USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-1.1) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.33) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -167:sc= -2.06! USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 5.002 -9.037 -16.637 1.00 0.00 N ATOM 538 CA GLY A 33 4.732 -8.863 -18.093 1.00 0.00 C ATOM 539 C GLY A 33 3.603 -9.803 -18.518 1.00 0.00 C ATOM 540 O GLY A 33 3.707 -10.510 -19.500 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.457 -7.829 -18.302 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.633 -9.076 -18.669 1.00 0.00 H new ATOM 544 N SER A 34 2.522 -9.817 -17.786 1.00 0.00 N ATOM 545 CA SER A 34 1.388 -10.712 -18.149 1.00 0.00 C ATOM 546 C SER A 34 0.125 -9.875 -18.365 1.00 0.00 C ATOM 547 O SER A 34 -0.239 -9.059 -17.542 1.00 0.00 O ATOM 548 CB SER A 34 1.149 -11.714 -17.019 1.00 0.00 C ATOM 549 OG SER A 34 1.136 -13.032 -17.554 1.00 0.00 O ATOM 0 H SER A 34 2.376 -9.247 -16.953 1.00 0.00 H new ATOM 0 HA SER A 34 1.628 -11.249 -19.067 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.931 -11.623 -16.265 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.202 -11.501 -16.523 1.00 0.00 H new ATOM 0 HG SER A 34 0.985 -13.677 -16.832 1.00 0.00 H new ATOM 555 N VAL A 35 -0.546 -10.070 -19.467 1.00 0.00 N ATOM 556 CA VAL A 35 -1.784 -9.285 -19.736 1.00 0.00 C ATOM 557 C VAL A 35 -3.012 -10.130 -19.388 1.00 0.00 C ATOM 558 O VAL A 35 -3.082 -11.301 -19.704 1.00 0.00 O ATOM 559 CB VAL A 35 -1.832 -8.903 -21.216 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.740 -7.874 -21.516 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.603 -10.150 -22.072 1.00 0.00 C ATOM 0 H VAL A 35 -0.290 -10.739 -20.193 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.781 -8.382 -19.126 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.807 -8.475 -21.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.776 -7.603 -22.571 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.901 -6.984 -20.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.236 -8.301 -21.284 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.637 -9.878 -23.127 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.628 -10.577 -21.839 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.381 -10.884 -21.861 1.00 0.00 H new ATOM 571 N HIS A 36 -3.981 -9.546 -18.737 1.00 0.00 N ATOM 572 CA HIS A 36 -5.204 -10.316 -18.369 1.00 0.00 C ATOM 573 C HIS A 36 -6.417 -9.383 -18.383 1.00 0.00 C ATOM 574 O HIS A 36 -6.284 -8.176 -18.427 1.00 0.00 O ATOM 575 CB HIS A 36 -5.030 -10.909 -16.969 1.00 0.00 C ATOM 576 CG HIS A 36 -4.358 -12.251 -17.070 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.020 -13.433 -16.779 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.083 -12.612 -17.429 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.148 -14.442 -16.966 1.00 0.00 C ATOM 580 NE2 HIS A 36 -2.953 -13.996 -17.362 1.00 0.00 N ATOM 0 H HIS A 36 -3.979 -8.569 -18.444 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.358 -11.121 -19.087 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.434 -10.238 -16.350 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.000 -11.012 -16.484 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.300 -11.927 -17.719 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.386 -15.484 -16.814 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.123 -14.551 -17.571 1.00 0.00 H new ATOM 588 N GLU A 37 -7.600 -9.934 -18.346 1.00 0.00 N ATOM 589 CA GLU A 37 -8.823 -9.080 -18.356 1.00 0.00 C ATOM 590 C GLU A 37 -9.377 -8.967 -16.934 1.00 0.00 C ATOM 591 O GLU A 37 -9.197 -9.848 -16.117 1.00 0.00 O ATOM 592 CB GLU A 37 -9.879 -9.714 -19.264 1.00 0.00 C ATOM 593 CG GLU A 37 -10.257 -11.093 -18.721 1.00 0.00 C ATOM 594 CD GLU A 37 -11.715 -11.079 -18.263 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.573 -10.820 -19.089 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.950 -11.327 -17.091 1.00 0.00 O ATOM 0 H GLU A 37 -7.773 -10.939 -18.309 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.570 -8.087 -18.728 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.762 -9.076 -19.313 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.494 -9.804 -20.280 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.114 -11.851 -19.492 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.606 -11.359 -17.888 1.00 0.00 H new ATOM 603 N GLY A 38 -10.048 -7.888 -16.628 1.00 0.00 N ATOM 604 CA GLY A 38 -10.605 -7.727 -15.255 1.00 0.00 C ATOM 605 C GLY A 38 -11.660 -6.618 -15.249 1.00 0.00 C ATOM 606 O GLY A 38 -11.889 -5.962 -16.246 1.00 0.00 O ATOM 0 H GLY A 38 -10.233 -7.115 -17.267 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.048 -8.665 -14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.806 -7.485 -14.555 1.00 0.00 H new ATOM 610 N ILE A 39 -12.298 -6.400 -14.132 1.00 0.00 N ATOM 611 CA ILE A 39 -13.333 -5.330 -14.061 1.00 0.00 C ATOM 612 C ILE A 39 -12.686 -4.072 -13.481 1.00 0.00 C ATOM 613 O ILE A 39 -11.788 -4.148 -12.665 1.00 0.00 O ATOM 614 CB ILE A 39 -14.481 -5.785 -13.156 1.00 0.00 C ATOM 615 CG1 ILE A 39 -15.171 -7.001 -13.778 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.497 -4.650 -13.003 1.00 0.00 C ATOM 617 CD1 ILE A 39 -16.023 -7.701 -12.717 1.00 0.00 C ATOM 0 H ILE A 39 -12.147 -6.916 -13.265 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.729 -5.123 -15.055 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.083 -6.051 -12.177 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.796 -6.689 -14.615 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.427 -7.691 -14.176 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.313 -4.977 -12.358 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.009 -3.782 -12.559 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.893 -4.382 -13.982 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.515 -8.567 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.386 -8.026 -11.895 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.776 -7.009 -12.340 1.00 0.00 H new ATOM 629 N VAL A 40 -13.112 -2.913 -13.905 1.00 0.00 N ATOM 630 CA VAL A 40 -12.486 -1.665 -13.381 1.00 0.00 C ATOM 631 C VAL A 40 -13.351 -1.051 -12.279 1.00 0.00 C ATOM 632 O VAL A 40 -14.555 -0.981 -12.387 1.00 0.00 O ATOM 633 CB VAL A 40 -12.336 -0.655 -14.522 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.683 0.622 -13.992 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.458 -1.256 -15.623 1.00 0.00 C ATOM 0 H VAL A 40 -13.860 -2.776 -14.585 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.509 -1.912 -12.967 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.319 -0.419 -14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.576 1.341 -14.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.307 1.051 -13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.700 0.386 -13.585 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.351 -0.538 -16.436 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.475 -1.493 -15.216 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.922 -2.166 -16.002 1.00 0.00 H new ATOM 645 N TYR A 41 -12.741 -0.591 -11.222 1.00 0.00 N ATOM 646 CA TYR A 41 -13.529 0.034 -10.121 1.00 0.00 C ATOM 647 C TYR A 41 -13.026 1.461 -9.895 1.00 0.00 C ATOM 648 O TYR A 41 -11.893 1.784 -10.194 1.00 0.00 O ATOM 649 CB TYR A 41 -13.364 -0.777 -8.835 1.00 0.00 C ATOM 650 CG TYR A 41 -14.635 -0.691 -8.024 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.822 -1.245 -8.522 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.630 -0.058 -6.773 1.00 0.00 C ATOM 653 CE1 TYR A 41 -17.002 -1.166 -7.772 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.811 0.022 -6.022 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.997 -0.531 -6.522 1.00 0.00 C ATOM 656 OH TYR A 41 -18.161 -0.453 -5.784 1.00 0.00 O ATOM 0 H TYR A 41 -11.732 -0.620 -11.072 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.584 0.052 -10.395 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.141 -1.817 -9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.523 -0.395 -8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.827 -1.733 -9.485 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.716 0.368 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.916 -1.594 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.807 0.510 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.984 0.017 -4.943 1.00 0.00 H new ATOM 666 N PHE A 42 -13.858 2.320 -9.375 1.00 0.00 N ATOM 667 CA PHE A 42 -13.422 3.724 -9.137 1.00 0.00 C ATOM 668 C PHE A 42 -13.359 3.995 -7.632 1.00 0.00 C ATOM 669 O PHE A 42 -14.325 3.813 -6.918 1.00 0.00 O ATOM 670 CB PHE A 42 -14.416 4.685 -9.801 1.00 0.00 C ATOM 671 CG PHE A 42 -15.667 4.796 -8.959 1.00 0.00 C ATOM 672 CD1 PHE A 42 -16.590 3.742 -8.929 1.00 0.00 C ATOM 673 CD2 PHE A 42 -15.904 5.955 -8.208 1.00 0.00 C ATOM 674 CE1 PHE A 42 -17.749 3.847 -8.148 1.00 0.00 C ATOM 675 CE2 PHE A 42 -17.062 6.060 -7.427 1.00 0.00 C ATOM 676 CZ PHE A 42 -17.985 5.005 -7.397 1.00 0.00 C ATOM 0 H PHE A 42 -14.819 2.111 -9.105 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.432 3.877 -9.567 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.960 5.668 -9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.670 4.327 -10.799 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.408 2.849 -9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.193 6.768 -8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.460 3.035 -8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.244 6.953 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.878 5.086 -6.795 1.00 0.00 H new ATOM 727 N ILE A 46 -7.937 6.643 -8.151 1.00 0.00 N ATOM 728 CA ILE A 46 -7.305 5.695 -9.109 1.00 0.00 C ATOM 729 C ILE A 46 -8.345 4.659 -9.541 1.00 0.00 C ATOM 730 O ILE A 46 -9.535 4.900 -9.471 1.00 0.00 O ATOM 731 CB ILE A 46 -6.128 4.995 -8.428 1.00 0.00 C ATOM 732 CG1 ILE A 46 -6.623 4.265 -7.178 1.00 0.00 C ATOM 733 CG2 ILE A 46 -5.077 6.033 -8.028 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.980 2.879 -7.105 1.00 0.00 C ATOM 0 HA ILE A 46 -6.942 6.235 -9.984 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.685 4.277 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.374 4.840 -6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.709 4.172 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.239 5.533 -7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.723 6.554 -8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.520 6.752 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.334 2.360 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.251 2.305 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.896 2.983 -7.058 1.00 0.00 H new ATOM 746 N PHE A 47 -7.918 3.508 -9.984 1.00 0.00 N ATOM 747 CA PHE A 47 -8.901 2.476 -10.410 1.00 0.00 C ATOM 748 C PHE A 47 -8.608 1.164 -9.683 1.00 0.00 C ATOM 749 O PHE A 47 -7.613 1.031 -8.999 1.00 0.00 O ATOM 750 CB PHE A 47 -8.796 2.264 -11.921 1.00 0.00 C ATOM 751 CG PHE A 47 -9.316 3.489 -12.635 1.00 0.00 C ATOM 752 CD1 PHE A 47 -10.696 3.725 -12.709 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.419 4.392 -13.221 1.00 0.00 C ATOM 754 CE1 PHE A 47 -11.177 4.864 -13.367 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.901 5.529 -13.882 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.280 5.766 -13.955 1.00 0.00 C ATOM 0 H PHE A 47 -6.937 3.240 -10.069 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.909 2.808 -10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.760 2.078 -12.202 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.369 1.386 -12.217 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.388 3.029 -12.259 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.356 4.211 -13.163 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.240 5.047 -13.421 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.209 6.223 -14.336 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.651 6.643 -14.464 1.00 0.00 H new ATOM 766 N LYS A 48 -9.471 0.196 -9.817 1.00 0.00 N ATOM 767 CA LYS A 48 -9.244 -1.102 -9.126 1.00 0.00 C ATOM 768 C LYS A 48 -9.565 -2.255 -10.078 1.00 0.00 C ATOM 769 O LYS A 48 -10.644 -2.335 -10.629 1.00 0.00 O ATOM 770 CB LYS A 48 -10.154 -1.186 -7.899 1.00 0.00 C ATOM 771 CG LYS A 48 -9.485 -2.040 -6.820 1.00 0.00 C ATOM 772 CD LYS A 48 -9.607 -1.339 -5.466 1.00 0.00 C ATOM 773 CE LYS A 48 -8.361 -1.627 -4.627 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.522 -1.020 -3.275 1.00 0.00 N ATOM 0 H LYS A 48 -10.323 0.248 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.201 -1.171 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.354 -0.186 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.115 -1.619 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.954 -3.023 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.435 -2.199 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.721 -0.265 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.498 -1.687 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.209 -2.703 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.477 -1.220 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.675 -1.215 -2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.647 0.008 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.356 -1.429 -2.808 1.00 0.00 H new ATOM 788 N VAL A 49 -8.638 -3.152 -10.272 1.00 0.00 N ATOM 789 CA VAL A 49 -8.898 -4.299 -11.185 1.00 0.00 C ATOM 790 C VAL A 49 -9.305 -5.516 -10.356 1.00 0.00 C ATOM 791 O VAL A 49 -8.488 -6.136 -9.704 1.00 0.00 O ATOM 792 CB VAL A 49 -7.628 -4.628 -11.972 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.866 -5.874 -12.827 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.268 -3.450 -12.879 1.00 0.00 C ATOM 0 H VAL A 49 -7.715 -3.140 -9.839 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.697 -4.038 -11.879 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.809 -4.814 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.961 -6.109 -13.388 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.121 -6.715 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.685 -5.688 -13.521 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.363 -3.685 -13.439 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.087 -3.262 -13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.097 -2.562 -12.271 1.00 0.00 H new ATOM 804 N ARG A 50 -10.560 -5.862 -10.370 1.00 0.00 N ATOM 805 CA ARG A 50 -11.012 -7.038 -9.574 1.00 0.00 C ATOM 806 C ARG A 50 -11.189 -8.247 -10.495 1.00 0.00 C ATOM 807 O ARG A 50 -11.850 -8.174 -11.514 1.00 0.00 O ATOM 808 CB ARG A 50 -12.342 -6.716 -8.885 1.00 0.00 C ATOM 809 CG ARG A 50 -13.367 -6.259 -9.926 1.00 0.00 C ATOM 810 CD ARG A 50 -14.685 -5.920 -9.230 1.00 0.00 C ATOM 811 NE ARG A 50 -15.404 -7.180 -8.888 1.00 0.00 N ATOM 812 CZ ARG A 50 -15.102 -7.824 -7.795 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.119 -7.204 -6.647 1.00 0.00 N ATOM 814 NH2 ARG A 50 -14.787 -9.089 -7.849 1.00 0.00 N ATOM 0 H ARG A 50 -11.292 -5.384 -10.896 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.262 -7.269 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.712 -7.596 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.196 -5.936 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.992 -5.387 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.525 -7.044 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.493 -5.341 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.303 -5.301 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.131 -7.538 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.368 -6.216 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.883 -7.707 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.777 -9.574 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.551 -9.593 -6.994 1.00 0.00 H new ATOM 828 N LEU A 51 -10.603 -9.360 -10.144 1.00 0.00 N ATOM 829 CA LEU A 51 -10.733 -10.576 -10.997 1.00 0.00 C ATOM 830 C LEU A 51 -12.033 -11.303 -10.649 1.00 0.00 C ATOM 831 O LEU A 51 -12.050 -12.215 -9.845 1.00 0.00 O ATOM 832 CB LEU A 51 -9.545 -11.506 -10.743 1.00 0.00 C ATOM 833 CG LEU A 51 -8.418 -11.173 -11.722 1.00 0.00 C ATOM 834 CD1 LEU A 51 -8.802 -11.646 -13.125 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.189 -9.660 -11.738 1.00 0.00 C ATOM 0 H LEU A 51 -10.039 -9.480 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.748 -10.285 -12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.195 -11.394 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.851 -12.545 -10.864 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.504 -11.677 -11.408 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.998 -11.408 -13.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.965 -12.724 -13.114 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.716 -11.144 -13.441 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.386 -9.421 -12.435 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.104 -9.157 -12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.914 -9.323 -10.739 1.00 0.00 H new ATOM 847 N LEU A 52 -13.124 -10.908 -11.247 1.00 0.00 N ATOM 848 CA LEU A 52 -14.420 -11.578 -10.950 1.00 0.00 C ATOM 849 C LEU A 52 -14.345 -13.046 -11.371 1.00 0.00 C ATOM 850 O LEU A 52 -13.653 -13.400 -12.306 1.00 0.00 O ATOM 851 CB LEU A 52 -15.543 -10.881 -11.721 1.00 0.00 C ATOM 852 CG LEU A 52 -16.893 -11.449 -11.280 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.849 -10.299 -10.954 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.482 -12.295 -12.411 1.00 0.00 C ATOM 0 H LEU A 52 -13.173 -10.150 -11.928 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.623 -11.518 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.511 -9.807 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.408 -11.027 -12.793 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.755 -12.069 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.811 -10.704 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.430 -9.694 -10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.988 -9.679 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.444 -12.701 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.620 -11.674 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.802 -13.114 -12.645 1.00 0.00 H new ATOM 866 N GLY A 53 -15.051 -13.906 -10.688 1.00 0.00 N ATOM 867 CA GLY A 53 -15.019 -15.352 -11.049 1.00 0.00 C ATOM 868 C GLY A 53 -14.082 -16.098 -10.095 1.00 0.00 C ATOM 869 O GLY A 53 -14.466 -17.059 -9.458 1.00 0.00 O ATOM 0 H GLY A 53 -15.648 -13.670 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.023 -15.774 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.679 -15.473 -12.078 1.00 0.00 H new ATOM 873 N TYR A 54 -12.856 -15.663 -9.991 1.00 0.00 N ATOM 874 CA TYR A 54 -11.898 -16.349 -9.078 1.00 0.00 C ATOM 875 C TYR A 54 -12.222 -15.983 -7.629 1.00 0.00 C ATOM 876 O TYR A 54 -11.959 -16.737 -6.714 1.00 0.00 O ATOM 877 CB TYR A 54 -10.470 -15.906 -9.408 1.00 0.00 C ATOM 878 CG TYR A 54 -9.594 -17.122 -9.592 1.00 0.00 C ATOM 879 CD1 TYR A 54 -10.067 -18.223 -10.320 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.308 -17.150 -9.036 1.00 0.00 C ATOM 881 CE1 TYR A 54 -9.254 -19.351 -10.492 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.495 -18.279 -9.208 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.967 -19.378 -9.936 1.00 0.00 C ATOM 884 OH TYR A 54 -7.166 -20.488 -10.107 1.00 0.00 O ATOM 0 H TYR A 54 -12.477 -14.863 -10.498 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.983 -17.428 -9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.466 -15.302 -10.315 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.078 -15.280 -8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.058 -18.202 -10.748 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.943 -16.302 -8.475 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -9.618 -20.199 -11.052 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.504 -18.301 -8.779 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.306 -20.343 -9.660 1.00 0.00 H new ATOM 894 N GLU A 55 -12.791 -14.829 -7.412 1.00 0.00 N ATOM 895 CA GLU A 55 -13.131 -14.416 -6.021 1.00 0.00 C ATOM 896 C GLU A 55 -11.915 -14.630 -5.117 1.00 0.00 C ATOM 897 O GLU A 55 -11.684 -15.712 -4.615 1.00 0.00 O ATOM 898 CB GLU A 55 -14.304 -15.254 -5.512 1.00 0.00 C ATOM 899 CG GLU A 55 -15.374 -15.347 -6.603 1.00 0.00 C ATOM 900 CD GLU A 55 -16.511 -16.255 -6.127 1.00 0.00 C ATOM 901 OE1 GLU A 55 -17.226 -15.852 -5.227 1.00 0.00 O ATOM 902 OE2 GLU A 55 -16.645 -17.337 -6.674 1.00 0.00 O ATOM 0 H GLU A 55 -13.035 -14.155 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.410 -13.362 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.961 -16.252 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.724 -14.803 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.760 -14.354 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.939 -15.742 -7.521 1.00 0.00 H new ATOM 909 N GLY A 56 -11.134 -13.605 -4.908 1.00 0.00 N ATOM 910 CA GLY A 56 -9.931 -13.746 -4.040 1.00 0.00 C ATOM 911 C GLY A 56 -8.761 -12.989 -4.667 1.00 0.00 C ATOM 912 O GLY A 56 -7.782 -12.686 -4.013 1.00 0.00 O ATOM 0 H GLY A 56 -11.278 -12.675 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.140 -13.355 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.676 -14.799 -3.922 1.00 0.00 H new ATOM 916 N HIS A 57 -8.852 -12.678 -5.932 1.00 0.00 N ATOM 917 CA HIS A 57 -7.744 -11.940 -6.600 1.00 0.00 C ATOM 918 C HIS A 57 -8.111 -10.459 -6.713 1.00 0.00 C ATOM 919 O HIS A 57 -8.742 -10.036 -7.664 1.00 0.00 O ATOM 920 CB HIS A 57 -7.519 -12.516 -7.999 1.00 0.00 C ATOM 921 CG HIS A 57 -6.325 -13.428 -7.981 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.037 -14.289 -9.029 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.336 -13.628 -7.050 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.917 -14.960 -8.706 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.448 -14.596 -7.510 1.00 0.00 N ATOM 0 H HIS A 57 -9.646 -12.904 -6.531 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.832 -12.045 -6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.403 -13.064 -8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.363 -11.709 -8.715 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.259 -13.112 -6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.453 -15.703 -9.338 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.618 -14.951 -7.036 1.00 0.00 H new ATOM 933 N GLU A 58 -7.718 -9.665 -5.755 1.00 0.00 N ATOM 934 CA GLU A 58 -8.042 -8.212 -5.814 1.00 0.00 C ATOM 935 C GLU A 58 -6.801 -7.434 -6.251 1.00 0.00 C ATOM 936 O GLU A 58 -5.843 -7.308 -5.512 1.00 0.00 O ATOM 937 CB GLU A 58 -8.487 -7.727 -4.432 1.00 0.00 C ATOM 938 CG GLU A 58 -8.940 -6.270 -4.528 1.00 0.00 C ATOM 939 CD GLU A 58 -10.266 -6.098 -3.785 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.951 -7.090 -3.598 1.00 0.00 O ATOM 941 OE2 GLU A 58 -10.575 -4.977 -3.416 1.00 0.00 O ATOM 0 H GLU A 58 -7.187 -9.959 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.848 -8.049 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.301 -8.349 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.666 -7.818 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.183 -5.614 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.056 -5.982 -5.573 1.00 0.00 H new ATOM 948 N CYS A 59 -6.806 -6.914 -7.446 1.00 0.00 N ATOM 949 CA CYS A 59 -5.623 -6.148 -7.930 1.00 0.00 C ATOM 950 C CYS A 59 -5.957 -4.655 -7.957 1.00 0.00 C ATOM 951 O CYS A 59 -7.072 -4.262 -8.234 1.00 0.00 O ATOM 952 CB CYS A 59 -5.256 -6.614 -9.341 1.00 0.00 C ATOM 953 SG CYS A 59 -5.484 -8.405 -9.466 1.00 0.00 S ATOM 0 H CYS A 59 -7.578 -6.986 -8.109 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.781 -6.319 -7.260 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.879 -6.106 -10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.222 -6.352 -9.564 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.174 -8.799 -10.665 1.00 0.00 H new ATOM 959 N ILE A 60 -4.994 -3.821 -7.676 1.00 0.00 N ATOM 960 CA ILE A 60 -5.250 -2.353 -7.692 1.00 0.00 C ATOM 961 C ILE A 60 -4.746 -1.774 -9.015 1.00 0.00 C ATOM 962 O ILE A 60 -3.673 -2.109 -9.479 1.00 0.00 O ATOM 963 CB ILE A 60 -4.513 -1.689 -6.526 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.023 -2.028 -6.605 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.084 -2.204 -5.202 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.279 -1.315 -5.475 1.00 0.00 C ATOM 0 H ILE A 60 -4.041 -4.093 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.319 -2.165 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.643 -0.608 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.879 -3.106 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.620 -1.722 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.560 -1.732 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.145 -1.963 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.954 -3.285 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.217 -1.556 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.413 -0.238 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.676 -1.643 -4.514 1.00 0.00 H new ATOM 978 N LEU A 61 -5.512 -0.917 -9.632 1.00 0.00 N ATOM 979 CA LEU A 61 -5.075 -0.334 -10.932 1.00 0.00 C ATOM 980 C LEU A 61 -4.467 1.052 -10.711 1.00 0.00 C ATOM 981 O LEU A 61 -5.162 2.013 -10.433 1.00 0.00 O ATOM 982 CB LEU A 61 -6.279 -0.219 -11.869 1.00 0.00 C ATOM 983 CG LEU A 61 -5.831 0.371 -13.207 1.00 0.00 C ATOM 984 CD1 LEU A 61 -5.062 -0.685 -14.003 1.00 0.00 C ATOM 985 CD2 LEU A 61 -7.060 0.813 -14.006 1.00 0.00 C ATOM 0 H LEU A 61 -6.419 -0.596 -9.294 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.322 -0.984 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.727 -1.200 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.044 0.413 -11.419 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.185 1.229 -13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.744 -0.262 -14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.186 -1.002 -13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.707 -1.545 -14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.742 1.234 -14.960 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.706 -0.047 -14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.609 1.567 -13.442 1.00 0.00 H new ATOM 997 N LEU A 62 -3.173 1.162 -10.846 1.00 0.00 N ATOM 998 CA LEU A 62 -2.507 2.480 -10.662 1.00 0.00 C ATOM 999 C LEU A 62 -2.155 3.058 -12.034 1.00 0.00 C ATOM 1000 O LEU A 62 -1.517 4.086 -12.139 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.222 2.300 -9.847 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.404 1.170 -8.831 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -0.039 0.750 -8.287 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -2.283 1.657 -7.676 1.00 0.00 C ATOM 0 H LEU A 62 -2.547 0.391 -11.077 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.179 3.156 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.388 2.073 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.975 3.228 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.881 0.319 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.168 -0.055 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.589 0.403 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.437 1.602 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.412 0.852 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.806 2.508 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.257 1.958 -8.062 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.844 3.341 -15.902 1.00 0.00 N ATOM 1325 CA VAL A 80 -16.119 2.522 -14.892 1.00 0.00 C ATOM 1326 C VAL A 80 -16.815 1.170 -14.744 1.00 0.00 C ATOM 1327 O VAL A 80 -17.929 0.977 -15.189 1.00 0.00 O ATOM 1328 CB VAL A 80 -16.105 3.256 -13.545 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -17.459 3.925 -13.308 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -15.821 2.267 -12.409 1.00 0.00 C ATOM 0 HA VAL A 80 -15.091 2.364 -15.219 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.322 4.014 -13.565 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.445 4.445 -12.350 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.656 4.640 -14.107 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.242 3.167 -13.298 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.813 2.798 -11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.597 1.501 -12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.851 1.797 -12.570 1.00 0.00 H new ATOM 1340 N GLY A 81 -16.162 0.232 -14.125 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.780 -1.113 -13.954 1.00 0.00 C ATOM 1342 C GLY A 81 -16.485 -1.965 -15.189 1.00 0.00 C ATOM 1343 O GLY A 81 -16.078 -3.106 -15.082 1.00 0.00 O ATOM 0 H GLY A 81 -15.228 0.335 -13.729 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.384 -1.597 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.857 -1.016 -13.813 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.693 -1.409 -16.358 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.442 -2.165 -17.623 1.00 0.00 C ATOM 1349 C ARG A 82 -15.211 -3.066 -17.480 1.00 0.00 C ATOM 1350 O ARG A 82 -14.384 -2.878 -16.610 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.210 -1.172 -18.765 1.00 0.00 C ATOM 1352 CG ARG A 82 -17.073 -1.563 -19.965 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.174 -2.043 -21.105 1.00 0.00 C ATOM 1354 NE ARG A 82 -15.586 -0.866 -21.801 1.00 0.00 N ATOM 1355 CZ ARG A 82 -15.017 -1.012 -22.967 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -14.779 -2.207 -23.434 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -14.688 0.040 -23.666 1.00 0.00 N ATOM 0 H ARG A 82 -17.029 -0.455 -16.490 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.310 -2.789 -17.836 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.458 -0.162 -18.439 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.157 -1.166 -19.047 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.772 -2.350 -19.683 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.668 -0.710 -20.292 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.382 -2.681 -20.714 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.750 -2.645 -21.808 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.628 0.056 -21.366 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.038 -3.029 -22.888 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.334 -2.319 -24.345 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.875 0.974 -23.301 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.243 -0.072 -24.577 1.00 0.00 H new ATOM 1371 N VAL A 83 -15.081 -4.040 -18.340 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.908 -4.953 -18.259 1.00 0.00 C ATOM 1373 C VAL A 83 -12.843 -4.481 -19.245 1.00 0.00 C ATOM 1374 O VAL A 83 -13.138 -4.113 -20.366 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.341 -6.375 -18.621 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -13.128 -7.307 -18.575 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.390 -6.858 -17.619 1.00 0.00 C ATOM 0 H VAL A 83 -15.737 -4.242 -19.095 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.505 -4.946 -17.246 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.765 -6.380 -19.625 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.437 -8.320 -18.833 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.378 -6.964 -19.288 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.703 -7.302 -17.571 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.699 -7.871 -17.876 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.965 -6.852 -16.615 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.255 -6.196 -17.650 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.608 -4.471 -18.832 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.527 -4.004 -19.738 1.00 0.00 C ATOM 1389 C ILE A 84 -9.302 -4.909 -19.596 1.00 0.00 C ATOM 1390 O ILE A 84 -9.264 -5.795 -18.764 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.151 -2.573 -19.355 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -10.016 -2.480 -17.833 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.250 -1.615 -19.822 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -8.784 -3.264 -17.379 1.00 0.00 C ATOM 0 H ILE A 84 -11.301 -4.766 -17.905 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.873 -4.037 -20.771 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.207 -2.304 -19.828 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.929 -1.437 -17.529 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.910 -2.878 -17.353 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.983 -0.594 -19.549 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.358 -1.685 -20.904 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -12.193 -1.883 -19.345 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.689 -3.197 -16.295 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.890 -4.309 -17.670 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.893 -2.846 -17.848 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.300 -4.691 -20.402 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.074 -5.529 -20.318 1.00 0.00 C ATOM 1408 C LYS A 85 -5.942 -4.704 -19.704 1.00 0.00 C ATOM 1409 O LYS A 85 -5.799 -3.530 -19.979 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.670 -5.984 -21.721 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.600 -4.770 -22.650 1.00 0.00 C ATOM 1412 CD LYS A 85 -5.522 -4.999 -23.712 1.00 0.00 C ATOM 1413 CE LYS A 85 -4.450 -3.914 -23.593 1.00 0.00 C ATOM 1414 NZ LYS A 85 -3.102 -4.525 -23.772 1.00 0.00 N ATOM 0 H LYS A 85 -8.279 -3.965 -21.118 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.269 -6.403 -19.697 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.703 -6.486 -21.688 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.392 -6.706 -22.103 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.567 -4.608 -23.127 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.374 -3.872 -22.075 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.073 -5.984 -23.584 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.967 -4.978 -24.707 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.614 -3.142 -24.345 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.515 -3.429 -22.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.373 -3.788 -23.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.948 -5.246 -23.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.044 -4.968 -24.711 1.00 0.00 H new ATOM 1428 N THR A 86 -5.137 -5.306 -18.873 1.00 0.00 N ATOM 1429 CA THR A 86 -4.018 -4.551 -18.245 1.00 0.00 C ATOM 1430 C THR A 86 -2.869 -5.514 -17.934 1.00 0.00 C ATOM 1431 O THR A 86 -2.983 -6.710 -18.116 1.00 0.00 O ATOM 1432 CB THR A 86 -4.505 -3.899 -16.949 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.211 -4.858 -16.173 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.431 -2.729 -17.282 1.00 0.00 C ATOM 0 H THR A 86 -5.206 -6.287 -18.602 1.00 0.00 H new ATOM 0 HA THR A 86 -3.670 -3.777 -18.929 1.00 0.00 H new ATOM 0 HB THR A 86 -3.649 -3.533 -16.383 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.695 -4.403 -15.452 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.778 -2.265 -16.359 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.889 -1.994 -17.876 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.288 -3.093 -17.849 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.765 -5.003 -17.465 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.615 -5.892 -17.143 1.00 0.00 C ATOM 1444 C ARG A 87 -0.602 -6.176 -15.640 1.00 0.00 C ATOM 1445 O ARG A 87 -1.159 -5.434 -14.855 1.00 0.00 O ATOM 1446 CB ARG A 87 0.693 -5.205 -17.544 1.00 0.00 C ATOM 1447 CG ARG A 87 0.471 -4.383 -18.815 1.00 0.00 C ATOM 1448 CD ARG A 87 0.027 -5.308 -19.951 1.00 0.00 C ATOM 1449 NE ARG A 87 1.213 -5.691 -20.767 1.00 0.00 N ATOM 1450 CZ ARG A 87 2.033 -4.772 -21.197 1.00 0.00 C ATOM 1451 NH1 ARG A 87 1.564 -3.685 -21.749 1.00 0.00 N ATOM 1452 NH2 ARG A 87 3.321 -4.938 -21.076 1.00 0.00 N ATOM 0 H ARG A 87 -1.610 -4.010 -17.291 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.713 -6.828 -17.692 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.039 -4.559 -16.737 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.471 -5.950 -17.712 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.285 -3.618 -18.638 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.390 -3.866 -19.091 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.452 -6.199 -19.544 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.712 -4.806 -20.576 1.00 0.00 H new ATOM 0 HE ARG A 87 1.384 -6.672 -20.989 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.557 -3.555 -21.844 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.205 -2.966 -22.085 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.688 -5.787 -20.645 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.962 -4.219 -21.412 1.00 0.00 H new ATOM 1466 N VAL A 88 0.027 -7.244 -15.233 1.00 0.00 N ATOM 1467 CA VAL A 88 0.069 -7.571 -13.780 1.00 0.00 C ATOM 1468 C VAL A 88 1.395 -7.094 -13.189 1.00 0.00 C ATOM 1469 O VAL A 88 2.446 -7.634 -13.473 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.059 -9.084 -13.589 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.371 -9.386 -12.122 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.193 -9.615 -14.471 1.00 0.00 C ATOM 0 H VAL A 88 0.512 -7.903 -15.842 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.757 -7.072 -13.273 1.00 0.00 H new ATOM 0 HB VAL A 88 0.877 -9.567 -13.870 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.463 -10.463 -11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.434 -9.007 -11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.308 -8.903 -11.842 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.285 -10.693 -14.336 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.129 -9.133 -14.190 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.973 -9.398 -15.516 1.00 0.00 H new ATOM 1482 N VAL A 89 1.351 -6.079 -12.370 1.00 0.00 N ATOM 1483 CA VAL A 89 2.605 -5.559 -11.760 1.00 0.00 C ATOM 1484 C VAL A 89 3.235 -6.638 -10.877 1.00 0.00 C ATOM 1485 O VAL A 89 4.440 -6.765 -10.800 1.00 0.00 O ATOM 1486 CB VAL A 89 2.278 -4.329 -10.911 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.452 -4.007 -9.982 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.016 -3.134 -11.828 1.00 0.00 C ATOM 0 H VAL A 89 0.500 -5.588 -12.097 1.00 0.00 H new ATOM 0 HA VAL A 89 3.308 -5.286 -12.547 1.00 0.00 H new ATOM 0 HB VAL A 89 1.392 -4.535 -10.311 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.211 -3.130 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.640 -4.856 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.342 -3.805 -10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.783 -2.257 -11.225 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.903 -2.935 -12.429 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.175 -3.357 -12.485 1.00 0.00 H new ATOM 1498 N ARG A 90 2.429 -7.414 -10.207 1.00 0.00 N ATOM 1499 CA ARG A 90 2.983 -8.478 -9.327 1.00 0.00 C ATOM 1500 C ARG A 90 1.863 -9.052 -8.459 1.00 0.00 C ATOM 1501 O ARG A 90 1.396 -8.422 -7.530 1.00 0.00 O ATOM 1502 CB ARG A 90 4.069 -7.882 -8.428 1.00 0.00 C ATOM 1503 CG ARG A 90 5.422 -8.502 -8.781 1.00 0.00 C ATOM 1504 CD ARG A 90 6.359 -8.401 -7.575 1.00 0.00 C ATOM 1505 NE ARG A 90 7.001 -9.723 -7.331 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.075 -10.198 -6.118 1.00 0.00 C ATOM 1507 NH1 ARG A 90 8.046 -9.828 -5.328 1.00 0.00 N ATOM 1508 NH2 ARG A 90 6.176 -11.043 -5.692 1.00 0.00 N ATOM 0 H ARG A 90 1.411 -7.357 -10.231 1.00 0.00 H new ATOM 0 HA ARG A 90 3.413 -9.270 -9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.108 -6.800 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.833 -8.071 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.292 -9.546 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.858 -7.988 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.121 -7.643 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.801 -8.088 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 90 7.383 -10.257 -8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.748 -9.166 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.102 -10.200 -4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.416 -11.332 -6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.234 -11.414 -4.744 1.00 0.00 H new ATOM 1522 N ALA A 91 1.429 -10.245 -8.758 1.00 0.00 N ATOM 1523 CA ALA A 91 0.341 -10.868 -7.953 1.00 0.00 C ATOM 1524 C ALA A 91 0.960 -11.699 -6.826 1.00 0.00 C ATOM 1525 O ALA A 91 1.667 -12.657 -7.066 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.503 -11.774 -8.851 1.00 0.00 C ATOM 0 H ALA A 91 1.781 -10.816 -9.526 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.292 -10.089 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.299 -12.230 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.940 -11.183 -9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.128 -12.555 -9.275 1.00 0.00 H new ATOM 1532 N ASP A 92 0.703 -11.337 -5.599 1.00 0.00 N ATOM 1533 CA ASP A 92 1.280 -12.105 -4.459 1.00 0.00 C ATOM 1534 C ASP A 92 0.203 -12.995 -3.842 1.00 0.00 C ATOM 1535 O ASP A 92 0.305 -14.205 -3.844 1.00 0.00 O ATOM 1536 CB ASP A 92 1.806 -11.130 -3.404 1.00 0.00 C ATOM 1537 CG ASP A 92 2.914 -10.269 -4.012 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.163 -10.409 -5.199 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.494 -9.483 -3.282 1.00 0.00 O ATOM 0 H ASP A 92 0.119 -10.543 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 92 2.099 -12.728 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.996 -10.497 -3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.189 -11.680 -2.544 1.00 0.00 H new ATOM 1544 N GLY A 93 -0.828 -12.404 -3.312 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.916 -13.212 -2.690 1.00 0.00 C ATOM 1546 C GLY A 93 -3.260 -12.516 -2.910 1.00 0.00 C ATOM 1547 O GLY A 93 -3.717 -12.366 -4.026 1.00 0.00 O ATOM 0 H GLY A 93 -0.967 -11.394 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.936 -14.211 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.728 -13.334 -1.623 1.00 0.00 H new ATOM 1551 N LEU A 94 -3.897 -12.092 -1.854 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.212 -11.407 -2.001 1.00 0.00 C ATOM 1553 C LEU A 94 -4.995 -10.004 -2.568 1.00 0.00 C ATOM 1554 O LEU A 94 -5.877 -9.421 -3.168 1.00 0.00 O ATOM 1555 CB LEU A 94 -5.890 -11.304 -0.632 1.00 0.00 C ATOM 1556 CG LEU A 94 -6.663 -12.592 -0.346 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -5.923 -13.406 0.718 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.063 -12.245 0.164 1.00 0.00 C ATOM 0 H LEU A 94 -3.564 -12.190 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.846 -11.979 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.143 -11.136 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.567 -10.450 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.743 -13.177 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.474 -14.324 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.925 -13.654 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.843 -12.820 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.614 -13.163 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.982 -11.660 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.592 -11.665 -0.592 1.00 0.00 H new ATOM 1570 N TYR A 95 -3.825 -9.452 -2.383 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.555 -8.087 -2.914 1.00 0.00 C ATOM 1572 C TYR A 95 -2.556 -8.176 -4.069 1.00 0.00 C ATOM 1573 O TYR A 95 -1.510 -8.782 -3.952 1.00 0.00 O ATOM 1574 CB TYR A 95 -2.973 -7.213 -1.802 1.00 0.00 C ATOM 1575 CG TYR A 95 -3.804 -5.962 -1.656 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.162 -6.059 -1.317 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.222 -4.705 -1.862 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.935 -4.897 -1.182 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -3.994 -3.544 -1.727 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.351 -3.640 -1.388 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.112 -2.497 -1.256 1.00 0.00 O ATOM 0 H TYR A 95 -3.047 -9.888 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.485 -7.647 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.959 -7.764 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.941 -6.951 -2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.612 -7.028 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.177 -4.631 -2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.980 -4.971 -0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.544 -2.575 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.554 -1.711 -1.431 1.00 0.00 H new ATOM 1591 N VAL A 96 -2.871 -7.576 -5.183 1.00 0.00 N ATOM 1592 CA VAL A 96 -1.943 -7.627 -6.346 1.00 0.00 C ATOM 1593 C VAL A 96 -1.750 -6.218 -6.906 1.00 0.00 C ATOM 1594 O VAL A 96 -2.567 -5.344 -6.705 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.543 -8.517 -7.436 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.632 -8.509 -8.664 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.681 -9.949 -6.912 1.00 0.00 C ATOM 0 H VAL A 96 -3.732 -7.052 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.983 -8.031 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.526 -8.136 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.061 -9.144 -9.439 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.537 -7.490 -9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.647 -8.887 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.109 -10.581 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.699 -10.331 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.334 -9.956 -6.039 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.680 -5.992 -7.616 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.448 -4.641 -8.201 1.00 0.00 C ATOM 1609 C ASP A 97 -0.833 -4.677 -9.683 1.00 0.00 C ATOM 1610 O ASP A 97 -0.633 -5.668 -10.355 1.00 0.00 O ATOM 1611 CB ASP A 97 1.029 -4.266 -8.054 1.00 0.00 C ATOM 1612 CG ASP A 97 1.387 -4.165 -6.571 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.608 -4.640 -5.759 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.433 -3.615 -6.270 1.00 0.00 O ATOM 0 H ASP A 97 0.043 -6.683 -7.817 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.053 -3.898 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.655 -5.015 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.225 -3.316 -8.551 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.401 -3.618 -10.200 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.809 -3.630 -11.636 1.00 0.00 C ATOM 1621 C LEU A 98 -1.291 -2.382 -12.355 1.00 0.00 C ATOM 1622 O LEU A 98 -1.374 -1.278 -11.851 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.337 -3.656 -11.721 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.791 -4.813 -12.615 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.426 -4.509 -14.068 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.097 -6.105 -12.174 1.00 0.00 C ATOM 0 H LEU A 98 -1.598 -2.754 -9.696 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.386 -4.513 -12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.763 -3.767 -10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.704 -2.711 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.871 -4.934 -12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.749 -5.333 -14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.922 -3.591 -14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.346 -4.386 -14.154 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.421 -6.928 -12.811 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.017 -5.985 -12.258 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.358 -6.323 -11.139 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.776 -2.550 -13.546 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.271 -1.382 -14.321 1.00 0.00 C ATOM 1640 C ARG A 99 -0.937 -1.376 -15.698 1.00 0.00 C ATOM 1641 O ARG A 99 -0.808 -2.312 -16.463 1.00 0.00 O ATOM 1642 CB ARG A 99 1.249 -1.482 -14.490 1.00 0.00 C ATOM 1643 CG ARG A 99 1.594 -2.714 -15.330 1.00 0.00 C ATOM 1644 CD ARG A 99 3.107 -2.942 -15.306 1.00 0.00 C ATOM 1645 NE ARG A 99 3.593 -3.208 -16.690 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.783 -2.813 -17.052 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.014 -1.547 -17.267 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.744 -3.685 -17.199 1.00 0.00 N ATOM 0 H ARG A 99 -0.684 -3.451 -14.015 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.508 -0.462 -13.787 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.631 -0.582 -14.972 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.730 -1.549 -13.514 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.077 -3.590 -14.938 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.253 -2.575 -16.356 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.611 -2.067 -14.894 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.348 -3.784 -14.657 1.00 0.00 H new ATOM 0 HE ARG A 99 2.995 -3.699 -17.355 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.264 -0.865 -17.152 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.944 -1.239 -17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.565 -4.675 -17.031 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.674 -3.376 -17.482 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.659 -0.338 -16.021 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.337 -0.287 -17.347 1.00 0.00 C ATOM 1664 C ARG A 100 -1.313 0.038 -18.438 1.00 0.00 C ATOM 1665 O ARG A 100 -0.558 0.983 -18.334 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.422 0.792 -17.326 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.483 0.471 -18.382 1.00 0.00 C ATOM 1668 CD ARG A 100 -5.875 0.549 -17.751 1.00 0.00 C ATOM 1669 NE ARG A 100 -6.895 0.081 -18.734 1.00 0.00 N ATOM 1670 CZ ARG A 100 -7.989 0.769 -18.917 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -8.726 1.112 -17.896 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -8.349 1.113 -20.124 1.00 0.00 N ATOM 0 H ARG A 100 -1.809 0.476 -15.425 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.792 -1.255 -17.556 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.880 0.842 -16.338 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.982 1.769 -17.523 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.409 1.174 -19.212 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.314 -0.525 -18.791 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.913 -0.065 -16.851 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.091 1.573 -17.447 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.737 -0.777 -19.263 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.447 0.842 -16.953 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.580 1.650 -18.042 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.775 0.844 -20.923 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.204 1.651 -20.267 1.00 0.00 H new