USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 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 HE2:sc= -6.93! C(o=-6.9!,f=-7.8!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= -0.328 (180deg=-1.36) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -1.37 X(o=-1.4,f=-0.96) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.33 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -160:sc= -2.78! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.297 -10.064 -14.256 1.00 0.00 N ATOM 538 CA GLY A 33 4.431 -9.755 -15.708 1.00 0.00 C ATOM 539 C GLY A 33 3.528 -10.689 -16.517 1.00 0.00 C ATOM 540 O GLY A 33 3.921 -11.774 -16.893 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.158 -8.716 -15.896 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.468 -9.874 -16.021 1.00 0.00 H new ATOM 544 N SER A 34 2.319 -10.276 -16.785 1.00 0.00 N ATOM 545 CA SER A 34 1.394 -11.143 -17.569 1.00 0.00 C ATOM 546 C SER A 34 0.222 -10.305 -18.085 1.00 0.00 C ATOM 547 O SER A 34 0.037 -9.171 -17.692 1.00 0.00 O ATOM 548 CB SER A 34 0.863 -12.261 -16.671 1.00 0.00 C ATOM 549 OG SER A 34 0.885 -13.489 -17.387 1.00 0.00 O ATOM 0 H SER A 34 1.932 -9.378 -16.496 1.00 0.00 H new ATOM 0 HA SER A 34 1.930 -11.576 -18.413 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.473 -12.341 -15.771 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.153 -12.033 -16.349 1.00 0.00 H new ATOM 0 HG SER A 34 0.547 -14.208 -16.814 1.00 0.00 H new ATOM 555 N VAL A 35 -0.572 -10.857 -18.961 1.00 0.00 N ATOM 556 CA VAL A 35 -1.735 -10.098 -19.501 1.00 0.00 C ATOM 557 C VAL A 35 -3.025 -10.837 -19.144 1.00 0.00 C ATOM 558 O VAL A 35 -3.071 -12.051 -19.132 1.00 0.00 O ATOM 559 CB VAL A 35 -1.613 -9.990 -21.023 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.265 -9.363 -21.386 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.706 -11.388 -21.640 1.00 0.00 C ATOM 0 H VAL A 35 -0.465 -11.803 -19.327 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.753 -9.098 -19.069 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.419 -9.365 -21.408 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.179 -9.287 -22.470 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.196 -8.368 -20.946 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.542 -9.987 -21.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.619 -11.314 -22.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.899 -12.011 -21.253 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.666 -11.836 -21.383 1.00 0.00 H new ATOM 571 N HIS A 36 -4.076 -10.121 -18.847 1.00 0.00 N ATOM 572 CA HIS A 36 -5.353 -10.800 -18.487 1.00 0.00 C ATOM 573 C HIS A 36 -6.508 -9.800 -18.538 1.00 0.00 C ATOM 574 O HIS A 36 -6.307 -8.603 -18.596 1.00 0.00 O ATOM 575 CB HIS A 36 -5.240 -11.366 -17.070 1.00 0.00 C ATOM 576 CG HIS A 36 -4.764 -10.286 -16.138 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.429 -9.975 -14.963 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.689 -9.434 -16.197 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.755 -8.974 -14.368 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.686 -8.606 -15.078 1.00 0.00 N ATOM 0 H HIS A 36 -4.106 -9.101 -18.838 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.544 -11.606 -19.196 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.207 -11.746 -16.740 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.545 -12.206 -17.056 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.276 -10.423 -14.613 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.957 -9.410 -16.991 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.044 -8.523 -13.430 1.00 0.00 H new ATOM 588 N GLU A 37 -7.720 -10.284 -18.509 1.00 0.00 N ATOM 589 CA GLU A 37 -8.893 -9.367 -18.546 1.00 0.00 C ATOM 590 C GLU A 37 -9.412 -9.169 -17.122 1.00 0.00 C ATOM 591 O GLU A 37 -9.364 -10.067 -16.305 1.00 0.00 O ATOM 592 CB GLU A 37 -9.997 -9.980 -19.412 1.00 0.00 C ATOM 593 CG GLU A 37 -10.541 -8.919 -20.370 1.00 0.00 C ATOM 594 CD GLU A 37 -11.669 -9.520 -21.212 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.063 -10.639 -20.926 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.118 -8.852 -22.129 1.00 0.00 O ATOM 0 H GLU A 37 -7.948 -11.277 -18.461 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.597 -8.407 -18.969 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.604 -10.827 -19.975 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.800 -10.361 -18.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.910 -8.061 -19.808 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.743 -8.556 -21.018 1.00 0.00 H new ATOM 603 N GLY A 38 -9.897 -7.998 -16.810 1.00 0.00 N ATOM 604 CA GLY A 38 -10.404 -7.754 -15.430 1.00 0.00 C ATOM 605 C GLY A 38 -11.499 -6.688 -15.455 1.00 0.00 C ATOM 606 O GLY A 38 -11.801 -6.113 -16.482 1.00 0.00 O ATOM 0 H GLY A 38 -9.964 -7.204 -17.447 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.796 -8.680 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.586 -7.432 -14.785 1.00 0.00 H new ATOM 610 N ILE A 39 -12.094 -6.423 -14.325 1.00 0.00 N ATOM 611 CA ILE A 39 -13.170 -5.394 -14.266 1.00 0.00 C ATOM 612 C ILE A 39 -12.557 -4.076 -13.791 1.00 0.00 C ATOM 613 O ILE A 39 -11.581 -4.064 -13.068 1.00 0.00 O ATOM 614 CB ILE A 39 -14.247 -5.855 -13.281 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.882 -7.149 -13.796 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.327 -4.780 -13.145 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.366 -7.988 -12.612 1.00 0.00 C ATOM 0 H ILE A 39 -11.881 -6.877 -13.437 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.621 -5.254 -15.249 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.791 -6.028 -12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.717 -6.918 -14.457 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.157 -7.713 -14.383 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.089 -5.117 -12.442 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.878 -3.857 -12.778 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.785 -4.599 -14.118 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.818 -8.909 -12.980 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.521 -8.230 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.105 -7.423 -12.044 1.00 0.00 H new ATOM 629 N VAL A 40 -13.105 -2.965 -14.202 1.00 0.00 N ATOM 630 CA VAL A 40 -12.524 -1.661 -13.779 1.00 0.00 C ATOM 631 C VAL A 40 -13.307 -1.097 -12.594 1.00 0.00 C ATOM 632 O VAL A 40 -14.512 -1.222 -12.512 1.00 0.00 O ATOM 633 CB VAL A 40 -12.589 -0.676 -14.948 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.729 0.548 -14.636 1.00 0.00 C ATOM 635 CG2 VAL A 40 -12.065 -1.356 -16.216 1.00 0.00 C ATOM 0 H VAL A 40 -13.923 -2.904 -14.808 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.487 -1.811 -13.480 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.622 -0.363 -15.101 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.777 1.248 -15.470 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.100 1.033 -13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.696 0.237 -14.482 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.111 -0.656 -17.050 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.032 -1.669 -16.061 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.678 -2.228 -16.441 1.00 0.00 H new ATOM 645 N TYR A 41 -12.624 -0.473 -11.673 1.00 0.00 N ATOM 646 CA TYR A 41 -13.316 0.105 -10.488 1.00 0.00 C ATOM 647 C TYR A 41 -12.668 1.445 -10.134 1.00 0.00 C ATOM 648 O TYR A 41 -11.509 1.678 -10.414 1.00 0.00 O ATOM 649 CB TYR A 41 -13.189 -0.856 -9.304 1.00 0.00 C ATOM 650 CG TYR A 41 -14.096 -0.400 -8.188 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.485 -0.381 -8.378 1.00 0.00 C ATOM 652 CD2 TYR A 41 -13.552 0.002 -6.961 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.328 0.040 -7.341 1.00 0.00 C ATOM 654 CE2 TYR A 41 -14.395 0.424 -5.925 1.00 0.00 C ATOM 655 CZ TYR A 41 -15.782 0.443 -6.114 1.00 0.00 C ATOM 656 OH TYR A 41 -16.613 0.858 -5.093 1.00 0.00 O ATOM 0 H TYR A 41 -11.613 -0.339 -11.691 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.371 0.257 -10.715 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.454 -1.867 -9.612 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.156 -0.889 -8.957 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.905 -0.691 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.482 -0.014 -6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.398 0.054 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.975 0.735 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.074 1.102 -4.311 1.00 0.00 H new ATOM 666 N PHE A 42 -13.406 2.330 -9.522 1.00 0.00 N ATOM 667 CA PHE A 42 -12.829 3.654 -9.156 1.00 0.00 C ATOM 668 C PHE A 42 -12.414 3.645 -7.682 1.00 0.00 C ATOM 669 O PHE A 42 -13.219 3.408 -6.804 1.00 0.00 O ATOM 670 CB PHE A 42 -13.878 4.745 -9.385 1.00 0.00 C ATOM 671 CG PHE A 42 -13.309 6.084 -8.981 1.00 0.00 C ATOM 672 CD1 PHE A 42 -13.235 6.433 -7.626 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.856 6.977 -9.961 1.00 0.00 C ATOM 674 CE1 PHE A 42 -12.708 7.675 -7.250 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.328 8.219 -9.585 1.00 0.00 C ATOM 676 CZ PHE A 42 -12.254 8.569 -8.230 1.00 0.00 C ATOM 0 H PHE A 42 -14.382 2.194 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.954 3.852 -9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.174 4.765 -10.434 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.775 4.529 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.584 5.744 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.914 6.708 -11.005 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.651 7.944 -6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.978 8.907 -10.340 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.847 9.527 -7.941 1.00 0.00 H new ATOM 727 N ILE A 46 -6.442 5.635 -7.294 1.00 0.00 N ATOM 728 CA ILE A 46 -6.348 5.775 -8.774 1.00 0.00 C ATOM 729 C ILE A 46 -7.349 4.822 -9.430 1.00 0.00 C ATOM 730 O ILE A 46 -8.507 5.150 -9.604 1.00 0.00 O ATOM 731 CB ILE A 46 -4.926 5.433 -9.230 1.00 0.00 C ATOM 732 CG1 ILE A 46 -3.998 6.608 -8.909 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.912 5.177 -10.739 1.00 0.00 C ATOM 734 CD1 ILE A 46 -3.337 6.383 -7.547 1.00 0.00 C ATOM 0 HA ILE A 46 -6.578 6.800 -9.065 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.586 4.538 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.236 6.705 -9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.564 7.540 -8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.898 4.934 -11.057 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.575 4.344 -10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.253 6.070 -11.263 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.677 7.220 -7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.105 6.308 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.757 5.460 -7.572 1.00 0.00 H new ATOM 746 N PHE A 47 -6.922 3.643 -9.792 1.00 0.00 N ATOM 747 CA PHE A 47 -7.864 2.681 -10.427 1.00 0.00 C ATOM 748 C PHE A 47 -7.811 1.351 -9.677 1.00 0.00 C ATOM 749 O PHE A 47 -6.884 1.080 -8.941 1.00 0.00 O ATOM 750 CB PHE A 47 -7.468 2.464 -11.889 1.00 0.00 C ATOM 751 CG PHE A 47 -8.453 3.175 -12.785 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.753 2.676 -12.930 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.067 4.334 -13.472 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.669 3.335 -13.760 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.983 4.994 -14.303 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.284 4.494 -14.446 1.00 0.00 C ATOM 0 H PHE A 47 -5.966 3.306 -9.676 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.877 3.081 -10.385 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.461 2.842 -12.065 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.453 1.399 -12.119 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.050 1.782 -12.401 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.064 4.719 -13.361 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.672 2.950 -13.871 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.686 5.887 -14.833 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.990 5.002 -15.085 1.00 0.00 H new ATOM 766 N LYS A 48 -8.802 0.520 -9.851 1.00 0.00 N ATOM 767 CA LYS A 48 -8.807 -0.789 -9.142 1.00 0.00 C ATOM 768 C LYS A 48 -9.290 -1.886 -10.094 1.00 0.00 C ATOM 769 O LYS A 48 -10.354 -1.795 -10.674 1.00 0.00 O ATOM 770 CB LYS A 48 -9.745 -0.713 -7.935 1.00 0.00 C ATOM 771 CG LYS A 48 -8.995 -1.159 -6.680 1.00 0.00 C ATOM 772 CD LYS A 48 -9.998 -1.621 -5.622 1.00 0.00 C ATOM 773 CE LYS A 48 -9.927 -3.143 -5.483 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.673 -3.780 -6.603 1.00 0.00 N ATOM 0 H LYS A 48 -9.607 0.691 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.797 -1.021 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.112 0.306 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.616 -1.348 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.308 -1.969 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.394 -0.337 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.778 -1.147 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.006 -1.317 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.888 -3.471 -5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.351 -3.452 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.230 -4.580 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.311 -3.082 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.000 -4.124 -7.317 1.00 0.00 H new ATOM 788 N VAL A 49 -8.517 -2.926 -10.256 1.00 0.00 N ATOM 789 CA VAL A 49 -8.933 -4.029 -11.166 1.00 0.00 C ATOM 790 C VAL A 49 -9.466 -5.197 -10.335 1.00 0.00 C ATOM 791 O VAL A 49 -8.761 -5.770 -9.529 1.00 0.00 O ATOM 792 CB VAL A 49 -7.729 -4.496 -11.987 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.128 -5.708 -12.831 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.270 -3.364 -12.908 1.00 0.00 C ATOM 0 H VAL A 49 -7.616 -3.058 -9.797 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.713 -3.672 -11.838 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.916 -4.771 -11.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.271 -6.042 -13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.457 -6.515 -12.176 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.941 -5.432 -13.503 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.412 -3.696 -13.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.083 -3.089 -13.580 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.987 -2.499 -12.308 1.00 0.00 H new ATOM 804 N ARG A 50 -10.707 -5.555 -10.522 1.00 0.00 N ATOM 805 CA ARG A 50 -11.282 -6.685 -9.738 1.00 0.00 C ATOM 806 C ARG A 50 -11.256 -7.960 -10.584 1.00 0.00 C ATOM 807 O ARG A 50 -11.729 -7.981 -11.703 1.00 0.00 O ATOM 808 CB ARG A 50 -12.728 -6.356 -9.359 1.00 0.00 C ATOM 809 CG ARG A 50 -13.195 -7.305 -8.254 1.00 0.00 C ATOM 810 CD ARG A 50 -14.659 -7.684 -8.492 1.00 0.00 C ATOM 811 NE ARG A 50 -15.283 -8.091 -7.200 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.787 -9.090 -6.524 1.00 0.00 C ATOM 813 NH1 ARG A 50 -14.074 -9.999 -7.131 1.00 0.00 N ATOM 814 NH2 ARG A 50 -15.004 -9.181 -5.240 1.00 0.00 N ATOM 0 H ARG A 50 -11.347 -5.115 -11.183 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.692 -6.837 -8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.800 -5.323 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.374 -6.451 -10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.574 -8.200 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.085 -6.828 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.200 -6.839 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.722 -8.500 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.097 -7.589 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.905 -9.928 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.686 -10.780 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.561 -8.471 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.616 -9.962 -4.711 1.00 0.00 H new ATOM 828 N LEU A 51 -10.710 -9.026 -10.061 1.00 0.00 N ATOM 829 CA LEU A 51 -10.663 -10.292 -10.844 1.00 0.00 C ATOM 830 C LEU A 51 -11.877 -11.153 -10.492 1.00 0.00 C ATOM 831 O LEU A 51 -11.757 -12.189 -9.869 1.00 0.00 O ATOM 832 CB LEU A 51 -9.379 -11.054 -10.510 1.00 0.00 C ATOM 833 CG LEU A 51 -8.380 -10.896 -11.656 1.00 0.00 C ATOM 834 CD1 LEU A 51 -8.992 -11.445 -12.946 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.049 -9.414 -11.842 1.00 0.00 C ATOM 0 H LEU A 51 -10.297 -9.073 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.678 -10.061 -11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.949 -10.674 -9.583 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.601 -12.109 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.469 -11.447 -11.422 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.280 -11.332 -13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.230 -12.501 -12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.903 -10.894 -13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.337 -9.300 -12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.961 -8.864 -12.076 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.614 -9.020 -10.924 1.00 0.00 H new ATOM 847 N LEU A 52 -13.049 -10.731 -10.886 1.00 0.00 N ATOM 848 CA LEU A 52 -14.272 -11.522 -10.575 1.00 0.00 C ATOM 849 C LEU A 52 -14.208 -12.865 -11.304 1.00 0.00 C ATOM 850 O LEU A 52 -13.979 -12.926 -12.496 1.00 0.00 O ATOM 851 CB LEU A 52 -15.508 -10.747 -11.033 1.00 0.00 C ATOM 852 CG LEU A 52 -16.769 -11.446 -10.525 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.387 -10.623 -9.392 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.777 -11.573 -11.669 1.00 0.00 C ATOM 0 H LEU A 52 -13.211 -9.871 -11.410 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.332 -11.696 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.469 -9.725 -10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.528 -10.684 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.510 -12.438 -10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.286 -11.121 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.670 -10.530 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.646 -9.631 -9.762 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.677 -12.071 -11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.035 -10.580 -12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.338 -12.158 -12.477 1.00 0.00 H new ATOM 866 N GLY A 53 -14.408 -13.945 -10.598 1.00 0.00 N ATOM 867 CA GLY A 53 -14.357 -15.285 -11.249 1.00 0.00 C ATOM 868 C GLY A 53 -13.065 -15.995 -10.845 1.00 0.00 C ATOM 869 O GLY A 53 -13.009 -17.206 -10.760 1.00 0.00 O ATOM 0 H GLY A 53 -14.605 -13.957 -9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.221 -15.880 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.403 -15.177 -12.333 1.00 0.00 H new ATOM 873 N TYR A 54 -12.025 -15.248 -10.591 1.00 0.00 N ATOM 874 CA TYR A 54 -10.736 -15.874 -10.186 1.00 0.00 C ATOM 875 C TYR A 54 -10.588 -15.787 -8.668 1.00 0.00 C ATOM 876 O TYR A 54 -9.582 -15.337 -8.157 1.00 0.00 O ATOM 877 CB TYR A 54 -9.577 -15.134 -10.855 1.00 0.00 C ATOM 878 CG TYR A 54 -8.544 -16.130 -11.318 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.637 -16.693 -12.598 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.489 -16.494 -10.468 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.678 -17.618 -13.028 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.531 -17.420 -10.899 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.624 -17.982 -12.180 1.00 0.00 C ATOM 884 OH TYR A 54 -5.680 -18.894 -12.604 1.00 0.00 O ATOM 0 H TYR A 54 -12.013 -14.230 -10.647 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.724 -16.919 -10.495 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.943 -14.553 -11.702 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.129 -14.429 -10.155 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.449 -16.413 -13.253 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.416 -16.060 -9.482 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.751 -18.051 -14.015 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.720 -17.701 -10.244 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.018 -19.034 -11.895 1.00 0.00 H new ATOM 894 N GLU A 55 -11.586 -16.210 -7.941 1.00 0.00 N ATOM 895 CA GLU A 55 -11.506 -16.146 -6.456 1.00 0.00 C ATOM 896 C GLU A 55 -11.637 -14.695 -6.002 1.00 0.00 C ATOM 897 O GLU A 55 -12.134 -13.852 -6.723 1.00 0.00 O ATOM 898 CB GLU A 55 -10.162 -16.712 -5.992 1.00 0.00 C ATOM 899 CG GLU A 55 -10.402 -17.946 -5.119 1.00 0.00 C ATOM 900 CD GLU A 55 -10.338 -17.550 -3.643 1.00 0.00 C ATOM 901 OE1 GLU A 55 -9.250 -17.563 -3.092 1.00 0.00 O ATOM 902 OE2 GLU A 55 -11.380 -17.242 -3.088 1.00 0.00 O ATOM 0 H GLU A 55 -12.453 -16.597 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.314 -16.735 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.550 -16.977 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.612 -15.957 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.375 -18.382 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.653 -18.708 -5.334 1.00 0.00 H new ATOM 909 N GLY A 56 -11.193 -14.393 -4.814 1.00 0.00 N ATOM 910 CA GLY A 56 -11.289 -12.992 -4.319 1.00 0.00 C ATOM 911 C GLY A 56 -10.113 -12.178 -4.863 1.00 0.00 C ATOM 912 O GLY A 56 -9.858 -11.073 -4.430 1.00 0.00 O ATOM 0 H GLY A 56 -10.768 -15.055 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.232 -12.546 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.281 -12.979 -3.229 1.00 0.00 H new ATOM 916 N HIS A 57 -9.394 -12.719 -5.810 1.00 0.00 N ATOM 917 CA HIS A 57 -8.232 -11.979 -6.382 1.00 0.00 C ATOM 918 C HIS A 57 -8.610 -10.511 -6.602 1.00 0.00 C ATOM 919 O HIS A 57 -9.378 -10.180 -7.487 1.00 0.00 O ATOM 920 CB HIS A 57 -7.833 -12.611 -7.718 1.00 0.00 C ATOM 921 CG HIS A 57 -6.442 -13.171 -7.608 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.936 -14.079 -8.525 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.439 -12.961 -6.694 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.679 -14.381 -8.145 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.328 -13.726 -7.034 1.00 0.00 N ATOM 0 H HIS A 57 -9.561 -13.641 -6.212 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.393 -12.033 -5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.535 -13.401 -7.984 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.876 -11.866 -8.513 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.426 -14.451 -9.339 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.503 -12.302 -5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.034 -15.068 -8.673 1.00 0.00 H new ATOM 933 N GLU A 58 -8.071 -9.626 -5.805 1.00 0.00 N ATOM 934 CA GLU A 58 -8.394 -8.183 -5.968 1.00 0.00 C ATOM 935 C GLU A 58 -7.132 -7.423 -6.378 1.00 0.00 C ATOM 936 O GLU A 58 -6.210 -7.259 -5.602 1.00 0.00 O ATOM 937 CB GLU A 58 -8.922 -7.622 -4.646 1.00 0.00 C ATOM 938 CG GLU A 58 -9.989 -6.562 -4.933 1.00 0.00 C ATOM 939 CD GLU A 58 -10.620 -6.101 -3.618 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.045 -5.235 -2.980 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.668 -6.621 -3.272 1.00 0.00 O ATOM 0 H GLU A 58 -7.421 -9.843 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.156 -8.067 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.344 -8.424 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.105 -7.185 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.543 -5.713 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.755 -6.971 -5.592 1.00 0.00 H new ATOM 948 N CYS A 59 -7.080 -6.962 -7.596 1.00 0.00 N ATOM 949 CA CYS A 59 -5.879 -6.218 -8.058 1.00 0.00 C ATOM 950 C CYS A 59 -6.171 -4.716 -8.055 1.00 0.00 C ATOM 951 O CYS A 59 -7.306 -4.291 -8.139 1.00 0.00 O ATOM 952 CB CYS A 59 -5.517 -6.661 -9.476 1.00 0.00 C ATOM 953 SG CYS A 59 -5.453 -8.469 -9.544 1.00 0.00 S ATOM 0 H CYS A 59 -7.819 -7.069 -8.291 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.046 -6.427 -7.386 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.254 -6.285 -10.185 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.554 -6.241 -9.765 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.148 -8.847 -10.750 1.00 0.00 H new ATOM 959 N ILE A 60 -5.149 -3.913 -7.965 1.00 0.00 N ATOM 960 CA ILE A 60 -5.348 -2.437 -7.963 1.00 0.00 C ATOM 961 C ILE A 60 -4.491 -1.831 -9.072 1.00 0.00 C ATOM 962 O ILE A 60 -3.344 -2.189 -9.240 1.00 0.00 O ATOM 963 CB ILE A 60 -4.914 -1.864 -6.612 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.533 -2.413 -6.248 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.922 -2.270 -5.535 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.712 -1.319 -5.563 1.00 0.00 C ATOM 0 H ILE A 60 -4.178 -4.217 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.399 -2.201 -8.130 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.871 -0.777 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.635 -3.273 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.020 -2.759 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.612 -1.861 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.907 -1.881 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.967 -3.357 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.728 -1.711 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.599 -0.472 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.223 -0.994 -4.657 1.00 0.00 H new ATOM 978 N LEU A 61 -5.026 -0.921 -9.835 1.00 0.00 N ATOM 979 CA LEU A 61 -4.217 -0.318 -10.929 1.00 0.00 C ATOM 980 C LEU A 61 -3.636 1.015 -10.464 1.00 0.00 C ATOM 981 O LEU A 61 -4.337 1.875 -9.962 1.00 0.00 O ATOM 982 CB LEU A 61 -5.094 -0.085 -12.159 1.00 0.00 C ATOM 983 CG LEU A 61 -4.201 0.201 -13.367 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.569 -0.742 -14.514 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.401 1.651 -13.815 1.00 0.00 C ATOM 0 H LEU A 61 -5.980 -0.571 -9.750 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.407 -1.000 -11.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.714 -0.961 -12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.770 0.752 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.158 0.044 -13.091 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.931 -0.536 -15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.427 -1.775 -14.196 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.612 -0.588 -14.791 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.765 1.857 -14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.444 1.807 -14.089 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.136 2.324 -12.999 1.00 0.00 H new ATOM 997 N LEU A 62 -2.354 1.188 -10.626 1.00 0.00 N ATOM 998 CA LEU A 62 -1.710 2.459 -10.194 1.00 0.00 C ATOM 999 C LEU A 62 -0.320 2.565 -10.821 1.00 0.00 C ATOM 1000 O LEU A 62 0.130 3.635 -11.179 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.586 2.473 -8.669 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.608 3.917 -8.166 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.492 3.929 -6.641 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -0.431 4.684 -8.772 1.00 0.00 C ATOM 0 H LEU A 62 -1.723 0.502 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.318 3.304 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.405 1.909 -8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.660 1.985 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.544 4.391 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.508 4.958 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.329 3.381 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.556 3.456 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.445 5.714 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.504 4.209 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.513 4.676 -9.859 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.012 3.336 -16.450 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.509 2.498 -15.323 1.00 0.00 C ATOM 1326 C VAL A 80 -16.370 1.243 -15.195 1.00 0.00 C ATOM 1327 O VAL A 80 -17.464 1.170 -15.720 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.577 3.286 -14.015 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.972 2.450 -12.886 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.791 4.590 -14.159 1.00 0.00 C ATOM 0 HA VAL A 80 -14.475 2.218 -15.524 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.617 3.514 -13.784 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.020 3.011 -11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.532 1.521 -12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.932 2.222 -13.119 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.841 5.150 -13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.750 4.364 -14.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.221 5.187 -14.963 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.883 0.255 -14.501 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.667 -1.002 -14.342 1.00 0.00 C ATOM 1342 C GLY A 81 -16.401 -1.914 -15.542 1.00 0.00 C ATOM 1343 O GLY A 81 -16.060 -3.071 -15.392 1.00 0.00 O ATOM 0 H GLY A 81 -14.975 0.262 -14.036 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.386 -1.506 -13.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.731 -0.775 -14.271 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.553 -1.398 -16.734 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.314 -2.225 -17.951 1.00 0.00 C ATOM 1349 C ARG A 82 -15.071 -3.097 -17.756 1.00 0.00 C ATOM 1350 O ARG A 82 -14.246 -2.839 -16.901 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.101 -1.301 -19.151 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.031 -2.131 -20.433 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.185 -1.209 -21.643 1.00 0.00 C ATOM 1354 NE ARG A 82 -17.244 -1.746 -22.543 1.00 0.00 N ATOM 1355 CZ ARG A 82 -18.377 -2.154 -22.042 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -18.932 -1.494 -21.062 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -18.955 -3.222 -22.519 1.00 0.00 N ATOM 0 H ARG A 82 -16.834 -0.434 -16.916 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.177 -2.868 -18.125 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.916 -0.580 -19.217 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.181 -0.731 -19.025 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.080 -2.661 -20.485 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.817 -2.886 -20.434 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.446 -0.202 -21.316 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.239 -1.134 -22.180 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.083 -1.794 -23.549 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.480 -0.660 -20.688 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.818 -1.813 -20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.521 -3.738 -23.284 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.841 -3.541 -22.127 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.929 -4.125 -18.547 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.738 -5.010 -18.417 1.00 0.00 C ATOM 1373 C VAL A 83 -12.705 -4.614 -19.473 1.00 0.00 C ATOM 1374 O VAL A 83 -13.045 -4.297 -20.596 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.157 -6.466 -18.630 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.909 -7.340 -18.769 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.978 -6.942 -17.428 1.00 0.00 C ATOM 0 H VAL A 83 -15.588 -4.390 -19.279 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.306 -4.903 -17.422 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.759 -6.542 -19.536 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.206 -8.378 -18.921 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.322 -7.002 -19.623 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.309 -7.264 -17.863 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.277 -7.979 -17.579 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.375 -6.866 -16.523 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.867 -6.320 -17.325 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.447 -4.622 -19.124 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.400 -4.238 -20.113 1.00 0.00 C ATOM 1389 C ILE A 84 -9.191 -5.164 -19.971 1.00 0.00 C ATOM 1390 O ILE A 84 -9.133 -5.997 -19.088 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.954 -2.792 -19.866 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.111 -2.727 -18.588 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.178 -1.886 -19.721 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.976 -3.078 -17.375 1.00 0.00 C ATOM 0 H ILE A 84 -11.100 -4.877 -18.199 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.815 -4.326 -21.117 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.358 -2.452 -20.713 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.272 -3.419 -18.660 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.691 -1.728 -18.469 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.853 -0.860 -19.546 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.772 -1.927 -20.634 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.783 -2.224 -18.879 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.370 -3.030 -16.470 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.800 -2.369 -17.298 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.374 -4.086 -17.492 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.222 -5.017 -20.834 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.012 -5.880 -20.751 1.00 0.00 C ATOM 1408 C LYS A 85 -5.890 -5.110 -20.053 1.00 0.00 C ATOM 1409 O LYS A 85 -5.555 -4.004 -20.432 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.563 -6.268 -22.161 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.641 -7.787 -22.323 1.00 0.00 C ATOM 1412 CD LYS A 85 -5.896 -8.203 -23.592 1.00 0.00 C ATOM 1413 CE LYS A 85 -4.392 -8.003 -23.391 1.00 0.00 C ATOM 1414 NZ LYS A 85 -3.649 -9.091 -24.089 1.00 0.00 N ATOM 0 H LYS A 85 -8.217 -4.336 -21.593 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.245 -6.782 -20.185 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.195 -5.780 -22.902 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.543 -5.925 -22.336 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.204 -8.279 -21.454 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.682 -8.105 -22.379 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.107 -9.247 -23.824 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.242 -7.612 -24.440 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.088 -7.032 -23.781 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.152 -8.008 -22.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.627 -8.956 -23.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.932 -10.012 -23.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.869 -9.065 -25.105 1.00 0.00 H new ATOM 1428 N THR A 86 -5.304 -5.681 -19.037 1.00 0.00 N ATOM 1429 CA THR A 86 -4.206 -4.977 -18.318 1.00 0.00 C ATOM 1430 C THR A 86 -3.098 -5.974 -17.975 1.00 0.00 C ATOM 1431 O THR A 86 -3.236 -7.165 -18.181 1.00 0.00 O ATOM 1432 CB THR A 86 -4.753 -4.359 -17.030 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.239 -5.390 -16.182 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.890 -3.395 -17.368 1.00 0.00 C ATOM 0 H THR A 86 -5.538 -6.605 -18.674 1.00 0.00 H new ATOM 0 HA THR A 86 -3.802 -4.190 -18.955 1.00 0.00 H new ATOM 0 HB THR A 86 -3.958 -3.814 -16.521 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.860 -5.009 -15.526 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.279 -2.955 -16.450 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.516 -2.605 -18.019 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.687 -3.937 -17.877 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.998 -5.499 -17.454 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.885 -6.423 -17.101 1.00 0.00 C ATOM 1444 C ARG A 87 -0.833 -6.605 -15.583 1.00 0.00 C ATOM 1445 O ARG A 87 -1.362 -5.807 -14.833 1.00 0.00 O ATOM 1446 CB ARG A 87 0.439 -5.834 -17.592 1.00 0.00 C ATOM 1447 CG ARG A 87 0.233 -5.192 -18.965 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.232 -6.256 -19.960 1.00 0.00 C ATOM 1449 NE ARG A 87 0.645 -6.226 -21.165 1.00 0.00 N ATOM 1450 CZ ARG A 87 1.740 -6.934 -21.191 1.00 0.00 C ATOM 1451 NH1 ARG A 87 2.655 -6.754 -20.279 1.00 0.00 N ATOM 1452 NH2 ARG A 87 1.920 -7.823 -22.129 1.00 0.00 N ATOM 0 H ARG A 87 -1.824 -4.513 -17.259 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.051 -7.390 -17.575 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.804 -5.092 -16.883 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.196 -6.615 -17.654 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.506 -4.394 -18.898 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.162 -4.738 -19.309 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.198 -7.242 -19.497 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.268 -6.074 -20.246 1.00 0.00 H new ATOM 0 HE ARG A 87 0.389 -5.652 -21.969 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.514 -6.059 -19.545 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.511 -7.308 -20.299 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.204 -7.964 -22.842 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.776 -8.377 -22.149 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.191 -7.646 -15.126 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.100 -7.882 -13.659 1.00 0.00 C ATOM 1468 C VAL A 88 1.239 -7.345 -13.154 1.00 0.00 C ATOM 1469 O VAL A 88 2.292 -7.823 -13.524 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.193 -9.382 -13.375 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.124 -9.648 -11.902 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.610 -9.871 -13.685 1.00 0.00 C ATOM 0 H VAL A 88 0.274 -8.343 -15.707 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.918 -7.371 -13.150 1.00 0.00 H new ATOM 0 HB VAL A 88 0.524 -9.913 -14.001 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.057 -10.718 -11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.132 -9.300 -11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.591 -9.116 -11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.678 -10.940 -13.483 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.324 -9.337 -13.058 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.838 -9.685 -14.735 1.00 0.00 H new ATOM 1482 N VAL A 89 1.202 -6.341 -12.324 1.00 0.00 N ATOM 1483 CA VAL A 89 2.466 -5.752 -11.806 1.00 0.00 C ATOM 1484 C VAL A 89 3.094 -6.679 -10.762 1.00 0.00 C ATOM 1485 O VAL A 89 4.298 -6.836 -10.707 1.00 0.00 O ATOM 1486 CB VAL A 89 2.164 -4.398 -11.168 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.397 -3.897 -10.414 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.794 -3.394 -12.262 1.00 0.00 C ATOM 0 H VAL A 89 0.347 -5.902 -11.981 1.00 0.00 H new ATOM 0 HA VAL A 89 3.166 -5.626 -12.632 1.00 0.00 H new ATOM 0 HB VAL A 89 1.333 -4.504 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.178 -2.931 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.663 -4.612 -9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.230 -3.791 -11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.578 -2.426 -11.810 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.626 -3.291 -12.958 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.914 -3.748 -12.799 1.00 0.00 H new ATOM 1498 N ARG A 90 2.298 -7.290 -9.927 1.00 0.00 N ATOM 1499 CA ARG A 90 2.872 -8.196 -8.892 1.00 0.00 C ATOM 1500 C ARG A 90 1.752 -8.778 -8.025 1.00 0.00 C ATOM 1501 O ARG A 90 1.247 -8.131 -7.130 1.00 0.00 O ATOM 1502 CB ARG A 90 3.833 -7.401 -8.005 1.00 0.00 C ATOM 1503 CG ARG A 90 5.092 -8.230 -7.742 1.00 0.00 C ATOM 1504 CD ARG A 90 4.877 -9.106 -6.507 1.00 0.00 C ATOM 1505 NE ARG A 90 4.536 -8.244 -5.341 1.00 0.00 N ATOM 1506 CZ ARG A 90 5.440 -7.454 -4.828 1.00 0.00 C ATOM 1507 NH1 ARG A 90 6.466 -7.959 -4.199 1.00 0.00 N ATOM 1508 NH2 ARG A 90 5.318 -6.160 -4.942 1.00 0.00 N ATOM 0 H ARG A 90 1.282 -7.202 -9.916 1.00 0.00 H new ATOM 0 HA ARG A 90 3.404 -9.010 -9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.098 -6.461 -8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.348 -7.148 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.318 -8.853 -8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.948 -7.573 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.076 -9.822 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.777 -9.683 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 90 3.597 -8.271 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.561 -8.970 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.173 -7.342 -3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.516 -5.765 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.025 -5.544 -4.541 1.00 0.00 H new ATOM 1522 N ALA A 91 1.366 -9.998 -8.280 1.00 0.00 N ATOM 1523 CA ALA A 91 0.288 -10.623 -7.463 1.00 0.00 C ATOM 1524 C ALA A 91 0.915 -11.341 -6.266 1.00 0.00 C ATOM 1525 O ALA A 91 1.751 -12.209 -6.422 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.486 -11.631 -8.316 1.00 0.00 C ATOM 0 H ALA A 91 1.750 -10.588 -9.018 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.396 -9.851 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.274 -12.086 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.930 -11.120 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.194 -12.406 -8.670 1.00 0.00 H new ATOM 1532 N ASP A 92 0.525 -10.984 -5.073 1.00 0.00 N ATOM 1533 CA ASP A 92 1.109 -11.647 -3.872 1.00 0.00 C ATOM 1534 C ASP A 92 0.022 -12.418 -3.121 1.00 0.00 C ATOM 1535 O ASP A 92 0.291 -13.098 -2.150 1.00 0.00 O ATOM 1536 CB ASP A 92 1.713 -10.588 -2.948 1.00 0.00 C ATOM 1537 CG ASP A 92 3.066 -11.079 -2.426 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.990 -11.158 -3.218 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.154 -11.365 -1.244 1.00 0.00 O ATOM 0 H ASP A 92 -0.171 -10.264 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 92 1.886 -12.342 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.838 -9.649 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.039 -10.390 -2.114 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.205 -12.322 -3.558 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.299 -13.055 -2.861 1.00 0.00 C ATOM 1546 C GLY A 93 -3.631 -12.340 -3.092 1.00 0.00 C ATOM 1547 O GLY A 93 -4.137 -12.289 -4.196 1.00 0.00 O ATOM 0 H GLY A 93 -1.496 -11.770 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.356 -14.079 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.087 -13.113 -1.793 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.207 -11.791 -2.058 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.510 -11.084 -2.216 1.00 0.00 C ATOM 1553 C LEU A 94 -5.275 -9.712 -2.846 1.00 0.00 C ATOM 1554 O LEU A 94 -6.021 -9.274 -3.701 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.166 -10.912 -0.845 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.328 -11.895 -0.709 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.044 -12.869 0.436 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.615 -11.123 -0.410 1.00 0.00 C ATOM 0 H LEU A 94 -3.832 -11.801 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.165 -11.670 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.435 -11.086 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.525 -9.890 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.442 -12.451 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.874 -13.570 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.127 -13.419 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.929 -12.313 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.445 -11.823 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.498 -10.567 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.820 -10.428 -1.224 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.247 -9.030 -2.431 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.965 -7.684 -3.006 1.00 0.00 C ATOM 1572 C TYR A 95 -2.874 -7.806 -4.069 1.00 0.00 C ATOM 1573 O TYR A 95 -1.810 -8.336 -3.822 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.487 -6.744 -1.898 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.650 -6.372 -1.013 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.338 -7.366 -0.306 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -5.042 -5.031 -0.898 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.418 -7.019 0.518 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -6.121 -4.685 -0.075 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.810 -5.678 0.632 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.874 -5.337 1.443 1.00 0.00 O ATOM 0 H TYR A 95 -3.589 -9.345 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.874 -7.284 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.708 -7.227 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.047 -5.847 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.037 -8.399 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.512 -4.265 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.948 -7.785 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.422 -3.652 0.014 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.013 -4.367 1.410 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.129 -7.321 -5.253 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.102 -7.416 -6.328 1.00 0.00 C ATOM 1593 C VAL A 96 -1.883 -6.038 -6.956 1.00 0.00 C ATOM 1594 O VAL A 96 -2.694 -5.146 -6.813 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.589 -8.392 -7.401 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.600 -8.411 -8.569 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.695 -9.796 -6.801 1.00 0.00 C ATOM 0 H VAL A 96 -4.001 -6.865 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.163 -7.771 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.567 -8.073 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.950 -9.107 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.524 -7.412 -8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.620 -8.728 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.042 -10.493 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.717 -10.112 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.402 -9.785 -5.972 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.799 -5.863 -7.660 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.537 -4.550 -8.311 1.00 0.00 C ATOM 1609 C ASP A 97 -0.961 -4.649 -9.778 1.00 0.00 C ATOM 1610 O ASP A 97 -1.005 -5.724 -10.343 1.00 0.00 O ATOM 1611 CB ASP A 97 0.956 -4.219 -8.215 1.00 0.00 C ATOM 1612 CG ASP A 97 1.275 -3.706 -6.810 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.785 -4.296 -5.860 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.002 -2.732 -6.707 1.00 0.00 O ATOM 0 H ASP A 97 -0.083 -6.573 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.101 -3.760 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.551 -5.106 -8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.221 -3.466 -8.957 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.302 -3.553 -10.397 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.752 -3.628 -11.815 1.00 0.00 C ATOM 1621 C LEU A 98 -1.151 -2.494 -12.644 1.00 0.00 C ATOM 1622 O LEU A 98 -1.118 -1.347 -12.232 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.279 -3.531 -11.861 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.849 -4.713 -12.644 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.513 -4.550 -14.127 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.235 -6.015 -12.121 1.00 0.00 C ATOM 0 H LEU A 98 -1.289 -2.619 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.417 -4.576 -12.235 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.683 -3.525 -10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.579 -2.594 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.931 -4.746 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.919 -5.393 -14.687 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.949 -3.623 -14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.431 -4.518 -14.254 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.641 -6.859 -12.679 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.153 -5.983 -12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.473 -6.131 -11.064 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.693 -2.819 -13.825 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.103 -1.789 -14.724 1.00 0.00 C ATOM 1640 C ARG A 99 -0.715 -1.953 -16.118 1.00 0.00 C ATOM 1641 O ARG A 99 -0.432 -2.903 -16.824 1.00 0.00 O ATOM 1642 CB ARG A 99 1.415 -1.986 -14.796 1.00 0.00 C ATOM 1643 CG ARG A 99 2.001 -1.124 -15.917 1.00 0.00 C ATOM 1644 CD ARG A 99 2.892 -1.987 -16.811 1.00 0.00 C ATOM 1645 NE ARG A 99 4.287 -1.969 -16.287 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.970 -0.858 -16.291 1.00 0.00 C ATOM 1647 NH1 ARG A 99 4.692 0.078 -17.156 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.934 -0.682 -15.428 1.00 0.00 N ATOM 0 H ARG A 99 -0.704 -3.765 -14.207 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.313 -0.790 -14.343 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.871 -1.717 -13.843 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.646 -3.036 -14.975 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.199 -0.679 -16.506 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.579 -0.302 -15.494 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.516 -3.010 -16.839 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.872 -1.612 -17.834 1.00 0.00 H new ATOM 0 HE ARG A 99 4.707 -2.825 -15.925 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.939 -0.058 -17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.227 0.946 -17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.152 -1.413 -14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.469 0.187 -15.431 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.559 -1.041 -16.518 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.191 -1.154 -17.863 1.00 0.00 C ATOM 1664 C ARG A 100 -1.146 -0.863 -18.942 1.00 0.00 C ATOM 1665 O ARG A 100 -0.054 -0.414 -18.657 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.339 -0.150 -17.976 1.00 0.00 C ATOM 1667 CG ARG A 100 -2.815 1.263 -17.710 1.00 0.00 C ATOM 1668 CD ARG A 100 -3.435 2.235 -18.717 1.00 0.00 C ATOM 1669 NE ARG A 100 -4.611 2.908 -18.099 1.00 0.00 N ATOM 1670 CZ ARG A 100 -5.127 3.966 -18.662 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -5.818 3.848 -19.762 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -4.954 5.142 -18.124 1.00 0.00 N ATOM 0 H ARG A 100 -1.837 -0.225 -15.973 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.581 -2.163 -17.998 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.784 -0.202 -18.969 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.124 -0.398 -17.261 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.062 1.569 -16.693 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.728 1.281 -17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.698 2.977 -19.024 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.740 1.699 -19.616 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.013 2.542 -17.236 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.955 2.929 -20.182 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.221 4.675 -20.202 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.415 5.235 -17.263 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.358 5.969 -18.565 1.00 0.00 H new