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 Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 36 HIS :FLIP no HD1:sc= -4.16! C(o=-4.9!,f=-4.2!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 156:sc=-0.00813 (180deg=-0.366) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 59 CYS SG : rot -30:sc= -1.92! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 4.297 -9.838 -15.066 1.00 0.00 N ATOM 538 CA GLY A 33 4.589 -9.719 -16.523 1.00 0.00 C ATOM 539 C GLY A 33 3.586 -10.559 -17.315 1.00 0.00 C ATOM 540 O GLY A 33 3.884 -11.055 -18.384 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.530 -8.676 -16.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.605 -10.056 -16.730 1.00 0.00 H new ATOM 544 N SER A 34 2.399 -10.722 -16.800 1.00 0.00 N ATOM 545 CA SER A 34 1.377 -11.529 -17.523 1.00 0.00 C ATOM 546 C SER A 34 0.225 -10.620 -17.954 1.00 0.00 C ATOM 547 O SER A 34 -0.004 -9.576 -17.376 1.00 0.00 O ATOM 548 CB SER A 34 0.845 -12.626 -16.601 1.00 0.00 C ATOM 549 OG SER A 34 1.405 -13.875 -16.986 1.00 0.00 O ATOM 0 H SER A 34 2.093 -10.331 -15.909 1.00 0.00 H new ATOM 0 HA SER A 34 1.830 -11.986 -18.403 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.102 -12.403 -15.565 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.243 -12.669 -16.658 1.00 0.00 H new ATOM 0 HG SER A 34 1.067 -14.581 -16.396 1.00 0.00 H new ATOM 555 N VAL A 35 -0.502 -11.009 -18.965 1.00 0.00 N ATOM 556 CA VAL A 35 -1.639 -10.168 -19.433 1.00 0.00 C ATOM 557 C VAL A 35 -2.949 -10.926 -19.221 1.00 0.00 C ATOM 558 O VAL A 35 -3.099 -12.056 -19.644 1.00 0.00 O ATOM 559 CB VAL A 35 -1.459 -9.856 -20.919 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.023 -9.391 -21.170 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.735 -11.118 -21.741 1.00 0.00 C ATOM 0 H VAL A 35 -0.358 -11.873 -19.487 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.665 -9.236 -18.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.154 -9.070 -21.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.107 -9.168 -22.229 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.177 -8.495 -20.583 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.671 -10.179 -20.877 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.607 -10.897 -22.801 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.038 -11.903 -21.447 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.756 -11.453 -21.561 1.00 0.00 H new ATOM 571 N HIS A 36 -3.901 -10.318 -18.567 1.00 0.00 N ATOM 572 CA HIS A 36 -5.197 -11.014 -18.331 1.00 0.00 C ATOM 573 C HIS A 36 -6.347 -10.012 -18.425 1.00 0.00 C ATOM 574 O HIS A 36 -6.142 -8.813 -18.442 1.00 0.00 O ATOM 575 CB HIS A 36 -5.191 -11.646 -16.936 1.00 0.00 C ATOM 576 CG HIS A 36 -4.118 -12.696 -16.864 1.00 0.00 C ATOM 577 ND1 HIS A 36 -2.749 -12.608 -16.817 1.00 0.00 N flip ATOM 578 CD2 HIS A 36 -4.411 -14.051 -16.829 1.00 0.00 C flip ATOM 579 CE1 HIS A 36 -2.200 -13.885 -16.753 1.00 0.00 C flip ATOM 580 NE2 HIS A 36 -3.244 -14.717 -16.763 1.00 0.00 N flip ATOM 0 H HIS A 36 -3.838 -9.373 -18.187 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.329 -11.789 -19.085 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.017 -10.881 -16.180 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.163 -12.090 -16.722 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.397 -14.492 -16.851 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.153 -14.147 -16.705 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.166 -15.733 -16.725 1.00 0.00 H new ATOM 588 N GLU A 37 -7.560 -10.493 -18.482 1.00 0.00 N ATOM 589 CA GLU A 37 -8.726 -9.572 -18.570 1.00 0.00 C ATOM 590 C GLU A 37 -9.379 -9.447 -17.192 1.00 0.00 C ATOM 591 O GLU A 37 -9.473 -10.404 -16.448 1.00 0.00 O ATOM 592 CB GLU A 37 -9.743 -10.127 -19.571 1.00 0.00 C ATOM 593 CG GLU A 37 -10.257 -8.993 -20.460 1.00 0.00 C ATOM 594 CD GLU A 37 -10.268 -9.454 -21.918 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.693 -10.571 -22.163 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.853 -8.681 -22.767 1.00 0.00 O ATOM 0 H GLU A 37 -7.792 -11.486 -18.471 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.390 -8.590 -18.904 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.281 -10.902 -20.183 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.574 -10.593 -19.041 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.261 -8.702 -20.152 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.622 -8.114 -20.350 1.00 0.00 H new ATOM 603 N GLY A 38 -9.823 -8.272 -16.844 1.00 0.00 N ATOM 604 CA GLY A 38 -10.465 -8.074 -15.514 1.00 0.00 C ATOM 605 C GLY A 38 -11.499 -6.952 -15.613 1.00 0.00 C ATOM 606 O GLY A 38 -11.654 -6.328 -16.645 1.00 0.00 O ATOM 0 H GLY A 38 -9.769 -7.436 -17.426 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.944 -8.997 -15.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.711 -7.824 -14.767 1.00 0.00 H new ATOM 610 N ILE A 39 -12.207 -6.683 -14.550 1.00 0.00 N ATOM 611 CA ILE A 39 -13.225 -5.597 -14.593 1.00 0.00 C ATOM 612 C ILE A 39 -12.597 -4.323 -14.029 1.00 0.00 C ATOM 613 O ILE A 39 -11.666 -4.375 -13.252 1.00 0.00 O ATOM 614 CB ILE A 39 -14.439 -5.993 -13.748 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.815 -7.447 -14.047 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.620 -5.083 -14.091 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.818 -7.942 -13.003 1.00 0.00 C ATOM 0 H ILE A 39 -12.124 -7.167 -13.656 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.551 -5.430 -15.620 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.194 -5.888 -12.691 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.246 -7.524 -15.045 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.923 -8.074 -14.035 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.484 -5.365 -13.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.354 -4.047 -13.881 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.865 -5.187 -15.148 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.085 -8.977 -13.217 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.371 -7.880 -12.011 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.714 -7.322 -13.036 1.00 0.00 H new ATOM 629 N VAL A 40 -13.078 -3.180 -14.429 1.00 0.00 N ATOM 630 CA VAL A 40 -12.475 -1.914 -13.926 1.00 0.00 C ATOM 631 C VAL A 40 -13.311 -1.343 -12.780 1.00 0.00 C ATOM 632 O VAL A 40 -14.505 -1.549 -12.700 1.00 0.00 O ATOM 633 CB VAL A 40 -12.410 -0.897 -15.066 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.673 0.356 -14.593 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.660 -1.511 -16.251 1.00 0.00 C ATOM 0 H VAL A 40 -13.857 -3.067 -15.078 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.471 -2.123 -13.557 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.421 -0.629 -15.372 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.627 1.080 -15.406 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.204 0.793 -13.747 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.661 0.089 -14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.612 -0.788 -17.065 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.649 -1.778 -15.943 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.184 -2.405 -16.590 1.00 0.00 H new ATOM 645 N TYR A 41 -12.683 -0.621 -11.892 1.00 0.00 N ATOM 646 CA TYR A 41 -13.424 -0.023 -10.746 1.00 0.00 C ATOM 647 C TYR A 41 -12.783 1.318 -10.379 1.00 0.00 C ATOM 648 O TYR A 41 -11.600 1.521 -10.566 1.00 0.00 O ATOM 649 CB TYR A 41 -13.355 -0.967 -9.544 1.00 0.00 C ATOM 650 CG TYR A 41 -14.685 -0.970 -8.829 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.042 0.110 -8.011 1.00 0.00 C ATOM 652 CD2 TYR A 41 -15.562 -2.052 -8.983 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.277 0.108 -7.347 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.796 -2.054 -8.320 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.153 -0.975 -7.501 1.00 0.00 C ATOM 656 OH TYR A 41 -18.368 -0.978 -6.847 1.00 0.00 O ATOM 0 H TYR A 41 -11.683 -0.419 -11.912 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.467 0.132 -11.024 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.105 -1.975 -9.874 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.565 -0.649 -8.864 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.366 0.944 -7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.286 -2.885 -9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.553 0.941 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -17.472 -2.887 -8.440 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.854 -1.801 -7.063 1.00 0.00 H new ATOM 666 N PHE A 42 -13.553 2.237 -9.864 1.00 0.00 N ATOM 667 CA PHE A 42 -12.984 3.563 -9.492 1.00 0.00 C ATOM 668 C PHE A 42 -12.933 3.689 -7.968 1.00 0.00 C ATOM 669 O PHE A 42 -13.926 3.520 -7.289 1.00 0.00 O ATOM 670 CB PHE A 42 -13.866 4.674 -10.063 1.00 0.00 C ATOM 671 CG PHE A 42 -13.090 5.969 -10.092 1.00 0.00 C ATOM 672 CD1 PHE A 42 -13.032 6.777 -8.948 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.428 6.362 -11.261 1.00 0.00 C ATOM 674 CE1 PHE A 42 -12.311 7.978 -8.975 1.00 0.00 C ATOM 675 CE2 PHE A 42 -11.707 7.563 -11.289 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.649 8.371 -10.146 1.00 0.00 C ATOM 0 H PHE A 42 -14.551 2.127 -9.685 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.976 3.651 -9.898 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.194 4.412 -11.069 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.763 4.789 -9.455 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.543 6.474 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.473 5.739 -12.142 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.265 8.601 -8.094 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.196 7.866 -12.191 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.094 9.297 -10.167 1.00 0.00 H new ATOM 727 N ILE A 46 -7.650 6.352 -7.750 1.00 0.00 N ATOM 728 CA ILE A 46 -6.958 5.580 -8.819 1.00 0.00 C ATOM 729 C ILE A 46 -7.942 4.587 -9.431 1.00 0.00 C ATOM 730 O ILE A 46 -9.127 4.634 -9.168 1.00 0.00 O ATOM 731 CB ILE A 46 -5.774 4.818 -8.219 1.00 0.00 C ATOM 732 CG1 ILE A 46 -6.235 4.065 -6.968 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.669 5.805 -7.841 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.888 2.581 -7.108 1.00 0.00 C ATOM 0 HA ILE A 46 -6.594 6.263 -9.587 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.390 4.108 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.753 4.480 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.310 4.187 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.826 5.262 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.341 6.342 -8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.051 6.516 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.216 2.045 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.390 2.171 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.810 2.469 -7.222 1.00 0.00 H new ATOM 746 N PHE A 47 -7.468 3.683 -10.241 1.00 0.00 N ATOM 747 CA PHE A 47 -8.390 2.691 -10.856 1.00 0.00 C ATOM 748 C PHE A 47 -8.241 1.355 -10.127 1.00 0.00 C ATOM 749 O PHE A 47 -7.405 1.203 -9.259 1.00 0.00 O ATOM 750 CB PHE A 47 -8.046 2.518 -12.335 1.00 0.00 C ATOM 751 CG PHE A 47 -8.857 3.496 -13.152 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.006 4.818 -12.712 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.461 3.081 -14.345 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.760 5.726 -13.466 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.215 3.989 -15.100 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.365 5.312 -14.660 1.00 0.00 C ATOM 0 H PHE A 47 -6.487 3.589 -10.503 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.419 3.040 -10.771 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.981 2.687 -12.495 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.258 1.497 -12.653 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.539 5.137 -11.792 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.346 2.062 -14.683 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.875 6.745 -13.127 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.681 3.670 -16.021 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.947 6.012 -15.241 1.00 0.00 H new ATOM 766 N LYS A 48 -9.047 0.389 -10.464 1.00 0.00 N ATOM 767 CA LYS A 48 -8.946 -0.929 -9.780 1.00 0.00 C ATOM 768 C LYS A 48 -9.335 -2.042 -10.751 1.00 0.00 C ATOM 769 O LYS A 48 -10.153 -1.856 -11.631 1.00 0.00 O ATOM 770 CB LYS A 48 -9.889 -0.950 -8.576 1.00 0.00 C ATOM 771 CG LYS A 48 -9.165 -1.556 -7.372 1.00 0.00 C ATOM 772 CD LYS A 48 -9.934 -1.221 -6.093 1.00 0.00 C ATOM 773 CE LYS A 48 -10.045 -2.473 -5.221 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.681 -2.981 -4.906 1.00 0.00 N ATOM 0 H LYS A 48 -9.769 0.454 -11.181 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.921 -1.085 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.221 0.062 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.780 -1.532 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.085 -2.637 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.149 -1.166 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.423 -0.428 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.928 -0.848 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.580 -2.241 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.620 -3.240 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.713 -3.542 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.344 -3.579 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.032 -2.178 -4.779 1.00 0.00 H new ATOM 788 N VAL A 49 -8.756 -3.200 -10.598 1.00 0.00 N ATOM 789 CA VAL A 49 -9.091 -4.328 -11.510 1.00 0.00 C ATOM 790 C VAL A 49 -9.512 -5.539 -10.678 1.00 0.00 C ATOM 791 O VAL A 49 -8.738 -6.077 -9.913 1.00 0.00 O ATOM 792 CB VAL A 49 -7.863 -4.683 -12.350 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.305 -5.430 -13.610 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.132 -3.400 -12.749 1.00 0.00 C ATOM 0 H VAL A 49 -8.064 -3.414 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.908 -4.038 -12.170 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.195 -5.317 -11.767 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.430 -5.683 -14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.828 -6.344 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.973 -4.796 -14.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.256 -3.651 -13.348 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.801 -2.767 -13.332 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.817 -2.867 -11.852 1.00 0.00 H new ATOM 804 N ARG A 50 -10.734 -5.973 -10.818 1.00 0.00 N ATOM 805 CA ARG A 50 -11.199 -7.148 -10.028 1.00 0.00 C ATOM 806 C ARG A 50 -11.117 -8.405 -10.893 1.00 0.00 C ATOM 807 O ARG A 50 -11.562 -8.423 -12.022 1.00 0.00 O ATOM 808 CB ARG A 50 -12.647 -6.928 -9.585 1.00 0.00 C ATOM 809 CG ARG A 50 -12.924 -7.746 -8.323 1.00 0.00 C ATOM 810 CD ARG A 50 -14.409 -7.647 -7.965 1.00 0.00 C ATOM 811 NE ARG A 50 -14.942 -9.009 -7.675 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.222 -9.242 -7.769 1.00 0.00 C ATOM 813 NH1 ARG A 50 -17.080 -8.324 -7.415 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.643 -10.393 -8.217 1.00 0.00 N ATOM 0 H ARG A 50 -11.429 -5.566 -11.444 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.566 -7.267 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.822 -5.870 -9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.331 -7.224 -10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.647 -8.788 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.315 -7.378 -7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.543 -7.000 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.963 -7.196 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.306 -9.758 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.749 -7.425 -7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.081 -8.506 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.971 -11.109 -8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.644 -10.576 -8.291 1.00 0.00 H new ATOM 828 N LEU A 51 -10.546 -9.459 -10.374 1.00 0.00 N ATOM 829 CA LEU A 51 -10.435 -10.709 -11.175 1.00 0.00 C ATOM 830 C LEU A 51 -11.687 -11.567 -10.972 1.00 0.00 C ATOM 831 O LEU A 51 -11.784 -12.324 -10.027 1.00 0.00 O ATOM 832 CB LEU A 51 -9.199 -11.492 -10.728 1.00 0.00 C ATOM 833 CG LEU A 51 -8.347 -11.836 -11.949 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.416 -10.666 -12.271 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.513 -13.082 -11.651 1.00 0.00 C ATOM 0 H LEU A 51 -10.154 -9.507 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.343 -10.454 -12.231 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.618 -10.902 -10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.500 -12.404 -10.212 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.997 -12.027 -12.803 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.809 -10.913 -13.142 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.009 -9.776 -12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.765 -10.474 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.904 -13.329 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.864 -12.890 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.175 -13.917 -11.423 1.00 0.00 H new ATOM 847 N LEU A 52 -12.643 -11.456 -11.854 1.00 0.00 N ATOM 848 CA LEU A 52 -13.884 -12.270 -11.711 1.00 0.00 C ATOM 849 C LEU A 52 -13.552 -13.743 -11.953 1.00 0.00 C ATOM 850 O LEU A 52 -12.795 -14.081 -12.840 1.00 0.00 O ATOM 851 CB LEU A 52 -14.923 -11.805 -12.735 1.00 0.00 C ATOM 852 CG LEU A 52 -16.197 -12.638 -12.580 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.377 -11.717 -12.265 1.00 0.00 C ATOM 854 CD2 LEU A 52 -16.475 -13.390 -13.885 1.00 0.00 C ATOM 0 H LEU A 52 -12.619 -10.839 -12.665 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.288 -12.146 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.146 -10.748 -12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.527 -11.910 -13.745 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.066 -13.352 -11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.284 -12.312 -12.155 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.181 -11.179 -11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.508 -11.003 -13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.382 -13.984 -13.776 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -16.605 -12.674 -14.697 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.636 -14.048 -14.112 1.00 0.00 H new ATOM 866 N GLY A 53 -14.110 -14.622 -11.167 1.00 0.00 N ATOM 867 CA GLY A 53 -13.822 -16.073 -11.348 1.00 0.00 C ATOM 868 C GLY A 53 -12.942 -16.558 -10.195 1.00 0.00 C ATOM 869 O GLY A 53 -13.003 -17.703 -9.792 1.00 0.00 O ATOM 0 H GLY A 53 -14.753 -14.398 -10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.752 -16.640 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.319 -16.240 -12.301 1.00 0.00 H new ATOM 873 N TYR A 54 -12.129 -15.692 -9.659 1.00 0.00 N ATOM 874 CA TYR A 54 -11.246 -16.093 -8.528 1.00 0.00 C ATOM 875 C TYR A 54 -11.617 -15.274 -7.289 1.00 0.00 C ATOM 876 O TYR A 54 -10.848 -14.457 -6.821 1.00 0.00 O ATOM 877 CB TYR A 54 -9.787 -15.821 -8.899 1.00 0.00 C ATOM 878 CG TYR A 54 -9.116 -17.115 -9.299 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.225 -17.584 -10.615 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.380 -17.843 -8.354 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.599 -18.782 -10.985 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.755 -19.041 -8.724 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.864 -19.511 -10.040 1.00 0.00 C ATOM 884 OH TYR A 54 -7.247 -20.689 -10.405 1.00 0.00 O ATOM 0 H TYR A 54 -12.037 -14.721 -9.956 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.374 -17.155 -8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.737 -15.105 -9.719 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.263 -15.374 -8.054 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.791 -17.023 -11.344 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.295 -17.480 -7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.683 -19.144 -11.999 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.189 -19.602 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.779 -21.067 -9.631 1.00 0.00 H new ATOM 894 N GLU A 55 -12.792 -15.485 -6.758 1.00 0.00 N ATOM 895 CA GLU A 55 -13.223 -14.719 -5.552 1.00 0.00 C ATOM 896 C GLU A 55 -12.053 -14.600 -4.572 1.00 0.00 C ATOM 897 O GLU A 55 -11.670 -15.557 -3.928 1.00 0.00 O ATOM 898 CB GLU A 55 -14.385 -15.449 -4.873 1.00 0.00 C ATOM 899 CG GLU A 55 -15.651 -14.596 -4.972 1.00 0.00 C ATOM 900 CD GLU A 55 -16.876 -15.508 -5.068 1.00 0.00 C ATOM 901 OE1 GLU A 55 -17.025 -16.162 -6.088 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.643 -15.538 -4.120 1.00 0.00 O ATOM 0 H GLU A 55 -13.474 -16.157 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.544 -13.722 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.548 -16.417 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.145 -15.643 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.735 -13.948 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.598 -13.948 -5.847 1.00 0.00 H new ATOM 909 N GLY A 56 -11.482 -13.433 -4.458 1.00 0.00 N ATOM 910 CA GLY A 56 -10.337 -13.249 -3.524 1.00 0.00 C ATOM 911 C GLY A 56 -9.144 -12.672 -4.290 1.00 0.00 C ATOM 912 O GLY A 56 -8.003 -12.957 -3.986 1.00 0.00 O ATOM 0 H GLY A 56 -11.760 -12.597 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.620 -12.580 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.066 -14.203 -3.071 1.00 0.00 H new ATOM 916 N HIS A 57 -9.400 -11.867 -5.284 1.00 0.00 N ATOM 917 CA HIS A 57 -8.279 -11.276 -6.068 1.00 0.00 C ATOM 918 C HIS A 57 -8.602 -9.822 -6.418 1.00 0.00 C ATOM 919 O HIS A 57 -9.227 -9.538 -7.423 1.00 0.00 O ATOM 920 CB HIS A 57 -8.077 -12.079 -7.353 1.00 0.00 C ATOM 921 CG HIS A 57 -6.613 -12.368 -7.535 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.942 -12.074 -8.712 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.676 -12.918 -6.697 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.660 -12.446 -8.551 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.443 -12.968 -7.341 1.00 0.00 N ATOM 0 H HIS A 57 -10.335 -11.593 -5.587 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.367 -11.307 -5.472 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.640 -13.011 -7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.458 -11.520 -8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.866 -13.260 -5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.898 -12.336 -9.308 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.563 -13.326 -6.969 1.00 0.00 H new ATOM 933 N GLU A 58 -8.173 -8.900 -5.600 1.00 0.00 N ATOM 934 CA GLU A 58 -8.442 -7.464 -5.882 1.00 0.00 C ATOM 935 C GLU A 58 -7.132 -6.780 -6.273 1.00 0.00 C ATOM 936 O GLU A 58 -6.167 -6.802 -5.537 1.00 0.00 O ATOM 937 CB GLU A 58 -9.019 -6.793 -4.634 1.00 0.00 C ATOM 938 CG GLU A 58 -10.460 -6.359 -4.907 1.00 0.00 C ATOM 939 CD GLU A 58 -11.339 -6.720 -3.708 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.929 -7.567 -2.930 1.00 0.00 O ATOM 941 OE2 GLU A 58 -12.408 -6.144 -3.588 1.00 0.00 O ATOM 0 H GLU A 58 -7.646 -9.082 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.160 -7.378 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.990 -7.483 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.414 -5.929 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.499 -5.285 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.834 -6.849 -5.806 1.00 0.00 H new ATOM 948 N CYS A 59 -7.090 -6.178 -7.427 1.00 0.00 N ATOM 949 CA CYS A 59 -5.839 -5.499 -7.864 1.00 0.00 C ATOM 950 C CYS A 59 -6.091 -3.999 -7.997 1.00 0.00 C ATOM 951 O CYS A 59 -7.216 -3.543 -7.983 1.00 0.00 O ATOM 952 CB CYS A 59 -5.393 -6.061 -9.219 1.00 0.00 C ATOM 953 SG CYS A 59 -5.747 -7.835 -9.288 1.00 0.00 S ATOM 0 H CYS A 59 -7.866 -6.126 -8.086 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.058 -5.674 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.912 -5.545 -10.027 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.327 -5.887 -9.363 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.677 -8.338 -8.091 1.00 0.00 H new ATOM 959 N ILE A 60 -5.049 -3.229 -8.131 1.00 0.00 N ATOM 960 CA ILE A 60 -5.221 -1.757 -8.268 1.00 0.00 C ATOM 961 C ILE A 60 -4.578 -1.298 -9.578 1.00 0.00 C ATOM 962 O ILE A 60 -3.449 -1.632 -9.875 1.00 0.00 O ATOM 963 CB ILE A 60 -4.546 -1.054 -7.089 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.201 -1.725 -6.801 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.441 -1.157 -5.851 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.467 -0.952 -5.703 1.00 0.00 C ATOM 0 H ILE A 60 -4.083 -3.556 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.282 -1.508 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.386 -0.004 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.358 -2.758 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.596 -1.753 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.960 -0.656 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.401 -0.682 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.601 -2.207 -5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.509 -1.431 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.297 0.073 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.071 -0.947 -4.796 1.00 0.00 H new ATOM 978 N LEU A 61 -5.285 -0.534 -10.365 1.00 0.00 N ATOM 979 CA LEU A 61 -4.708 -0.063 -11.655 1.00 0.00 C ATOM 980 C LEU A 61 -4.160 1.352 -11.475 1.00 0.00 C ATOM 981 O LEU A 61 -4.891 2.282 -11.188 1.00 0.00 O ATOM 982 CB LEU A 61 -5.794 -0.057 -12.732 1.00 0.00 C ATOM 983 CG LEU A 61 -5.187 0.385 -14.065 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.511 -0.811 -14.738 1.00 0.00 C ATOM 985 CD2 LEU A 61 -6.294 0.925 -14.975 1.00 0.00 C ATOM 0 H LEU A 61 -6.235 -0.216 -10.171 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.903 -0.732 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.229 -1.051 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.601 0.617 -12.446 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.449 1.167 -13.888 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.078 -0.497 -15.688 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.724 -1.196 -14.090 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.249 -1.593 -14.916 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.863 1.240 -15.925 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.032 0.143 -15.153 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.776 1.777 -14.495 1.00 0.00 H new ATOM 997 N LEU A 62 -2.876 1.522 -11.634 1.00 0.00 N ATOM 998 CA LEU A 62 -2.280 2.877 -11.465 1.00 0.00 C ATOM 999 C LEU A 62 -1.449 3.233 -12.696 1.00 0.00 C ATOM 1000 O LEU A 62 -0.692 4.182 -12.690 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.388 2.885 -10.221 1.00 0.00 C ATOM 1002 CG LEU A 62 -2.040 2.046 -9.122 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.231 0.767 -8.904 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -2.077 2.853 -7.822 1.00 0.00 C ATOM 0 H LEU A 62 -2.215 0.783 -11.873 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.076 3.612 -11.348 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.404 2.485 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.239 3.907 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.056 1.785 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.698 0.170 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.203 0.192 -9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.215 1.026 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.542 2.257 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.061 3.114 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.655 3.764 -7.976 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.543 3.289 -16.307 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.124 2.317 -15.254 1.00 0.00 C ATOM 1326 C VAL A 80 -16.036 1.090 -15.293 1.00 0.00 C ATOM 1327 O VAL A 80 -17.107 1.117 -15.867 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.223 2.975 -13.878 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.602 2.052 -12.826 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.472 4.308 -13.893 1.00 0.00 C ATOM 0 HA VAL A 80 -14.094 2.012 -15.439 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.271 3.152 -13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.672 2.520 -11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.137 1.102 -12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.554 1.875 -13.070 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.543 4.777 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.424 4.133 -14.136 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.913 4.966 -14.642 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.619 0.013 -14.690 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.459 -1.216 -14.699 1.00 0.00 C ATOM 1342 C GLY A 81 -16.140 -2.037 -15.948 1.00 0.00 C ATOM 1343 O GLY A 81 -15.912 -3.228 -15.878 1.00 0.00 O ATOM 0 H GLY A 81 -14.733 -0.070 -14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.269 -1.807 -13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.516 -0.948 -14.686 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.122 -1.404 -17.093 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.821 -2.140 -18.356 1.00 0.00 C ATOM 1349 C ARG A 82 -14.689 -3.143 -18.121 1.00 0.00 C ATOM 1350 O ARG A 82 -13.851 -2.961 -17.259 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.396 -1.142 -19.434 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.170 -1.421 -20.724 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.255 -0.358 -20.910 1.00 0.00 C ATOM 1354 NE ARG A 82 -18.322 -0.889 -21.803 1.00 0.00 N ATOM 1355 CZ ARG A 82 -19.563 -0.527 -21.624 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -19.997 0.592 -22.139 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -20.372 -1.283 -20.933 1.00 0.00 N ATOM 0 H ARG A 82 -16.303 -0.407 -17.207 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.713 -2.676 -18.679 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.587 -0.123 -19.096 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.324 -1.222 -19.616 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.491 -1.415 -21.576 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.621 -2.412 -20.683 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.678 -0.082 -19.944 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.823 0.546 -21.339 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.083 -1.536 -22.555 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.366 1.183 -22.681 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.967 0.875 -21.999 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.035 -2.158 -20.532 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.342 -0.999 -20.794 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.658 -4.201 -18.886 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.581 -5.217 -18.715 1.00 0.00 C ATOM 1373 C VAL A 83 -12.495 -4.978 -19.767 1.00 0.00 C ATOM 1374 O VAL A 83 -12.782 -4.710 -20.918 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.173 -6.618 -18.893 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -14.460 -6.874 -20.373 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -13.176 -7.658 -18.379 1.00 0.00 C ATOM 0 H VAL A 83 -15.333 -4.405 -19.623 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.147 -5.133 -17.719 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.103 -6.692 -18.329 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.881 -7.872 -20.495 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.171 -6.133 -20.739 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.533 -6.800 -20.942 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.595 -8.657 -18.504 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.246 -7.581 -18.943 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.975 -7.479 -17.323 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.250 -5.062 -19.385 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.155 -4.830 -20.370 1.00 0.00 C ATOM 1389 C ILE A 84 -8.965 -5.741 -20.055 1.00 0.00 C ATOM 1390 O ILE A 84 -8.919 -6.387 -19.028 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.701 -3.367 -20.297 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.897 -3.141 -19.011 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.921 -2.444 -20.309 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.773 -3.433 -17.791 1.00 0.00 C ATOM 0 H ILE A 84 -10.944 -5.280 -18.437 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.526 -5.053 -21.370 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.074 -3.143 -21.160 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.019 -3.787 -19.002 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.537 -2.113 -18.973 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.592 -1.406 -20.257 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.486 -2.600 -21.228 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.555 -2.667 -19.451 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.195 -3.270 -16.881 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.637 -2.768 -17.796 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.112 -4.469 -17.826 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.000 -5.787 -20.931 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.806 -6.645 -20.686 1.00 0.00 C ATOM 1408 C LYS A 85 -5.648 -5.765 -20.208 1.00 0.00 C ATOM 1409 O LYS A 85 -5.228 -4.854 -20.891 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.408 -7.351 -21.984 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.013 -8.798 -21.681 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.840 -9.743 -22.552 1.00 0.00 C ATOM 1413 CE LYS A 85 -5.931 -10.829 -23.131 1.00 0.00 C ATOM 1414 NZ LYS A 85 -6.468 -12.171 -22.768 1.00 0.00 N ATOM 0 H LYS A 85 -7.986 -5.266 -21.808 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.039 -7.392 -19.927 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.238 -7.330 -22.690 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.576 -6.827 -22.454 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.950 -8.944 -21.874 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.179 -9.019 -20.627 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.636 -10.197 -21.961 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.319 -9.187 -23.358 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.873 -10.730 -24.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.918 -10.714 -22.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.851 -12.910 -23.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.502 -12.263 -21.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.427 -12.278 -23.157 1.00 0.00 H new ATOM 1428 N THR A 86 -5.135 -6.027 -19.038 1.00 0.00 N ATOM 1429 CA THR A 86 -4.011 -5.200 -18.517 1.00 0.00 C ATOM 1430 C THR A 86 -2.863 -6.111 -18.083 1.00 0.00 C ATOM 1431 O THR A 86 -2.969 -7.322 -18.122 1.00 0.00 O ATOM 1432 CB THR A 86 -4.495 -4.378 -17.321 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.548 -5.072 -16.667 1.00 0.00 O ATOM 1434 CG2 THR A 86 -4.999 -3.019 -17.807 1.00 0.00 C ATOM 0 H THR A 86 -5.445 -6.777 -18.421 1.00 0.00 H new ATOM 0 HA THR A 86 -3.661 -4.528 -19.301 1.00 0.00 H new ATOM 0 HB THR A 86 -3.671 -4.229 -16.623 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.858 -4.548 -15.899 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.344 -2.433 -16.955 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.189 -2.489 -18.308 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.824 -3.165 -18.505 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.761 -5.540 -17.672 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.608 -6.378 -17.240 1.00 0.00 C ATOM 1444 C ARG A 87 -0.610 -6.498 -15.716 1.00 0.00 C ATOM 1445 O ARG A 87 -1.138 -5.653 -15.015 1.00 0.00 O ATOM 1446 CB ARG A 87 0.697 -5.726 -17.702 1.00 0.00 C ATOM 1447 CG ARG A 87 1.016 -6.171 -19.132 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.242 -6.058 -19.999 1.00 0.00 C ATOM 1449 NE ARG A 87 0.149 -5.989 -21.435 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.771 -5.948 -22.360 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.875 -6.630 -22.214 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.587 -5.225 -23.431 1.00 0.00 N ATOM 0 H ARG A 87 -1.611 -4.532 -17.618 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.692 -7.371 -17.682 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.608 -4.640 -17.660 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.511 -6.005 -17.033 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.812 -5.553 -19.547 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.378 -7.199 -19.131 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.892 -6.916 -19.829 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.809 -5.169 -19.722 1.00 0.00 H new ATOM 0 HE ARG A 87 1.135 -5.974 -21.695 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.019 -7.195 -21.377 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.594 -6.598 -22.937 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.275 -4.692 -23.545 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.306 -5.193 -24.154 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.028 -7.543 -15.195 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.006 -7.725 -13.718 1.00 0.00 C ATOM 1468 C VAL A 88 1.324 -7.227 -13.159 1.00 0.00 C ATOM 1469 O VAL A 88 2.383 -7.694 -13.529 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.174 -9.208 -13.385 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.600 -9.358 -11.923 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.246 -9.815 -14.293 1.00 0.00 C ATOM 0 H VAL A 88 0.433 -8.279 -15.730 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.822 -7.156 -13.272 1.00 0.00 H new ATOM 0 HB VAL A 88 0.772 -9.725 -13.542 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.720 -10.415 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.162 -8.925 -11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.547 -8.841 -11.765 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.367 -10.872 -14.057 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.192 -9.297 -14.135 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.943 -9.708 -15.335 1.00 0.00 H new ATOM 1482 N VAL A 89 1.273 -6.276 -12.269 1.00 0.00 N ATOM 1483 CA VAL A 89 2.528 -5.739 -11.681 1.00 0.00 C ATOM 1484 C VAL A 89 3.064 -6.721 -10.638 1.00 0.00 C ATOM 1485 O VAL A 89 4.253 -6.943 -10.532 1.00 0.00 O ATOM 1486 CB VAL A 89 2.241 -4.394 -11.012 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.426 -3.994 -10.130 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.024 -3.326 -12.086 1.00 0.00 C ATOM 0 H VAL A 89 0.414 -5.848 -11.924 1.00 0.00 H new ATOM 0 HA VAL A 89 3.270 -5.604 -12.468 1.00 0.00 H new ATOM 0 HB VAL A 89 1.345 -4.481 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.219 -3.035 -9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.581 -4.753 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.323 -3.908 -10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.819 -2.367 -11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.920 -3.242 -12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.178 -3.607 -12.713 1.00 0.00 H new ATOM 1498 N ARG A 90 2.195 -7.313 -9.863 1.00 0.00 N ATOM 1499 CA ARG A 90 2.659 -8.275 -8.829 1.00 0.00 C ATOM 1500 C ARG A 90 1.458 -8.799 -8.039 1.00 0.00 C ATOM 1501 O ARG A 90 0.916 -8.122 -7.188 1.00 0.00 O ATOM 1502 CB ARG A 90 3.630 -7.571 -7.877 1.00 0.00 C ATOM 1503 CG ARG A 90 5.044 -8.110 -8.103 1.00 0.00 C ATOM 1504 CD ARG A 90 6.058 -6.981 -7.910 1.00 0.00 C ATOM 1505 NE ARG A 90 6.610 -7.041 -6.527 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.180 -5.989 -6.007 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.552 -5.001 -6.774 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.377 -5.924 -4.719 1.00 0.00 N ATOM 0 H ARG A 90 1.186 -7.171 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 90 3.165 -9.111 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.608 -6.495 -8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.327 -7.736 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.251 -8.922 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.131 -8.523 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.863 -7.072 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.581 -6.016 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 90 6.542 -7.904 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.397 -5.051 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.998 -4.179 -6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.085 -6.696 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.823 -5.102 -4.312 1.00 0.00 H new ATOM 1522 N ALA A 91 1.044 -10.004 -8.318 1.00 0.00 N ATOM 1523 CA ALA A 91 -0.118 -10.589 -7.589 1.00 0.00 C ATOM 1524 C ALA A 91 0.394 -11.563 -6.527 1.00 0.00 C ATOM 1525 O ALA A 91 1.197 -12.432 -6.804 1.00 0.00 O ATOM 1526 CB ALA A 91 -1.013 -11.339 -8.577 1.00 0.00 C ATOM 0 H ALA A 91 1.462 -10.612 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.691 -9.793 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.863 -11.767 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.373 -10.648 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.442 -12.137 -9.051 1.00 0.00 H new ATOM 1532 N ASP A 92 -0.062 -11.430 -5.311 1.00 0.00 N ATOM 1533 CA ASP A 92 0.405 -12.352 -4.239 1.00 0.00 C ATOM 1534 C ASP A 92 -0.800 -12.897 -3.474 1.00 0.00 C ATOM 1535 O ASP A 92 -0.846 -14.056 -3.112 1.00 0.00 O ATOM 1536 CB ASP A 92 1.322 -11.593 -3.277 1.00 0.00 C ATOM 1537 CG ASP A 92 1.720 -12.511 -2.118 1.00 0.00 C ATOM 1538 OD1 ASP A 92 1.796 -13.708 -2.338 1.00 0.00 O ATOM 1539 OD2 ASP A 92 1.940 -12.000 -1.033 1.00 0.00 O ATOM 0 H ASP A 92 -0.736 -10.724 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 92 0.955 -13.180 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.212 -11.247 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.813 -10.708 -2.895 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.776 -12.071 -3.222 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.978 -12.542 -2.478 1.00 0.00 C ATOM 1546 C GLY A 93 -4.195 -11.712 -2.889 1.00 0.00 C ATOM 1547 O GLY A 93 -4.502 -11.577 -4.056 1.00 0.00 O ATOM 0 H GLY A 93 -1.794 -11.089 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.157 -13.597 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.811 -12.454 -1.404 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.895 -11.159 -1.936 1.00 0.00 N ATOM 1552 CA LEU A 94 -6.096 -10.342 -2.270 1.00 0.00 C ATOM 1553 C LEU A 94 -5.662 -8.962 -2.769 1.00 0.00 C ATOM 1554 O LEU A 94 -6.424 -8.249 -3.390 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.964 -10.179 -1.021 1.00 0.00 C ATOM 1556 CG LEU A 94 -8.148 -11.144 -1.095 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.899 -12.331 -0.164 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -9.424 -10.418 -0.663 1.00 0.00 C ATOM 0 H LEU A 94 -4.687 -11.238 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.666 -10.845 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.374 -10.378 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.322 -9.152 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.260 -11.502 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.743 -13.018 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.990 -12.849 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.786 -11.973 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.269 -11.105 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.310 -10.060 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.603 -9.571 -1.326 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.446 -8.578 -2.504 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.977 -7.244 -2.970 1.00 0.00 C ATOM 1572 C TYR A 95 -2.943 -7.432 -4.081 1.00 0.00 C ATOM 1573 O TYR A 95 -1.928 -8.073 -3.896 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.345 -6.484 -1.803 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.343 -5.498 -1.247 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.490 -5.959 -0.588 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.122 -4.121 -1.389 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.418 -5.044 -0.072 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.050 -3.206 -0.874 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.197 -3.667 -0.215 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.111 -2.766 0.292 1.00 0.00 O ATOM 0 H TYR A 95 -3.759 -9.127 -1.987 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.823 -6.673 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.035 -7.182 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.449 -5.961 -2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.659 -7.020 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.237 -3.765 -1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.303 -5.400 0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.881 -2.145 -0.985 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.806 -1.853 0.109 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.198 -6.886 -5.238 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.234 -7.042 -6.363 1.00 0.00 C ATOM 1593 C VAL A 96 -1.988 -5.686 -7.024 1.00 0.00 C ATOM 1594 O VAL A 96 -2.808 -4.792 -6.954 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.821 -8.000 -7.399 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.875 -8.104 -8.597 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.003 -9.383 -6.767 1.00 0.00 C ATOM 0 H VAL A 96 -4.032 -6.339 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.293 -7.437 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.787 -7.624 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.296 -8.788 -9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.747 -7.119 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.907 -8.479 -8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.422 -10.068 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.037 -9.759 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.680 -9.308 -5.916 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.872 -5.530 -7.680 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.585 -4.238 -8.361 1.00 0.00 C ATOM 1609 C ASP A 97 -0.941 -4.386 -9.842 1.00 0.00 C ATOM 1610 O ASP A 97 -0.880 -5.467 -10.392 1.00 0.00 O ATOM 1611 CB ASP A 97 0.898 -3.894 -8.207 1.00 0.00 C ATOM 1612 CG ASP A 97 1.121 -3.192 -6.866 1.00 0.00 C ATOM 1613 OD1 ASP A 97 1.324 -3.885 -5.883 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.083 -1.973 -6.846 1.00 0.00 O ATOM 0 H ASP A 97 -0.147 -6.241 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.174 -3.436 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.500 -4.801 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.220 -3.250 -9.025 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.341 -3.326 -10.491 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.724 -3.453 -11.927 1.00 0.00 C ATOM 1621 C LEU A 98 -1.109 -2.331 -12.761 1.00 0.00 C ATOM 1622 O LEU A 98 -1.150 -1.167 -12.397 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.246 -3.382 -12.046 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.754 -4.570 -12.864 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.323 -4.403 -14.321 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.166 -5.867 -12.301 1.00 0.00 C ATOM 0 H LEU A 98 -1.419 -2.389 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.353 -4.408 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.699 -3.390 -11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.540 -2.447 -12.523 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.842 -4.613 -12.809 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.684 -5.249 -14.906 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.742 -3.480 -14.721 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.235 -4.361 -14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.528 -6.714 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.078 -5.827 -12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.473 -5.984 -11.262 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.557 -2.678 -13.896 1.00 0.00 N ATOM 1639 CA ARG A 99 0.048 -1.648 -14.782 1.00 0.00 C ATOM 1640 C ARG A 99 -0.638 -1.697 -16.150 1.00 0.00 C ATOM 1641 O ARG A 99 -0.697 -2.727 -16.794 1.00 0.00 O ATOM 1642 CB ARG A 99 1.545 -1.921 -14.944 1.00 0.00 C ATOM 1643 CG ARG A 99 1.757 -3.326 -15.512 1.00 0.00 C ATOM 1644 CD ARG A 99 3.176 -3.799 -15.184 1.00 0.00 C ATOM 1645 NE ARG A 99 3.887 -4.160 -16.442 1.00 0.00 N ATOM 1646 CZ ARG A 99 5.175 -4.374 -16.423 1.00 0.00 C ATOM 1647 NH1 ARG A 99 6.005 -3.372 -16.509 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.632 -5.592 -16.318 1.00 0.00 N ATOM 0 H ARG A 99 -0.501 -3.635 -14.245 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.087 -0.661 -14.341 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.989 -1.180 -15.608 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.047 -1.828 -13.981 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.026 -4.015 -15.090 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.604 -3.321 -16.591 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.720 -3.013 -14.660 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.138 -4.660 -14.516 1.00 0.00 H new ATOM 0 HE ARG A 99 3.369 -4.240 -17.317 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.648 -2.420 -16.591 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.011 -3.540 -16.494 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.983 -6.376 -16.251 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.638 -5.760 -16.303 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.164 -0.588 -16.591 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.854 -0.556 -17.910 1.00 0.00 C ATOM 1664 C ARG A 100 -0.859 -0.147 -18.999 1.00 0.00 C ATOM 1665 O ARG A 100 -0.152 0.833 -18.870 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.997 0.461 -17.857 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.720 0.491 -19.204 1.00 0.00 C ATOM 1668 CD ARG A 100 -5.218 0.275 -18.981 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.774 -0.533 -20.103 1.00 0.00 N ATOM 1670 CZ ARG A 100 -7.031 -0.415 -20.430 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -7.907 -0.051 -19.534 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -7.412 -0.659 -21.654 1.00 0.00 N ATOM 0 H ARG A 100 -1.145 0.301 -16.092 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.253 -1.545 -18.137 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.696 0.197 -17.064 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.606 1.451 -17.621 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.549 1.446 -19.700 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.323 -0.284 -19.860 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.386 -0.235 -18.033 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.730 1.235 -18.921 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.172 -1.178 -20.615 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.609 0.141 -18.578 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.890 0.041 -19.790 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.727 -0.942 -22.355 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.395 -0.567 -21.910 1.00 0.00 H new