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 :FLIP no HE2:sc= -0.206 F(o=-1.2,f=-0.21) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.666 X(o=-0.67,f=-1.1) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.453 USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.0653 (180deg=-0.432) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.235 -9.934 -15.735 1.00 0.00 N ATOM 538 CA GLY A 33 4.510 -9.665 -17.174 1.00 0.00 C ATOM 539 C GLY A 33 3.468 -10.384 -18.035 1.00 0.00 C ATOM 540 O GLY A 33 3.764 -11.354 -18.703 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.480 -8.593 -17.367 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.512 -10.007 -17.434 1.00 0.00 H new ATOM 544 N SER A 34 2.250 -9.917 -18.021 1.00 0.00 N ATOM 545 CA SER A 34 1.191 -10.575 -18.837 1.00 0.00 C ATOM 546 C SER A 34 -0.071 -9.710 -18.833 1.00 0.00 C ATOM 547 O SER A 34 -0.271 -8.890 -17.958 1.00 0.00 O ATOM 548 CB SER A 34 0.872 -11.947 -18.243 1.00 0.00 C ATOM 549 OG SER A 34 0.918 -11.867 -16.824 1.00 0.00 O ATOM 0 H SER A 34 1.942 -9.109 -17.480 1.00 0.00 H new ATOM 0 HA SER A 34 1.543 -10.694 -19.862 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.115 -12.276 -18.568 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.589 -12.686 -18.600 1.00 0.00 H new ATOM 0 HG SER A 34 0.712 -12.745 -16.440 1.00 0.00 H new ATOM 555 N VAL A 35 -0.926 -9.888 -19.802 1.00 0.00 N ATOM 556 CA VAL A 35 -2.176 -9.080 -19.854 1.00 0.00 C ATOM 557 C VAL A 35 -3.366 -9.967 -19.482 1.00 0.00 C ATOM 558 O VAL A 35 -3.363 -11.157 -19.727 1.00 0.00 O ATOM 559 CB VAL A 35 -2.370 -8.530 -21.269 1.00 0.00 C ATOM 560 CG1 VAL A 35 -1.289 -7.487 -21.564 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.260 -9.674 -22.280 1.00 0.00 C ATOM 0 H VAL A 35 -0.812 -10.560 -20.561 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.105 -8.250 -19.151 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.354 -8.067 -21.347 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.427 -7.095 -22.572 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.364 -6.672 -20.844 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.305 -7.950 -21.486 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.398 -9.283 -23.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.276 -10.136 -22.201 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.028 -10.419 -22.071 1.00 0.00 H new ATOM 571 N HIS A 36 -4.382 -9.402 -18.890 1.00 0.00 N ATOM 572 CA HIS A 36 -5.565 -10.224 -18.504 1.00 0.00 C ATOM 573 C HIS A 36 -6.821 -9.352 -18.493 1.00 0.00 C ATOM 574 O HIS A 36 -6.749 -8.139 -18.522 1.00 0.00 O ATOM 575 CB HIS A 36 -5.344 -10.808 -17.106 1.00 0.00 C ATOM 576 CG HIS A 36 -5.000 -12.267 -17.220 1.00 0.00 C ATOM 577 ND1 HIS A 36 -3.861 -12.912 -17.635 1.00 0.00 N flip ATOM 578 CD2 HIS A 36 -5.898 -13.267 -16.878 1.00 0.00 C flip ATOM 579 CE1 HIS A 36 -4.045 -14.289 -17.552 1.00 0.00 C flip ATOM 580 NE2 HIS A 36 -5.289 -14.448 -17.091 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.445 -8.411 -18.657 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.692 -11.031 -19.225 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.541 -10.273 -16.600 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.242 -10.681 -16.501 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -3.009 -12.452 -17.956 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.903 -13.124 -16.508 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.335 -15.062 -17.806 1.00 0.00 H new ATOM 588 N GLU A 37 -7.973 -9.961 -18.445 1.00 0.00 N ATOM 589 CA GLU A 37 -9.236 -9.173 -18.426 1.00 0.00 C ATOM 590 C GLU A 37 -9.748 -9.081 -16.988 1.00 0.00 C ATOM 591 O GLU A 37 -9.504 -9.952 -16.176 1.00 0.00 O ATOM 592 CB GLU A 37 -10.285 -9.867 -19.297 1.00 0.00 C ATOM 593 CG GLU A 37 -10.702 -11.185 -18.641 1.00 0.00 C ATOM 594 CD GLU A 37 -11.465 -12.040 -19.653 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.158 -11.467 -20.478 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.344 -13.251 -19.587 1.00 0.00 O ATOM 0 H GLU A 37 -8.094 -10.973 -18.418 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.049 -8.172 -18.815 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.154 -9.221 -19.423 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.880 -10.055 -20.291 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.822 -11.721 -18.286 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.328 -10.988 -17.770 1.00 0.00 H new ATOM 603 N GLY A 38 -10.451 -8.031 -16.660 1.00 0.00 N ATOM 604 CA GLY A 38 -10.967 -7.891 -15.269 1.00 0.00 C ATOM 605 C GLY A 38 -11.964 -6.736 -15.204 1.00 0.00 C ATOM 606 O GLY A 38 -12.187 -6.041 -16.174 1.00 0.00 O ATOM 0 H GLY A 38 -10.689 -7.267 -17.292 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.448 -8.817 -14.954 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.141 -7.711 -14.581 1.00 0.00 H new ATOM 610 N ILE A 39 -12.563 -6.520 -14.067 1.00 0.00 N ATOM 611 CA ILE A 39 -13.542 -5.404 -13.942 1.00 0.00 C ATOM 612 C ILE A 39 -12.823 -4.197 -13.340 1.00 0.00 C ATOM 613 O ILE A 39 -11.877 -4.340 -12.591 1.00 0.00 O ATOM 614 CB ILE A 39 -14.692 -5.837 -13.030 1.00 0.00 C ATOM 615 CG1 ILE A 39 -15.474 -6.967 -13.703 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.627 -4.653 -12.778 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.896 -7.995 -12.653 1.00 0.00 C ATOM 0 H ILE A 39 -12.417 -7.067 -13.219 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.948 -5.143 -14.919 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.287 -6.185 -12.079 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.353 -6.565 -14.207 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.859 -7.444 -14.467 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.444 -4.966 -12.128 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.072 -3.846 -12.299 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.032 -4.301 -13.727 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.453 -8.799 -13.134 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.010 -8.406 -12.170 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.527 -7.514 -11.906 1.00 0.00 H new ATOM 629 N VAL A 40 -13.244 -3.009 -13.673 1.00 0.00 N ATOM 630 CA VAL A 40 -12.551 -1.806 -13.129 1.00 0.00 C ATOM 631 C VAL A 40 -13.308 -1.253 -11.921 1.00 0.00 C ATOM 632 O VAL A 40 -14.438 -1.612 -11.662 1.00 0.00 O ATOM 633 CB VAL A 40 -12.483 -0.733 -14.218 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.625 0.435 -13.730 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.859 -1.331 -15.481 1.00 0.00 C ATOM 0 H VAL A 40 -14.031 -2.819 -14.293 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.546 -2.087 -12.815 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.488 -0.376 -14.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.576 1.200 -14.505 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.067 0.860 -12.829 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.619 0.079 -13.507 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.809 -0.569 -16.258 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.853 -1.686 -15.257 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.469 -2.165 -15.829 1.00 0.00 H new ATOM 645 N TYR A 41 -12.684 -0.378 -11.180 1.00 0.00 N ATOM 646 CA TYR A 41 -13.354 0.212 -9.988 1.00 0.00 C ATOM 647 C TYR A 41 -12.803 1.620 -9.751 1.00 0.00 C ATOM 648 O TYR A 41 -11.621 1.865 -9.897 1.00 0.00 O ATOM 649 CB TYR A 41 -13.082 -0.659 -8.760 1.00 0.00 C ATOM 650 CG TYR A 41 -14.197 -0.475 -7.759 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.359 -1.252 -7.854 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.071 0.474 -6.736 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.394 -1.082 -6.927 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.107 0.644 -5.807 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.269 -0.133 -5.902 1.00 0.00 C ATOM 656 OH TYR A 41 -17.289 0.035 -4.989 1.00 0.00 O ATOM 0 H TYR A 41 -11.735 -0.046 -11.350 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.429 0.262 -10.159 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.010 -1.707 -9.052 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.127 -0.387 -8.311 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.456 -1.983 -8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.176 1.074 -6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.289 -1.682 -7.001 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.009 1.374 -5.017 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.041 0.731 -4.345 1.00 0.00 H new ATOM 666 N PHE A 42 -13.643 2.549 -9.394 1.00 0.00 N ATOM 667 CA PHE A 42 -13.158 3.938 -9.156 1.00 0.00 C ATOM 668 C PHE A 42 -12.969 4.167 -7.656 1.00 0.00 C ATOM 669 O PHE A 42 -13.921 4.285 -6.911 1.00 0.00 O ATOM 670 CB PHE A 42 -14.181 4.939 -9.701 1.00 0.00 C ATOM 671 CG PHE A 42 -13.459 6.067 -10.398 1.00 0.00 C ATOM 672 CD1 PHE A 42 -12.520 5.786 -11.400 1.00 0.00 C ATOM 673 CD2 PHE A 42 -13.729 7.395 -10.043 1.00 0.00 C ATOM 674 CE1 PHE A 42 -11.851 6.834 -12.047 1.00 0.00 C ATOM 675 CE2 PHE A 42 -13.059 8.444 -10.691 1.00 0.00 C ATOM 676 CZ PHE A 42 -12.121 8.162 -11.691 1.00 0.00 C ATOM 0 H PHE A 42 -14.644 2.408 -9.256 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.205 4.079 -9.666 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.858 4.442 -10.396 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.791 5.331 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.312 4.762 -11.673 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.453 7.611 -9.271 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.128 6.618 -12.820 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.267 9.468 -10.418 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.605 8.969 -12.189 1.00 0.00 H new ATOM 727 N ILE A 46 -7.103 5.804 -5.998 1.00 0.00 N ATOM 728 CA ILE A 46 -6.504 5.241 -7.240 1.00 0.00 C ATOM 729 C ILE A 46 -7.544 4.369 -7.948 1.00 0.00 C ATOM 730 O ILE A 46 -8.730 4.500 -7.720 1.00 0.00 O ATOM 731 CB ILE A 46 -5.283 4.396 -6.871 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.701 3.316 -5.869 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.215 5.290 -6.241 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.653 2.203 -5.849 1.00 0.00 C ATOM 0 HA ILE A 46 -6.196 6.048 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.878 3.927 -7.768 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.805 3.749 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.674 2.908 -6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.345 4.688 -5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.921 6.062 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.617 5.759 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.952 1.435 -5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.571 1.763 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.689 2.617 -5.554 1.00 0.00 H new ATOM 746 N PHE A 47 -7.116 3.481 -8.803 1.00 0.00 N ATOM 747 CA PHE A 47 -8.091 2.610 -9.515 1.00 0.00 C ATOM 748 C PHE A 47 -8.034 1.198 -8.929 1.00 0.00 C ATOM 749 O PHE A 47 -7.054 0.805 -8.331 1.00 0.00 O ATOM 750 CB PHE A 47 -7.739 2.567 -11.002 1.00 0.00 C ATOM 751 CG PHE A 47 -7.426 3.963 -11.482 1.00 0.00 C ATOM 752 CD1 PHE A 47 -6.116 4.453 -11.403 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.446 4.770 -12.003 1.00 0.00 C ATOM 754 CE1 PHE A 47 -5.826 5.750 -11.844 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.156 6.068 -12.445 1.00 0.00 C ATOM 756 CZ PHE A 47 -6.845 6.558 -12.365 1.00 0.00 C ATOM 0 H PHE A 47 -6.136 3.322 -9.038 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.098 3.010 -9.393 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.882 1.913 -11.166 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.570 2.152 -11.572 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.330 3.830 -11.002 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.456 4.392 -12.064 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.816 6.128 -11.782 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.942 6.690 -12.847 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.621 7.558 -12.705 1.00 0.00 H new ATOM 766 N LYS A 48 -9.080 0.436 -9.093 1.00 0.00 N ATOM 767 CA LYS A 48 -9.087 -0.947 -8.542 1.00 0.00 C ATOM 768 C LYS A 48 -9.525 -1.927 -9.632 1.00 0.00 C ATOM 769 O LYS A 48 -10.272 -1.581 -10.529 1.00 0.00 O ATOM 770 CB LYS A 48 -10.064 -1.021 -7.366 1.00 0.00 C ATOM 771 CG LYS A 48 -9.365 -1.646 -6.158 1.00 0.00 C ATOM 772 CD LYS A 48 -10.268 -2.718 -5.545 1.00 0.00 C ATOM 773 CE LYS A 48 -10.867 -2.195 -4.238 1.00 0.00 C ATOM 774 NZ LYS A 48 -12.298 -2.604 -4.149 1.00 0.00 N ATOM 0 H LYS A 48 -9.930 0.712 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.086 -1.208 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.423 -0.023 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.936 -1.614 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.415 -2.086 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.139 -0.879 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.063 -2.981 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.696 -3.627 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.311 -2.589 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.785 -1.109 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.706 -2.249 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.823 -2.207 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.364 -3.642 -4.170 1.00 0.00 H new ATOM 788 N VAL A 49 -9.067 -3.147 -9.562 1.00 0.00 N ATOM 789 CA VAL A 49 -9.453 -4.154 -10.590 1.00 0.00 C ATOM 790 C VAL A 49 -9.840 -5.464 -9.900 1.00 0.00 C ATOM 791 O VAL A 49 -9.053 -6.059 -9.192 1.00 0.00 O ATOM 792 CB VAL A 49 -8.270 -4.408 -11.526 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.669 -5.433 -12.589 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.869 -3.098 -12.207 1.00 0.00 C ATOM 0 H VAL A 49 -8.440 -3.490 -8.834 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.300 -3.778 -11.164 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.428 -4.792 -10.950 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.825 -5.613 -13.255 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.955 -6.367 -12.105 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.511 -5.050 -13.165 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.026 -3.278 -12.874 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.712 -2.714 -12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.583 -2.367 -11.450 1.00 0.00 H new ATOM 804 N ARG A 50 -11.047 -5.918 -10.100 1.00 0.00 N ATOM 805 CA ARG A 50 -11.479 -7.190 -9.453 1.00 0.00 C ATOM 806 C ARG A 50 -11.385 -8.331 -10.467 1.00 0.00 C ATOM 807 O ARG A 50 -11.920 -8.253 -11.554 1.00 0.00 O ATOM 808 CB ARG A 50 -12.925 -7.052 -8.971 1.00 0.00 C ATOM 809 CG ARG A 50 -13.135 -7.920 -7.728 1.00 0.00 C ATOM 810 CD ARG A 50 -14.431 -7.508 -7.029 1.00 0.00 C ATOM 811 NE ARG A 50 -15.550 -7.511 -8.013 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.604 -6.770 -7.804 1.00 0.00 C ATOM 813 NH1 ARG A 50 -17.537 -7.176 -6.988 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.725 -5.620 -8.411 1.00 0.00 N ATOM 0 H ARG A 50 -11.751 -5.465 -10.682 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.833 -7.405 -8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.145 -6.009 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.613 -7.356 -9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.180 -8.972 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.291 -7.808 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.650 -8.195 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.321 -6.516 -6.591 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.492 -8.092 -8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.443 -8.073 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.360 -6.596 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.996 -5.301 -9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.549 -5.041 -8.247 1.00 0.00 H new ATOM 828 N LEU A 51 -10.708 -9.393 -10.121 1.00 0.00 N ATOM 829 CA LEU A 51 -10.581 -10.534 -11.073 1.00 0.00 C ATOM 830 C LEU A 51 -11.697 -11.549 -10.810 1.00 0.00 C ATOM 831 O LEU A 51 -11.473 -12.598 -10.241 1.00 0.00 O ATOM 832 CB LEU A 51 -9.222 -11.210 -10.879 1.00 0.00 C ATOM 833 CG LEU A 51 -8.501 -11.303 -12.225 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.418 -11.968 -13.254 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.134 -9.897 -12.703 1.00 0.00 C ATOM 0 H LEU A 51 -10.239 -9.520 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.662 -10.164 -12.095 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.619 -10.642 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.356 -12.206 -10.457 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.595 -11.898 -12.110 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.903 -12.033 -14.212 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.680 -12.970 -12.914 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.325 -11.375 -13.370 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.620 -9.961 -13.662 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.041 -9.303 -12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.479 -9.423 -11.972 1.00 0.00 H new ATOM 847 N LEU A 52 -12.897 -11.244 -11.223 1.00 0.00 N ATOM 848 CA LEU A 52 -14.025 -12.193 -10.998 1.00 0.00 C ATOM 849 C LEU A 52 -13.700 -13.536 -11.658 1.00 0.00 C ATOM 850 O LEU A 52 -13.421 -13.607 -12.838 1.00 0.00 O ATOM 851 CB LEU A 52 -15.304 -11.618 -11.610 1.00 0.00 C ATOM 852 CG LEU A 52 -16.479 -11.859 -10.661 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.051 -10.517 -10.204 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.566 -12.654 -11.389 1.00 0.00 C ATOM 0 H LEU A 52 -13.145 -10.380 -11.706 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.170 -12.340 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.184 -10.550 -11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.500 -12.086 -12.575 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.135 -12.421 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.888 -10.690 -9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.278 -9.949 -9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.395 -9.954 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.404 -12.827 -10.714 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.909 -12.091 -12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.160 -13.611 -11.715 1.00 0.00 H new ATOM 866 N GLY A 53 -13.733 -14.601 -10.905 1.00 0.00 N ATOM 867 CA GLY A 53 -13.425 -15.937 -11.488 1.00 0.00 C ATOM 868 C GLY A 53 -12.438 -16.675 -10.581 1.00 0.00 C ATOM 869 O GLY A 53 -12.560 -17.861 -10.349 1.00 0.00 O ATOM 0 H GLY A 53 -13.960 -14.604 -9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.341 -16.518 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.002 -15.821 -12.486 1.00 0.00 H new ATOM 873 N TYR A 54 -11.461 -15.981 -10.067 1.00 0.00 N ATOM 874 CA TYR A 54 -10.466 -16.639 -9.176 1.00 0.00 C ATOM 875 C TYR A 54 -11.016 -16.694 -7.748 1.00 0.00 C ATOM 876 O TYR A 54 -10.568 -17.472 -6.930 1.00 0.00 O ATOM 877 CB TYR A 54 -9.164 -15.837 -9.191 1.00 0.00 C ATOM 878 CG TYR A 54 -8.118 -16.560 -8.380 1.00 0.00 C ATOM 879 CD1 TYR A 54 -7.285 -17.505 -8.994 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.978 -16.286 -7.013 1.00 0.00 C ATOM 881 CE1 TYR A 54 -6.313 -18.178 -8.241 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.006 -16.958 -6.260 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.174 -17.904 -6.874 1.00 0.00 C ATOM 884 OH TYR A 54 -5.215 -18.564 -6.133 1.00 0.00 O ATOM 0 H TYR A 54 -11.309 -14.985 -10.226 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.274 -17.652 -9.529 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.818 -15.705 -10.216 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.333 -14.841 -8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.392 -17.715 -10.048 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.619 -15.557 -6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.672 -18.907 -8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.898 -16.747 -5.206 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.251 -18.256 -5.203 1.00 0.00 H new ATOM 894 N GLU A 55 -11.986 -15.873 -7.445 1.00 0.00 N ATOM 895 CA GLU A 55 -12.569 -15.876 -6.072 1.00 0.00 C ATOM 896 C GLU A 55 -11.499 -15.477 -5.054 1.00 0.00 C ATOM 897 O GLU A 55 -10.812 -16.314 -4.503 1.00 0.00 O ATOM 898 CB GLU A 55 -13.095 -17.276 -5.741 1.00 0.00 C ATOM 899 CG GLU A 55 -13.551 -17.321 -4.282 1.00 0.00 C ATOM 900 CD GLU A 55 -14.541 -16.186 -4.019 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.723 -16.396 -4.232 1.00 0.00 O ATOM 902 OE2 GLU A 55 -14.100 -15.124 -3.609 1.00 0.00 O ATOM 0 H GLU A 55 -12.400 -15.200 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.390 -15.160 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.926 -17.529 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.315 -18.018 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.018 -18.282 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.691 -17.228 -3.619 1.00 0.00 H new ATOM 909 N GLY A 56 -11.355 -14.206 -4.795 1.00 0.00 N ATOM 910 CA GLY A 56 -10.334 -13.757 -3.808 1.00 0.00 C ATOM 911 C GLY A 56 -9.182 -13.061 -4.534 1.00 0.00 C ATOM 912 O GLY A 56 -8.068 -13.017 -4.051 1.00 0.00 O ATOM 0 H GLY A 56 -11.901 -13.459 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.786 -13.076 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.958 -14.612 -3.246 1.00 0.00 H new ATOM 916 N HIS A 57 -9.436 -12.516 -5.692 1.00 0.00 N ATOM 917 CA HIS A 57 -8.348 -11.825 -6.440 1.00 0.00 C ATOM 918 C HIS A 57 -8.587 -10.315 -6.422 1.00 0.00 C ATOM 919 O HIS A 57 -9.273 -9.773 -7.269 1.00 0.00 O ATOM 920 CB HIS A 57 -8.320 -12.318 -7.886 1.00 0.00 C ATOM 921 CG HIS A 57 -6.894 -12.391 -8.358 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.559 -12.777 -9.647 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.705 -12.129 -7.724 1.00 0.00 C ATOM 924 CE1 HIS A 57 -5.217 -12.736 -9.745 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.647 -12.347 -8.601 1.00 0.00 N ATOM 0 H HIS A 57 -10.347 -12.519 -6.151 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.393 -12.046 -5.964 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.789 -13.299 -7.957 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.892 -11.644 -8.523 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -7.210 -13.043 -10.386 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.606 -11.803 -6.699 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.668 -12.987 -10.640 1.00 0.00 H new ATOM 933 N GLU A 58 -8.024 -9.632 -5.464 1.00 0.00 N ATOM 934 CA GLU A 58 -8.211 -8.158 -5.388 1.00 0.00 C ATOM 935 C GLU A 58 -6.937 -7.461 -5.874 1.00 0.00 C ATOM 936 O GLU A 58 -5.887 -7.572 -5.269 1.00 0.00 O ATOM 937 CB GLU A 58 -8.494 -7.753 -3.940 1.00 0.00 C ATOM 938 CG GLU A 58 -9.501 -6.601 -3.918 1.00 0.00 C ATOM 939 CD GLU A 58 -9.029 -5.527 -2.935 1.00 0.00 C ATOM 940 OE1 GLU A 58 -7.987 -4.943 -3.183 1.00 0.00 O ATOM 941 OE2 GLU A 58 -9.717 -5.307 -1.952 1.00 0.00 O ATOM 0 H GLU A 58 -7.441 -10.033 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.051 -7.863 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.887 -8.604 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.569 -7.451 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.604 -6.175 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.484 -6.969 -3.626 1.00 0.00 H new ATOM 948 N CYS A 59 -7.018 -6.747 -6.962 1.00 0.00 N ATOM 949 CA CYS A 59 -5.812 -6.049 -7.483 1.00 0.00 C ATOM 950 C CYS A 59 -6.037 -4.537 -7.439 1.00 0.00 C ATOM 951 O CYS A 59 -7.151 -4.069 -7.318 1.00 0.00 O ATOM 952 CB CYS A 59 -5.554 -6.484 -8.927 1.00 0.00 C ATOM 953 SG CYS A 59 -5.904 -8.252 -9.096 1.00 0.00 S ATOM 0 H CYS A 59 -7.867 -6.617 -7.512 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.951 -6.306 -6.866 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.183 -5.911 -9.609 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.519 -6.279 -9.200 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.687 -8.622 -10.323 1.00 0.00 H new ATOM 959 N ILE A 60 -4.987 -3.773 -7.537 1.00 0.00 N ATOM 960 CA ILE A 60 -5.135 -2.291 -7.504 1.00 0.00 C ATOM 961 C ILE A 60 -4.389 -1.684 -8.692 1.00 0.00 C ATOM 962 O ILE A 60 -3.217 -1.930 -8.887 1.00 0.00 O ATOM 963 CB ILE A 60 -4.544 -1.746 -6.202 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.118 -2.273 -6.032 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.399 -2.205 -5.018 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.485 -1.645 -4.789 1.00 0.00 C ATOM 0 H ILE A 60 -4.030 -4.111 -7.639 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.192 -2.029 -7.560 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.530 -0.657 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.129 -3.359 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.524 -2.036 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.976 -1.816 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.416 -1.832 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.414 -3.294 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.469 -2.021 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.460 -0.561 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.075 -1.905 -3.910 1.00 0.00 H new ATOM 978 N LEU A 61 -5.052 -0.893 -9.491 1.00 0.00 N ATOM 979 CA LEU A 61 -4.363 -0.283 -10.662 1.00 0.00 C ATOM 980 C LEU A 61 -3.930 1.141 -10.317 1.00 0.00 C ATOM 981 O LEU A 61 -4.735 1.986 -9.974 1.00 0.00 O ATOM 982 CB LEU A 61 -5.309 -0.250 -11.865 1.00 0.00 C ATOM 983 CG LEU A 61 -4.640 0.497 -13.023 1.00 0.00 C ATOM 984 CD1 LEU A 61 -3.809 -0.482 -13.852 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.714 1.130 -13.911 1.00 0.00 C ATOM 0 H LEU A 61 -6.035 -0.644 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.486 -0.881 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.561 -1.266 -12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.243 0.242 -11.593 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.991 1.276 -12.623 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.334 0.051 -14.676 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.043 -0.934 -13.222 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.457 -1.262 -14.251 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.238 1.662 -14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.363 0.350 -14.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.307 1.830 -13.322 1.00 0.00 H new ATOM 997 N LEU A 62 -2.659 1.407 -10.413 1.00 0.00 N ATOM 998 CA LEU A 62 -2.154 2.773 -10.100 1.00 0.00 C ATOM 999 C LEU A 62 -0.966 3.094 -11.011 1.00 0.00 C ATOM 1000 O LEU A 62 -0.783 4.219 -11.432 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.716 2.841 -8.635 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.728 1.713 -8.338 1.00 0.00 C ATOM 1003 CD1 LEU A 62 0.668 2.302 -8.129 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -1.164 0.975 -7.070 1.00 0.00 C ATOM 0 H LEU A 62 -1.945 0.736 -10.696 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.948 3.501 -10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.253 3.806 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.585 2.758 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.708 1.016 -9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.374 1.499 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.979 2.830 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.648 2.998 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.460 0.170 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.183 1.672 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.160 0.557 -7.217 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.715 3.623 -16.381 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.834 2.934 -15.397 1.00 0.00 C ATOM 1326 C VAL A 80 -16.557 1.703 -14.856 1.00 0.00 C ATOM 1327 O VAL A 80 -17.748 1.539 -15.029 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.501 3.892 -14.247 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -16.739 4.717 -13.896 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -15.054 3.101 -13.011 1.00 0.00 C ATOM 0 HA VAL A 80 -14.907 2.627 -15.882 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.692 4.552 -14.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.503 5.398 -13.078 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.053 5.291 -14.768 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.546 4.051 -13.591 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.820 3.792 -12.201 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.856 2.433 -12.697 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.168 2.515 -13.255 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.844 0.836 -14.200 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.486 -0.386 -13.644 1.00 0.00 C ATOM 1342 C GLY A 81 -16.551 -1.473 -14.718 1.00 0.00 C ATOM 1343 O GLY A 81 -16.279 -2.630 -14.458 1.00 0.00 O ATOM 0 H GLY A 81 -14.843 0.919 -14.024 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.921 -0.745 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.490 -0.151 -13.290 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.917 -1.107 -15.920 1.00 0.00 N ATOM 1348 CA ARG A 82 -17.017 -2.107 -17.023 1.00 0.00 C ATOM 1349 C ARG A 82 -15.792 -3.022 -17.029 1.00 0.00 C ATOM 1350 O ARG A 82 -14.883 -2.879 -16.236 1.00 0.00 O ATOM 1351 CB ARG A 82 -17.107 -1.372 -18.363 1.00 0.00 C ATOM 1352 CG ARG A 82 -18.513 -1.541 -18.943 1.00 0.00 C ATOM 1353 CD ARG A 82 -18.752 -0.483 -20.022 1.00 0.00 C ATOM 1354 NE ARG A 82 -18.645 -1.111 -21.368 1.00 0.00 N ATOM 1355 CZ ARG A 82 -19.455 -2.077 -21.705 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -20.716 -1.823 -21.927 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -19.006 -3.297 -21.820 1.00 0.00 N ATOM 0 H ARG A 82 -17.152 -0.151 -16.185 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.909 -2.715 -16.869 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.883 -0.314 -18.226 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.365 -1.767 -19.057 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.625 -2.539 -19.366 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -19.258 -1.444 -18.153 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -19.738 -0.036 -19.895 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.022 0.321 -19.925 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.938 -0.786 -22.027 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.068 -0.870 -21.837 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.350 -2.578 -22.190 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.021 -3.496 -21.646 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.640 -4.051 -22.083 1.00 0.00 H new ATOM 1371 N VAL A 83 -15.763 -3.962 -17.929 1.00 0.00 N ATOM 1372 CA VAL A 83 -14.604 -4.893 -17.995 1.00 0.00 C ATOM 1373 C VAL A 83 -13.617 -4.389 -19.044 1.00 0.00 C ATOM 1374 O VAL A 83 -13.995 -3.802 -20.038 1.00 0.00 O ATOM 1375 CB VAL A 83 -15.088 -6.291 -18.382 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -16.146 -6.761 -17.383 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.697 -6.249 -19.786 1.00 0.00 C ATOM 0 H VAL A 83 -16.492 -4.127 -18.623 1.00 0.00 H new ATOM 0 HA VAL A 83 -14.117 -4.938 -17.021 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.245 -6.982 -18.370 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.490 -7.757 -17.660 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.714 -6.791 -16.383 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.989 -6.070 -17.394 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.042 -7.245 -20.063 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.539 -5.557 -19.797 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.944 -5.915 -20.499 1.00 0.00 H new ATOM 1387 N ILE A 84 -12.352 -4.597 -18.818 1.00 0.00 N ATOM 1388 CA ILE A 84 -11.336 -4.113 -19.785 1.00 0.00 C ATOM 1389 C ILE A 84 -10.057 -4.937 -19.633 1.00 0.00 C ATOM 1390 O ILE A 84 -9.945 -5.774 -18.757 1.00 0.00 O ATOM 1391 CB ILE A 84 -11.034 -2.644 -19.485 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -10.789 -2.477 -17.983 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -12.230 -1.782 -19.895 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.307 -2.690 -17.679 1.00 0.00 C ATOM 0 H ILE A 84 -11.979 -5.083 -18.003 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.711 -4.216 -20.803 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.151 -2.333 -20.043 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.097 -1.482 -17.662 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.392 -3.193 -17.424 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -12.014 -0.735 -19.681 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -12.417 -1.903 -20.962 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -13.112 -2.093 -19.334 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.134 -2.571 -16.609 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.014 -3.694 -17.984 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.714 -1.957 -18.226 1.00 0.00 H new ATOM 1406 N LYS A 85 -9.089 -4.704 -20.476 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.816 -5.469 -20.379 1.00 0.00 C ATOM 1408 C LYS A 85 -6.756 -4.598 -19.704 1.00 0.00 C ATOM 1409 O LYS A 85 -6.703 -3.401 -19.906 1.00 0.00 O ATOM 1410 CB LYS A 85 -7.345 -5.856 -21.781 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.079 -4.589 -22.596 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.195 -4.933 -23.796 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.432 -3.915 -24.913 1.00 0.00 C ATOM 1414 NZ LYS A 85 -7.765 -4.163 -25.535 1.00 0.00 N ATOM 0 H LYS A 85 -9.126 -4.016 -21.228 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.975 -6.373 -19.791 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.439 -6.458 -21.719 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.101 -6.467 -22.275 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.021 -4.158 -22.936 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.591 -3.839 -21.974 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.146 -4.928 -23.501 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.421 -5.938 -24.152 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.388 -2.902 -24.512 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.647 -3.995 -25.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.761 -3.815 -26.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.966 -5.183 -25.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.499 -3.663 -24.994 1.00 0.00 H new ATOM 1428 N THR A 86 -5.912 -5.186 -18.901 1.00 0.00 N ATOM 1429 CA THR A 86 -4.862 -4.384 -18.216 1.00 0.00 C ATOM 1430 C THR A 86 -3.596 -5.228 -18.056 1.00 0.00 C ATOM 1431 O THR A 86 -3.572 -6.399 -18.381 1.00 0.00 O ATOM 1432 CB THR A 86 -5.367 -3.953 -16.837 1.00 0.00 C ATOM 1433 OG1 THR A 86 -6.787 -3.940 -16.840 1.00 0.00 O ATOM 1434 CG2 THR A 86 -4.842 -2.554 -16.514 1.00 0.00 C ATOM 0 H THR A 86 -5.905 -6.184 -18.691 1.00 0.00 H new ATOM 0 HA THR A 86 -4.635 -3.500 -18.812 1.00 0.00 H new ATOM 0 HB THR A 86 -5.011 -4.654 -16.082 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.113 -3.666 -15.958 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.202 -2.248 -15.532 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.752 -2.566 -16.513 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.197 -1.850 -17.266 1.00 0.00 H new ATOM 1442 N ARG A 87 -2.541 -4.641 -17.559 1.00 0.00 N ATOM 1443 CA ARG A 87 -1.275 -5.405 -17.380 1.00 0.00 C ATOM 1444 C ARG A 87 -1.124 -5.799 -15.909 1.00 0.00 C ATOM 1445 O ARG A 87 -1.639 -5.144 -15.025 1.00 0.00 O ATOM 1446 CB ARG A 87 -0.085 -4.535 -17.796 1.00 0.00 C ATOM 1447 CG ARG A 87 -0.523 -3.540 -18.875 1.00 0.00 C ATOM 1448 CD ARG A 87 -1.049 -4.303 -20.092 1.00 0.00 C ATOM 1449 NE ARG A 87 0.096 -4.884 -20.846 1.00 0.00 N ATOM 1450 CZ ARG A 87 0.396 -4.425 -22.029 1.00 0.00 C ATOM 1451 NH1 ARG A 87 0.228 -3.159 -22.298 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.866 -5.230 -22.942 1.00 0.00 N ATOM 0 H ARG A 87 -2.502 -3.664 -17.269 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.303 -6.301 -18.000 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.306 -3.999 -16.931 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.722 -5.163 -18.173 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.298 -2.881 -18.483 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.317 -2.908 -19.164 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.727 -5.094 -19.773 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.620 -3.634 -20.735 1.00 0.00 H new ATOM 0 HE ARG A 87 0.645 -5.640 -20.438 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.138 -2.530 -21.583 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.462 -2.799 -23.223 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.999 -6.219 -22.730 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.100 -4.870 -23.867 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.418 -6.862 -15.639 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.237 -7.292 -14.225 1.00 0.00 C ATOM 1468 C VAL A 88 1.111 -6.779 -13.715 1.00 0.00 C ATOM 1469 O VAL A 88 2.147 -7.054 -14.286 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.269 -8.819 -14.145 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.146 -9.268 -12.744 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.688 -9.311 -14.440 1.00 0.00 C ATOM 0 H VAL A 88 0.040 -7.450 -16.335 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.041 -6.885 -13.611 1.00 0.00 H new ATOM 0 HB VAL A 88 0.423 -9.237 -14.877 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.123 -10.356 -12.689 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.156 -8.916 -12.533 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.544 -8.853 -12.010 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.715 -10.399 -14.384 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.378 -8.893 -13.707 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.983 -8.992 -15.440 1.00 0.00 H new ATOM 1482 N VAL A 89 1.102 -6.026 -12.650 1.00 0.00 N ATOM 1483 CA VAL A 89 2.381 -5.485 -12.113 1.00 0.00 C ATOM 1484 C VAL A 89 3.064 -6.536 -11.235 1.00 0.00 C ATOM 1485 O VAL A 89 4.271 -6.674 -11.247 1.00 0.00 O ATOM 1486 CB VAL A 89 2.099 -4.232 -11.284 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.362 -3.833 -10.518 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.688 -3.089 -12.214 1.00 0.00 C ATOM 0 H VAL A 89 0.265 -5.762 -12.129 1.00 0.00 H new ATOM 0 HA VAL A 89 3.038 -5.231 -12.945 1.00 0.00 H new ATOM 0 HB VAL A 89 1.294 -4.436 -10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.162 -2.940 -9.927 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.659 -4.647 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.166 -3.628 -11.224 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.487 -2.195 -11.624 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.494 -2.885 -12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.790 -3.372 -12.763 1.00 0.00 H new ATOM 1498 N ARG A 90 2.308 -7.276 -10.470 1.00 0.00 N ATOM 1499 CA ARG A 90 2.929 -8.307 -9.594 1.00 0.00 C ATOM 1500 C ARG A 90 1.864 -8.907 -8.676 1.00 0.00 C ATOM 1501 O ARG A 90 1.435 -8.290 -7.720 1.00 0.00 O ATOM 1502 CB ARG A 90 4.028 -7.664 -8.746 1.00 0.00 C ATOM 1503 CG ARG A 90 5.271 -8.555 -8.761 1.00 0.00 C ATOM 1504 CD ARG A 90 6.088 -8.316 -7.489 1.00 0.00 C ATOM 1505 NE ARG A 90 6.054 -9.541 -6.641 1.00 0.00 N ATOM 1506 CZ ARG A 90 6.726 -10.601 -7.001 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.944 -10.479 -7.450 1.00 0.00 N ATOM 1508 NH2 ARG A 90 6.179 -11.784 -6.909 1.00 0.00 N ATOM 0 H ARG A 90 1.292 -7.211 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 90 3.361 -9.094 -10.213 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.271 -6.676 -9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.679 -7.526 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.979 -9.603 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.877 -8.337 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.118 -8.067 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.683 -7.467 -6.938 1.00 0.00 H new ATOM 0 HE ARG A 90 5.506 -9.551 -5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.372 -9.556 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.469 -11.307 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.227 -11.880 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.704 -12.612 -7.190 1.00 0.00 H new ATOM 1522 N ALA A 91 1.437 -10.106 -8.956 1.00 0.00 N ATOM 1523 CA ALA A 91 0.405 -10.750 -8.096 1.00 0.00 C ATOM 1524 C ALA A 91 1.095 -11.560 -6.997 1.00 0.00 C ATOM 1525 O ALA A 91 1.949 -12.384 -7.263 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.463 -11.678 -8.947 1.00 0.00 C ATOM 0 H ALA A 91 1.758 -10.669 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.223 -9.983 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.218 -12.149 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.953 -11.100 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.163 -12.447 -9.400 1.00 0.00 H new ATOM 1532 N ASP A 92 0.735 -11.332 -5.763 1.00 0.00 N ATOM 1533 CA ASP A 92 1.374 -12.089 -4.649 1.00 0.00 C ATOM 1534 C ASP A 92 0.324 -12.950 -3.946 1.00 0.00 C ATOM 1535 O ASP A 92 0.512 -14.133 -3.739 1.00 0.00 O ATOM 1536 CB ASP A 92 1.982 -11.106 -3.646 1.00 0.00 C ATOM 1537 CG ASP A 92 2.623 -11.883 -2.494 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.080 -12.988 -2.734 1.00 0.00 O ATOM 1539 OD2 ASP A 92 2.645 -11.360 -1.392 1.00 0.00 O ATOM 0 H ASP A 92 0.027 -10.655 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 92 2.158 -12.730 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.729 -10.483 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.211 -10.437 -3.263 1.00 0.00 H new ATOM 1544 N GLY A 93 -0.779 -12.366 -3.576 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.843 -13.147 -2.884 1.00 0.00 C ATOM 1546 C GLY A 93 -3.198 -12.475 -3.110 1.00 0.00 C ATOM 1547 O GLY A 93 -3.607 -12.241 -4.230 1.00 0.00 O ATOM 0 H GLY A 93 -0.992 -11.379 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.864 -14.169 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.629 -13.208 -1.817 1.00 0.00 H new ATOM 1551 N LEU A 94 -3.899 -12.162 -2.054 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.228 -11.506 -2.210 1.00 0.00 C ATOM 1553 C LEU A 94 -5.037 -10.098 -2.778 1.00 0.00 C ATOM 1554 O LEU A 94 -5.878 -9.587 -3.491 1.00 0.00 O ATOM 1555 CB LEU A 94 -5.918 -11.421 -0.847 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.047 -12.452 -0.784 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.593 -13.658 0.040 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.276 -11.822 -0.126 1.00 0.00 C ATOM 0 H LEU A 94 -3.609 -12.332 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.846 -12.091 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.197 -11.605 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.317 -10.419 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.299 -12.775 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.398 -14.392 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.717 -14.108 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.341 -13.335 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.081 -12.556 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.023 -11.499 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.602 -10.962 -0.711 1.00 0.00 H new ATOM 1570 N TYR A 95 -3.935 -9.468 -2.472 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.689 -8.094 -2.998 1.00 0.00 C ATOM 1572 C TYR A 95 -2.662 -8.164 -4.130 1.00 0.00 C ATOM 1573 O TYR A 95 -1.648 -8.823 -4.019 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.155 -7.204 -1.874 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.298 -6.432 -1.255 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -4.656 -5.179 -1.770 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.998 -6.970 -0.167 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.715 -4.463 -1.197 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -6.058 -6.253 0.406 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.416 -5.000 -0.109 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.459 -4.294 0.456 1.00 0.00 O ATOM 0 H TYR A 95 -3.194 -9.845 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.621 -7.674 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.662 -7.813 -1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.407 -6.515 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.116 -4.765 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.721 -7.936 0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.991 -3.497 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.599 -6.667 1.244 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.838 -4.809 1.199 1.00 0.00 H new ATOM 1591 N VAL A 96 -2.917 -7.494 -5.221 1.00 0.00 N ATOM 1592 CA VAL A 96 -1.953 -7.534 -6.360 1.00 0.00 C ATOM 1593 C VAL A 96 -1.745 -6.125 -6.922 1.00 0.00 C ATOM 1594 O VAL A 96 -2.527 -5.226 -6.683 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.515 -8.434 -7.461 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.686 -8.264 -8.736 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.458 -9.894 -7.007 1.00 0.00 C ATOM 0 H VAL A 96 -3.748 -6.922 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.998 -7.924 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.550 -8.156 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.088 -8.906 -9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.728 -7.225 -9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.651 -8.540 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.859 -10.535 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.424 -10.172 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.051 -10.017 -6.101 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.698 -5.932 -7.680 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.439 -4.590 -8.277 1.00 0.00 C ATOM 1609 C ASP A 97 -0.940 -4.590 -9.725 1.00 0.00 C ATOM 1610 O ASP A 97 -0.974 -5.617 -10.374 1.00 0.00 O ATOM 1611 CB ASP A 97 1.063 -4.296 -8.249 1.00 0.00 C ATOM 1612 CG ASP A 97 1.495 -3.983 -6.814 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.623 -3.772 -5.987 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.689 -3.960 -6.566 1.00 0.00 O ATOM 0 H ASP A 97 -0.010 -6.648 -7.912 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.960 -3.822 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.619 -5.153 -8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.292 -3.453 -8.901 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.348 -3.459 -10.235 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.862 -3.428 -11.635 1.00 0.00 C ATOM 1621 C LEU A 98 -1.327 -2.206 -12.383 1.00 0.00 C ATOM 1622 O LEU A 98 -1.333 -1.095 -11.881 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.391 -3.372 -11.608 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.972 -4.431 -12.547 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.705 -4.026 -13.997 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.316 -5.786 -12.264 1.00 0.00 C ATOM 0 H LEU A 98 -1.348 -2.563 -9.748 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.526 -4.327 -12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.751 -3.538 -10.593 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.732 -2.381 -11.909 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.047 -4.510 -12.383 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.118 -4.780 -14.667 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.176 -3.064 -14.199 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.630 -3.946 -14.160 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.732 -6.539 -12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.241 -5.710 -12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.508 -6.075 -11.231 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.885 -2.409 -13.597 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.363 -1.282 -14.418 1.00 0.00 C ATOM 1640 C ARG A 99 -1.075 -1.298 -15.774 1.00 0.00 C ATOM 1641 O ARG A 99 -1.082 -2.297 -16.467 1.00 0.00 O ATOM 1642 CB ARG A 99 1.145 -1.456 -14.621 1.00 0.00 C ATOM 1643 CG ARG A 99 1.623 -0.550 -15.759 1.00 0.00 C ATOM 1644 CD ARG A 99 3.113 -0.791 -16.012 1.00 0.00 C ATOM 1645 NE ARG A 99 3.294 -2.088 -16.722 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.183 -2.947 -16.297 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.216 -2.534 -15.617 1.00 0.00 N ATOM 1648 NH2 ARG A 99 4.036 -4.218 -16.554 1.00 0.00 N ATOM 0 H ARG A 99 -0.864 -3.319 -14.057 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.545 -0.332 -13.915 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.676 -1.211 -13.701 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.372 -2.497 -14.852 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.052 -0.754 -16.665 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.451 0.495 -15.502 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.528 0.022 -16.607 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.656 -0.803 -15.067 1.00 0.00 H new ATOM 0 HE ARG A 99 2.724 -2.306 -17.540 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.331 -1.540 -15.417 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.910 -3.204 -15.285 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.228 -4.541 -17.086 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.729 -4.889 -16.223 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.686 -0.209 -16.156 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.404 -0.182 -17.463 1.00 0.00 C ATOM 1664 C ARG A 100 -1.557 0.544 -18.510 1.00 0.00 C ATOM 1665 O ARG A 100 -0.687 1.327 -18.187 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.739 0.546 -17.296 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.645 0.229 -18.487 1.00 0.00 C ATOM 1668 CD ARG A 100 -6.111 0.329 -18.059 1.00 0.00 C ATOM 1669 NE ARG A 100 -6.912 0.924 -19.164 1.00 0.00 N ATOM 1670 CZ ARG A 100 -7.217 0.207 -20.211 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.299 -0.086 -21.092 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -8.439 -0.220 -20.377 1.00 0.00 N ATOM 0 H ARG A 100 -1.719 0.660 -15.622 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.582 -1.205 -17.794 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.220 0.238 -16.368 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.573 1.621 -17.228 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.446 0.924 -19.303 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.433 -0.772 -18.862 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.496 -0.660 -17.808 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.198 0.942 -17.162 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.223 1.894 -19.103 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.343 0.245 -20.962 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.538 -0.646 -21.910 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.156 0.007 -19.688 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.677 -0.780 -21.196 1.00 0.00 H new