USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 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+ 157:sc= -0.0245 (180deg=-0.807) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-4.4!) USER MOD Single : A 59 CYS SG : rot -10:sc= -5.62! USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= -0.0698 (180deg=-0.468) USER MOD Single : A 86 THR OG1 : rot -170:sc= -2.04! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.359 -9.947 -15.484 1.00 0.00 N ATOM 538 CA GLY A 33 4.622 -9.457 -16.867 1.00 0.00 C ATOM 539 C GLY A 33 3.660 -10.131 -17.849 1.00 0.00 C ATOM 540 O GLY A 33 3.927 -10.220 -19.031 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.499 -8.375 -16.908 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.653 -9.672 -17.149 1.00 0.00 H new ATOM 544 N SER A 34 2.543 -10.606 -17.370 1.00 0.00 N ATOM 545 CA SER A 34 1.567 -11.271 -18.282 1.00 0.00 C ATOM 546 C SER A 34 0.333 -10.383 -18.442 1.00 0.00 C ATOM 547 O SER A 34 0.133 -9.442 -17.701 1.00 0.00 O ATOM 548 CB SER A 34 1.152 -12.619 -17.689 1.00 0.00 C ATOM 549 OG SER A 34 0.546 -13.410 -18.703 1.00 0.00 O ATOM 0 H SER A 34 2.264 -10.563 -16.390 1.00 0.00 H new ATOM 0 HA SER A 34 2.029 -11.430 -19.256 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.022 -13.134 -17.281 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.456 -12.468 -16.864 1.00 0.00 H new ATOM 0 HG SER A 34 0.280 -14.275 -18.328 1.00 0.00 H new ATOM 555 N VAL A 35 -0.498 -10.673 -19.407 1.00 0.00 N ATOM 556 CA VAL A 35 -1.718 -9.845 -19.614 1.00 0.00 C ATOM 557 C VAL A 35 -2.943 -10.603 -19.101 1.00 0.00 C ATOM 558 O VAL A 35 -2.933 -11.812 -18.989 1.00 0.00 O ATOM 559 CB VAL A 35 -1.890 -9.553 -21.104 1.00 0.00 C ATOM 560 CG1 VAL A 35 -2.730 -8.287 -21.281 1.00 0.00 C ATOM 561 CG2 VAL A 35 -0.515 -9.347 -21.743 1.00 0.00 C ATOM 0 H VAL A 35 -0.383 -11.448 -20.060 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.615 -8.907 -19.068 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.393 -10.392 -21.585 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.853 -8.078 -22.344 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.709 -8.433 -20.824 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.227 -7.447 -20.802 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.635 -9.139 -22.806 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.013 -8.507 -21.263 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.084 -10.249 -21.616 1.00 0.00 H new ATOM 571 N HIS A 36 -3.999 -9.903 -18.789 1.00 0.00 N ATOM 572 CA HIS A 36 -5.220 -10.590 -18.283 1.00 0.00 C ATOM 573 C HIS A 36 -6.434 -9.672 -18.441 1.00 0.00 C ATOM 574 O HIS A 36 -6.306 -8.469 -18.570 1.00 0.00 O ATOM 575 CB HIS A 36 -5.033 -10.933 -16.803 1.00 0.00 C ATOM 576 CG HIS A 36 -5.170 -12.418 -16.611 1.00 0.00 C ATOM 577 ND1 HIS A 36 -4.071 -13.244 -16.430 1.00 0.00 N ATOM 578 CD2 HIS A 36 -6.268 -13.241 -16.567 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.529 -14.502 -16.287 1.00 0.00 C ATOM 580 NE2 HIS A 36 -5.861 -14.556 -16.362 1.00 0.00 N ATOM 0 H HIS A 36 -4.069 -8.888 -18.862 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.382 -11.504 -18.855 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.052 -10.601 -16.463 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.774 -10.408 -16.201 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.293 -12.917 -16.675 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.896 -15.363 -16.131 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.453 -15.383 -16.286 1.00 0.00 H new ATOM 588 N GLU A 37 -7.613 -10.232 -18.428 1.00 0.00 N ATOM 589 CA GLU A 37 -8.840 -9.400 -18.572 1.00 0.00 C ATOM 590 C GLU A 37 -9.530 -9.287 -17.212 1.00 0.00 C ATOM 591 O GLU A 37 -9.839 -10.277 -16.579 1.00 0.00 O ATOM 592 CB GLU A 37 -9.788 -10.064 -19.573 1.00 0.00 C ATOM 593 CG GLU A 37 -9.000 -10.504 -20.808 1.00 0.00 C ATOM 594 CD GLU A 37 -9.711 -10.014 -22.070 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.705 -8.817 -22.301 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.248 -10.844 -22.785 1.00 0.00 O ATOM 0 H GLU A 37 -7.779 -11.233 -18.323 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.573 -8.406 -18.931 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.275 -10.924 -19.113 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.576 -9.368 -19.860 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.988 -10.101 -20.769 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.910 -11.590 -20.827 1.00 0.00 H new ATOM 603 N GLY A 38 -9.769 -8.089 -16.752 1.00 0.00 N ATOM 604 CA GLY A 38 -10.432 -7.922 -15.427 1.00 0.00 C ATOM 605 C GLY A 38 -11.459 -6.793 -15.504 1.00 0.00 C ATOM 606 O GLY A 38 -11.594 -6.133 -16.513 1.00 0.00 O ATOM 0 H GLY A 38 -9.535 -7.221 -17.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.920 -8.851 -15.134 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.688 -7.698 -14.663 1.00 0.00 H new ATOM 610 N ILE A 39 -12.185 -6.562 -14.444 1.00 0.00 N ATOM 611 CA ILE A 39 -13.199 -5.471 -14.463 1.00 0.00 C ATOM 612 C ILE A 39 -12.587 -4.221 -13.831 1.00 0.00 C ATOM 613 O ILE A 39 -11.537 -4.277 -13.224 1.00 0.00 O ATOM 614 CB ILE A 39 -14.432 -5.903 -13.668 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.914 -7.265 -14.176 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.545 -4.870 -13.852 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.624 -8.010 -13.045 1.00 0.00 C ATOM 0 H ILE A 39 -12.120 -7.080 -13.568 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.497 -5.257 -15.489 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.175 -5.977 -12.611 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.592 -7.131 -15.019 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.068 -7.850 -14.537 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.424 -5.177 -13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.203 -3.899 -13.493 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.802 -4.796 -14.909 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.967 -8.979 -13.407 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.932 -8.156 -12.215 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.479 -7.426 -12.705 1.00 0.00 H new ATOM 629 N VAL A 40 -13.217 -3.088 -13.983 1.00 0.00 N ATOM 630 CA VAL A 40 -12.640 -1.842 -13.403 1.00 0.00 C ATOM 631 C VAL A 40 -13.463 -1.372 -12.202 1.00 0.00 C ATOM 632 O VAL A 40 -14.620 -1.712 -12.049 1.00 0.00 O ATOM 633 CB VAL A 40 -12.629 -0.749 -14.472 1.00 0.00 C ATOM 634 CG1 VAL A 40 -12.012 0.524 -13.892 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.801 -1.219 -15.669 1.00 0.00 C ATOM 0 H VAL A 40 -14.100 -2.971 -14.480 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.624 -2.048 -13.067 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.650 -0.543 -14.794 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.004 1.304 -14.653 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.601 0.857 -13.038 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.991 0.320 -13.571 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.792 -0.441 -16.433 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.780 -1.424 -15.347 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.241 -2.127 -16.081 1.00 0.00 H new ATOM 645 N TYR A 41 -12.863 -0.580 -11.353 1.00 0.00 N ATOM 646 CA TYR A 41 -13.581 -0.063 -10.154 1.00 0.00 C ATOM 647 C TYR A 41 -12.945 1.269 -9.737 1.00 0.00 C ATOM 648 O TYR A 41 -11.778 1.508 -9.977 1.00 0.00 O ATOM 649 CB TYR A 41 -13.457 -1.071 -9.008 1.00 0.00 C ATOM 650 CG TYR A 41 -14.834 -1.457 -8.523 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.601 -0.540 -7.792 1.00 0.00 C ATOM 652 CD2 TYR A 41 -15.346 -2.732 -8.802 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.878 -0.896 -7.342 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.624 -3.088 -8.351 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.390 -2.171 -7.620 1.00 0.00 C ATOM 656 OH TYR A 41 -18.649 -2.521 -7.176 1.00 0.00 O ATOM 0 H TYR A 41 -11.896 -0.267 -11.441 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.636 0.085 -10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.918 -1.956 -9.345 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.880 -0.639 -8.190 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.207 0.442 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.755 -3.440 -9.365 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.469 -0.188 -6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -17.019 -4.070 -8.567 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.851 -3.439 -7.455 1.00 0.00 H new ATOM 666 N PHE A 42 -13.698 2.141 -9.120 1.00 0.00 N ATOM 667 CA PHE A 42 -13.120 3.451 -8.700 1.00 0.00 C ATOM 668 C PHE A 42 -12.854 3.440 -7.194 1.00 0.00 C ATOM 669 O PHE A 42 -13.733 3.174 -6.399 1.00 0.00 O ATOM 670 CB PHE A 42 -14.098 4.582 -9.036 1.00 0.00 C ATOM 671 CG PHE A 42 -15.514 4.137 -8.762 1.00 0.00 C ATOM 672 CD1 PHE A 42 -16.230 3.435 -9.742 1.00 0.00 C ATOM 673 CD2 PHE A 42 -16.117 4.429 -7.530 1.00 0.00 C ATOM 674 CE1 PHE A 42 -17.545 3.025 -9.491 1.00 0.00 C ATOM 675 CE2 PHE A 42 -17.433 4.017 -7.278 1.00 0.00 C ATOM 676 CZ PHE A 42 -18.148 3.317 -8.259 1.00 0.00 C ATOM 0 H PHE A 42 -14.682 2.004 -8.890 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.183 3.613 -9.233 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.864 5.465 -8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.993 4.866 -10.083 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.767 3.210 -10.691 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.567 4.971 -6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.095 2.484 -10.246 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.896 4.239 -6.328 1.00 0.00 H new ATOM 0 HZ PHE A 42 -19.163 3.002 -8.066 1.00 0.00 H new ATOM 727 N ILE A 46 -7.290 6.027 -7.099 1.00 0.00 N ATOM 728 CA ILE A 46 -6.753 5.572 -8.411 1.00 0.00 C ATOM 729 C ILE A 46 -7.762 4.613 -9.046 1.00 0.00 C ATOM 730 O ILE A 46 -8.956 4.820 -8.964 1.00 0.00 O ATOM 731 CB ILE A 46 -5.415 4.860 -8.193 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.630 3.639 -7.295 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.431 5.818 -7.521 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.705 2.505 -7.739 1.00 0.00 C ATOM 0 HA ILE A 46 -6.594 6.425 -9.071 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.012 4.540 -9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.429 3.900 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.670 3.315 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.478 5.311 -7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.279 6.689 -8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.833 6.137 -6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.860 1.637 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.927 2.238 -8.772 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.668 2.831 -7.664 1.00 0.00 H new ATOM 746 N PHE A 47 -7.306 3.563 -9.674 1.00 0.00 N ATOM 747 CA PHE A 47 -8.263 2.610 -10.296 1.00 0.00 C ATOM 748 C PHE A 47 -8.144 1.250 -9.610 1.00 0.00 C ATOM 749 O PHE A 47 -7.214 0.997 -8.871 1.00 0.00 O ATOM 750 CB PHE A 47 -7.950 2.465 -11.785 1.00 0.00 C ATOM 751 CG PHE A 47 -8.929 3.290 -12.583 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.338 4.544 -12.108 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.430 2.804 -13.798 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.248 5.311 -12.846 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.341 3.572 -14.537 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.750 4.825 -14.061 1.00 0.00 C ATOM 0 H PHE A 47 -6.320 3.327 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.279 2.987 -10.179 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.930 2.793 -11.988 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.013 1.418 -12.081 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.951 4.919 -11.172 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.115 1.838 -14.165 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.563 6.277 -12.479 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.728 3.198 -15.473 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.452 5.416 -14.630 1.00 0.00 H new ATOM 766 N LYS A 48 -9.079 0.374 -9.846 1.00 0.00 N ATOM 767 CA LYS A 48 -9.018 -0.969 -9.206 1.00 0.00 C ATOM 768 C LYS A 48 -9.485 -2.025 -10.208 1.00 0.00 C ATOM 769 O LYS A 48 -10.385 -1.797 -10.990 1.00 0.00 O ATOM 770 CB LYS A 48 -9.926 -0.987 -7.974 1.00 0.00 C ATOM 771 CG LYS A 48 -9.144 -1.519 -6.771 1.00 0.00 C ATOM 772 CD LYS A 48 -10.084 -1.661 -5.570 1.00 0.00 C ATOM 773 CE LYS A 48 -9.262 -1.824 -4.291 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.051 -2.592 -3.287 1.00 0.00 N ATOM 0 H LYS A 48 -9.883 0.530 -10.454 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.994 -1.186 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.295 0.017 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.798 -1.614 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.697 -2.484 -7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.326 -0.841 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.726 -0.784 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.737 -2.523 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.329 -2.343 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.997 -0.846 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.405 -3.035 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.696 -1.948 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.603 -3.329 -3.770 1.00 0.00 H new ATOM 788 N VAL A 49 -8.877 -3.179 -10.195 1.00 0.00 N ATOM 789 CA VAL A 49 -9.287 -4.243 -11.152 1.00 0.00 C ATOM 790 C VAL A 49 -9.840 -5.441 -10.376 1.00 0.00 C ATOM 791 O VAL A 49 -9.291 -5.848 -9.372 1.00 0.00 O ATOM 792 CB VAL A 49 -8.073 -4.681 -11.976 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.460 -5.856 -12.876 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.594 -3.514 -12.842 1.00 0.00 C ATOM 0 H VAL A 49 -8.116 -3.430 -9.564 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.058 -3.857 -11.819 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.272 -4.988 -11.303 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.595 -6.166 -13.462 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.799 -6.689 -12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.262 -5.551 -13.548 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.730 -3.827 -13.428 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.396 -3.206 -13.513 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.315 -2.677 -12.202 1.00 0.00 H new ATOM 804 N ARG A 50 -10.922 -6.010 -10.833 1.00 0.00 N ATOM 805 CA ARG A 50 -11.507 -7.181 -10.120 1.00 0.00 C ATOM 806 C ARG A 50 -11.272 -8.445 -10.950 1.00 0.00 C ATOM 807 O ARG A 50 -11.663 -8.522 -12.097 1.00 0.00 O ATOM 808 CB ARG A 50 -13.011 -6.968 -9.934 1.00 0.00 C ATOM 809 CG ARG A 50 -13.266 -6.233 -8.616 1.00 0.00 C ATOM 810 CD ARG A 50 -14.742 -6.359 -8.237 1.00 0.00 C ATOM 811 NE ARG A 50 -14.887 -6.227 -6.759 1.00 0.00 N ATOM 812 CZ ARG A 50 -15.138 -7.280 -6.030 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.939 -8.209 -6.478 1.00 0.00 N ATOM 814 NH2 ARG A 50 -14.589 -7.406 -4.853 1.00 0.00 N ATOM 0 H ARG A 50 -11.426 -5.715 -11.669 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.033 -7.288 -9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.413 -6.391 -10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.527 -7.928 -9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.640 -6.651 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.994 -5.182 -8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.325 -5.588 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.133 -7.321 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.790 -5.313 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.369 -8.112 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.135 -9.032 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.963 -6.681 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.786 -8.229 -4.284 1.00 0.00 H new ATOM 828 N LEU A 51 -10.638 -9.437 -10.384 1.00 0.00 N ATOM 829 CA LEU A 51 -10.390 -10.686 -11.159 1.00 0.00 C ATOM 830 C LEU A 51 -11.503 -11.696 -10.870 1.00 0.00 C ATOM 831 O LEU A 51 -11.282 -12.718 -10.252 1.00 0.00 O ATOM 832 CB LEU A 51 -9.038 -11.280 -10.758 1.00 0.00 C ATOM 833 CG LEU A 51 -8.078 -11.206 -11.947 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.069 -10.079 -11.716 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.336 -12.537 -12.086 1.00 0.00 C ATOM 0 H LEU A 51 -10.284 -9.437 -9.427 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.379 -10.455 -12.224 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.626 -10.734 -9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.163 -12.315 -10.441 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.641 -11.008 -12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.384 -10.025 -12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.598 -9.131 -11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.505 -10.277 -10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.652 -12.485 -12.933 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.772 -12.736 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.056 -13.339 -12.249 1.00 0.00 H new ATOM 847 N LEU A 52 -12.697 -11.415 -11.316 1.00 0.00 N ATOM 848 CA LEU A 52 -13.826 -12.358 -11.071 1.00 0.00 C ATOM 849 C LEU A 52 -13.414 -13.768 -11.500 1.00 0.00 C ATOM 850 O LEU A 52 -12.728 -13.952 -12.486 1.00 0.00 O ATOM 851 CB LEU A 52 -15.045 -11.911 -11.883 1.00 0.00 C ATOM 852 CG LEU A 52 -16.229 -12.831 -11.577 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.483 -11.987 -11.338 1.00 0.00 C ATOM 854 CD2 LEU A 52 -16.466 -13.768 -12.763 1.00 0.00 C ATOM 0 H LEU A 52 -12.940 -10.574 -11.839 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.077 -12.361 -10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.300 -10.880 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.815 -11.939 -12.948 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.011 -13.419 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.326 -12.642 -11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.316 -11.318 -10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.701 -11.399 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.309 -14.424 -12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -16.684 -13.179 -13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.574 -14.370 -12.935 1.00 0.00 H new ATOM 866 N GLY A 53 -13.827 -14.766 -10.766 1.00 0.00 N ATOM 867 CA GLY A 53 -13.460 -16.164 -11.133 1.00 0.00 C ATOM 868 C GLY A 53 -12.439 -16.700 -10.129 1.00 0.00 C ATOM 869 O GLY A 53 -12.622 -17.749 -9.542 1.00 0.00 O ATOM 0 H GLY A 53 -14.402 -14.674 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.348 -16.796 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.045 -16.190 -12.140 1.00 0.00 H new ATOM 873 N TYR A 54 -11.364 -15.988 -9.925 1.00 0.00 N ATOM 874 CA TYR A 54 -10.332 -16.457 -8.957 1.00 0.00 C ATOM 875 C TYR A 54 -10.896 -16.389 -7.537 1.00 0.00 C ATOM 876 O TYR A 54 -10.423 -17.054 -6.637 1.00 0.00 O ATOM 877 CB TYR A 54 -9.097 -15.560 -9.053 1.00 0.00 C ATOM 878 CG TYR A 54 -7.993 -16.296 -9.773 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.103 -16.554 -11.146 1.00 0.00 C ATOM 880 CD2 TYR A 54 -6.859 -16.721 -9.069 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.080 -17.237 -11.814 1.00 0.00 C ATOM 882 CE2 TYR A 54 -5.834 -17.404 -9.737 1.00 0.00 C ATOM 883 CZ TYR A 54 -5.944 -17.662 -11.110 1.00 0.00 C ATOM 884 OH TYR A 54 -4.936 -18.334 -11.769 1.00 0.00 O ATOM 0 H TYR A 54 -11.156 -15.102 -10.386 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.056 -17.485 -9.192 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.343 -14.641 -9.585 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.766 -15.272 -8.055 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.977 -16.226 -11.689 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.775 -16.522 -8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.166 -17.437 -12.872 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.960 -17.731 -9.194 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.222 -18.556 -11.135 1.00 0.00 H new ATOM 894 N GLU A 55 -11.905 -15.587 -7.329 1.00 0.00 N ATOM 895 CA GLU A 55 -12.497 -15.474 -5.967 1.00 0.00 C ATOM 896 C GLU A 55 -11.438 -14.952 -4.994 1.00 0.00 C ATOM 897 O GLU A 55 -10.413 -15.570 -4.789 1.00 0.00 O ATOM 898 CB GLU A 55 -12.980 -16.851 -5.504 1.00 0.00 C ATOM 899 CG GLU A 55 -14.464 -17.012 -5.840 1.00 0.00 C ATOM 900 CD GLU A 55 -15.122 -17.944 -4.822 1.00 0.00 C ATOM 901 OE1 GLU A 55 -14.763 -19.110 -4.797 1.00 0.00 O ATOM 902 OE2 GLU A 55 -15.973 -17.477 -4.083 1.00 0.00 O ATOM 0 H GLU A 55 -12.344 -15.006 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.340 -14.784 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.399 -17.634 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.826 -16.960 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.957 -16.040 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.578 -17.417 -6.846 1.00 0.00 H new ATOM 909 N GLY A 56 -11.677 -13.820 -4.390 1.00 0.00 N ATOM 910 CA GLY A 56 -10.683 -13.264 -3.430 1.00 0.00 C ATOM 911 C GLY A 56 -9.484 -12.698 -4.197 1.00 0.00 C ATOM 912 O GLY A 56 -8.375 -12.679 -3.703 1.00 0.00 O ATOM 0 H GLY A 56 -12.517 -13.257 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.144 -12.481 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.352 -14.043 -2.742 1.00 0.00 H new ATOM 916 N HIS A 57 -9.696 -12.234 -5.397 1.00 0.00 N ATOM 917 CA HIS A 57 -8.564 -11.668 -6.184 1.00 0.00 C ATOM 918 C HIS A 57 -8.817 -10.180 -6.437 1.00 0.00 C ATOM 919 O HIS A 57 -9.420 -9.798 -7.424 1.00 0.00 O ATOM 920 CB HIS A 57 -8.446 -12.404 -7.520 1.00 0.00 C ATOM 921 CG HIS A 57 -7.083 -13.027 -7.624 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.389 -13.098 -8.822 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.269 -13.614 -6.685 1.00 0.00 C ATOM 924 CE1 HIS A 57 -5.215 -13.708 -8.576 1.00 0.00 C ATOM 925 NE2 HIS A 57 -5.091 -14.043 -7.289 1.00 0.00 N ATOM 0 H HIS A 57 -10.602 -12.222 -5.866 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.636 -11.790 -5.625 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.216 -13.172 -7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.606 -11.711 -8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.507 -13.725 -5.638 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.464 -13.903 -9.328 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.302 -14.512 -6.844 1.00 0.00 H new ATOM 933 N GLU A 58 -8.361 -9.337 -5.548 1.00 0.00 N ATOM 934 CA GLU A 58 -8.576 -7.876 -5.729 1.00 0.00 C ATOM 935 C GLU A 58 -7.279 -7.217 -6.199 1.00 0.00 C ATOM 936 O GLU A 58 -6.306 -7.142 -5.474 1.00 0.00 O ATOM 937 CB GLU A 58 -9.008 -7.255 -4.399 1.00 0.00 C ATOM 938 CG GLU A 58 -9.838 -5.998 -4.668 1.00 0.00 C ATOM 939 CD GLU A 58 -11.325 -6.357 -4.655 1.00 0.00 C ATOM 940 OE1 GLU A 58 -11.735 -7.130 -5.506 1.00 0.00 O ATOM 941 OE2 GLU A 58 -12.028 -5.852 -3.796 1.00 0.00 O ATOM 0 H GLU A 58 -7.849 -9.600 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.353 -7.717 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.592 -7.973 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.132 -7.004 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.629 -5.242 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.565 -5.568 -5.632 1.00 0.00 H new ATOM 948 N CYS A 59 -7.260 -6.735 -7.410 1.00 0.00 N ATOM 949 CA CYS A 59 -6.034 -6.073 -7.931 1.00 0.00 C ATOM 950 C CYS A 59 -6.231 -4.557 -7.893 1.00 0.00 C ATOM 951 O CYS A 59 -7.336 -4.070 -7.748 1.00 0.00 O ATOM 952 CB CYS A 59 -5.785 -6.523 -9.372 1.00 0.00 C ATOM 953 SG CYS A 59 -5.886 -8.328 -9.468 1.00 0.00 S ATOM 0 H CYS A 59 -8.043 -6.772 -8.062 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.177 -6.347 -7.316 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.521 -6.071 -10.037 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.804 -6.185 -9.705 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.932 -8.825 -8.267 1.00 0.00 H new ATOM 959 N ILE A 60 -5.175 -3.805 -8.019 1.00 0.00 N ATOM 960 CA ILE A 60 -5.309 -2.322 -7.988 1.00 0.00 C ATOM 961 C ILE A 60 -4.551 -1.720 -9.170 1.00 0.00 C ATOM 962 O ILE A 60 -3.415 -2.058 -9.424 1.00 0.00 O ATOM 963 CB ILE A 60 -4.723 -1.786 -6.681 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.353 -2.426 -6.439 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.658 -2.134 -5.521 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.393 -1.382 -5.865 1.00 0.00 C ATOM 0 H ILE A 60 -4.224 -4.153 -8.142 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.362 -2.049 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.615 -0.703 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.449 -3.265 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.957 -2.825 -7.373 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.240 -1.752 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.635 -1.682 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.766 -3.216 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.419 -1.839 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.288 -0.558 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.788 -1.004 -4.922 1.00 0.00 H new ATOM 978 N LEU A 61 -5.168 -0.830 -9.895 1.00 0.00 N ATOM 979 CA LEU A 61 -4.474 -0.214 -11.059 1.00 0.00 C ATOM 980 C LEU A 61 -3.902 1.142 -10.648 1.00 0.00 C ATOM 981 O LEU A 61 -4.624 2.045 -10.268 1.00 0.00 O ATOM 982 CB LEU A 61 -5.469 -0.023 -12.204 1.00 0.00 C ATOM 983 CG LEU A 61 -4.729 0.482 -13.443 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.481 -0.684 -14.401 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.577 1.546 -14.141 1.00 0.00 C ATOM 0 H LEU A 61 -6.120 -0.503 -9.732 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.665 -0.866 -11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.970 -0.965 -12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.242 0.689 -11.914 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.774 0.915 -13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.953 -0.323 -15.284 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.878 -1.443 -13.902 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.435 -1.118 -14.700 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.052 1.908 -15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.532 1.113 -14.438 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.753 2.377 -13.458 1.00 0.00 H new ATOM 997 N LEU A 62 -2.606 1.289 -10.715 1.00 0.00 N ATOM 998 CA LEU A 62 -1.984 2.585 -10.319 1.00 0.00 C ATOM 999 C LEU A 62 -0.862 2.938 -11.298 1.00 0.00 C ATOM 1000 O LEU A 62 -0.695 4.079 -11.679 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.407 2.457 -8.907 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.072 3.847 -8.361 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.397 3.900 -6.867 1.00 0.00 C ATOM 1004 CD2 LEU A 62 0.419 4.128 -8.566 1.00 0.00 C ATOM 0 H LEU A 62 -1.953 0.570 -11.026 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.739 3.371 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.125 1.962 -8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.511 1.836 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.661 4.597 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.159 4.890 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.458 3.697 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.807 3.151 -6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.659 5.118 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.007 3.378 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.654 4.089 -9.630 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.831 3.665 -16.867 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.280 2.951 -15.681 1.00 0.00 C ATOM 1326 C VAL A 80 -16.157 1.744 -15.356 1.00 0.00 C ATOM 1327 O VAL A 80 -17.300 1.664 -15.765 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.255 3.892 -14.478 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.466 3.243 -13.340 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.585 5.208 -14.876 1.00 0.00 C ATOM 0 HA VAL A 80 -14.266 2.618 -15.904 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.275 4.088 -14.148 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.448 3.914 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.942 2.304 -13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.446 3.048 -13.670 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.566 5.881 -14.019 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.565 5.012 -15.205 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.146 5.671 -15.688 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.631 0.807 -14.620 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.427 -0.400 -14.262 1.00 0.00 C ATOM 1342 C GLY A 81 -16.342 -1.428 -15.394 1.00 0.00 C ATOM 1343 O GLY A 81 -16.124 -2.601 -15.165 1.00 0.00 O ATOM 0 H GLY A 81 -14.681 0.824 -14.249 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.052 -0.833 -13.335 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.467 -0.123 -14.086 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.519 -0.998 -16.614 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.457 -1.946 -17.761 1.00 0.00 C ATOM 1349 C ARG A 82 -15.239 -2.860 -17.615 1.00 0.00 C ATOM 1350 O ARG A 82 -14.405 -2.672 -16.752 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.343 -1.157 -19.067 1.00 0.00 C ATOM 1352 CG ARG A 82 -17.408 -1.642 -20.050 1.00 0.00 C ATOM 1353 CD ARG A 82 -18.317 -0.474 -20.435 1.00 0.00 C ATOM 1354 NE ARG A 82 -19.720 -0.959 -20.570 1.00 0.00 N ATOM 1355 CZ ARG A 82 -20.662 -0.454 -19.821 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -20.934 -0.992 -18.664 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -21.333 0.589 -20.230 1.00 0.00 N ATOM 0 H ARG A 82 -16.705 -0.027 -16.866 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.363 -2.552 -17.774 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.470 -0.092 -18.873 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.350 -1.287 -19.497 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.935 -2.057 -20.940 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.996 -2.442 -19.600 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.263 0.308 -19.678 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.982 -0.032 -21.373 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.944 -1.687 -21.249 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.410 -1.807 -18.345 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.670 -0.597 -18.079 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.121 1.009 -21.135 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.069 0.984 -19.645 1.00 0.00 H new ATOM 1371 N VAL A 83 -15.134 -3.852 -18.458 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.975 -4.784 -18.378 1.00 0.00 C ATOM 1373 C VAL A 83 -12.926 -4.375 -19.415 1.00 0.00 C ATOM 1374 O VAL A 83 -13.246 -3.819 -20.447 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.448 -6.212 -18.665 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -13.524 -7.207 -17.960 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.877 -6.392 -18.142 1.00 0.00 C ATOM 0 H VAL A 83 -15.803 -4.057 -19.200 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.539 -4.741 -17.380 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.427 -6.391 -19.740 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.860 -8.223 -18.164 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.506 -7.081 -18.328 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.547 -7.026 -16.885 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.214 -7.408 -18.346 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.896 -6.212 -17.067 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.539 -5.683 -18.640 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.676 -4.639 -19.149 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.612 -4.259 -20.120 1.00 0.00 C ATOM 1389 C ILE A 84 -9.412 -5.197 -19.969 1.00 0.00 C ATOM 1390 O ILE A 84 -9.352 -6.004 -19.062 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.168 -2.818 -19.854 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.284 -2.768 -18.600 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.397 -1.932 -19.649 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.984 -3.479 -17.439 1.00 0.00 C ATOM 0 H ILE A 84 -11.346 -5.101 -18.302 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.006 -4.339 -21.133 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.598 -2.456 -20.710 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.324 -3.243 -18.802 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.077 -1.732 -18.332 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.079 -0.907 -19.460 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -12.019 -1.960 -20.544 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.971 -2.297 -18.797 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.350 -3.439 -16.553 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.933 -2.985 -17.229 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.168 -4.519 -17.707 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.454 -5.090 -20.847 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.255 -5.969 -20.753 1.00 0.00 C ATOM 1408 C LYS A 85 -6.079 -5.163 -20.196 1.00 0.00 C ATOM 1409 O LYS A 85 -5.604 -4.229 -20.811 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.899 -6.501 -22.143 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.921 -5.354 -23.155 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.358 -5.841 -24.490 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.768 -4.875 -25.602 1.00 0.00 C ATOM 1414 NZ LYS A 85 -8.225 -5.027 -25.880 1.00 0.00 N ATOM 0 H LYS A 85 -8.449 -4.432 -21.626 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.469 -6.808 -20.090 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.912 -6.963 -22.124 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.608 -7.274 -22.440 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.941 -4.992 -23.288 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.331 -4.516 -22.784 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.271 -5.908 -24.435 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.729 -6.842 -24.709 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.548 -3.849 -25.306 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.192 -5.077 -26.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.426 -4.725 -26.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.499 -6.023 -25.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.768 -4.438 -25.217 1.00 0.00 H new ATOM 1428 N THR A 86 -5.606 -5.521 -19.034 1.00 0.00 N ATOM 1429 CA THR A 86 -4.461 -4.781 -18.431 1.00 0.00 C ATOM 1430 C THR A 86 -3.342 -5.769 -18.100 1.00 0.00 C ATOM 1431 O THR A 86 -3.488 -6.964 -18.259 1.00 0.00 O ATOM 1432 CB THR A 86 -4.920 -4.083 -17.148 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.600 -5.018 -16.319 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.859 -2.927 -17.503 1.00 0.00 C ATOM 0 H THR A 86 -5.964 -6.296 -18.475 1.00 0.00 H new ATOM 0 HA THR A 86 -4.096 -4.035 -19.137 1.00 0.00 H new ATOM 0 HB THR A 86 -4.054 -3.691 -16.615 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.030 -4.545 -15.576 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.186 -2.430 -16.590 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.333 -2.213 -18.137 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.727 -3.314 -18.036 1.00 0.00 H new ATOM 1442 N ARG A 87 -2.222 -5.280 -17.647 1.00 0.00 N ATOM 1443 CA ARG A 87 -1.094 -6.192 -17.315 1.00 0.00 C ATOM 1444 C ARG A 87 -1.023 -6.398 -15.802 1.00 0.00 C ATOM 1445 O ARG A 87 -1.505 -5.591 -15.028 1.00 0.00 O ATOM 1446 CB ARG A 87 0.216 -5.578 -17.810 1.00 0.00 C ATOM 1447 CG ARG A 87 0.346 -5.797 -19.319 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.732 -4.992 -20.048 1.00 0.00 C ATOM 1449 NE ARG A 87 -0.101 -4.187 -21.131 1.00 0.00 N ATOM 1450 CZ ARG A 87 0.050 -4.700 -22.322 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -0.939 -4.675 -23.173 1.00 0.00 N ATOM 1452 NH2 ARG A 87 1.189 -5.238 -22.661 1.00 0.00 N ATOM 0 H ARG A 87 -2.039 -4.288 -17.492 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.253 -7.155 -17.800 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.238 -4.512 -17.584 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.061 -6.032 -17.292 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.335 -5.490 -19.658 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.244 -6.857 -19.553 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.481 -5.663 -20.468 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.249 -4.337 -19.347 1.00 0.00 H new ATOM 0 HE ARG A 87 0.213 -3.235 -20.942 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.830 -4.255 -22.908 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.821 -5.076 -24.104 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.962 -5.258 -21.996 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.307 -5.639 -23.592 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.413 -7.470 -15.374 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.299 -7.736 -13.913 1.00 0.00 C ATOM 1468 C VAL A 88 1.065 -7.246 -13.437 1.00 0.00 C ATOM 1469 O VAL A 88 2.093 -7.680 -13.915 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.431 -9.240 -13.644 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -1.125 -9.458 -12.299 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.263 -9.893 -14.752 1.00 0.00 C ATOM 0 H VAL A 88 0.012 -8.175 -15.976 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.092 -7.214 -13.378 1.00 0.00 H new ATOM 0 HB VAL A 88 0.562 -9.689 -13.623 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.219 -10.527 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.535 -8.998 -11.506 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.116 -9.005 -12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.354 -10.962 -14.557 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.255 -9.442 -14.775 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.772 -9.740 -15.713 1.00 0.00 H new ATOM 1482 N VAL A 89 1.080 -6.323 -12.516 1.00 0.00 N ATOM 1483 CA VAL A 89 2.380 -5.785 -12.033 1.00 0.00 C ATOM 1484 C VAL A 89 3.007 -6.738 -11.013 1.00 0.00 C ATOM 1485 O VAL A 89 4.208 -6.916 -10.980 1.00 0.00 O ATOM 1486 CB VAL A 89 2.158 -4.418 -11.388 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.486 -3.887 -10.846 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.612 -3.444 -12.435 1.00 0.00 C ATOM 0 H VAL A 89 0.251 -5.920 -12.079 1.00 0.00 H new ATOM 0 HA VAL A 89 3.057 -5.685 -12.882 1.00 0.00 H new ATOM 0 HB VAL A 89 1.444 -4.514 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.327 -2.912 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.878 -4.580 -10.102 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.200 -3.790 -11.664 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.453 -2.468 -11.976 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.328 -3.349 -13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.666 -3.821 -12.824 1.00 0.00 H new ATOM 1498 N ARG A 90 2.214 -7.351 -10.175 1.00 0.00 N ATOM 1499 CA ARG A 90 2.789 -8.282 -9.164 1.00 0.00 C ATOM 1500 C ARG A 90 1.708 -8.691 -8.161 1.00 0.00 C ATOM 1501 O ARG A 90 1.334 -7.930 -7.291 1.00 0.00 O ATOM 1502 CB ARG A 90 3.933 -7.586 -8.423 1.00 0.00 C ATOM 1503 CG ARG A 90 5.236 -8.352 -8.655 1.00 0.00 C ATOM 1504 CD ARG A 90 5.463 -9.336 -7.506 1.00 0.00 C ATOM 1505 NE ARG A 90 6.904 -9.335 -7.128 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.526 -10.465 -6.921 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.202 -11.209 -5.900 1.00 0.00 N ATOM 1508 NH2 ARG A 90 8.472 -10.848 -7.735 1.00 0.00 N ATOM 0 H ARG A 90 1.200 -7.248 -10.147 1.00 0.00 H new ATOM 0 HA ARG A 90 3.167 -9.171 -9.669 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.036 -6.559 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.713 -7.538 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.191 -8.888 -9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.072 -7.656 -8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.851 -9.057 -6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.155 -10.338 -7.805 1.00 0.00 H new ATOM 0 HE ARG A 90 7.405 -8.452 -7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.463 -10.908 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.687 -12.091 -5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.726 -10.265 -8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.958 -11.730 -7.573 1.00 0.00 H new ATOM 1522 N ALA A 91 1.210 -9.892 -8.272 1.00 0.00 N ATOM 1523 CA ALA A 91 0.160 -10.357 -7.322 1.00 0.00 C ATOM 1524 C ALA A 91 0.831 -10.966 -6.088 1.00 0.00 C ATOM 1525 O ALA A 91 1.945 -11.445 -6.150 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.711 -11.416 -8.004 1.00 0.00 C ATOM 0 H ALA A 91 1.485 -10.572 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.463 -9.514 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.479 -11.757 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.184 -10.985 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.090 -12.261 -8.302 1.00 0.00 H new ATOM 1532 N ASP A 92 0.164 -10.951 -4.966 1.00 0.00 N ATOM 1533 CA ASP A 92 0.773 -11.529 -3.734 1.00 0.00 C ATOM 1534 C ASP A 92 -0.297 -11.682 -2.651 1.00 0.00 C ATOM 1535 O ASP A 92 -0.143 -11.210 -1.542 1.00 0.00 O ATOM 1536 CB ASP A 92 1.881 -10.601 -3.229 1.00 0.00 C ATOM 1537 CG ASP A 92 3.218 -11.020 -3.843 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.387 -12.201 -4.096 1.00 0.00 O ATOM 1539 OD2 ASP A 92 4.051 -10.152 -4.049 1.00 0.00 O ATOM 0 H ASP A 92 -0.773 -10.565 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 92 1.193 -12.508 -3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.654 -9.569 -3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.939 -10.645 -2.141 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.378 -12.345 -2.959 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.451 -12.531 -1.942 1.00 0.00 C ATOM 1546 C GLY A 93 -3.737 -11.849 -2.410 1.00 0.00 C ATOM 1547 O GLY A 93 -3.932 -11.608 -3.586 1.00 0.00 O ATOM 0 H GLY A 93 -1.564 -12.765 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.631 -13.594 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.135 -12.113 -0.986 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.617 -11.539 -1.498 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.894 -10.876 -1.882 1.00 0.00 C ATOM 1553 C LEU A 94 -5.594 -9.541 -2.563 1.00 0.00 C ATOM 1554 O LEU A 94 -6.428 -8.981 -3.247 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.734 -10.630 -0.625 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.910 -9.713 -0.960 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -9.029 -9.926 0.061 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -7.450 -8.253 -0.909 1.00 0.00 C ATOM 0 H LEU A 94 -4.506 -11.717 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.444 -11.517 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.101 -11.578 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.118 -10.178 0.152 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.277 -9.946 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.868 -9.272 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.358 -10.965 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.660 -9.693 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.288 -7.599 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.083 -8.022 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.651 -8.098 -1.634 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.412 -9.021 -2.380 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.068 -7.718 -3.016 1.00 0.00 C ATOM 1572 C TYR A 95 -3.097 -7.952 -4.176 1.00 0.00 C ATOM 1573 O TYR A 95 -2.135 -8.683 -4.057 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.411 -6.802 -1.981 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.426 -6.407 -0.935 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.489 -5.559 -1.275 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.304 -6.884 0.377 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.430 -5.191 -0.304 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.245 -6.515 1.348 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.307 -5.668 1.008 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.232 -5.304 1.964 1.00 0.00 O ATOM 0 H TYR A 95 -3.671 -9.441 -1.819 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.977 -7.250 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.570 -7.312 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.012 -5.913 -2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.583 -5.189 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.484 -7.536 0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.250 -4.540 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.151 -6.884 2.359 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.000 -5.723 2.819 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.345 -7.333 -5.298 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.438 -7.513 -6.466 1.00 0.00 C ATOM 1593 C VAL A 96 -2.137 -6.149 -7.091 1.00 0.00 C ATOM 1594 O VAL A 96 -2.885 -5.205 -6.932 1.00 0.00 O ATOM 1595 CB VAL A 96 -3.120 -8.407 -7.503 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -2.275 -8.458 -8.778 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.272 -9.821 -6.938 1.00 0.00 C ATOM 0 H VAL A 96 -4.137 -6.710 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.508 -7.977 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.103 -7.999 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.765 -9.096 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.168 -7.452 -9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.290 -8.862 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.758 -10.458 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.288 -10.226 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.878 -9.788 -6.033 1.00 0.00 H new ATOM 1607 N ASP A 97 -1.050 -6.037 -7.805 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.709 -4.734 -8.443 1.00 0.00 C ATOM 1609 C ASP A 97 -1.151 -4.771 -9.907 1.00 0.00 C ATOM 1610 O ASP A 97 -1.235 -5.823 -10.510 1.00 0.00 O ATOM 1611 CB ASP A 97 0.801 -4.506 -8.358 1.00 0.00 C ATOM 1612 CG ASP A 97 1.211 -4.342 -6.893 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.432 -4.722 -6.034 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.297 -3.838 -6.655 1.00 0.00 O ATOM 0 H ASP A 97 -0.384 -6.791 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.219 -3.920 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.332 -5.347 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.078 -3.618 -8.926 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.458 -3.640 -10.483 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.921 -3.639 -11.900 1.00 0.00 C ATOM 1621 C LEU A 98 -1.353 -2.434 -12.654 1.00 0.00 C ATOM 1622 O LEU A 98 -1.394 -1.310 -12.185 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.450 -3.567 -11.924 1.00 0.00 C ATOM 1624 CG LEU A 98 -4.006 -4.617 -12.887 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.639 -4.241 -14.323 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.406 -5.982 -12.550 1.00 0.00 C ATOM 0 H LEU A 98 -1.409 -2.724 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.574 -4.552 -12.384 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.846 -3.734 -10.922 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.771 -2.572 -12.232 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.091 -4.660 -12.790 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.036 -4.990 -15.008 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.065 -3.267 -14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.554 -4.197 -14.422 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.801 -6.732 -13.235 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.321 -5.937 -12.647 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.667 -6.252 -11.527 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.841 -2.667 -13.837 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.286 -1.551 -14.653 1.00 0.00 C ATOM 1640 C ARG A 99 -0.864 -1.645 -16.068 1.00 0.00 C ATOM 1641 O ARG A 99 -0.865 -2.697 -16.678 1.00 0.00 O ATOM 1642 CB ARG A 99 1.240 -1.661 -14.715 1.00 0.00 C ATOM 1643 CG ARG A 99 1.774 -0.729 -15.807 1.00 0.00 C ATOM 1644 CD ARG A 99 3.237 -0.384 -15.518 1.00 0.00 C ATOM 1645 NE ARG A 99 3.524 1.000 -15.987 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.740 1.471 -15.922 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.590 1.219 -16.880 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.106 2.195 -14.900 1.00 0.00 N ATOM 0 H ARG A 99 -0.785 -3.588 -14.272 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.553 -0.595 -14.202 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.674 -1.396 -13.751 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.533 -2.690 -14.924 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.689 -1.209 -16.782 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.176 0.182 -15.846 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.437 -0.466 -14.450 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.895 -1.093 -16.020 1.00 0.00 H new ATOM 0 HE ARG A 99 2.771 1.579 -16.359 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.304 0.654 -17.680 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.540 1.587 -16.829 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.442 2.393 -14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.056 2.563 -14.850 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.360 -0.560 -16.596 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.936 -0.601 -17.970 1.00 0.00 C ATOM 1664 C ARG A 100 -0.942 0.007 -18.960 1.00 0.00 C ATOM 1665 O ARG A 100 -0.187 0.899 -18.628 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.242 0.197 -18.003 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.253 -0.514 -18.906 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.614 0.393 -20.083 1.00 0.00 C ATOM 1669 NE ARG A 100 -3.992 -0.139 -21.328 1.00 0.00 N ATOM 1670 CZ ARG A 100 -4.700 -0.239 -22.420 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -5.118 0.838 -23.027 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -4.992 -1.415 -22.903 1.00 0.00 N ATOM 0 H ARG A 100 -1.391 0.351 -16.137 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.137 -1.636 -18.247 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.645 0.296 -16.995 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.055 1.205 -18.372 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.834 -1.452 -19.271 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.149 -0.765 -18.339 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.697 0.444 -20.198 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.265 1.408 -19.894 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.013 -0.425 -21.327 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.891 1.757 -22.648 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.671 0.760 -23.880 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.667 -2.257 -22.427 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.545 -1.493 -23.756 1.00 0.00 H new