USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0585) USER MOD Single : A 61 THR OG1 : rot -127:sc= 1.1 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 14:sc= -2.79! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc=0.000995 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.345 X(o=-0.34,f=0) USER MOD Single : A 92 CYS SG : rot 130:sc= -0.312 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-4!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.618 -6.329 8.971 1.00 0.00 N ATOM 522 CA LEU A 39 8.916 -5.064 9.154 1.00 0.00 C ATOM 523 C LEU A 39 7.848 -5.186 10.237 1.00 0.00 C ATOM 524 O LEU A 39 7.284 -6.259 10.448 1.00 0.00 O ATOM 525 CB LEU A 39 8.274 -4.617 7.839 1.00 0.00 C ATOM 526 CG LEU A 39 9.240 -4.483 6.660 1.00 0.00 C ATOM 527 CD1 LEU A 39 8.539 -4.828 5.355 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.816 -3.077 6.602 1.00 0.00 C ATOM 0 HA LEU A 39 9.644 -4.316 9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.495 -5.331 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.785 -3.656 7.999 1.00 0.00 H new ATOM 0 HG LEU A 39 10.061 -5.185 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.241 -4.727 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.174 -5.854 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.699 -4.150 5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.501 -2.999 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.007 -2.357 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.354 -2.866 7.526 1.00 0.00 H new ATOM 540 N LYS A 40 7.577 -4.079 10.920 1.00 0.00 N ATOM 541 CA LYS A 40 6.578 -4.062 11.982 1.00 0.00 C ATOM 542 C LYS A 40 5.569 -2.939 11.761 1.00 0.00 C ATOM 543 O LYS A 40 5.708 -2.141 10.835 1.00 0.00 O ATOM 544 CB LYS A 40 7.252 -3.899 13.345 1.00 0.00 C ATOM 545 CG LYS A 40 8.091 -2.636 13.460 1.00 0.00 C ATOM 546 CD LYS A 40 8.189 -2.162 14.902 1.00 0.00 C ATOM 547 CE LYS A 40 9.576 -1.626 15.218 1.00 0.00 C ATOM 548 NZ LYS A 40 9.528 -0.512 16.204 1.00 0.00 N ATOM 0 H LYS A 40 8.035 -3.182 10.757 1.00 0.00 H new ATOM 0 HA LYS A 40 6.046 -5.013 11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.487 -3.889 14.121 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.886 -4.765 13.534 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.091 -2.825 13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.652 -1.849 12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.447 -1.384 15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.955 -2.987 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.196 -2.432 15.610 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.049 -1.278 14.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.493 -0.174 16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.957 0.268 15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.100 -0.850 17.089 1.00 0.00 H new ATOM 562 N ILE A 41 4.555 -2.885 12.618 1.00 0.00 N ATOM 563 CA ILE A 41 3.524 -1.860 12.517 1.00 0.00 C ATOM 564 C ILE A 41 3.970 -0.563 13.183 1.00 0.00 C ATOM 565 O ILE A 41 4.142 -0.507 14.401 1.00 0.00 O ATOM 566 CB ILE A 41 2.202 -2.325 13.158 1.00 0.00 C ATOM 567 CG1 ILE A 41 1.840 -3.730 12.674 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.084 -1.343 12.839 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.714 -3.837 11.170 1.00 0.00 C ATOM 0 H ILE A 41 4.426 -3.539 13.390 1.00 0.00 H new ATOM 0 HA ILE A 41 3.360 -1.682 11.454 1.00 0.00 H new ATOM 0 HB ILE A 41 2.332 -2.358 14.240 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.601 -4.431 13.018 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.898 -4.032 13.132 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.157 -1.685 13.299 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.341 -0.359 13.231 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.952 -1.280 11.759 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.456 -4.861 10.898 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.933 -3.161 10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.662 -3.567 10.705 1.00 0.00 H new ATOM 581 N GLY A 42 4.156 0.477 12.378 1.00 0.00 N ATOM 582 CA GLY A 42 4.580 1.759 12.909 1.00 0.00 C ATOM 583 C GLY A 42 5.619 2.434 12.035 1.00 0.00 C ATOM 584 O GLY A 42 5.628 3.658 11.903 1.00 0.00 O ATOM 0 H GLY A 42 4.021 0.455 11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.713 2.412 13.008 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.988 1.617 13.910 1.00 0.00 H new ATOM 588 N ASP A 43 6.496 1.635 11.437 1.00 0.00 N ATOM 589 CA ASP A 43 7.544 2.161 10.571 1.00 0.00 C ATOM 590 C ASP A 43 6.951 2.759 9.299 1.00 0.00 C ATOM 591 O ASP A 43 5.837 2.416 8.901 1.00 0.00 O ATOM 592 CB ASP A 43 8.542 1.059 10.213 1.00 0.00 C ATOM 593 CG ASP A 43 9.134 0.394 11.440 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.550 1.121 12.366 1.00 0.00 O ATOM 595 OD2 ASP A 43 9.182 -0.853 11.474 1.00 0.00 O ATOM 0 H ASP A 43 6.502 0.620 11.536 1.00 0.00 H new ATOM 0 HA ASP A 43 8.065 2.950 11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.045 0.307 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.345 1.482 9.609 1.00 0.00 H new ATOM 600 N ARG A 44 7.701 3.654 8.664 1.00 0.00 N ATOM 601 CA ARG A 44 7.248 4.298 7.437 1.00 0.00 C ATOM 602 C ARG A 44 7.862 3.627 6.212 1.00 0.00 C ATOM 603 O ARG A 44 9.049 3.301 6.200 1.00 0.00 O ATOM 604 CB ARG A 44 7.611 5.784 7.454 1.00 0.00 C ATOM 605 CG ARG A 44 6.706 6.621 8.344 1.00 0.00 C ATOM 606 CD ARG A 44 7.104 8.087 8.323 1.00 0.00 C ATOM 607 NE ARG A 44 6.759 8.767 9.568 1.00 0.00 N ATOM 608 CZ ARG A 44 6.668 10.089 9.691 1.00 0.00 C ATOM 609 NH1 ARG A 44 6.897 10.876 8.648 1.00 0.00 N ATOM 610 NH2 ARG A 44 6.349 10.626 10.861 1.00 0.00 N ATOM 0 H ARG A 44 8.625 3.949 8.979 1.00 0.00 H new ATOM 0 HA ARG A 44 6.164 4.196 7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.641 5.894 7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.566 6.172 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.673 6.519 8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.751 6.245 9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.177 8.168 8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.609 8.585 7.489 1.00 0.00 H new ATOM 0 HE ARG A 44 6.577 8.195 10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.144 10.469 7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.826 11.889 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.173 10.026 11.667 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.279 11.639 10.955 1.00 0.00 H new ATOM 624 N VAL A 45 7.045 3.425 5.183 1.00 0.00 N ATOM 625 CA VAL A 45 7.507 2.792 3.954 1.00 0.00 C ATOM 626 C VAL A 45 6.928 3.489 2.727 1.00 0.00 C ATOM 627 O VAL A 45 5.834 4.049 2.778 1.00 0.00 O ATOM 628 CB VAL A 45 7.125 1.301 3.910 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.967 0.506 4.896 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.642 1.121 4.197 1.00 0.00 C ATOM 0 H VAL A 45 6.060 3.691 5.176 1.00 0.00 H new ATOM 0 HA VAL A 45 8.593 2.881 3.942 1.00 0.00 H new ATOM 0 HB VAL A 45 7.326 0.922 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.684 -0.546 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.021 0.609 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.800 0.884 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.391 0.061 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.412 1.516 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.059 1.657 3.448 1.00 0.00 H new ATOM 640 N LEU A 46 7.670 3.449 1.625 1.00 0.00 N ATOM 641 CA LEU A 46 7.231 4.077 0.384 1.00 0.00 C ATOM 642 C LEU A 46 6.845 3.024 -0.649 1.00 0.00 C ATOM 643 O LEU A 46 7.581 2.063 -0.877 1.00 0.00 O ATOM 644 CB LEU A 46 8.333 4.977 -0.175 1.00 0.00 C ATOM 645 CG LEU A 46 7.916 5.855 -1.356 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.782 6.786 -0.954 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.104 6.652 -1.872 1.00 0.00 C ATOM 0 H LEU A 46 8.578 2.988 1.566 1.00 0.00 H new ATOM 0 HA LEU A 46 6.353 4.685 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.696 5.621 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.170 4.351 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 46 7.561 5.208 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.498 7.403 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.924 6.196 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.110 7.427 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.789 7.271 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.488 7.289 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.887 5.968 -2.199 1.00 0.00 H new ATOM 659 N VAL A 47 5.686 3.210 -1.273 1.00 0.00 N ATOM 660 CA VAL A 47 5.202 2.276 -2.282 1.00 0.00 C ATOM 661 C VAL A 47 4.955 2.984 -3.611 1.00 0.00 C ATOM 662 O VAL A 47 4.098 3.863 -3.709 1.00 0.00 O ATOM 663 CB VAL A 47 3.902 1.582 -1.827 1.00 0.00 C ATOM 664 CG1 VAL A 47 2.790 2.601 -1.625 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.484 0.515 -2.829 1.00 0.00 C ATOM 0 H VAL A 47 5.065 4.000 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 47 5.977 1.522 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 47 4.091 1.094 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.882 2.090 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.090 3.321 -0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.600 3.123 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.565 0.037 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.315 0.976 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.272 -0.233 -2.914 1.00 0.00 H new ATOM 675 N GLY A 48 5.710 2.595 -4.633 1.00 0.00 N ATOM 676 CA GLY A 48 5.558 3.202 -5.942 1.00 0.00 C ATOM 677 C GLY A 48 6.558 4.315 -6.185 1.00 0.00 C ATOM 678 O GLY A 48 6.929 4.585 -7.328 1.00 0.00 O ATOM 0 H GLY A 48 6.425 1.870 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.677 2.437 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.547 3.598 -6.040 1.00 0.00 H new ATOM 682 N GLY A 49 6.995 4.961 -5.110 1.00 0.00 N ATOM 683 CA GLY A 49 7.954 6.043 -5.234 1.00 0.00 C ATOM 684 C GLY A 49 7.295 7.408 -5.219 1.00 0.00 C ATOM 685 O GLY A 49 7.815 8.362 -5.798 1.00 0.00 O ATOM 0 H GLY A 49 6.702 4.755 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.674 5.982 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.514 5.924 -6.162 1.00 0.00 H new ATOM 689 N THR A 50 6.147 7.502 -4.554 1.00 0.00 N ATOM 690 CA THR A 50 5.417 8.760 -4.466 1.00 0.00 C ATOM 691 C THR A 50 4.420 8.731 -3.313 1.00 0.00 C ATOM 692 O THR A 50 4.331 9.677 -2.531 1.00 0.00 O ATOM 693 CB THR A 50 4.685 9.042 -5.779 1.00 0.00 C ATOM 694 OG1 THR A 50 4.062 7.868 -6.269 1.00 0.00 O ATOM 695 CG2 THR A 50 5.594 9.567 -6.870 1.00 0.00 C ATOM 0 H THR A 50 5.704 6.722 -4.069 1.00 0.00 H new ATOM 0 HA THR A 50 6.138 9.556 -4.281 1.00 0.00 H new ATOM 0 HB THR A 50 3.949 9.809 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.598 8.070 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.012 9.746 -7.774 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.053 10.500 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.372 8.833 -7.079 1.00 0.00 H new ATOM 703 N LYS A 51 3.671 7.636 -3.213 1.00 0.00 N ATOM 704 CA LYS A 51 2.680 7.483 -2.155 1.00 0.00 C ATOM 705 C LYS A 51 3.306 6.865 -0.910 1.00 0.00 C ATOM 706 O LYS A 51 3.665 5.687 -0.902 1.00 0.00 O ATOM 707 CB LYS A 51 1.517 6.615 -2.639 1.00 0.00 C ATOM 708 CG LYS A 51 0.858 7.134 -3.907 1.00 0.00 C ATOM 709 CD LYS A 51 -0.316 6.261 -4.321 1.00 0.00 C ATOM 710 CE LYS A 51 -0.839 6.648 -5.695 1.00 0.00 C ATOM 711 NZ LYS A 51 0.080 6.214 -6.782 1.00 0.00 N ATOM 0 H LYS A 51 3.732 6.843 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 51 2.303 8.473 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.879 5.602 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.768 6.552 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.515 8.156 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.591 7.166 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.009 5.215 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.116 6.353 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.821 6.200 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.971 7.729 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.373 6.374 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.962 6.762 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.294 5.202 -6.672 1.00 0.00 H new ATOM 725 N ALA A 52 3.435 7.666 0.142 1.00 0.00 N ATOM 726 CA ALA A 52 4.017 7.198 1.394 1.00 0.00 C ATOM 727 C ALA A 52 2.960 7.100 2.488 1.00 0.00 C ATOM 728 O ALA A 52 1.885 7.690 2.381 1.00 0.00 O ATOM 729 CB ALA A 52 5.145 8.122 1.828 1.00 0.00 C ATOM 0 H ALA A 52 3.144 8.644 0.152 1.00 0.00 H new ATOM 0 HA ALA A 52 4.423 6.200 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.571 7.761 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.918 8.138 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.755 9.130 1.971 1.00 0.00 H new ATOM 735 N GLY A 53 3.272 6.352 3.540 1.00 0.00 N ATOM 736 CA GLY A 53 2.339 6.191 4.639 1.00 0.00 C ATOM 737 C GLY A 53 2.974 5.534 5.849 1.00 0.00 C ATOM 738 O GLY A 53 4.170 5.695 6.094 1.00 0.00 O ATOM 0 H GLY A 53 4.155 5.854 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.946 7.167 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.492 5.591 4.307 1.00 0.00 H new ATOM 742 N VAL A 54 2.172 4.792 6.606 1.00 0.00 N ATOM 743 CA VAL A 54 2.662 4.109 7.796 1.00 0.00 C ATOM 744 C VAL A 54 2.056 2.715 7.919 1.00 0.00 C ATOM 745 O VAL A 54 0.846 2.539 7.775 1.00 0.00 O ATOM 746 CB VAL A 54 2.345 4.907 9.075 1.00 0.00 C ATOM 747 CG1 VAL A 54 3.037 4.287 10.278 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.751 6.364 8.908 1.00 0.00 C ATOM 0 H VAL A 54 1.180 4.649 6.416 1.00 0.00 H new ATOM 0 HA VAL A 54 3.743 4.025 7.688 1.00 0.00 H new ATOM 0 HB VAL A 54 1.269 4.870 9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.801 4.865 11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.692 3.261 10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.115 4.290 10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.520 6.913 9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.821 6.423 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.203 6.801 8.073 1.00 0.00 H new ATOM 758 N VAL A 55 2.904 1.727 8.185 1.00 0.00 N ATOM 759 CA VAL A 55 2.451 0.349 8.327 1.00 0.00 C ATOM 760 C VAL A 55 1.458 0.213 9.476 1.00 0.00 C ATOM 761 O VAL A 55 1.781 0.513 10.626 1.00 0.00 O ATOM 762 CB VAL A 55 3.633 -0.608 8.570 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.168 -2.056 8.524 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.737 -0.363 7.551 1.00 0.00 C ATOM 0 H VAL A 55 3.909 1.855 8.306 1.00 0.00 H new ATOM 0 HA VAL A 55 1.960 0.079 7.392 1.00 0.00 H new ATOM 0 HB VAL A 55 4.036 -0.412 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.017 -2.717 8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.416 -2.221 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.737 -2.269 7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.564 -1.048 7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.348 -0.529 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.091 0.664 7.638 1.00 0.00 H new ATOM 774 N ARG A 56 0.251 -0.242 9.158 1.00 0.00 N ATOM 775 CA ARG A 56 -0.790 -0.417 10.164 1.00 0.00 C ATOM 776 C ARG A 56 -1.097 -1.897 10.376 1.00 0.00 C ATOM 777 O ARG A 56 -1.399 -2.325 11.490 1.00 0.00 O ATOM 778 CB ARG A 56 -2.060 0.326 9.749 1.00 0.00 C ATOM 779 CG ARG A 56 -1.929 1.839 9.818 1.00 0.00 C ATOM 780 CD ARG A 56 -2.503 2.389 11.114 1.00 0.00 C ATOM 781 NE ARG A 56 -2.751 3.827 11.035 1.00 0.00 N ATOM 782 CZ ARG A 56 -3.528 4.493 11.886 1.00 0.00 C ATOM 783 NH1 ARG A 56 -4.134 3.856 12.880 1.00 0.00 N ATOM 784 NH2 ARG A 56 -3.699 5.800 11.742 1.00 0.00 N ATOM 0 H ARG A 56 -0.031 -0.496 8.211 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.427 -0.001 11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.323 0.038 8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.882 0.011 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.879 2.118 9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.445 2.289 8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.434 1.873 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.812 2.184 11.932 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.302 4.351 10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.005 2.851 12.995 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.728 4.372 13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.235 6.294 10.980 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.294 6.311 12.394 1.00 0.00 H new ATOM 798 N PHE A 57 -1.018 -2.673 9.299 1.00 0.00 N ATOM 799 CA PHE A 57 -1.287 -4.104 9.369 1.00 0.00 C ATOM 800 C PHE A 57 -0.310 -4.885 8.496 1.00 0.00 C ATOM 801 O PHE A 57 0.378 -4.311 7.650 1.00 0.00 O ATOM 802 CB PHE A 57 -2.724 -4.396 8.931 1.00 0.00 C ATOM 803 CG PHE A 57 -3.183 -5.786 9.268 1.00 0.00 C ATOM 804 CD1 PHE A 57 -3.710 -6.071 10.519 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.089 -6.806 8.337 1.00 0.00 C ATOM 806 CE1 PHE A 57 -4.133 -7.348 10.832 1.00 0.00 C ATOM 807 CE2 PHE A 57 -3.511 -8.086 8.645 1.00 0.00 C ATOM 808 CZ PHE A 57 -4.034 -8.357 9.894 1.00 0.00 C ATOM 0 H PHE A 57 -0.770 -2.335 8.369 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.157 -4.422 10.403 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.393 -3.677 9.404 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.805 -4.246 7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.790 -5.286 11.256 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.681 -6.599 7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.541 -7.557 11.810 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.432 -8.873 7.910 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.365 -9.356 10.137 1.00 0.00 H new ATOM 818 N LEU A 58 -0.251 -6.195 8.708 1.00 0.00 N ATOM 819 CA LEU A 58 0.643 -7.055 7.942 1.00 0.00 C ATOM 820 C LEU A 58 0.151 -8.498 7.951 1.00 0.00 C ATOM 821 O LEU A 58 -0.118 -9.066 9.010 1.00 0.00 O ATOM 822 CB LEU A 58 2.062 -6.983 8.509 1.00 0.00 C ATOM 823 CG LEU A 58 3.083 -7.886 7.815 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.516 -7.279 6.488 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.288 -8.118 8.715 1.00 0.00 C ATOM 0 H LEU A 58 -0.812 -6.685 9.405 1.00 0.00 H new ATOM 0 HA LEU A 58 0.653 -6.701 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.410 -5.952 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.028 -7.244 9.567 1.00 0.00 H new ATOM 0 HG LEU A 58 2.613 -8.849 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.242 -7.935 6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.647 -7.164 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.969 -6.303 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.004 -8.763 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.759 -7.163 8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.965 -8.595 9.640 1.00 0.00 H new ATOM 837 N GLY A 59 0.035 -9.086 6.765 1.00 0.00 N ATOM 838 CA GLY A 59 -0.425 -10.459 6.659 1.00 0.00 C ATOM 839 C GLY A 59 -0.726 -10.862 5.229 1.00 0.00 C ATOM 840 O GLY A 59 -0.633 -10.044 4.314 1.00 0.00 O ATOM 0 H GLY A 59 0.251 -8.637 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.334 -11.126 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.322 -10.586 7.265 1.00 0.00 H new ATOM 844 N GLU A 60 -1.091 -12.126 5.037 1.00 0.00 N ATOM 845 CA GLU A 60 -1.408 -12.636 3.709 1.00 0.00 C ATOM 846 C GLU A 60 -2.774 -12.139 3.246 1.00 0.00 C ATOM 847 O GLU A 60 -3.780 -12.341 3.924 1.00 0.00 O ATOM 848 CB GLU A 60 -1.383 -14.166 3.708 1.00 0.00 C ATOM 849 CG GLU A 60 0.019 -14.751 3.662 1.00 0.00 C ATOM 850 CD GLU A 60 0.179 -15.954 4.572 1.00 0.00 C ATOM 851 OE1 GLU A 60 0.321 -15.757 5.797 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.160 -17.093 4.059 1.00 0.00 O ATOM 0 H GLU A 60 -1.174 -12.815 5.784 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.653 -12.266 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.891 -14.530 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.948 -14.530 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.254 -15.041 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.738 -13.984 3.950 1.00 0.00 H new ATOM 859 N THR A 61 -2.799 -11.489 2.087 1.00 0.00 N ATOM 860 CA THR A 61 -4.042 -10.964 1.533 1.00 0.00 C ATOM 861 C THR A 61 -4.977 -12.097 1.124 1.00 0.00 C ATOM 862 O THR A 61 -4.665 -13.273 1.316 1.00 0.00 O ATOM 863 CB THR A 61 -3.747 -10.067 0.329 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.521 -10.432 -0.279 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.666 -8.598 0.683 1.00 0.00 C ATOM 0 H THR A 61 -1.974 -11.313 1.514 1.00 0.00 H new ATOM 0 HA THR A 61 -4.536 -10.373 2.305 1.00 0.00 H new ATOM 0 HB THR A 61 -4.585 -10.213 -0.353 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.945 -9.643 -0.354 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.455 -8.018 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.615 -8.274 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.870 -8.443 1.411 1.00 0.00 H new ATOM 873 N ASP A 62 -6.125 -11.736 0.559 1.00 0.00 N ATOM 874 CA ASP A 62 -7.106 -12.723 0.123 1.00 0.00 C ATOM 875 C ASP A 62 -7.194 -12.767 -1.399 1.00 0.00 C ATOM 876 O ASP A 62 -7.468 -13.814 -1.985 1.00 0.00 O ATOM 877 CB ASP A 62 -8.480 -12.404 0.716 1.00 0.00 C ATOM 878 CG ASP A 62 -9.409 -13.601 0.700 1.00 0.00 C ATOM 879 OD1 ASP A 62 -9.775 -14.054 -0.405 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.772 -14.085 1.792 1.00 0.00 O ATOM 0 H ASP A 62 -6.398 -10.768 0.393 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.783 -13.701 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.358 -12.056 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.934 -11.588 0.154 1.00 0.00 H new ATOM 885 N PHE A 63 -6.960 -11.623 -2.034 1.00 0.00 N ATOM 886 CA PHE A 63 -7.014 -11.532 -3.488 1.00 0.00 C ATOM 887 C PHE A 63 -5.649 -11.821 -4.103 1.00 0.00 C ATOM 888 O PHE A 63 -5.539 -12.571 -5.072 1.00 0.00 O ATOM 889 CB PHE A 63 -7.494 -10.143 -3.915 1.00 0.00 C ATOM 890 CG PHE A 63 -6.693 -9.022 -3.318 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.546 -8.561 -3.946 1.00 0.00 C ATOM 892 CD2 PHE A 63 -7.086 -8.428 -2.129 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.807 -7.530 -3.399 1.00 0.00 C ATOM 894 CE2 PHE A 63 -6.351 -7.396 -1.578 1.00 0.00 C ATOM 895 CZ PHE A 63 -5.209 -6.946 -2.213 1.00 0.00 C ATOM 0 H PHE A 63 -6.731 -10.747 -1.565 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.720 -12.280 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.451 -10.071 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.539 -10.025 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.227 -9.013 -4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.977 -8.776 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.915 -7.181 -3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.669 -6.941 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.632 -6.140 -1.783 1.00 0.00 H new ATOM 905 N ALA A 64 -4.609 -11.220 -3.532 1.00 0.00 N ATOM 906 CA ALA A 64 -3.251 -11.413 -4.024 1.00 0.00 C ATOM 907 C ALA A 64 -2.520 -12.479 -3.214 1.00 0.00 C ATOM 908 O ALA A 64 -2.878 -12.758 -2.070 1.00 0.00 O ATOM 909 CB ALA A 64 -2.483 -10.101 -3.983 1.00 0.00 C ATOM 0 H ALA A 64 -4.682 -10.596 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.311 -11.755 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.470 -10.260 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.987 -9.365 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.441 -9.736 -2.957 1.00 0.00 H new ATOM 915 N LYS A 65 -1.494 -13.074 -3.816 1.00 0.00 N ATOM 916 CA LYS A 65 -0.713 -14.109 -3.152 1.00 0.00 C ATOM 917 C LYS A 65 0.584 -13.536 -2.589 1.00 0.00 C ATOM 918 O LYS A 65 0.860 -12.345 -2.730 1.00 0.00 O ATOM 919 CB LYS A 65 -0.402 -15.248 -4.127 1.00 0.00 C ATOM 920 CG LYS A 65 -1.399 -16.393 -4.062 1.00 0.00 C ATOM 921 CD LYS A 65 -1.038 -17.501 -5.038 1.00 0.00 C ATOM 922 CE LYS A 65 -1.883 -17.429 -6.300 1.00 0.00 C ATOM 923 NZ LYS A 65 -1.236 -18.131 -7.443 1.00 0.00 N ATOM 0 H LYS A 65 -1.185 -12.856 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.305 -14.500 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.383 -14.851 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.596 -15.633 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.429 -16.794 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.398 -16.020 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.017 -17.426 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.179 -18.470 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.860 -17.872 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.053 -16.385 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.844 -18.059 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.315 -17.692 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.097 -19.133 -7.201 1.00 0.00 H new ATOM 937 N GLY A 66 1.377 -14.392 -1.953 1.00 0.00 N ATOM 938 CA GLY A 66 2.634 -13.953 -1.380 1.00 0.00 C ATOM 939 C GLY A 66 2.460 -13.326 -0.010 1.00 0.00 C ATOM 940 O GLY A 66 1.919 -13.952 0.902 1.00 0.00 O ATOM 0 H GLY A 66 1.171 -15.383 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.311 -14.803 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.103 -13.232 -2.049 1.00 0.00 H new ATOM 944 N GLU A 67 2.918 -12.087 0.134 1.00 0.00 N ATOM 945 CA GLU A 67 2.809 -11.375 1.402 1.00 0.00 C ATOM 946 C GLU A 67 2.636 -9.878 1.172 1.00 0.00 C ATOM 947 O GLU A 67 3.533 -9.211 0.657 1.00 0.00 O ATOM 948 CB GLU A 67 4.048 -11.630 2.263 1.00 0.00 C ATOM 949 CG GLU A 67 3.887 -11.185 3.707 1.00 0.00 C ATOM 950 CD GLU A 67 4.772 -11.963 4.660 1.00 0.00 C ATOM 951 OE1 GLU A 67 4.562 -13.186 4.800 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.676 -11.350 5.265 1.00 0.00 O ATOM 0 H GLU A 67 3.368 -11.555 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 67 1.929 -11.749 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.281 -12.695 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.899 -11.109 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.122 -10.123 3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.845 -11.304 4.006 1.00 0.00 H new ATOM 959 N TRP A 68 1.476 -9.356 1.559 1.00 0.00 N ATOM 960 CA TRP A 68 1.185 -7.936 1.395 1.00 0.00 C ATOM 961 C TRP A 68 1.201 -7.219 2.741 1.00 0.00 C ATOM 962 O TRP A 68 0.804 -7.784 3.761 1.00 0.00 O ATOM 963 CB TRP A 68 -0.175 -7.747 0.719 1.00 0.00 C ATOM 964 CG TRP A 68 -0.181 -8.147 -0.725 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.209 -9.349 -1.244 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.597 -7.345 -1.835 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.061 -9.341 -2.610 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.432 -8.123 -2.997 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.093 -6.044 -1.961 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.746 -7.642 -4.266 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.404 -5.568 -3.221 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.230 -6.366 -4.359 1.00 0.00 C ATOM 0 H TRP A 68 0.723 -9.894 1.988 1.00 0.00 H new ATOM 0 HA TRP A 68 1.960 -7.502 0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.923 -8.332 1.254 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.471 -6.701 0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.579 -10.183 -0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.282 -10.116 -3.235 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.231 -5.422 -1.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.612 -8.255 -5.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.787 -4.564 -3.330 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.483 -5.966 -5.330 1.00 0.00 H new ATOM 983 N CYS A 69 1.663 -5.973 2.738 1.00 0.00 N ATOM 984 CA CYS A 69 1.732 -5.179 3.959 1.00 0.00 C ATOM 985 C CYS A 69 0.692 -4.063 3.942 1.00 0.00 C ATOM 986 O CYS A 69 0.722 -3.187 3.077 1.00 0.00 O ATOM 987 CB CYS A 69 3.131 -4.586 4.128 1.00 0.00 C ATOM 988 SG CYS A 69 3.344 -3.620 5.642 1.00 0.00 S ATOM 0 H CYS A 69 1.995 -5.491 1.903 1.00 0.00 H new ATOM 0 HA CYS A 69 1.519 -5.836 4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.861 -5.396 4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.351 -3.951 3.270 1.00 0.00 H new ATOM 0 HG CYS A 69 2.353 -3.855 6.450 1.00 0.00 H new ATOM 994 N GLY A 70 -0.226 -4.101 4.902 1.00 0.00 N ATOM 995 CA GLY A 70 -1.261 -3.087 4.980 1.00 0.00 C ATOM 996 C GLY A 70 -0.726 -1.746 5.445 1.00 0.00 C ATOM 997 O GLY A 70 -0.456 -1.557 6.631 1.00 0.00 O ATOM 0 H GLY A 70 -0.272 -4.816 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.725 -2.970 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.041 -3.420 5.664 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.572 -0.815 4.510 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.067 0.514 4.829 1.00 0.00 C ATOM 1003 C VAL A 71 -1.135 1.578 4.600 1.00 0.00 C ATOM 1004 O VAL A 71 -1.703 1.675 3.512 1.00 0.00 O ATOM 1005 CB VAL A 71 1.176 0.860 3.988 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.803 2.159 4.470 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.185 -0.277 4.033 1.00 0.00 C ATOM 0 H VAL A 71 -0.790 -0.957 3.524 1.00 0.00 H new ATOM 0 HA VAL A 71 0.209 0.502 5.883 1.00 0.00 H new ATOM 0 HB VAL A 71 0.864 0.997 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.680 2.387 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.079 2.968 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.101 2.054 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.056 -0.014 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.493 -0.449 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.730 -1.183 3.634 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.402 2.374 5.630 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.402 3.432 5.539 1.00 0.00 C ATOM 1019 C GLU A 72 -1.775 4.732 5.048 1.00 0.00 C ATOM 1020 O GLU A 72 -0.927 5.317 5.722 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.065 3.653 6.900 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.254 4.598 6.850 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.933 5.970 7.411 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.108 6.051 8.346 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.504 6.963 6.914 1.00 0.00 O ATOM 0 H GLU A 72 -0.940 2.307 6.537 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.160 3.122 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.392 2.692 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.325 4.049 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.588 4.701 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.082 4.165 7.411 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.198 5.178 3.870 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.679 6.410 3.288 1.00 0.00 C ATOM 1034 C LEU A 73 -2.115 7.623 4.103 1.00 0.00 C ATOM 1035 O LEU A 73 -3.244 7.683 4.588 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.154 6.556 1.841 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.949 5.319 0.964 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.659 5.488 -0.370 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.466 5.057 0.751 1.00 0.00 C ATOM 0 H LEU A 73 -2.899 4.705 3.300 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.590 6.358 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.215 6.807 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.630 7.396 1.386 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.380 4.458 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.502 4.599 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.726 5.627 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.258 6.359 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.339 4.174 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.011 5.918 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.016 4.892 1.714 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.212 8.588 4.250 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.505 9.799 5.006 1.00 0.00 C ATOM 1053 C ASP A 74 -2.491 10.686 4.252 1.00 0.00 C ATOM 1054 O ASP A 74 -3.305 11.382 4.859 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.216 10.574 5.288 1.00 0.00 C ATOM 1056 CG ASP A 74 0.696 9.847 6.257 1.00 0.00 C ATOM 1057 OD1 ASP A 74 0.652 8.600 6.290 1.00 0.00 O ATOM 1058 OD2 ASP A 74 1.453 10.526 6.981 1.00 0.00 O ATOM 0 H ASP A 74 -0.272 8.554 3.855 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.959 9.506 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.315 10.743 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.466 11.554 5.694 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.411 10.654 2.926 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.297 11.454 2.089 1.00 0.00 C ATOM 1065 C GLU A 75 -4.383 10.584 1.460 1.00 0.00 C ATOM 1066 O GLU A 75 -4.218 9.373 1.325 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.495 12.161 0.992 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.654 13.317 1.507 1.00 0.00 C ATOM 1069 CD GLU A 75 -2.239 14.670 1.149 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -2.659 14.845 -0.015 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -2.276 15.553 2.031 1.00 0.00 O ATOM 0 H GLU A 75 -1.742 10.083 2.409 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.776 12.203 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.843 11.436 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.183 12.532 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.562 13.240 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.647 13.240 1.096 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.514 11.195 1.066 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.629 10.468 0.449 1.00 0.00 C ATOM 1080 C PRO A 76 -6.260 9.895 -0.916 1.00 0.00 C ATOM 1081 O PRO A 76 -6.666 10.420 -1.953 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.720 11.533 0.306 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.988 12.831 0.297 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.794 12.637 1.188 1.00 0.00 C ATOM 0 HA PRO A 76 -6.934 9.609 1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.290 11.394 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.430 11.485 1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.681 13.099 -0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.621 13.639 0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.947 13.241 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.010 12.920 2.218 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.487 8.813 -0.908 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.063 8.167 -2.144 1.00 0.00 C ATOM 1094 C LEU A 77 -5.144 6.649 -2.021 1.00 0.00 C ATOM 1095 O LEU A 77 -4.363 5.924 -2.636 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.635 8.587 -2.499 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.419 10.094 -2.642 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.039 10.488 -2.137 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.600 10.522 -4.090 1.00 0.00 C ATOM 0 H LEU A 77 -5.142 8.366 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.736 8.484 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.960 8.210 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.353 8.105 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.165 10.607 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.905 11.564 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.945 10.217 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.277 9.966 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.443 11.597 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.877 10.000 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.610 10.276 -4.419 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.094 6.176 -1.221 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.260 4.746 -1.031 1.00 0.00 C ATOM 1113 C GLY A 78 -7.511 4.213 -1.701 1.00 0.00 C ATOM 1114 O GLY A 78 -7.955 4.747 -2.717 1.00 0.00 O ATOM 0 H GLY A 78 -6.752 6.757 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.389 4.226 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.302 4.527 0.036 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.082 3.157 -1.130 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.289 2.552 -1.679 1.00 0.00 C ATOM 1120 C LYS A 79 -10.123 1.903 -0.577 1.00 0.00 C ATOM 1121 O LYS A 79 -11.241 2.335 -0.296 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.927 1.511 -2.740 1.00 0.00 C ATOM 1123 CG LYS A 79 -8.935 2.061 -4.158 1.00 0.00 C ATOM 1124 CD LYS A 79 -8.891 0.944 -5.188 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.285 0.444 -5.528 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.777 1.002 -6.818 1.00 0.00 N ATOM 0 H LYS A 79 -7.728 2.703 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.882 3.341 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.938 1.109 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.630 0.680 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.830 2.663 -4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.079 2.721 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.401 1.302 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.291 0.119 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.277 -0.645 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.974 0.717 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.731 0.636 -7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.810 2.040 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.134 0.720 -7.586 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.571 0.865 0.043 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.263 0.157 1.114 1.00 0.00 C ATOM 1142 C ASN A 80 -10.263 0.978 2.399 1.00 0.00 C ATOM 1143 O ASN A 80 -9.338 1.749 2.655 1.00 0.00 O ATOM 1144 CB ASN A 80 -9.608 -1.202 1.362 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.576 -2.065 0.116 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.612 -2.340 -0.488 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.383 -2.497 -0.274 1.00 0.00 N ATOM 0 H ASN A 80 -8.646 0.495 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.297 0.003 0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.590 -1.051 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.151 -1.725 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.299 -3.082 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.550 -2.244 0.258 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.306 0.806 3.205 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.426 1.531 4.464 1.00 0.00 C ATOM 1156 C ASP A 81 -11.036 0.644 5.642 1.00 0.00 C ATOM 1157 O ASP A 81 -11.579 0.776 6.739 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.856 2.042 4.649 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.888 0.943 4.485 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -14.034 0.430 3.356 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.551 0.597 5.486 1.00 0.00 O ATOM 0 H ASP A 81 -12.080 0.171 3.008 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.745 2.381 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.955 2.485 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.053 2.833 3.925 1.00 0.00 H new ATOM 1166 N GLY A 82 -10.091 -0.261 5.407 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.645 -1.155 6.459 1.00 0.00 C ATOM 1168 C GLY A 82 -10.371 -2.487 6.435 1.00 0.00 C ATOM 1169 O GLY A 82 -10.515 -3.141 7.468 1.00 0.00 O ATOM 0 H GLY A 82 -9.627 -0.391 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.574 -1.327 6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.799 -0.678 7.427 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.830 -2.887 5.254 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.546 -4.148 5.101 1.00 0.00 C ATOM 1175 C ALA A 83 -11.438 -4.669 3.672 1.00 0.00 C ATOM 1176 O ALA A 83 -11.682 -3.936 2.714 1.00 0.00 O ATOM 1177 CB ALA A 83 -13.006 -3.977 5.494 1.00 0.00 C ATOM 0 H ALA A 83 -10.719 -2.357 4.390 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.087 -4.882 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.528 -4.926 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.068 -3.657 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.469 -3.225 4.855 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.072 -5.940 3.537 1.00 0.00 N ATOM 1184 CA VAL A 84 -10.932 -6.559 2.224 1.00 0.00 C ATOM 1185 C VAL A 84 -11.649 -7.904 2.171 1.00 0.00 C ATOM 1186 O VAL A 84 -11.450 -8.759 3.033 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.452 -6.765 1.856 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.318 -7.223 0.411 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.659 -5.488 2.093 1.00 0.00 C ATOM 0 H VAL A 84 -10.867 -6.561 4.320 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.387 -5.879 1.504 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.043 -7.544 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.264 -7.363 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.849 -8.165 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.744 -6.469 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.615 -5.653 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.068 -4.686 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.726 -5.208 3.144 1.00 0.00 H new ATOM 1199 N ALA A 85 -12.485 -8.082 1.153 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.232 -9.323 0.985 1.00 0.00 C ATOM 1201 C ALA A 85 -14.087 -9.624 2.213 1.00 0.00 C ATOM 1202 O ALA A 85 -14.383 -10.782 2.506 1.00 0.00 O ATOM 1203 CB ALA A 85 -12.282 -10.478 0.707 1.00 0.00 C ATOM 0 H ALA A 85 -12.662 -7.382 0.432 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.899 -9.201 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.854 -11.398 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.720 -10.275 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.591 -10.590 1.542 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.481 -8.574 2.927 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.298 -8.750 4.114 1.00 0.00 C ATOM 1211 C GLY A 86 -14.475 -8.782 5.387 1.00 0.00 C ATOM 1212 O GLY A 86 -14.965 -8.426 6.459 1.00 0.00 O ATOM 0 H GLY A 86 -14.249 -7.606 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.024 -7.939 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.863 -9.678 4.027 1.00 0.00 H new ATOM 1216 N THR A 87 -13.221 -9.207 5.271 1.00 0.00 N ATOM 1217 CA THR A 87 -12.330 -9.283 6.423 1.00 0.00 C ATOM 1218 C THR A 87 -11.861 -7.893 6.841 1.00 0.00 C ATOM 1219 O THR A 87 -11.861 -6.959 6.037 1.00 0.00 O ATOM 1220 CB THR A 87 -11.122 -10.166 6.103 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.496 -11.236 5.253 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.474 -10.762 7.333 1.00 0.00 C ATOM 0 H THR A 87 -12.799 -9.504 4.391 1.00 0.00 H new ATOM 0 HA THR A 87 -12.885 -9.724 7.251 1.00 0.00 H new ATOM 0 HB THR A 87 -10.402 -9.507 5.617 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.711 -11.789 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.625 -11.377 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.131 -9.961 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.199 -11.379 7.864 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.461 -7.763 8.101 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.989 -6.486 8.626 1.00 0.00 C ATOM 1232 C ARG A 88 -9.492 -6.538 8.917 1.00 0.00 C ATOM 1233 O ARG A 88 -8.988 -7.525 9.450 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.755 -6.120 9.898 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.989 -4.625 10.058 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.471 -4.287 10.067 1.00 0.00 C ATOM 1237 NE ARG A 88 -13.718 -2.902 9.671 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.919 -2.426 9.349 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.983 -3.219 9.372 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.056 -1.154 9.002 1.00 0.00 N ATOM 0 H ARG A 88 -11.454 -8.526 8.778 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.168 -5.722 7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.717 -6.632 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.203 -6.488 10.763 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.532 -4.282 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.499 -4.091 9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.000 -4.958 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.876 -4.457 11.065 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.924 -2.263 9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.883 -4.199 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.901 -2.849 9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.242 -0.540 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.976 -0.789 8.755 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.789 -5.467 8.562 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.349 -5.390 8.786 1.00 0.00 C ATOM 1256 C TYR A 89 -7.012 -4.283 9.779 1.00 0.00 C ATOM 1257 O TYR A 89 -6.423 -4.535 10.830 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.618 -5.147 7.464 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.773 -6.274 6.469 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.022 -6.614 5.963 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.670 -6.999 6.036 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.165 -7.644 5.054 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.806 -8.031 5.127 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.056 -8.349 4.639 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.196 -9.375 3.733 1.00 0.00 O ATOM 0 H TYR A 89 -9.192 -4.642 8.119 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.020 -6.341 9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.991 -4.225 7.017 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.558 -4.997 7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.894 -6.064 6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.690 -6.752 6.416 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.142 -7.896 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.938 -8.585 4.801 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.318 -9.768 3.545 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.389 -3.054 9.437 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.126 -1.907 10.299 1.00 0.00 C ATOM 1277 C PHE A 90 -8.222 -0.857 10.155 1.00 0.00 C ATOM 1278 O PHE A 90 -8.389 -0.260 9.091 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.766 -1.291 9.962 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.625 -0.902 8.518 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.206 -1.827 7.574 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.912 0.389 8.104 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.076 -1.472 6.246 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.783 0.749 6.776 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.365 -0.182 5.846 1.00 0.00 C ATOM 0 H PHE A 90 -7.877 -2.828 8.570 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.114 -2.255 11.332 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.611 -0.409 10.584 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.981 -2.003 10.217 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.979 -2.837 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.240 1.121 8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.749 -2.202 5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.009 1.758 6.466 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.264 0.098 4.808 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.968 -0.636 11.233 1.00 0.00 N ATOM 1296 CA GLN A 91 -10.050 0.342 11.226 1.00 0.00 C ATOM 1297 C GLN A 91 -9.519 1.738 10.915 1.00 0.00 C ATOM 1298 O GLN A 91 -8.717 2.290 11.668 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.772 0.343 12.577 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.266 0.084 12.467 1.00 0.00 C ATOM 1301 CD GLN A 91 -13.055 1.342 12.163 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -13.829 1.819 12.994 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.864 1.887 10.967 1.00 0.00 N ATOM 0 H GLN A 91 -8.843 -1.121 12.122 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.757 0.062 10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.326 -0.417 13.219 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.613 1.305 13.064 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.447 -0.652 11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.626 -0.349 13.400 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.213 1.458 10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.368 2.734 10.706 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.972 2.303 9.801 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.543 3.635 9.390 1.00 0.00 C ATOM 1314 C CYS A 92 -10.531 4.243 8.400 1.00 0.00 C ATOM 1315 O CYS A 92 -11.484 3.588 7.979 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.148 3.573 8.764 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.108 5.004 9.140 1.00 0.00 S ATOM 0 H CYS A 92 -10.636 1.859 9.167 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.508 4.269 10.276 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.645 2.670 9.111 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.250 3.485 7.682 1.00 0.00 H new ATOM 0 HG CYS A 92 -5.951 4.598 9.572 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.296 5.497 8.031 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.166 6.192 7.090 1.00 0.00 C ATOM 1325 C GLN A 93 -10.964 5.665 5.671 1.00 0.00 C ATOM 1326 O GLN A 93 -9.868 5.235 5.310 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.898 7.698 7.131 1.00 0.00 C ATOM 1328 CG GLN A 93 -10.968 8.290 8.528 1.00 0.00 C ATOM 1329 CD GLN A 93 -11.573 9.679 8.543 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -12.755 9.852 8.836 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -10.761 10.681 8.225 1.00 0.00 N ATOM 0 H GLN A 93 -9.510 6.053 8.369 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.199 6.006 7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.912 7.895 6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.623 8.205 6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.558 7.634 9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.965 8.330 8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.787 10.493 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.112 11.639 8.218 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.023 5.691 4.844 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.954 5.214 3.458 1.00 0.00 C ATOM 1342 C PRO A 94 -11.017 6.059 2.602 1.00 0.00 C ATOM 1343 O PRO A 94 -10.697 7.195 2.950 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.398 5.343 2.958 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.026 6.354 3.854 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.366 6.187 5.192 1.00 0.00 C ATOM 0 HA PRO A 94 -11.560 4.199 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.428 5.665 1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.921 4.388 3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.877 7.363 3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.102 6.196 3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.319 7.129 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.906 5.480 5.822 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.580 5.495 1.481 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.678 6.197 0.574 1.00 0.00 C ATOM 1356 C LYS A 95 -8.360 6.531 1.265 1.00 0.00 C ATOM 1357 O LYS A 95 -7.750 7.564 0.993 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.334 7.478 0.057 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.619 7.234 -0.719 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.364 8.532 -0.984 1.00 0.00 C ATOM 1361 CE LYS A 95 -11.857 9.219 -2.241 1.00 0.00 C ATOM 1362 NZ LYS A 95 -11.953 10.702 -2.141 1.00 0.00 N ATOM 0 H LYS A 95 -10.835 4.555 1.179 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.469 5.538 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.548 8.133 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.627 8.005 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.387 6.747 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.260 6.553 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.430 8.327 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.247 9.200 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.820 8.933 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.433 8.875 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.597 11.133 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.946 10.977 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.383 11.033 -1.337 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.927 5.648 2.160 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.681 5.849 2.890 1.00 0.00 C ATOM 1378 C TYR A 96 -5.916 4.538 3.032 1.00 0.00 C ATOM 1379 O TYR A 96 -4.724 4.468 2.732 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.965 6.440 4.273 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.181 7.937 4.260 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.143 8.804 3.939 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.421 8.483 4.567 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.336 10.172 3.926 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.621 9.850 4.555 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.576 10.690 4.234 1.00 0.00 C ATOM 1387 OH TYR A 96 -7.771 12.053 4.222 1.00 0.00 O ATOM 0 H TYR A 96 -8.421 4.787 2.397 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.066 6.548 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.849 5.958 4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.132 6.207 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.171 8.402 3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.242 7.828 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.519 10.833 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.591 10.259 4.796 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.700 12.253 4.461 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.608 3.501 3.492 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.977 2.206 3.664 1.00 0.00 C ATOM 1399 C GLY A 97 -5.669 1.531 2.341 1.00 0.00 C ATOM 1400 O GLY A 97 -6.574 1.240 1.560 1.00 0.00 O ATOM 0 H GLY A 97 -7.595 3.534 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.054 2.327 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.630 1.562 4.254 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.388 1.282 2.091 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.963 0.637 0.853 1.00 0.00 C ATOM 1406 C LEU A 98 -3.111 -0.594 1.146 1.00 0.00 C ATOM 1407 O LEU A 98 -2.501 -0.700 2.210 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.175 1.622 -0.014 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.713 1.071 -1.364 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.907 0.791 -2.264 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.754 2.044 -2.035 1.00 0.00 C ATOM 0 H LEU A 98 -3.627 1.516 2.728 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.855 0.319 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.793 2.502 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.300 1.954 0.544 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.187 0.132 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.558 0.400 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.558 0.058 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.462 1.714 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.435 1.637 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.256 2.998 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.883 2.195 -1.397 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.075 -1.522 0.195 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.298 -2.747 0.351 1.00 0.00 C ATOM 1425 C PHE A 99 -1.336 -2.934 -0.817 1.00 0.00 C ATOM 1426 O PHE A 99 -1.688 -2.684 -1.971 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.230 -3.956 0.456 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.906 -4.081 1.793 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.225 -4.599 2.882 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -5.221 -3.679 1.958 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.844 -4.715 4.112 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.847 -3.794 3.185 1.00 0.00 C ATOM 1433 CZ PHE A 99 -5.157 -4.313 4.263 1.00 0.00 C ATOM 0 H PHE A 99 -3.574 -1.449 -0.691 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.715 -2.664 1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.991 -3.886 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.658 -4.863 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.199 -4.916 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.764 -3.271 1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.302 -5.119 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.873 -3.479 3.300 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.643 -4.404 5.223 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.121 -3.376 -0.511 1.00 0.00 N ATOM 1444 CA ALA A 100 0.891 -3.599 -1.536 1.00 0.00 C ATOM 1445 C ALA A 100 1.863 -4.699 -1.115 1.00 0.00 C ATOM 1446 O ALA A 100 2.156 -4.858 0.069 1.00 0.00 O ATOM 1447 CB ALA A 100 1.644 -2.308 -1.823 1.00 0.00 C ATOM 0 H ALA A 100 0.187 -3.587 0.438 1.00 0.00 H new ATOM 0 HA ALA A 100 0.387 -3.923 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.397 -2.489 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.944 -1.549 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.131 -1.961 -0.912 1.00 0.00 H new ATOM 1453 N PRO A 101 2.379 -5.477 -2.084 1.00 0.00 N ATOM 1454 CA PRO A 101 3.321 -6.565 -1.802 1.00 0.00 C ATOM 1455 C PRO A 101 4.598 -6.062 -1.138 1.00 0.00 C ATOM 1456 O PRO A 101 5.165 -5.050 -1.549 1.00 0.00 O ATOM 1457 CB PRO A 101 3.636 -7.152 -3.183 1.00 0.00 C ATOM 1458 CG PRO A 101 2.543 -6.678 -4.076 1.00 0.00 C ATOM 1459 CD PRO A 101 2.087 -5.360 -3.522 1.00 0.00 C ATOM 0 HA PRO A 101 2.898 -7.292 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.609 -6.814 -3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.670 -8.241 -3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.899 -6.567 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.722 -7.395 -4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.624 -4.526 -3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.025 -5.193 -3.704 1.00 0.00 H new ATOM 1467 N VAL A 102 5.047 -6.777 -0.110 1.00 0.00 N ATOM 1468 CA VAL A 102 6.259 -6.402 0.612 1.00 0.00 C ATOM 1469 C VAL A 102 7.437 -6.217 -0.341 1.00 0.00 C ATOM 1470 O VAL A 102 8.139 -5.206 -0.285 1.00 0.00 O ATOM 1471 CB VAL A 102 6.632 -7.454 1.674 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.647 -7.417 2.832 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.689 -8.844 1.058 1.00 0.00 C ATOM 0 H VAL A 102 4.590 -7.619 0.241 1.00 0.00 H new ATOM 0 HA VAL A 102 6.047 -5.455 1.109 1.00 0.00 H new ATOM 0 HB VAL A 102 7.622 -7.214 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.927 -8.167 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.664 -6.429 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.643 -7.628 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.954 -9.571 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.715 -9.097 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.439 -8.861 0.267 1.00 0.00 H new ATOM 1483 N HIS A 103 7.648 -7.195 -1.217 1.00 0.00 N ATOM 1484 CA HIS A 103 8.742 -7.135 -2.181 1.00 0.00 C ATOM 1485 C HIS A 103 8.646 -5.875 -3.037 1.00 0.00 C ATOM 1486 O HIS A 103 9.656 -5.363 -3.520 1.00 0.00 O ATOM 1487 CB HIS A 103 8.732 -8.376 -3.075 1.00 0.00 C ATOM 1488 CG HIS A 103 7.411 -8.632 -3.734 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.045 -8.101 -4.950 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.362 -9.388 -3.323 1.00 0.00 C ATOM 1491 CE1 HIS A 103 5.811 -8.539 -5.234 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.351 -9.323 -4.278 1.00 0.00 N ATOM 0 H HIS A 103 7.077 -8.038 -1.279 1.00 0.00 H new ATOM 0 HA HIS A 103 9.680 -7.104 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.496 -8.265 -3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.005 -9.246 -2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.318 -9.950 -2.402 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.264 -8.283 -6.129 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.443 -9.786 -4.245 1.00 0.00 H new ATOM 1500 N LYS A 104 7.427 -5.380 -3.221 1.00 0.00 N ATOM 1501 CA LYS A 104 7.202 -4.179 -4.016 1.00 0.00 C ATOM 1502 C LYS A 104 7.401 -2.921 -3.174 1.00 0.00 C ATOM 1503 O LYS A 104 7.712 -1.854 -3.700 1.00 0.00 O ATOM 1504 CB LYS A 104 5.792 -4.193 -4.613 1.00 0.00 C ATOM 1505 CG LYS A 104 5.776 -4.295 -6.129 1.00 0.00 C ATOM 1506 CD LYS A 104 4.612 -5.142 -6.619 1.00 0.00 C ATOM 1507 CE LYS A 104 4.527 -5.149 -8.137 1.00 0.00 C ATOM 1508 NZ LYS A 104 4.226 -6.505 -8.670 1.00 0.00 N ATOM 0 H LYS A 104 6.580 -5.792 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 104 7.931 -4.169 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.237 -5.033 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.270 -3.285 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.708 -3.297 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.714 -4.729 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.726 -6.163 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.681 -4.757 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.754 -4.452 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.470 -4.796 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.176 -6.467 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.977 -7.165 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.314 -6.832 -8.292 1.00 0.00 H new ATOM 1522 N VAL A 105 7.220 -3.055 -1.863 1.00 0.00 N ATOM 1523 CA VAL A 105 7.380 -1.928 -0.952 1.00 0.00 C ATOM 1524 C VAL A 105 8.848 -1.701 -0.609 1.00 0.00 C ATOM 1525 O VAL A 105 9.595 -2.651 -0.371 1.00 0.00 O ATOM 1526 CB VAL A 105 6.588 -2.140 0.352 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.605 -0.877 1.199 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.160 -2.568 0.046 1.00 0.00 C ATOM 0 H VAL A 105 6.963 -3.932 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 105 6.989 -1.050 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 105 7.067 -2.937 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.040 -1.046 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.634 -0.620 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.152 -0.058 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.616 -2.713 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.667 -1.796 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.173 -3.502 -0.516 1.00 0.00 H new ATOM 1538 N THR A 106 9.256 -0.437 -0.586 1.00 0.00 N ATOM 1539 CA THR A 106 10.635 -0.082 -0.271 1.00 0.00 C ATOM 1540 C THR A 106 10.712 0.690 1.041 1.00 0.00 C ATOM 1541 O THR A 106 10.058 1.720 1.205 1.00 0.00 O ATOM 1542 CB THR A 106 11.240 0.751 -1.402 1.00 0.00 C ATOM 1543 OG1 THR A 106 11.102 0.086 -2.646 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.710 1.052 -1.203 1.00 0.00 C ATOM 0 H THR A 106 8.650 0.360 -0.782 1.00 0.00 H new ATOM 0 HA THR A 106 11.205 -1.004 -0.163 1.00 0.00 H new ATOM 0 HB THR A 106 10.688 1.691 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.494 0.636 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.076 1.646 -2.040 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.845 1.610 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 106 13.269 0.118 -1.149 1.00 0.00 H new ATOM 1552 N LYS A 107 11.514 0.187 1.973 1.00 0.00 N ATOM 1553 CA LYS A 107 11.675 0.832 3.271 1.00 0.00 C ATOM 1554 C LYS A 107 12.394 2.168 3.128 1.00 0.00 C ATOM 1555 O LYS A 107 13.450 2.253 2.499 1.00 0.00 O ATOM 1556 CB LYS A 107 12.449 -0.078 4.226 1.00 0.00 C ATOM 1557 CG LYS A 107 12.261 0.276 5.692 1.00 0.00 C ATOM 1558 CD LYS A 107 13.420 -0.223 6.539 1.00 0.00 C ATOM 1559 CE LYS A 107 14.525 0.817 6.642 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.620 1.392 8.013 1.00 0.00 N ATOM 0 H LYS A 107 12.062 -0.665 1.854 1.00 0.00 H new ATOM 0 HA LYS A 107 10.682 1.016 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.134 -1.109 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.510 -0.028 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.171 1.357 5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.330 -0.158 6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.061 -0.473 7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.821 -1.139 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.478 0.362 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.339 1.617 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.385 2.096 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.719 1.848 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.823 0.633 8.694 1.00 0.00 H new ATOM 1574 N ILE A 108 11.817 3.212 3.715 1.00 0.00 N ATOM 1575 CA ILE A 108 12.402 4.545 3.652 1.00 0.00 C ATOM 1576 C ILE A 108 12.643 5.105 5.049 1.00 0.00 C ATOM 1577 O ILE A 108 11.973 4.719 6.008 1.00 0.00 O ATOM 1578 CB ILE A 108 11.500 5.518 2.870 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.071 5.475 3.416 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.517 5.181 1.387 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.390 6.827 3.434 1.00 0.00 C ATOM 0 H ILE A 108 10.944 3.159 4.240 1.00 0.00 H new ATOM 0 HA ILE A 108 13.355 4.448 3.132 1.00 0.00 H new ATOM 0 HB ILE A 108 11.887 6.529 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.480 4.787 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.090 5.073 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.875 5.878 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.536 5.259 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.153 4.164 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.381 6.721 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.958 7.512 4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.339 7.222 2.420 1.00 0.00 H new