USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=6 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=-0.00448 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.793 X(o=-0.79,f=-0.44) USER MOD Single : A 59 CYS SG : rot -157:sc= -4.46! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -150:sc= -3.92! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.742 -10.512 -15.210 1.00 0.00 N ATOM 538 CA GLY A 33 4.825 -10.298 -16.684 1.00 0.00 C ATOM 539 C GLY A 33 3.759 -11.143 -17.383 1.00 0.00 C ATOM 540 O GLY A 33 4.027 -12.229 -17.858 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.679 -9.243 -16.918 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.816 -10.571 -17.047 1.00 0.00 H new ATOM 544 N SER A 34 2.551 -10.655 -17.450 1.00 0.00 N ATOM 545 CA SER A 34 1.468 -11.432 -18.118 1.00 0.00 C ATOM 546 C SER A 34 0.243 -10.535 -18.308 1.00 0.00 C ATOM 547 O SER A 34 0.003 -9.626 -17.539 1.00 0.00 O ATOM 548 CB SER A 34 1.092 -12.633 -17.250 1.00 0.00 C ATOM 549 OG SER A 34 -0.227 -13.052 -17.573 1.00 0.00 O ATOM 0 H SER A 34 2.267 -9.752 -17.071 1.00 0.00 H new ATOM 0 HA SER A 34 1.817 -11.783 -19.089 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.796 -13.449 -17.414 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.153 -12.367 -16.195 1.00 0.00 H new ATOM 0 HG SER A 34 -0.470 -13.823 -17.019 1.00 0.00 H new ATOM 555 N VAL A 35 -0.535 -10.783 -19.325 1.00 0.00 N ATOM 556 CA VAL A 35 -1.743 -9.942 -19.558 1.00 0.00 C ATOM 557 C VAL A 35 -2.987 -10.701 -19.094 1.00 0.00 C ATOM 558 O VAL A 35 -2.960 -11.901 -18.905 1.00 0.00 O ATOM 559 CB VAL A 35 -1.869 -9.627 -21.048 1.00 0.00 C ATOM 560 CG1 VAL A 35 -2.974 -8.592 -21.260 1.00 0.00 C ATOM 561 CG2 VAL A 35 -0.542 -9.068 -21.563 1.00 0.00 C ATOM 0 H VAL A 35 -0.387 -11.530 -20.004 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.650 -9.012 -18.997 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.117 -10.538 -21.592 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.063 -8.368 -22.323 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.920 -8.989 -20.892 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.728 -7.680 -20.716 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.630 -8.843 -22.626 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.295 -8.157 -21.018 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.246 -9.806 -21.413 1.00 0.00 H new ATOM 571 N HIS A 36 -4.080 -10.012 -18.910 1.00 0.00 N ATOM 572 CA HIS A 36 -5.323 -10.698 -18.460 1.00 0.00 C ATOM 573 C HIS A 36 -6.496 -9.716 -18.490 1.00 0.00 C ATOM 574 O HIS A 36 -6.313 -8.517 -18.552 1.00 0.00 O ATOM 575 CB HIS A 36 -5.132 -11.218 -17.034 1.00 0.00 C ATOM 576 CG HIS A 36 -5.627 -12.635 -16.949 1.00 0.00 C ATOM 577 ND1 HIS A 36 -6.828 -12.964 -16.339 1.00 0.00 N ATOM 578 CD2 HIS A 36 -5.099 -13.820 -17.397 1.00 0.00 C ATOM 579 CE1 HIS A 36 -6.981 -14.297 -16.436 1.00 0.00 C ATOM 580 NE2 HIS A 36 -5.954 -14.868 -17.072 1.00 0.00 N ATOM 0 H HIS A 36 -4.165 -9.006 -19.052 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.534 -11.533 -19.128 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.079 -11.172 -16.756 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.676 -10.588 -16.330 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.161 -13.923 -17.923 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.830 -14.839 -16.047 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.825 -15.859 -17.275 1.00 0.00 H new ATOM 588 N GLU A 37 -7.699 -10.218 -18.441 1.00 0.00 N ATOM 589 CA GLU A 37 -8.883 -9.316 -18.462 1.00 0.00 C ATOM 590 C GLU A 37 -9.429 -9.165 -17.041 1.00 0.00 C ATOM 591 O GLU A 37 -9.442 -10.103 -16.268 1.00 0.00 O ATOM 592 CB GLU A 37 -9.962 -9.910 -19.367 1.00 0.00 C ATOM 593 CG GLU A 37 -9.381 -10.152 -20.762 1.00 0.00 C ATOM 594 CD GLU A 37 -8.675 -11.509 -20.791 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.362 -12.514 -20.700 1.00 0.00 O ATOM 596 OE2 GLU A 37 -7.460 -11.521 -20.904 1.00 0.00 O ATOM 0 H GLU A 37 -7.913 -11.214 -18.387 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.591 -8.338 -18.845 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.329 -10.846 -18.947 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.814 -9.233 -19.429 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.175 -10.127 -21.508 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.679 -9.359 -21.018 1.00 0.00 H new ATOM 603 N GLY A 38 -9.873 -7.990 -16.690 1.00 0.00 N ATOM 604 CA GLY A 38 -10.412 -7.775 -15.317 1.00 0.00 C ATOM 605 C GLY A 38 -11.420 -6.627 -15.342 1.00 0.00 C ATOM 606 O GLY A 38 -11.633 -5.998 -16.358 1.00 0.00 O ATOM 0 H GLY A 38 -9.886 -7.169 -17.295 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.890 -8.685 -14.955 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.600 -7.546 -14.627 1.00 0.00 H new ATOM 610 N ILE A 39 -12.044 -6.346 -14.231 1.00 0.00 N ATOM 611 CA ILE A 39 -13.036 -5.236 -14.197 1.00 0.00 C ATOM 612 C ILE A 39 -12.355 -3.980 -13.655 1.00 0.00 C ATOM 613 O ILE A 39 -11.379 -4.057 -12.935 1.00 0.00 O ATOM 614 CB ILE A 39 -14.201 -5.620 -13.284 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.687 -7.026 -13.641 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.345 -4.623 -13.471 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.806 -7.440 -12.683 1.00 0.00 C ATOM 0 H ILE A 39 -11.910 -6.837 -13.347 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.414 -5.047 -15.202 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.870 -5.603 -12.246 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.048 -7.047 -14.669 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.861 -7.734 -13.579 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.176 -4.896 -12.820 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.000 -3.621 -13.217 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.676 -4.640 -14.509 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.151 -8.442 -12.938 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.429 -7.436 -11.660 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.635 -6.738 -12.767 1.00 0.00 H new ATOM 629 N VAL A 40 -12.848 -2.821 -14.001 1.00 0.00 N ATOM 630 CA VAL A 40 -12.202 -1.572 -13.505 1.00 0.00 C ATOM 631 C VAL A 40 -12.963 -1.030 -12.294 1.00 0.00 C ATOM 632 O VAL A 40 -14.154 -1.219 -12.158 1.00 0.00 O ATOM 633 CB VAL A 40 -12.204 -0.522 -14.616 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.673 0.803 -14.065 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.306 -0.991 -15.763 1.00 0.00 C ATOM 0 H VAL A 40 -13.662 -2.685 -14.600 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.177 -1.796 -13.211 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.221 -0.383 -14.983 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.674 1.553 -14.856 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.310 1.138 -13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.656 0.663 -13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.307 -0.243 -16.555 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.289 -1.129 -15.396 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.681 -1.936 -16.156 1.00 0.00 H new ATOM 645 N TYR A 41 -12.278 -0.357 -11.412 1.00 0.00 N ATOM 646 CA TYR A 41 -12.950 0.205 -10.208 1.00 0.00 C ATOM 647 C TYR A 41 -12.350 1.577 -9.893 1.00 0.00 C ATOM 648 O TYR A 41 -11.225 1.868 -10.248 1.00 0.00 O ATOM 649 CB TYR A 41 -12.731 -0.733 -9.020 1.00 0.00 C ATOM 650 CG TYR A 41 -13.657 -0.344 -7.892 1.00 0.00 C ATOM 651 CD1 TYR A 41 -14.975 -0.820 -7.875 1.00 0.00 C ATOM 652 CD2 TYR A 41 -13.198 0.489 -6.865 1.00 0.00 C ATOM 653 CE1 TYR A 41 -15.834 -0.461 -6.828 1.00 0.00 C ATOM 654 CE2 TYR A 41 -14.058 0.848 -5.817 1.00 0.00 C ATOM 655 CZ TYR A 41 -15.376 0.373 -5.799 1.00 0.00 C ATOM 656 OH TYR A 41 -16.223 0.727 -4.770 1.00 0.00 O ATOM 0 H TYR A 41 -11.277 -0.171 -11.474 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.019 0.307 -10.396 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.918 -1.765 -9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.694 -0.680 -8.688 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.328 -1.463 -8.668 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.182 0.855 -6.880 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.850 -0.827 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.704 1.490 -5.024 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.748 1.308 -4.140 1.00 0.00 H new ATOM 666 N PHE A 42 -13.090 2.424 -9.232 1.00 0.00 N ATOM 667 CA PHE A 42 -12.555 3.775 -8.902 1.00 0.00 C ATOM 668 C PHE A 42 -12.223 3.845 -7.409 1.00 0.00 C ATOM 669 O PHE A 42 -13.058 3.591 -6.564 1.00 0.00 O ATOM 670 CB PHE A 42 -13.604 4.839 -9.247 1.00 0.00 C ATOM 671 CG PHE A 42 -14.705 4.828 -8.212 1.00 0.00 C ATOM 672 CD1 PHE A 42 -15.778 3.936 -8.340 1.00 0.00 C ATOM 673 CD2 PHE A 42 -14.651 5.708 -7.124 1.00 0.00 C ATOM 674 CE1 PHE A 42 -16.797 3.926 -7.379 1.00 0.00 C ATOM 675 CE2 PHE A 42 -15.670 5.698 -6.163 1.00 0.00 C ATOM 676 CZ PHE A 42 -16.743 4.807 -6.291 1.00 0.00 C ATOM 0 H PHE A 42 -14.039 2.240 -8.907 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.650 3.958 -9.481 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.138 5.824 -9.285 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.020 4.645 -10.236 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.819 3.257 -9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.823 6.395 -7.026 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.625 3.239 -7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -15.628 6.377 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.529 4.799 -5.551 1.00 0.00 H new ATOM 727 N ILE A 46 -6.673 6.205 -6.771 1.00 0.00 N ATOM 728 CA ILE A 46 -5.998 5.253 -7.698 1.00 0.00 C ATOM 729 C ILE A 46 -7.046 4.378 -8.392 1.00 0.00 C ATOM 730 O ILE A 46 -8.234 4.575 -8.234 1.00 0.00 O ATOM 731 CB ILE A 46 -5.037 4.366 -6.905 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.680 3.983 -5.570 1.00 0.00 C ATOM 733 CG2 ILE A 46 -3.737 5.130 -6.641 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.031 2.704 -5.040 1.00 0.00 C ATOM 0 HA ILE A 46 -5.442 5.813 -8.449 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.820 3.464 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.557 4.792 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.752 3.833 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.052 4.498 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.277 5.405 -7.590 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.955 6.032 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.489 2.431 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.177 1.897 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.964 2.871 -4.894 1.00 0.00 H new ATOM 746 N PHE A 47 -6.616 3.412 -9.160 1.00 0.00 N ATOM 747 CA PHE A 47 -7.591 2.529 -9.859 1.00 0.00 C ATOM 748 C PHE A 47 -7.592 1.150 -9.197 1.00 0.00 C ATOM 749 O PHE A 47 -6.653 0.773 -8.524 1.00 0.00 O ATOM 750 CB PHE A 47 -7.191 2.391 -11.329 1.00 0.00 C ATOM 751 CG PHE A 47 -7.664 3.603 -12.094 1.00 0.00 C ATOM 752 CD1 PHE A 47 -7.330 4.888 -11.645 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.440 3.444 -13.250 1.00 0.00 C ATOM 754 CE1 PHE A 47 -7.770 6.014 -12.352 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.881 4.571 -13.958 1.00 0.00 C ATOM 756 CZ PHE A 47 -8.546 5.856 -13.509 1.00 0.00 C ATOM 0 H PHE A 47 -5.634 3.198 -9.332 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.588 2.964 -9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.109 2.293 -11.415 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.628 1.487 -11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.733 5.010 -10.753 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.698 2.454 -13.595 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.512 7.004 -12.006 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.479 4.449 -14.849 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.886 6.724 -14.054 1.00 0.00 H new ATOM 766 N LYS A 48 -8.639 0.392 -9.381 1.00 0.00 N ATOM 767 CA LYS A 48 -8.693 -0.959 -8.757 1.00 0.00 C ATOM 768 C LYS A 48 -9.160 -1.988 -9.790 1.00 0.00 C ATOM 769 O LYS A 48 -10.175 -1.817 -10.435 1.00 0.00 O ATOM 770 CB LYS A 48 -9.671 -0.937 -7.581 1.00 0.00 C ATOM 771 CG LYS A 48 -8.924 -1.265 -6.286 1.00 0.00 C ATOM 772 CD LYS A 48 -9.766 -0.823 -5.086 1.00 0.00 C ATOM 773 CE LYS A 48 -11.108 -1.559 -5.104 1.00 0.00 C ATOM 774 NZ LYS A 48 -11.056 -2.711 -4.161 1.00 0.00 N ATOM 0 H LYS A 48 -9.456 0.649 -9.935 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.699 -1.232 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.140 0.044 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.470 -1.660 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.724 -2.335 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.958 -0.760 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.235 -1.036 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.930 0.254 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.911 -0.879 -4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.329 -1.910 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.968 -3.211 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.300 -3.363 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.864 -2.364 -3.199 1.00 0.00 H new ATOM 788 N VAL A 49 -8.431 -3.059 -9.946 1.00 0.00 N ATOM 789 CA VAL A 49 -8.834 -4.104 -10.930 1.00 0.00 C ATOM 790 C VAL A 49 -9.380 -5.314 -10.171 1.00 0.00 C ATOM 791 O VAL A 49 -8.689 -5.925 -9.383 1.00 0.00 O ATOM 792 CB VAL A 49 -7.620 -4.528 -11.758 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.084 -5.065 -13.113 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.708 -3.320 -11.976 1.00 0.00 C ATOM 0 H VAL A 49 -7.572 -3.256 -9.433 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.600 -3.706 -11.596 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.074 -5.308 -11.227 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.217 -5.366 -13.701 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.735 -5.925 -12.960 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.631 -4.286 -13.645 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.842 -3.620 -12.566 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.256 -2.541 -12.506 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.375 -2.937 -11.011 1.00 0.00 H new ATOM 804 N ARG A 50 -10.618 -5.661 -10.394 1.00 0.00 N ATOM 805 CA ARG A 50 -11.200 -6.827 -9.672 1.00 0.00 C ATOM 806 C ARG A 50 -11.181 -8.061 -10.577 1.00 0.00 C ATOM 807 O ARG A 50 -11.761 -8.070 -11.646 1.00 0.00 O ATOM 808 CB ARG A 50 -12.640 -6.506 -9.271 1.00 0.00 C ATOM 809 CG ARG A 50 -12.751 -6.489 -7.745 1.00 0.00 C ATOM 810 CD ARG A 50 -12.859 -7.923 -7.226 1.00 0.00 C ATOM 811 NE ARG A 50 -13.427 -7.912 -5.848 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.625 -7.438 -5.641 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.605 -7.766 -6.437 1.00 0.00 N ATOM 814 NH2 ARG A 50 -14.843 -6.635 -4.636 1.00 0.00 N ATOM 0 H ARG A 50 -11.249 -5.190 -11.042 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.609 -7.031 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.936 -5.539 -9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.320 -7.249 -9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.879 -5.999 -7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.625 -5.914 -7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.493 -8.514 -7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.876 -8.394 -7.222 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.880 -8.275 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.435 -8.394 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.541 -7.395 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.077 -6.378 -4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.779 -6.264 -4.473 1.00 0.00 H new ATOM 828 N LEU A 51 -10.523 -9.108 -10.155 1.00 0.00 N ATOM 829 CA LEU A 51 -10.471 -10.343 -10.988 1.00 0.00 C ATOM 830 C LEU A 51 -11.672 -11.230 -10.650 1.00 0.00 C ATOM 831 O LEU A 51 -11.540 -12.255 -10.009 1.00 0.00 O ATOM 832 CB LEU A 51 -9.175 -11.104 -10.696 1.00 0.00 C ATOM 833 CG LEU A 51 -8.276 -11.079 -11.935 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.520 -9.751 -11.992 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.274 -12.233 -11.860 1.00 0.00 C ATOM 0 H LEU A 51 -10.020 -9.161 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.500 -10.073 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.658 -10.651 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.400 -12.134 -10.418 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.889 -11.186 -12.830 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.880 -9.734 -12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.233 -8.928 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.907 -9.643 -11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.633 -12.216 -12.742 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.662 -12.126 -10.964 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.812 -13.180 -11.820 1.00 0.00 H new ATOM 847 N LEU A 52 -12.843 -10.840 -11.071 1.00 0.00 N ATOM 848 CA LEU A 52 -14.056 -11.655 -10.773 1.00 0.00 C ATOM 849 C LEU A 52 -14.020 -12.947 -11.593 1.00 0.00 C ATOM 850 O LEU A 52 -13.832 -12.928 -12.793 1.00 0.00 O ATOM 851 CB LEU A 52 -15.306 -10.852 -11.141 1.00 0.00 C ATOM 852 CG LEU A 52 -16.537 -11.498 -10.501 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.209 -10.497 -9.561 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.525 -11.906 -11.597 1.00 0.00 C ATOM 0 H LEU A 52 -13.013 -9.991 -11.610 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.078 -11.902 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.203 -9.822 -10.798 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.423 -10.817 -12.224 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.232 -12.379 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.086 -10.958 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.507 -10.203 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.514 -9.616 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.402 -12.366 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.829 -11.023 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.048 -12.619 -12.270 1.00 0.00 H new ATOM 866 N GLY A 53 -14.203 -14.071 -10.954 1.00 0.00 N ATOM 867 CA GLY A 53 -14.184 -15.362 -11.700 1.00 0.00 C ATOM 868 C GLY A 53 -13.049 -16.239 -11.173 1.00 0.00 C ATOM 869 O GLY A 53 -13.157 -17.449 -11.127 1.00 0.00 O ATOM 0 H GLY A 53 -14.364 -14.151 -9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.138 -15.875 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.050 -15.176 -12.766 1.00 0.00 H new ATOM 873 N TYR A 54 -11.960 -15.642 -10.775 1.00 0.00 N ATOM 874 CA TYR A 54 -10.820 -16.443 -10.251 1.00 0.00 C ATOM 875 C TYR A 54 -11.131 -16.904 -8.829 1.00 0.00 C ATOM 876 O TYR A 54 -11.373 -18.068 -8.579 1.00 0.00 O ATOM 877 CB TYR A 54 -9.552 -15.587 -10.244 1.00 0.00 C ATOM 878 CG TYR A 54 -8.357 -16.452 -10.571 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.371 -17.816 -10.252 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.234 -15.890 -11.194 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.263 -18.619 -10.554 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.125 -16.693 -11.497 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.141 -18.058 -11.177 1.00 0.00 C ATOM 884 OH TYR A 54 -5.048 -18.848 -11.474 1.00 0.00 O ATOM 0 H TYR A 54 -11.811 -14.633 -10.790 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.666 -17.313 -10.889 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.641 -14.781 -10.972 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.421 -15.121 -9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.237 -18.249 -9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.223 -14.839 -11.441 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.274 -19.670 -10.306 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.259 -16.260 -11.976 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.357 -18.302 -11.905 1.00 0.00 H new ATOM 894 N GLU A 55 -11.127 -15.998 -7.894 1.00 0.00 N ATOM 895 CA GLU A 55 -11.421 -16.380 -6.483 1.00 0.00 C ATOM 896 C GLU A 55 -11.394 -15.133 -5.599 1.00 0.00 C ATOM 897 O GLU A 55 -10.668 -15.064 -4.628 1.00 0.00 O ATOM 898 CB GLU A 55 -10.367 -17.374 -5.993 1.00 0.00 C ATOM 899 CG GLU A 55 -11.055 -18.547 -5.289 1.00 0.00 C ATOM 900 CD GLU A 55 -10.023 -19.632 -4.978 1.00 0.00 C ATOM 901 OE1 GLU A 55 -8.921 -19.541 -5.495 1.00 0.00 O ATOM 902 OE2 GLU A 55 -10.352 -20.536 -4.228 1.00 0.00 O ATOM 0 H GLU A 55 -10.933 -15.008 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.408 -16.840 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.776 -17.737 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.677 -16.880 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.528 -18.205 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.845 -18.952 -5.922 1.00 0.00 H new ATOM 909 N GLY A 56 -12.180 -14.145 -5.929 1.00 0.00 N ATOM 910 CA GLY A 56 -12.196 -12.903 -5.107 1.00 0.00 C ATOM 911 C GLY A 56 -10.855 -12.184 -5.249 1.00 0.00 C ATOM 912 O GLY A 56 -10.582 -11.219 -4.562 1.00 0.00 O ATOM 0 H GLY A 56 -12.811 -14.144 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.007 -12.250 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.381 -13.148 -4.061 1.00 0.00 H new ATOM 916 N HIS A 57 -10.014 -12.642 -6.135 1.00 0.00 N ATOM 917 CA HIS A 57 -8.692 -11.980 -6.319 1.00 0.00 C ATOM 918 C HIS A 57 -8.898 -10.468 -6.427 1.00 0.00 C ATOM 919 O HIS A 57 -9.554 -9.983 -7.328 1.00 0.00 O ATOM 920 CB HIS A 57 -8.033 -12.500 -7.598 1.00 0.00 C ATOM 921 CG HIS A 57 -6.744 -13.195 -7.254 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.982 -13.849 -8.209 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.071 -13.350 -6.067 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.904 -14.362 -7.586 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.909 -14.086 -6.280 1.00 0.00 N ATOM 0 H HIS A 57 -10.185 -13.446 -6.739 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.049 -12.202 -5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.704 -13.189 -8.111 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.841 -11.674 -8.282 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.394 -12.960 -5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.130 -14.928 -8.083 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.211 -14.356 -5.587 1.00 0.00 H new ATOM 933 N GLU A 58 -8.344 -9.717 -5.514 1.00 0.00 N ATOM 934 CA GLU A 58 -8.513 -8.237 -5.564 1.00 0.00 C ATOM 935 C GLU A 58 -7.207 -7.584 -6.023 1.00 0.00 C ATOM 936 O GLU A 58 -6.218 -7.585 -5.316 1.00 0.00 O ATOM 937 CB GLU A 58 -8.881 -7.720 -4.172 1.00 0.00 C ATOM 938 CG GLU A 58 -9.532 -6.341 -4.294 1.00 0.00 C ATOM 939 CD GLU A 58 -9.355 -5.574 -2.982 1.00 0.00 C ATOM 940 OE1 GLU A 58 -8.219 -5.309 -2.622 1.00 0.00 O ATOM 941 OE2 GLU A 58 -10.356 -5.264 -2.360 1.00 0.00 O ATOM 0 H GLU A 58 -7.782 -10.064 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.307 -7.987 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.565 -8.414 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.989 -7.659 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.080 -5.786 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.592 -6.447 -4.525 1.00 0.00 H new ATOM 948 N CYS A 59 -7.199 -7.024 -7.201 1.00 0.00 N ATOM 949 CA CYS A 59 -5.961 -6.366 -7.706 1.00 0.00 C ATOM 950 C CYS A 59 -6.171 -4.851 -7.740 1.00 0.00 C ATOM 951 O CYS A 59 -7.280 -4.367 -7.635 1.00 0.00 O ATOM 952 CB CYS A 59 -5.653 -6.872 -9.117 1.00 0.00 C ATOM 953 SG CYS A 59 -5.817 -8.674 -9.159 1.00 0.00 S ATOM 0 H CYS A 59 -7.997 -6.994 -7.836 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.126 -6.603 -7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.335 -6.417 -9.835 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.644 -6.581 -9.407 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.119 -9.150 -10.147 1.00 0.00 H new ATOM 959 N ILE A 60 -5.115 -4.099 -7.884 1.00 0.00 N ATOM 960 CA ILE A 60 -5.258 -2.617 -7.922 1.00 0.00 C ATOM 961 C ILE A 60 -4.431 -2.054 -9.079 1.00 0.00 C ATOM 962 O ILE A 60 -3.301 -2.443 -9.291 1.00 0.00 O ATOM 963 CB ILE A 60 -4.762 -2.025 -6.602 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.402 -2.633 -6.251 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.764 -2.344 -5.491 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.484 -1.546 -5.689 1.00 0.00 C ATOM 0 H ILE A 60 -4.160 -4.446 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.306 -2.355 -8.066 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.663 -0.944 -6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.527 -3.431 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.952 -3.080 -7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.411 -1.922 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.733 -1.913 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.863 -3.425 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.516 -1.980 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.349 -0.763 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.932 -1.119 -4.792 1.00 0.00 H new ATOM 978 N LEU A 61 -4.984 -1.142 -9.831 1.00 0.00 N ATOM 979 CA LEU A 61 -4.223 -0.560 -10.975 1.00 0.00 C ATOM 980 C LEU A 61 -3.619 0.781 -10.557 1.00 0.00 C ATOM 981 O LEU A 61 -4.303 1.657 -10.061 1.00 0.00 O ATOM 982 CB LEU A 61 -5.167 -0.345 -12.161 1.00 0.00 C ATOM 983 CG LEU A 61 -4.359 0.093 -13.385 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.034 -1.127 -14.247 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.182 1.090 -14.205 1.00 0.00 C ATOM 0 H LEU A 61 -5.927 -0.775 -9.704 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.425 -1.244 -11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.708 -1.265 -12.380 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.912 0.412 -11.914 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.432 0.564 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.459 -0.814 -15.118 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.451 -1.840 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.961 -1.598 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.609 1.404 -15.078 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.108 0.617 -14.530 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.415 1.960 -13.592 1.00 0.00 H new ATOM 997 N LEU A 62 -2.340 0.949 -10.756 1.00 0.00 N ATOM 998 CA LEU A 62 -1.693 2.234 -10.372 1.00 0.00 C ATOM 999 C LEU A 62 -0.607 2.581 -11.389 1.00 0.00 C ATOM 1000 O LEU A 62 -0.508 3.702 -11.848 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.066 2.097 -8.982 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.266 3.360 -8.655 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.108 4.597 -8.975 1.00 0.00 C ATOM 1004 CD2 LEU A 62 0.098 3.362 -7.170 1.00 0.00 C ATOM 0 H LEU A 62 -1.717 0.253 -11.167 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.442 3.026 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.844 1.943 -8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.415 1.223 -8.950 1.00 0.00 H new ATOM 0 HG LEU A 62 0.645 3.377 -9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.537 5.496 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.368 4.597 -10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.020 4.581 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.668 4.261 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.813 3.344 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.699 2.482 -6.942 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.026 3.669 -16.653 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.331 2.903 -15.579 1.00 0.00 C ATOM 1326 C VAL A 80 -16.135 1.647 -15.249 1.00 0.00 C ATOM 1327 O VAL A 80 -17.281 1.512 -15.633 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.206 3.772 -14.329 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.403 3.023 -13.264 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.485 5.074 -14.685 1.00 0.00 C ATOM 0 HA VAL A 80 -14.336 2.619 -15.922 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.200 3.998 -13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.314 3.643 -12.372 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.913 2.094 -13.010 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.409 2.797 -13.650 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.395 5.695 -13.794 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.491 4.846 -15.070 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.055 5.609 -15.445 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.547 0.724 -14.543 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.279 -0.524 -14.195 1.00 0.00 C ATOM 1342 C GLY A 81 -16.137 -1.532 -15.337 1.00 0.00 C ATOM 1343 O GLY A 81 -15.870 -2.698 -15.117 1.00 0.00 O ATOM 0 H GLY A 81 -14.591 0.780 -14.192 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.882 -0.946 -13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.332 -0.304 -14.018 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.318 -1.087 -16.554 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.203 -2.008 -17.723 1.00 0.00 C ATOM 1349 C ARG A 82 -14.989 -2.926 -17.561 1.00 0.00 C ATOM 1350 O ARG A 82 -14.183 -2.763 -16.666 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.046 -1.180 -19.001 1.00 0.00 C ATOM 1352 CG ARG A 82 -17.359 -0.455 -19.303 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.993 -1.049 -20.560 1.00 0.00 C ATOM 1354 NE ARG A 82 -19.478 -0.974 -20.449 1.00 0.00 N ATOM 1355 CZ ARG A 82 -20.217 -1.941 -20.921 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -19.978 -2.424 -22.111 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -21.194 -2.425 -20.204 1.00 0.00 N ATOM 0 H ARG A 82 -16.542 -0.120 -16.789 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.102 -2.621 -17.783 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.238 -0.458 -18.882 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.775 -1.827 -19.835 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.042 -0.551 -18.459 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.174 0.610 -19.445 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.655 -0.505 -21.442 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.679 -2.085 -20.684 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.916 -0.167 -20.004 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.214 -2.046 -22.671 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.555 -3.180 -22.480 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.380 -2.048 -19.275 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.771 -3.181 -20.573 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.851 -3.891 -18.430 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.693 -4.821 -18.334 1.00 0.00 C ATOM 1373 C VAL A 83 -12.598 -4.362 -19.296 1.00 0.00 C ATOM 1374 O VAL A 83 -12.867 -3.942 -20.404 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.142 -6.236 -18.709 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.917 -7.138 -18.865 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.044 -6.792 -17.604 1.00 0.00 C ATOM 0 H VAL A 83 -15.492 -4.074 -19.202 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.308 -4.822 -17.314 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.692 -6.205 -19.650 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.238 -8.145 -19.132 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.272 -6.743 -19.650 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.367 -7.170 -17.925 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.365 -7.799 -17.869 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.492 -6.822 -16.665 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.918 -6.151 -17.491 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.365 -4.424 -18.877 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.254 -3.975 -19.760 1.00 0.00 C ATOM 1389 C ILE A 84 -9.097 -4.974 -19.682 1.00 0.00 C ATOM 1390 O ILE A 84 -9.049 -5.817 -18.806 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.775 -2.600 -19.292 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.664 -2.591 -17.764 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.782 -1.534 -19.728 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -8.576 -3.571 -17.319 1.00 0.00 C ATOM 0 H ILE A 84 -11.079 -4.767 -17.960 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.604 -3.915 -20.791 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.801 -2.387 -19.732 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.428 -1.587 -17.413 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.620 -2.867 -17.319 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.441 -0.554 -19.395 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.869 -1.538 -20.815 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.755 -1.750 -19.286 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.500 -3.561 -16.232 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.831 -4.576 -17.656 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.620 -3.275 -17.752 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.159 -4.882 -20.584 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.001 -5.818 -20.554 1.00 0.00 C ATOM 1408 C LYS A 85 -5.793 -5.099 -19.953 1.00 0.00 C ATOM 1409 O LYS A 85 -5.437 -4.013 -20.367 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.671 -6.271 -21.978 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.327 -5.051 -22.834 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.065 -5.494 -24.275 1.00 0.00 C ATOM 1413 CE LYS A 85 -7.397 -5.676 -25.004 1.00 0.00 C ATOM 1414 NZ LYS A 85 -7.148 -6.265 -26.349 1.00 0.00 N ATOM 0 H LYS A 85 -8.145 -4.198 -21.341 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.249 -6.690 -19.948 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.832 -6.967 -21.964 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.520 -6.803 -22.408 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.146 -4.332 -22.807 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.448 -4.548 -22.432 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.455 -4.751 -24.790 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.504 -6.428 -24.283 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.055 -6.326 -24.426 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.904 -4.716 -25.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.053 -6.390 -26.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.536 -5.629 -26.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.681 -7.188 -26.243 1.00 0.00 H new ATOM 1428 N THR A 86 -5.163 -5.687 -18.973 1.00 0.00 N ATOM 1429 CA THR A 86 -3.985 -5.023 -18.346 1.00 0.00 C ATOM 1430 C THR A 86 -2.921 -6.067 -18.005 1.00 0.00 C ATOM 1431 O THR A 86 -3.124 -7.255 -18.169 1.00 0.00 O ATOM 1432 CB THR A 86 -4.425 -4.313 -17.066 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.098 -5.236 -16.222 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.365 -3.158 -17.416 1.00 0.00 C ATOM 0 H THR A 86 -5.412 -6.595 -18.581 1.00 0.00 H new ATOM 0 HA THR A 86 -3.567 -4.298 -19.045 1.00 0.00 H new ATOM 0 HB THR A 86 -3.549 -3.920 -16.550 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.764 -4.761 -15.683 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.677 -2.653 -16.502 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.846 -2.450 -18.062 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.242 -3.547 -17.934 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.786 -5.628 -17.531 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.701 -6.584 -17.176 1.00 0.00 C ATOM 1444 C ARG A 87 -0.676 -6.785 -15.660 1.00 0.00 C ATOM 1445 O ARG A 87 -1.205 -5.988 -14.908 1.00 0.00 O ATOM 1446 CB ARG A 87 0.643 -6.020 -17.637 1.00 0.00 C ATOM 1447 CG ARG A 87 0.780 -6.197 -19.150 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.451 -5.617 -19.846 1.00 0.00 C ATOM 1449 NE ARG A 87 -0.102 -5.240 -21.244 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.943 -5.478 -22.214 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -2.225 -5.325 -22.018 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.505 -5.870 -23.379 1.00 0.00 N ATOM 0 H ARG A 87 -1.564 -4.645 -17.374 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.882 -7.540 -17.667 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.715 -4.964 -17.376 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.458 -6.531 -17.125 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.681 -5.697 -19.505 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.885 -7.254 -19.395 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.259 -6.348 -19.847 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.811 -4.744 -19.302 1.00 0.00 H new ATOM 0 HE ARG A 87 0.794 -4.796 -21.444 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.569 -5.020 -21.108 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.882 -5.511 -22.775 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.496 -5.991 -23.533 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.164 -6.055 -24.135 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.058 -7.840 -15.205 1.00 0.00 N ATOM 1467 CA VAL A 88 0.004 -8.091 -13.740 1.00 0.00 C ATOM 1468 C VAL A 88 1.345 -7.591 -13.206 1.00 0.00 C ATOM 1469 O VAL A 88 2.389 -8.142 -13.495 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.126 -9.592 -13.475 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.426 -9.827 -11.994 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.268 -10.159 -14.323 1.00 0.00 C ATOM 0 H VAL A 88 0.406 -8.538 -15.785 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.810 -7.566 -13.240 1.00 0.00 H new ATOM 0 HB VAL A 88 0.807 -10.090 -13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.518 -10.897 -11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.385 -9.422 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.359 -9.330 -11.729 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.363 -11.229 -14.136 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.200 -9.660 -14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.055 -9.992 -15.379 1.00 0.00 H new ATOM 1482 N VAL A 89 1.324 -6.537 -12.440 1.00 0.00 N ATOM 1483 CA VAL A 89 2.593 -5.981 -11.896 1.00 0.00 C ATOM 1484 C VAL A 89 3.232 -6.979 -10.927 1.00 0.00 C ATOM 1485 O VAL A 89 4.434 -7.157 -10.910 1.00 0.00 O ATOM 1486 CB VAL A 89 2.296 -4.671 -11.165 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.509 -4.257 -10.328 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.992 -3.578 -12.192 1.00 0.00 C ATOM 0 H VAL A 89 0.479 -6.035 -12.166 1.00 0.00 H new ATOM 0 HA VAL A 89 3.286 -5.795 -12.717 1.00 0.00 H new ATOM 0 HB VAL A 89 1.437 -4.811 -10.508 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.292 -3.323 -9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.729 -5.035 -9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.371 -4.118 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.780 -2.642 -11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.853 -3.444 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.126 -3.868 -12.787 1.00 0.00 H new ATOM 1498 N ARG A 90 2.444 -7.629 -10.114 1.00 0.00 N ATOM 1499 CA ARG A 90 3.018 -8.607 -9.149 1.00 0.00 C ATOM 1500 C ARG A 90 1.900 -9.180 -8.277 1.00 0.00 C ATOM 1501 O ARG A 90 1.414 -8.536 -7.368 1.00 0.00 O ATOM 1502 CB ARG A 90 4.047 -7.903 -8.262 1.00 0.00 C ATOM 1503 CG ARG A 90 5.355 -8.696 -8.267 1.00 0.00 C ATOM 1504 CD ARG A 90 5.293 -9.791 -7.201 1.00 0.00 C ATOM 1505 NE ARG A 90 6.611 -9.889 -6.511 1.00 0.00 N ATOM 1506 CZ ARG A 90 6.686 -10.423 -5.323 1.00 0.00 C ATOM 1507 NH1 ARG A 90 6.385 -11.681 -5.153 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.062 -9.698 -4.305 1.00 0.00 N ATOM 0 H ARG A 90 1.430 -7.525 -10.077 1.00 0.00 H new ATOM 0 HA ARG A 90 3.502 -9.416 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.222 -6.890 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.666 -7.816 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.520 -9.139 -9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.196 -8.031 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.508 -9.566 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.039 -10.746 -7.660 1.00 0.00 H new ATOM 0 HE ARG A 90 7.453 -9.539 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.091 -12.247 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.444 -12.098 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.297 -8.714 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.121 -10.115 -3.376 1.00 0.00 H new ATOM 1522 N ALA A 91 1.488 -10.387 -8.549 1.00 0.00 N ATOM 1523 CA ALA A 91 0.403 -11.007 -7.738 1.00 0.00 C ATOM 1524 C ALA A 91 0.997 -11.605 -6.461 1.00 0.00 C ATOM 1525 O ALA A 91 1.871 -12.447 -6.506 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.273 -12.112 -8.552 1.00 0.00 C ATOM 0 H ALA A 91 1.856 -10.972 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.333 -10.247 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.067 -12.566 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.697 -11.686 -9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.463 -12.872 -8.816 1.00 0.00 H new ATOM 1532 N ASP A 92 0.529 -11.175 -5.321 1.00 0.00 N ATOM 1533 CA ASP A 92 1.065 -11.718 -4.041 1.00 0.00 C ATOM 1534 C ASP A 92 0.020 -11.538 -2.939 1.00 0.00 C ATOM 1535 O ASP A 92 -0.038 -10.515 -2.286 1.00 0.00 O ATOM 1536 CB ASP A 92 2.342 -10.964 -3.660 1.00 0.00 C ATOM 1537 CG ASP A 92 3.555 -11.869 -3.880 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.573 -12.570 -4.879 1.00 0.00 O ATOM 1539 OD2 ASP A 92 4.446 -11.846 -3.047 1.00 0.00 O ATOM 0 H ASP A 92 -0.202 -10.471 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 92 1.292 -12.777 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.436 -10.060 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.294 -10.650 -2.617 1.00 0.00 H new ATOM 1544 N GLY A 93 -0.810 -12.523 -2.729 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.854 -12.406 -1.673 1.00 0.00 C ATOM 1546 C GLY A 93 -3.169 -11.956 -2.312 1.00 0.00 C ATOM 1547 O GLY A 93 -3.261 -11.798 -3.513 1.00 0.00 O ATOM 0 H GLY A 93 -0.810 -13.404 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.989 -13.364 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.541 -11.689 -0.914 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.186 -11.749 -1.523 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.489 -11.310 -2.095 1.00 0.00 C ATOM 1553 C LEU A 94 -5.311 -9.958 -2.789 1.00 0.00 C ATOM 1554 O LEU A 94 -6.143 -9.533 -3.565 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.523 -11.180 -0.976 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.540 -12.317 -1.087 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.961 -13.585 -0.459 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.824 -11.926 -0.353 1.00 0.00 C ATOM 0 H LEU A 94 -4.172 -11.864 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.834 -12.047 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.029 -11.213 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.029 -10.217 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.763 -12.502 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.687 -14.394 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.046 -13.865 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.737 -13.401 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.549 -12.736 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.600 -11.740 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.239 -11.023 -0.801 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.230 -9.278 -2.518 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.001 -7.956 -3.166 1.00 0.00 C ATOM 1572 C TYR A 95 -2.896 -8.095 -4.216 1.00 0.00 C ATOM 1573 O TYR A 95 -1.811 -8.559 -3.931 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.576 -6.921 -2.116 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.085 -7.327 -0.752 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.460 -7.490 -0.537 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.181 -7.543 0.296 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.930 -7.868 0.728 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -3.651 -7.921 1.560 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.026 -8.083 1.776 1.00 0.00 C ATOM 1581 OH TYR A 95 -5.489 -8.456 3.022 1.00 0.00 O ATOM 0 H TYR A 95 -3.497 -9.581 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.925 -7.624 -3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.490 -6.836 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.968 -5.939 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.157 -7.325 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.121 -7.418 0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.990 -7.994 0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.954 -8.088 2.368 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.731 -8.565 3.633 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.166 -7.699 -5.430 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.134 -7.814 -6.499 1.00 0.00 C ATOM 1593 C VAL A 96 -1.875 -6.435 -7.108 1.00 0.00 C ATOM 1594 O VAL A 96 -2.679 -5.532 -6.989 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.641 -8.764 -7.585 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.673 -8.760 -8.772 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.743 -10.181 -7.016 1.00 0.00 C ATOM 0 H VAL A 96 -4.057 -7.301 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.208 -8.202 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.624 -8.433 -7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.039 -9.438 -9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.602 -7.752 -9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.688 -9.087 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.104 -10.859 -7.790 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.760 -10.509 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.437 -10.187 -6.176 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.763 -6.265 -7.770 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.464 -4.946 -8.395 1.00 0.00 C ATOM 1609 C ASP A 97 -0.847 -5.010 -9.876 1.00 0.00 C ATOM 1610 O ASP A 97 -0.780 -6.054 -10.494 1.00 0.00 O ATOM 1611 CB ASP A 97 1.028 -4.638 -8.253 1.00 0.00 C ATOM 1612 CG ASP A 97 1.397 -4.563 -6.771 1.00 0.00 C ATOM 1613 OD1 ASP A 97 1.055 -5.484 -6.047 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.015 -3.584 -6.383 1.00 0.00 O ATOM 0 H ASP A 97 -0.050 -6.982 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.033 -4.158 -7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.618 -5.411 -8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.263 -3.694 -8.745 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.274 -3.916 -10.446 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.686 -3.946 -11.879 1.00 0.00 C ATOM 1621 C LEU A 98 -1.070 -2.772 -12.643 1.00 0.00 C ATOM 1622 O LEU A 98 -1.073 -1.642 -12.186 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.213 -3.860 -11.958 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.749 -4.987 -12.842 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.353 -4.724 -14.296 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.155 -6.322 -12.384 1.00 0.00 C ATOM 0 H LEU A 98 -1.355 -3.009 -9.986 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.336 -4.874 -12.330 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.643 -3.933 -10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.512 -2.893 -12.364 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.835 -5.027 -12.762 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.734 -5.526 -14.928 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.776 -3.774 -14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.267 -4.684 -14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.537 -7.125 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.069 -6.283 -12.464 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.436 -6.509 -11.348 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.552 -3.036 -13.815 1.00 0.00 N ATOM 1639 CA ARG A 99 0.058 -1.952 -14.634 1.00 0.00 C ATOM 1640 C ARG A 99 -0.463 -2.057 -16.072 1.00 0.00 C ATOM 1641 O ARG A 99 -0.284 -3.060 -16.735 1.00 0.00 O ATOM 1642 CB ARG A 99 1.584 -2.105 -14.626 1.00 0.00 C ATOM 1643 CG ARG A 99 2.200 -1.299 -15.774 1.00 0.00 C ATOM 1644 CD ARG A 99 3.692 -1.090 -15.510 1.00 0.00 C ATOM 1645 NE ARG A 99 4.470 -2.176 -16.170 1.00 0.00 N ATOM 1646 CZ ARG A 99 5.265 -1.897 -17.167 1.00 0.00 C ATOM 1647 NH1 ARG A 99 6.226 -1.028 -17.012 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.099 -2.487 -18.319 1.00 0.00 N ATOM 0 H ARG A 99 -0.526 -3.963 -14.240 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.208 -0.980 -14.219 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.987 -1.761 -13.673 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.852 -3.157 -14.725 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.057 -1.824 -16.718 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.698 -0.336 -15.866 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.007 -0.119 -15.891 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.886 -1.089 -14.437 1.00 0.00 H new ATOM 0 HE ARG A 99 4.381 -3.138 -15.843 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.356 -0.567 -16.112 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.847 -0.810 -17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.348 -3.166 -18.441 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.720 -2.269 -19.098 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.103 -1.029 -16.560 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.628 -1.073 -17.955 1.00 0.00 C ATOM 1664 C ARG A 100 -0.499 -0.729 -18.927 1.00 0.00 C ATOM 1665 O ARG A 100 0.525 -0.204 -18.541 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.764 -0.058 -18.108 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.824 -0.616 -19.060 1.00 0.00 C ATOM 1668 CD ARG A 100 -3.999 0.335 -20.247 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.089 -0.168 -21.130 1.00 0.00 N ATOM 1670 CZ ARG A 100 -5.246 0.332 -22.326 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -4.589 1.406 -22.678 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.058 -0.241 -23.172 1.00 0.00 N ATOM 0 H ARG A 100 -1.285 -0.162 -16.054 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.007 -2.071 -18.173 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.209 0.155 -17.136 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.374 0.884 -18.493 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.527 -1.604 -19.413 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.772 -0.737 -18.535 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.238 1.337 -19.892 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.067 0.409 -20.808 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.713 -0.904 -20.800 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.953 1.854 -22.018 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.712 1.796 -23.612 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.570 -1.080 -22.899 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.180 0.150 -24.106 1.00 0.00 H new