -18.685 -12.803 1.00 0.00 O ATOM 0 H TYR A 54 -12.480 -14.405 -10.059 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.944 -16.964 -8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.457 -14.367 -9.175 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.902 -15.460 -7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.098 -15.604 -11.493 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.385 -17.133 -8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.027 -17.037 -13.214 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.313 -18.563 -10.253 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.276 -19.200 -12.394 1.00 0.00 H new ATOM 894 N GLU A 55 -13.005 -14.264 -7.188 1.00 0.00 N ATOM 895 CA GLU A 55 -13.488 -13.749 -5.876 1.00 0.00 C ATOM 896 C GLU A 55 -12.293 -13.531 -4.949 1.00 0.00 C ATOM 897 O GLU A 55 -11.528 -14.436 -4.683 1.00 0.00 O ATOM 898 CB GLU A 55 -14.444 -14.764 -5.247 1.00 0.00 C ATOM 899 CG GLU A 55 -15.121 -14.135 -4.028 1.00 0.00 C ATOM 900 CD GLU A 55 -15.951 -15.195 -3.302 1.00 0.00 C ATOM 901 OE1 GLU A 55 -16.731 -15.862 -3.961 1.00 0.00 O ATOM 902 OE2 GLU A 55 -15.790 -15.322 -2.100 1.00 0.00 O ATOM 0 H GLU A 55 -13.204 -13.665 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.012 -12.805 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.194 -15.073 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.898 -15.660 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.370 -13.722 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.759 -13.308 -4.339 1.00 0.00 H new ATOM 909 N GLY A 56 -12.124 -12.336 -4.454 1.00 0.00 N ATOM 910 CA GLY A 56 -10.976 -12.062 -3.546 1.00 0.00 C ATOM 911 C GLY A 56 -9.830 -11.442 -4.347 1.00 0.00 C ATOM 912 O GLY A 56 -9.154 -10.546 -3.885 1.00 0.00 O ATOM 0 H GLY A 56 -12.731 -11.538 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.283 -11.387 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.645 -12.986 -3.072 1.00 0.00 H new ATOM 916 N HIS A 57 -9.606 -11.912 -5.545 1.00 0.00 N ATOM 917 CA HIS A 57 -8.502 -11.345 -6.371 1.00 0.00 C ATOM 918 C HIS A 57 -8.751 -9.853 -6.593 1.00 0.00 C ATOM 919 O HIS A 57 -9.373 -9.451 -7.559 1.00 0.00 O ATOM 920 CB HIS A 57 -8.449 -12.064 -7.721 1.00 0.00 C ATOM 921 CG HIS A 57 -7.357 -13.098 -7.692 1.00 0.00 C ATOM 922 ND1 HIS A 57 -7.253 -14.093 -8.652 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.316 -13.306 -6.822 1.00 0.00 C ATOM 924 CE1 HIS A 57 -6.184 -14.848 -8.338 1.00 0.00 C ATOM 925 NE2 HIS A 57 -5.576 -14.412 -7.232 1.00 0.00 N ATOM 0 H HIS A 57 -10.138 -12.662 -5.986 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.552 -11.482 -5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.408 -12.537 -7.932 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.265 -11.347 -8.521 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.103 -12.703 -5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.857 -15.703 -8.911 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.748 -14.805 -6.784 1.00 0.00 H new ATOM 933 N GLU A 58 -8.269 -9.029 -5.702 1.00 0.00 N ATOM 934 CA GLU A 58 -8.474 -7.562 -5.852 1.00 0.00 C ATOM 935 C GLU A 58 -7.177 -6.914 -6.336 1.00 0.00 C ATOM 936 O GLU A 58 -6.238 -6.732 -5.583 1.00 0.00 O ATOM 937 CB GLU A 58 -8.874 -6.963 -4.501 1.00 0.00 C ATOM 938 CG GLU A 58 -8.916 -5.437 -4.611 1.00 0.00 C ATOM 939 CD GLU A 58 -9.597 -4.854 -3.371 1.00 0.00 C ATOM 940 OE1 GLU A 58 -8.930 -4.724 -2.358 1.00 0.00 O ATOM 941 OE2 GLU A 58 -10.774 -4.546 -3.456 1.00 0.00 O ATOM 0 H GLU A 58 -7.741 -9.310 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.265 -7.376 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.849 -7.343 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.161 -7.263 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.905 -5.041 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.458 -5.141 -5.509 1.00 0.00 H new ATOM 948 N CYS A 59 -7.118 -6.564 -7.590 1.00 0.00 N ATOM 949 CA CYS A 59 -5.887 -5.927 -8.127 1.00 0.00 C ATOM 950 C CYS A 59 -6.089 -4.413 -8.178 1.00 0.00 C ATOM 951 O CYS A 59 -7.200 -3.928 -8.249 1.00 0.00 O ATOM 952 CB CYS A 59 -5.615 -6.457 -9.537 1.00 0.00 C ATOM 953 SG CYS A 59 -5.601 -8.267 -9.507 1.00 0.00 S ATOM 0 H CYS A 59 -7.871 -6.692 -8.266 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.039 -6.161 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.381 -6.100 -10.226 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.659 -6.081 -9.901 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.372 -8.719 -10.704 1.00 0.00 H new ATOM 959 N ILE A 60 -5.025 -3.663 -8.141 1.00 0.00 N ATOM 960 CA ILE A 60 -5.160 -2.181 -8.187 1.00 0.00 C ATOM 961 C ILE A 60 -4.453 -1.650 -9.432 1.00 0.00 C ATOM 962 O ILE A 60 -3.362 -2.064 -9.757 1.00 0.00 O ATOM 963 CB ILE A 60 -4.514 -1.571 -6.942 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.018 -1.895 -6.938 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.166 -2.154 -5.688 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.361 -1.267 -5.708 1.00 0.00 C ATOM 0 H ILE A 60 -4.068 -4.011 -8.081 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.216 -1.912 -8.219 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.654 -0.490 -6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.869 -2.975 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.551 -1.515 -7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.704 -1.718 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.232 -1.925 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.027 -3.235 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.296 -1.498 -5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.497 -0.186 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.821 -1.668 -4.805 1.00 0.00 H new ATOM 978 N LEU A 61 -5.060 -0.735 -10.130 1.00 0.00 N ATOM 979 CA LEU A 61 -4.404 -0.187 -11.349 1.00 0.00 C ATOM 980 C LEU A 61 -3.721 1.133 -10.997 1.00 0.00 C ATOM 981 O LEU A 61 -4.369 2.129 -10.725 1.00 0.00 O ATOM 982 CB LEU A 61 -5.452 0.049 -12.438 1.00 0.00 C ATOM 983 CG LEU A 61 -4.763 0.132 -13.801 1.00 0.00 C ATOM 984 CD1 LEU A 61 -3.999 -1.165 -14.069 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.817 0.335 -14.892 1.00 0.00 C ATOM 0 H LEU A 61 -5.976 -0.344 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.663 -0.897 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.182 -0.761 -12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.998 0.971 -12.238 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.067 0.971 -13.804 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.509 -1.104 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.249 -1.312 -13.292 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.694 -2.004 -14.065 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.328 0.394 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.513 -0.504 -14.887 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.363 1.260 -14.703 1.00 0.00 H new ATOM 997 N LEU A 62 -2.415 1.147 -10.993 1.00 0.00 N ATOM 998 CA LEU A 62 -1.686 2.401 -10.653 1.00 0.00 C ATOM 999 C LEU A 62 -0.836 2.833 -11.847 1.00 0.00 C ATOM 1000 O LEU A 62 -0.714 4.005 -12.143 1.00 0.00 O ATOM 1001 CB LEU A 62 -0.780 2.153 -9.445 1.00 0.00 C ATOM 1002 CG LEU A 62 0.059 3.403 -9.170 1.00 0.00 C ATOM 1003 CD1 LEU A 62 0.439 3.449 -7.689 1.00 0.00 C ATOM 1004 CD2 LEU A 62 1.331 3.359 -10.020 1.00 0.00 C ATOM 0 H LEU A 62 -1.823 0.345 -11.210 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.403 3.186 -10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.382 1.907 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.129 1.300 -9.635 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.520 4.291 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.037 4.340 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.466 3.479 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.017 2.561 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.930 4.249 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.908 2.470 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.062 3.327 -11.076 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.503 3.582 -16.544 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.968 2.671 -15.497 1.00 0.00 C ATOM 1326 C VAL A 80 -15.801 1.390 -15.477 1.00 0.00 C ATOM 1327 O VAL A 80 -16.878 1.332 -16.036 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.055 3.359 -14.135 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.335 2.510 -13.086 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.392 4.736 -14.219 1.00 0.00 C ATOM 0 HA VAL A 80 -13.928 2.428 -15.714 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.101 3.474 -13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.397 3.001 -12.115 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.805 1.528 -13.027 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.288 2.394 -13.367 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.453 5.229 -13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.346 4.619 -14.502 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.905 5.342 -14.966 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.313 0.359 -14.845 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.085 -0.914 -14.806 1.00 0.00 C ATOM 1342 C GLY A 81 -15.764 -1.735 -16.054 1.00 0.00 C ATOM 1343 O GLY A 81 -15.489 -2.917 -15.975 1.00 0.00 O ATOM 0 H GLY A 81 -14.418 0.342 -14.356 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.832 -1.479 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.154 -0.704 -14.759 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.796 -1.113 -17.205 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.497 -1.844 -18.471 1.00 0.00 C ATOM 1349 C ARG A 82 -14.353 -2.834 -18.246 1.00 0.00 C ATOM 1350 O ARG A 82 -13.586 -2.713 -17.313 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.093 -0.840 -19.553 1.00 0.00 C ATOM 1352 CG ARG A 82 -15.815 -1.177 -20.859 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.672 0.015 -21.290 1.00 0.00 C ATOM 1354 NE ARG A 82 -17.987 -0.472 -21.794 1.00 0.00 N ATOM 1355 CZ ARG A 82 -18.046 -1.548 -22.531 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -17.674 -1.504 -23.782 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -18.478 -2.667 -22.018 1.00 0.00 N ATOM 0 H ARG A 82 -16.018 -0.124 -17.322 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.386 -2.390 -18.787 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.345 0.172 -19.237 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.014 -0.867 -19.704 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.090 -1.417 -21.636 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.441 -2.059 -20.724 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.821 0.692 -20.449 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.160 0.582 -22.068 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.841 0.035 -21.563 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.337 -0.629 -24.183 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.720 -2.345 -24.358 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.770 -2.701 -21.041 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.524 -3.508 -22.594 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.234 -3.813 -19.099 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.142 -4.812 -18.939 1.00 0.00 C ATOM 1373 C VAL A 83 -11.986 -4.440 -19.868 1.00 0.00 C ATOM 1374 O VAL A 83 -12.191 -3.997 -20.982 1.00 0.00 O ATOM 1375 CB VAL A 83 -13.663 -6.202 -19.304 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.603 -7.251 -18.964 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.940 -6.490 -18.510 1.00 0.00 C ATOM 0 H VAL A 83 -14.847 -3.964 -19.900 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.797 -4.818 -17.905 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.881 -6.241 -20.371 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.975 -8.242 -19.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.693 -7.045 -19.528 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.384 -7.215 -17.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.314 -7.481 -18.769 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.721 -6.452 -17.443 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.696 -5.743 -18.753 1.00 0.00 H new ATOM 1387 N ILE A 84 -10.774 -4.609 -19.421 1.00 0.00 N ATOM 1388 CA ILE A 84 -9.614 -4.254 -20.285 1.00 0.00 C ATOM 1389 C ILE A 84 -8.497 -5.284 -20.103 1.00 0.00 C ATOM 1390 O ILE A 84 -8.512 -6.080 -19.183 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.100 -2.860 -19.903 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.272 -2.944 -18.615 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.289 -1.924 -19.678 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.143 -3.487 -17.480 1.00 0.00 C ATOM 0 H ILE A 84 -10.536 -4.976 -18.499 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.929 -4.251 -21.329 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.475 -2.476 -20.709 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.409 -3.592 -18.767 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.888 -1.958 -18.353 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.926 -0.933 -19.406 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.877 -1.857 -20.593 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -10.913 -2.315 -18.874 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.553 -3.546 -16.565 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.992 -2.821 -17.322 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.505 -4.481 -17.743 1.00 0.00 H new ATOM 1406 N LYS A 85 -7.526 -5.268 -20.974 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.399 -6.235 -20.859 1.00 0.00 C ATOM 1408 C LYS A 85 -5.177 -5.507 -20.297 1.00 0.00 C ATOM 1409 O LYS A 85 -4.548 -4.718 -20.972 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.065 -6.801 -22.243 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.343 -6.894 -23.081 1.00 0.00 C ATOM 1412 CD LYS A 85 -7.276 -8.129 -23.982 1.00 0.00 C ATOM 1413 CE LYS A 85 -8.324 -8.011 -25.091 1.00 0.00 C ATOM 1414 NZ LYS A 85 -9.412 -9.002 -24.855 1.00 0.00 N ATOM 0 H LYS A 85 -7.465 -4.624 -21.763 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.681 -7.053 -20.196 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.336 -6.162 -22.742 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.610 -7.787 -22.144 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.214 -6.954 -22.429 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.459 -5.995 -23.687 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.281 -8.221 -24.416 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.453 -9.030 -23.395 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.735 -7.002 -25.111 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.862 -8.187 -26.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.124 -8.922 -25.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.013 -9.962 -24.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.859 -8.814 -23.935 1.00 0.00 H new ATOM 1428 N THR A 86 -4.840 -5.760 -19.063 1.00 0.00 N ATOM 1429 CA THR A 86 -3.664 -5.073 -18.458 1.00 0.00 C ATOM 1430 C THR A 86 -2.610 -6.109 -18.067 1.00 0.00 C ATOM 1431 O THR A 86 -2.827 -7.300 -18.167 1.00 0.00 O ATOM 1432 CB THR A 86 -4.107 -4.308 -17.209 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.124 -5.043 -16.542 1.00 0.00 O ATOM 1434 CG2 THR A 86 -4.648 -2.936 -17.612 1.00 0.00 C ATOM 0 H THR A 86 -5.327 -6.412 -18.448 1.00 0.00 H new ATOM 0 HA THR A 86 -3.240 -4.378 -19.183 1.00 0.00 H new ATOM 0 HB THR A 86 -3.255 -4.177 -16.542 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.519 -4.489 -15.837 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.963 -2.393 -16.721 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.867 -2.373 -18.123 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.500 -3.063 -18.280 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.469 -5.663 -17.617 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.404 -6.621 -17.214 1.00 0.00 C ATOM 1444 C ARG A 87 -0.428 -6.790 -15.694 1.00 0.00 C ATOM 1445 O ARG A 87 -0.998 -5.988 -14.978 1.00 0.00 O ATOM 1446 CB ARG A 87 0.961 -6.082 -17.649 1.00 0.00 C ATOM 1447 CG ARG A 87 1.124 -6.267 -19.159 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.011 -5.545 -19.887 1.00 0.00 C ATOM 1449 NE ARG A 87 0.450 -5.135 -21.243 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.294 -5.378 -22.287 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.592 -5.427 -22.168 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.261 -5.572 -23.453 1.00 0.00 N ATOM 0 H ARG A 87 -1.230 -4.677 -17.512 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.579 -7.585 -17.692 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.047 -5.027 -17.390 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.757 -6.606 -17.119 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.087 -5.872 -19.483 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.114 -7.328 -19.409 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.879 -6.199 -19.969 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.324 -4.670 -19.318 1.00 0.00 H new ATOM 0 HE ARG A 87 1.348 -4.664 -21.355 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.027 -5.275 -21.258 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.172 -5.617 -22.985 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.276 -5.534 -23.547 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.320 -5.762 -24.269 1.00 0.00 H new ATOM 1466 N VAL A 88 0.188 -7.825 -15.194 1.00 0.00 N ATOM 1467 CA VAL A 88 0.194 -8.048 -13.722 1.00 0.00 C ATOM 1468 C VAL A 88 1.492 -7.498 -13.134 1.00 0.00 C ATOM 1469 O VAL A 88 2.573 -7.790 -13.605 1.00 0.00 O ATOM 1470 CB VAL A 88 0.102 -9.547 -13.435 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.332 -9.797 -11.945 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.286 -10.058 -13.829 1.00 0.00 C ATOM 0 H VAL A 88 0.687 -8.526 -15.742 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.657 -7.538 -13.271 1.00 0.00 H new ATOM 0 HB VAL A 88 0.861 -10.074 -14.013 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.266 -10.866 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.320 -9.434 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.427 -9.270 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.352 -11.127 -13.625 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.045 -9.531 -13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.451 -9.881 -14.892 1.00 0.00 H new ATOM 1482 N VAL A 89 1.391 -6.696 -12.112 1.00 0.00 N ATOM 1483 CA VAL A 89 2.617 -6.119 -11.499 1.00 0.00 C ATOM 1484 C VAL A 89 3.194 -7.100 -10.475 1.00 0.00 C ATOM 1485 O VAL A 89 4.393 -7.193 -10.301 1.00 0.00 O ATOM 1486 CB VAL A 89 2.264 -4.806 -10.804 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.458 -4.320 -9.980 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.910 -3.752 -11.856 1.00 0.00 C ATOM 0 H VAL A 89 0.513 -6.416 -11.675 1.00 0.00 H new ATOM 0 HA VAL A 89 3.358 -5.935 -12.277 1.00 0.00 H new ATOM 0 HB VAL A 89 1.411 -4.966 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.202 -3.383 -9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.711 -5.069 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.313 -4.162 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.658 -2.814 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.763 -3.596 -12.516 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.056 -4.094 -12.441 1.00 0.00 H new ATOM 1498 N ARG A 90 2.351 -7.830 -9.795 1.00 0.00 N ATOM 1499 CA ARG A 90 2.848 -8.798 -8.785 1.00 0.00 C ATOM 1500 C ARG A 90 1.698 -9.193 -7.858 1.00 0.00 C ATOM 1501 O ARG A 90 1.178 -8.386 -7.109 1.00 0.00 O ATOM 1502 CB ARG A 90 3.975 -8.163 -7.965 1.00 0.00 C ATOM 1503 CG ARG A 90 5.290 -8.887 -8.266 1.00 0.00 C ATOM 1504 CD ARG A 90 6.397 -7.863 -8.521 1.00 0.00 C ATOM 1505 NE ARG A 90 7.720 -8.485 -8.237 1.00 0.00 N ATOM 1506 CZ ARG A 90 8.362 -8.186 -7.140 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.704 -7.999 -6.029 1.00 0.00 N ATOM 1508 NH2 ARG A 90 9.662 -8.075 -7.156 1.00 0.00 N ATOM 0 H ARG A 90 1.337 -7.795 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 90 3.233 -9.684 -9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.065 -7.104 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.747 -8.227 -6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.562 -9.530 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.170 -9.531 -9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.359 -7.519 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.251 -6.988 -7.888 1.00 0.00 H new ATOM 0 HE ARG A 90 8.125 -9.145 -8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.688 -8.086 -6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.206 -7.765 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.176 -8.222 -8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.164 -7.841 -6.300 1.00 0.00 H new ATOM 1522 N ALA A 91 1.296 -10.429 -7.913 1.00 0.00 N ATOM 1523 CA ALA A 91 0.179 -10.898 -7.044 1.00 0.00 C ATOM 1524 C ALA A 91 0.753 -11.603 -5.813 1.00 0.00 C ATOM 1525 O ALA A 91 1.826 -12.172 -5.853 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.698 -11.877 -7.827 1.00 0.00 C ATOM 0 H ALA A 91 1.694 -11.141 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.420 -10.044 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.515 -12.221 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.106 -11.377 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.098 -12.731 -8.141 1.00 0.00 H new ATOM 1532 N ASP A 92 0.044 -11.572 -4.718 1.00 0.00 N ATOM 1533 CA ASP A 92 0.545 -12.241 -3.483 1.00 0.00 C ATOM 1534 C ASP A 92 -0.527 -13.193 -2.953 1.00 0.00 C ATOM 1535 O ASP A 92 -0.385 -14.398 -3.000 1.00 0.00 O ATOM 1536 CB ASP A 92 0.860 -11.182 -2.424 1.00 0.00 C ATOM 1537 CG ASP A 92 2.191 -11.516 -1.748 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.479 -12.692 -1.597 1.00 0.00 O ATOM 1539 OD2 ASP A 92 2.901 -10.589 -1.392 1.00 0.00 O ATOM 0 H ASP A 92 -0.862 -11.112 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 92 1.450 -12.804 -3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.912 -10.196 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.062 -11.146 -1.682 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.603 -12.655 -2.455 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.696 -13.517 -1.924 1.00 0.00 C ATOM 1546 C GLY A 93 -4.044 -12.902 -2.296 1.00 0.00 C ATOM 1547 O GLY A 93 -4.724 -13.365 -3.189 1.00 0.00 O ATOM 0 H GLY A 93 -1.774 -11.651 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.615 -14.523 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.610 -13.608 -0.841 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.432 -11.855 -1.622 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.733 -11.201 -1.940 1.00 0.00 C ATOM 1553 C LEU A 94 -5.467 -9.824 -2.551 1.00 0.00 C ATOM 1554 O LEU A 94 -6.271 -9.296 -3.294 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.553 -11.048 -0.658 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.451 -12.273 -0.479 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.598 -13.543 -0.523 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.165 -12.187 0.871 1.00 0.00 C ATOM 0 H LEU A 94 -3.904 -11.423 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.289 -11.813 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.890 -10.941 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.159 -10.143 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.189 -12.303 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.238 -14.416 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.087 -13.605 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.860 -13.514 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.806 -13.059 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.426 -12.157 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.773 -11.283 0.904 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.339 -9.242 -2.248 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.010 -7.903 -2.812 1.00 0.00 C ATOM 1572 C TYR A 95 -3.050 -8.080 -3.991 1.00 0.00 C ATOM 1573 O TYR A 95 -2.108 -8.845 -3.921 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.347 -7.047 -1.731 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.097 -7.213 -0.430 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.482 -6.999 -0.388 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.410 -7.582 0.734 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.178 -7.154 0.818 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -4.107 -7.737 1.940 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.492 -7.523 1.981 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.178 -7.675 3.169 1.00 0.00 O ATOM 0 H TYR A 95 -3.629 -9.638 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.920 -7.410 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.306 -7.344 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.345 -5.999 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.012 -6.715 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.343 -7.747 0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.245 -6.989 0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.577 -8.021 2.837 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.552 -7.935 3.877 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.282 -7.392 -5.075 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.379 -7.544 -6.252 1.00 0.00 C ATOM 1593 C VAL A 96 -2.133 -6.183 -6.905 1.00 0.00 C ATOM 1594 O VAL A 96 -2.961 -5.296 -6.847 1.00 0.00 O ATOM 1595 CB VAL A 96 -3.037 -8.479 -7.269 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -2.114 -8.658 -8.476 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.292 -9.838 -6.615 1.00 0.00 C ATOM 0 H VAL A 96 -4.053 -6.735 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.426 -7.959 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.982 -8.049 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.585 -9.324 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.931 -7.689 -8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.167 -9.088 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.761 -10.507 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.346 -10.266 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.952 -9.711 -5.757 1.00 0.00 H new ATOM 1607 N ASP A 97 -1.001 -6.015 -7.539 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.710 -4.714 -8.209 1.00 0.00 C ATOM 1609 C ASP A 97 -1.029 -4.850 -9.701 1.00 0.00 C ATOM 1610 O ASP A 97 -1.036 -5.938 -10.243 1.00 0.00 O ATOM 1611 CB ASP A 97 0.765 -4.356 -8.024 1.00 0.00 C ATOM 1612 CG ASP A 97 1.010 -3.938 -6.574 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.055 -3.555 -5.918 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.149 -4.006 -6.143 1.00 0.00 O ATOM 0 H ASP A 97 -0.269 -6.720 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.320 -3.924 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.392 -5.210 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.041 -3.546 -8.699 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.315 -3.766 -10.372 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.657 -3.867 -11.820 1.00 0.00 C ATOM 1621 C LEU A 98 -1.036 -2.713 -12.607 1.00 0.00 C ATOM 1622 O LEU A 98 -1.030 -1.573 -12.172 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.179 -3.816 -11.977 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.660 -5.024 -12.784 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.252 -4.853 -14.247 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.031 -6.303 -12.223 1.00 0.00 C ATOM 0 H LEU A 98 -1.327 -2.823 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.263 -4.806 -12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.655 -3.810 -10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.471 -2.893 -12.478 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.745 -5.096 -12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.594 -5.713 -14.823 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.704 -3.945 -14.647 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.167 -4.779 -14.316 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.376 -7.161 -12.800 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.945 -6.234 -12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.324 -6.425 -11.180 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.525 -3.006 -13.774 1.00 0.00 N ATOM 1639 CA ARG A 99 0.092 -1.946 -14.618 1.00 0.00 C ATOM 1640 C ARG A 99 -0.208 -2.241 -16.092 1.00 0.00 C ATOM 1641 O ARG A 99 0.073 -3.314 -16.587 1.00 0.00 O ATOM 1642 CB ARG A 99 1.605 -1.941 -14.400 1.00 0.00 C ATOM 1643 CG ARG A 99 2.204 -3.225 -14.971 1.00 0.00 C ATOM 1644 CD ARG A 99 2.781 -2.942 -16.359 1.00 0.00 C ATOM 1645 NE ARG A 99 4.098 -3.625 -16.497 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.185 -4.916 -16.328 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.777 -5.726 -17.268 1.00 0.00 N ATOM 1648 NH2 ARG A 99 4.679 -5.398 -15.220 1.00 0.00 N ATOM 0 H ARG A 99 -0.510 -3.942 -14.180 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.318 -0.973 -14.346 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.050 -1.072 -14.884 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.830 -1.863 -13.336 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.985 -3.601 -14.310 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.440 -4.000 -15.034 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.094 -3.294 -17.129 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.899 -1.868 -16.504 1.00 0.00 H new ATOM 0 HE ARG A 99 4.932 -3.083 -16.724 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.391 -5.349 -18.134 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.845 -6.735 -17.136 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.997 -4.765 -14.486 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.747 -6.407 -15.088 1.00 0.00 H new ATOM 1662 N ARG A 100 -0.778 -1.302 -16.797 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.092 -1.539 -18.235 1.00 0.00 C ATOM 1664 C ARG A 100 0.119 -1.161 -19.091 1.00 0.00 C ATOM 1665 O ARG A 100 1.074 -0.582 -18.610 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.292 -0.683 -18.647 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.032 -1.356 -19.803 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.384 -0.670 -20.011 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.055 -1.241 -21.212 1.00 0.00 N ATOM 1670 CZ ARG A 100 -4.365 -1.481 -22.294 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -3.574 -0.564 -22.781 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -4.466 -2.639 -22.888 1.00 0.00 N ATOM 0 H ARG A 100 -1.039 -0.383 -16.440 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.330 -2.592 -18.383 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.965 -0.551 -17.800 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.957 0.310 -18.946 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.437 -1.295 -20.714 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.178 -2.415 -19.588 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.012 -0.808 -19.131 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.243 0.403 -20.137 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.054 -1.445 -21.189 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.495 0.340 -22.316 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.035 -0.752 -23.626 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.084 -3.356 -22.507 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.927 -2.827 -23.733 1.00 0.00 H new