USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 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 Set 1.1: A 103 HIS : no HE2:sc= -5.87! C(o=-6.2!,f=-6.4!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 140:sc= -0.344 (180deg=-1.46!) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= -0.858 (180deg=-2.02!) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00594 USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= 0.955 (180deg=0.654) USER MOD Single : A 61 THR OG1 : rot -136:sc= 1.37 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 3:sc= -2.12 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0998 X(o=-0.1,f=-0.1) USER MOD Single : A 92 CYS SG : rot -126:sc= 0.731 USER MOD Single : A 93 GLN : amide:sc= -0.161 X(o=-0.16,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 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= 1.17 (180deg=0.294) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.358 -5.780 8.185 1.00 0.00 N ATOM 522 CA LEU A 39 8.534 -4.604 8.446 1.00 0.00 C ATOM 523 C LEU A 39 7.818 -4.728 9.785 1.00 0.00 C ATOM 524 O LEU A 39 7.743 -5.812 10.365 1.00 0.00 O ATOM 525 CB LEU A 39 7.512 -4.414 7.323 1.00 0.00 C ATOM 526 CG LEU A 39 8.109 -4.182 5.934 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.046 -4.350 4.861 1.00 0.00 C ATOM 528 CD2 LEU A 39 8.740 -2.800 5.850 1.00 0.00 C ATOM 0 HA LEU A 39 9.188 -3.733 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.871 -5.295 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.874 -3.566 7.573 1.00 0.00 H new ATOM 0 HG LEU A 39 8.887 -4.926 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.490 -4.181 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.640 -5.360 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.245 -3.629 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.160 -2.652 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.981 -2.041 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.532 -2.716 6.594 1.00 0.00 H new ATOM 540 N LYS A 40 7.290 -3.610 10.273 1.00 0.00 N ATOM 541 CA LYS A 40 6.577 -3.591 11.545 1.00 0.00 C ATOM 542 C LYS A 40 5.505 -2.507 11.551 1.00 0.00 C ATOM 543 O LYS A 40 5.450 -1.669 10.650 1.00 0.00 O ATOM 544 CB LYS A 40 7.556 -3.365 12.700 1.00 0.00 C ATOM 545 CG LYS A 40 7.245 -4.195 13.933 1.00 0.00 C ATOM 546 CD LYS A 40 8.306 -4.017 15.006 1.00 0.00 C ATOM 547 CE LYS A 40 7.975 -2.857 15.930 1.00 0.00 C ATOM 548 NZ LYS A 40 8.012 -1.550 15.216 1.00 0.00 N ATOM 0 H LYS A 40 7.343 -2.705 9.806 1.00 0.00 H new ATOM 0 HA LYS A 40 6.091 -4.558 11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.565 -3.598 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.547 -2.309 12.971 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.272 -3.907 14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.178 -5.247 13.657 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.393 -4.934 15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.274 -3.845 14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.985 -3.007 16.361 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.684 -2.839 16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.188 -0.786 15.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.773 -1.563 14.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.101 -1.387 14.742 1.00 0.00 H new ATOM 562 N ILE A 41 4.654 -2.528 12.571 1.00 0.00 N ATOM 563 CA ILE A 41 3.585 -1.546 12.693 1.00 0.00 C ATOM 564 C ILE A 41 4.091 -0.256 13.332 1.00 0.00 C ATOM 565 O ILE A 41 4.122 -0.129 14.556 1.00 0.00 O ATOM 566 CB ILE A 41 2.411 -2.092 13.529 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.018 -3.490 13.046 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.223 -1.146 13.457 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.512 -3.516 11.620 1.00 0.00 C ATOM 0 H ILE A 41 4.684 -3.215 13.325 1.00 0.00 H new ATOM 0 HA ILE A 41 3.235 -1.335 11.682 1.00 0.00 H new ATOM 0 HB ILE A 41 2.729 -2.164 14.569 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.881 -4.150 13.129 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.247 -3.890 13.704 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.403 -1.546 14.053 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.511 -0.170 13.846 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.902 -1.043 12.420 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.252 -4.538 11.345 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.629 -2.882 11.535 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.290 -3.147 10.951 1.00 0.00 H new ATOM 581 N GLY A 42 4.486 0.696 12.495 1.00 0.00 N ATOM 582 CA GLY A 42 4.987 1.963 12.997 1.00 0.00 C ATOM 583 C GLY A 42 6.038 2.572 12.091 1.00 0.00 C ATOM 584 O GLY A 42 6.197 3.793 12.046 1.00 0.00 O ATOM 0 H GLY A 42 4.469 0.614 11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.157 2.661 13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.410 1.815 13.990 1.00 0.00 H new ATOM 588 N ASP A 43 6.758 1.722 11.367 1.00 0.00 N ATOM 589 CA ASP A 43 7.801 2.185 10.458 1.00 0.00 C ATOM 590 C ASP A 43 7.193 2.827 9.214 1.00 0.00 C ATOM 591 O ASP A 43 6.060 2.528 8.840 1.00 0.00 O ATOM 592 CB ASP A 43 8.708 1.021 10.054 1.00 0.00 C ATOM 593 CG ASP A 43 9.932 0.907 10.943 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.864 1.353 12.108 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.958 0.372 10.474 1.00 0.00 O ATOM 0 H ASP A 43 6.639 0.709 11.392 1.00 0.00 H new ATOM 0 HA ASP A 43 8.395 2.936 10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.142 0.090 10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.025 1.153 9.019 1.00 0.00 H new ATOM 600 N ARG A 44 7.956 3.709 8.578 1.00 0.00 N ATOM 601 CA ARG A 44 7.494 4.394 7.377 1.00 0.00 C ATOM 602 C ARG A 44 7.852 3.597 6.126 1.00 0.00 C ATOM 603 O ARG A 44 8.873 2.911 6.087 1.00 0.00 O ATOM 604 CB ARG A 44 8.108 5.793 7.297 1.00 0.00 C ATOM 605 CG ARG A 44 7.601 6.743 8.371 1.00 0.00 C ATOM 606 CD ARG A 44 6.585 7.728 7.816 1.00 0.00 C ATOM 607 NE ARG A 44 7.216 8.767 7.003 1.00 0.00 N ATOM 608 CZ ARG A 44 7.267 8.748 5.671 1.00 0.00 C ATOM 609 NH1 ARG A 44 6.729 7.745 4.987 1.00 0.00 N ATOM 610 NH2 ARG A 44 7.862 9.739 5.019 1.00 0.00 N ATOM 0 H ARG A 44 8.897 3.966 8.874 1.00 0.00 H new ATOM 0 HA ARG A 44 6.409 4.483 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.192 5.710 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.894 6.219 6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.148 6.170 9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.441 7.289 8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.852 7.192 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.043 8.192 8.640 1.00 0.00 H new ATOM 0 HE ARG A 44 7.644 9.557 7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.271 6.979 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.774 7.741 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.279 10.513 5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.903 9.727 4.000 1.00 0.00 H new ATOM 624 N VAL A 45 7.004 3.692 5.107 1.00 0.00 N ATOM 625 CA VAL A 45 7.232 2.979 3.856 1.00 0.00 C ATOM 626 C VAL A 45 6.830 3.831 2.656 1.00 0.00 C ATOM 627 O VAL A 45 6.157 4.850 2.805 1.00 0.00 O ATOM 628 CB VAL A 45 6.452 1.653 3.814 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.110 0.616 4.712 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.001 1.873 4.215 1.00 0.00 C ATOM 0 H VAL A 45 6.154 4.255 5.123 1.00 0.00 H new ATOM 0 HA VAL A 45 8.300 2.765 3.805 1.00 0.00 H new ATOM 0 HB VAL A 45 6.469 1.276 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.544 -0.314 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.130 0.436 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.128 0.982 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.466 0.924 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.960 2.275 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.536 2.578 3.526 1.00 0.00 H new ATOM 640 N LEU A 46 7.247 3.405 1.469 1.00 0.00 N ATOM 641 CA LEU A 46 6.929 4.128 0.243 1.00 0.00 C ATOM 642 C LEU A 46 6.801 3.170 -0.936 1.00 0.00 C ATOM 643 O LEU A 46 7.499 2.158 -1.006 1.00 0.00 O ATOM 644 CB LEU A 46 8.006 5.174 -0.050 1.00 0.00 C ATOM 645 CG LEU A 46 7.786 5.992 -1.324 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.868 7.173 -1.048 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.116 6.469 -1.887 1.00 0.00 C ATOM 0 H LEU A 46 7.806 2.563 1.330 1.00 0.00 H new ATOM 0 HA LEU A 46 5.972 4.631 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.066 5.858 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.970 4.670 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 46 7.308 5.352 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.723 7.743 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.905 6.809 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.318 7.814 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.941 7.049 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.621 7.092 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.741 5.608 -2.123 1.00 0.00 H new ATOM 659 N VAL A 47 5.905 3.496 -1.863 1.00 0.00 N ATOM 660 CA VAL A 47 5.685 2.665 -3.040 1.00 0.00 C ATOM 661 C VAL A 47 5.339 3.518 -4.257 1.00 0.00 C ATOM 662 O VAL A 47 4.392 4.303 -4.228 1.00 0.00 O ATOM 663 CB VAL A 47 4.558 1.641 -2.801 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.242 2.346 -2.514 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.421 0.706 -3.994 1.00 0.00 C ATOM 0 H VAL A 47 5.320 4.330 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 47 6.615 2.129 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 47 4.819 1.043 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.461 1.604 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.348 2.966 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.973 2.973 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.620 -0.009 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.187 1.287 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.358 0.170 -4.146 1.00 0.00 H new ATOM 675 N GLY A 48 6.113 3.356 -5.325 1.00 0.00 N ATOM 676 CA GLY A 48 5.872 4.117 -6.537 1.00 0.00 C ATOM 677 C GLY A 48 6.791 5.315 -6.662 1.00 0.00 C ATOM 678 O GLY A 48 7.211 5.672 -7.763 1.00 0.00 O ATOM 0 H GLY A 48 6.902 2.712 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.006 3.468 -7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.836 4.455 -6.550 1.00 0.00 H new ATOM 682 N GLY A 49 7.106 5.939 -5.532 1.00 0.00 N ATOM 683 CA GLY A 49 7.979 7.097 -5.542 1.00 0.00 C ATOM 684 C GLY A 49 7.245 8.380 -5.204 1.00 0.00 C ATOM 685 O GLY A 49 7.635 9.461 -5.644 1.00 0.00 O ATOM 0 H GLY A 49 6.772 5.663 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.787 6.945 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.438 7.193 -6.526 1.00 0.00 H new ATOM 689 N THR A 50 6.176 8.261 -4.423 1.00 0.00 N ATOM 690 CA THR A 50 5.385 9.419 -4.028 1.00 0.00 C ATOM 691 C THR A 50 4.367 9.043 -2.957 1.00 0.00 C ATOM 692 O THR A 50 4.170 9.778 -1.988 1.00 0.00 O ATOM 693 CB THR A 50 4.669 10.011 -5.244 1.00 0.00 C ATOM 694 OG1 THR A 50 4.406 9.007 -6.207 1.00 0.00 O ATOM 695 CG2 THR A 50 5.458 11.108 -5.926 1.00 0.00 C ATOM 0 H THR A 50 5.838 7.373 -4.051 1.00 0.00 H new ATOM 0 HA THR A 50 6.062 10.166 -3.613 1.00 0.00 H new ATOM 0 HB THR A 50 3.744 10.438 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.947 9.404 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.895 11.485 -6.780 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.635 11.921 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.413 10.710 -6.269 1.00 0.00 H new ATOM 703 N LYS A 51 3.722 7.896 -3.136 1.00 0.00 N ATOM 704 CA LYS A 51 2.724 7.422 -2.185 1.00 0.00 C ATOM 705 C LYS A 51 3.390 6.742 -0.993 1.00 0.00 C ATOM 706 O LYS A 51 4.049 5.713 -1.140 1.00 0.00 O ATOM 707 CB LYS A 51 1.760 6.450 -2.867 1.00 0.00 C ATOM 708 CG LYS A 51 0.773 7.130 -3.802 1.00 0.00 C ATOM 709 CD LYS A 51 -0.261 6.147 -4.329 1.00 0.00 C ATOM 710 CE LYS A 51 -1.496 6.865 -4.850 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.726 6.042 -4.689 1.00 0.00 N ATOM 0 H LYS A 51 3.873 7.276 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 51 2.164 8.285 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.335 5.716 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.207 5.903 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.270 7.941 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.311 7.578 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.178 5.549 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.547 5.458 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.619 7.809 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.357 7.108 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.469 6.400 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.515 5.052 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.055 6.098 -3.704 1.00 0.00 H new ATOM 725 N ALA A 52 3.213 7.325 0.188 1.00 0.00 N ATOM 726 CA ALA A 52 3.796 6.776 1.406 1.00 0.00 C ATOM 727 C ALA A 52 2.758 6.681 2.518 1.00 0.00 C ATOM 728 O ALA A 52 1.604 7.069 2.337 1.00 0.00 O ATOM 729 CB ALA A 52 4.977 7.623 1.854 1.00 0.00 C ATOM 0 H ALA A 52 2.670 8.177 0.327 1.00 0.00 H new ATOM 0 HA ALA A 52 4.148 5.768 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.403 7.201 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.735 7.634 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.641 8.642 2.048 1.00 0.00 H new ATOM 735 N GLY A 53 3.175 6.162 3.668 1.00 0.00 N ATOM 736 CA GLY A 53 2.267 6.025 4.792 1.00 0.00 C ATOM 737 C GLY A 53 2.864 5.214 5.924 1.00 0.00 C ATOM 738 O GLY A 53 4.001 4.749 5.832 1.00 0.00 O ATOM 0 H GLY A 53 4.125 5.834 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.998 7.015 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.346 5.550 4.455 1.00 0.00 H new ATOM 742 N VAL A 54 2.097 5.044 6.996 1.00 0.00 N ATOM 743 CA VAL A 54 2.557 4.283 8.152 1.00 0.00 C ATOM 744 C VAL A 54 1.953 2.883 8.163 1.00 0.00 C ATOM 745 O VAL A 54 0.777 2.700 7.849 1.00 0.00 O ATOM 746 CB VAL A 54 2.199 4.994 9.471 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.856 4.294 10.650 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.607 6.458 9.415 1.00 0.00 C ATOM 0 H VAL A 54 1.154 5.423 7.088 1.00 0.00 H new ATOM 0 HA VAL A 54 3.641 4.208 8.071 1.00 0.00 H new ATOM 0 HB VAL A 54 1.119 4.947 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.592 4.810 11.573 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.509 3.262 10.700 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.939 4.307 10.524 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.347 6.945 10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.683 6.530 9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.084 6.950 8.595 1.00 0.00 H new ATOM 758 N VAL A 55 2.766 1.895 8.526 1.00 0.00 N ATOM 759 CA VAL A 55 2.311 0.511 8.577 1.00 0.00 C ATOM 760 C VAL A 55 1.290 0.308 9.691 1.00 0.00 C ATOM 761 O VAL A 55 1.542 0.648 10.848 1.00 0.00 O ATOM 762 CB VAL A 55 3.488 -0.460 8.794 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.025 -1.901 8.646 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.618 -0.154 7.824 1.00 0.00 C ATOM 0 H VAL A 55 3.743 2.028 8.789 1.00 0.00 H new ATOM 0 HA VAL A 55 1.844 0.297 7.616 1.00 0.00 H new ATOM 0 HB VAL A 55 3.864 -0.325 9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.869 -2.572 8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.252 -2.112 9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.622 -2.053 7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.440 -0.850 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.257 -0.259 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.968 0.866 7.983 1.00 0.00 H new ATOM 774 N ARG A 56 0.137 -0.247 9.335 1.00 0.00 N ATOM 775 CA ARG A 56 -0.924 -0.496 10.305 1.00 0.00 C ATOM 776 C ARG A 56 -1.158 -1.992 10.484 1.00 0.00 C ATOM 777 O ARG A 56 -1.411 -2.463 11.593 1.00 0.00 O ATOM 778 CB ARG A 56 -2.220 0.185 9.860 1.00 0.00 C ATOM 779 CG ARG A 56 -2.088 1.690 9.685 1.00 0.00 C ATOM 780 CD ARG A 56 -2.753 2.448 10.824 1.00 0.00 C ATOM 781 NE ARG A 56 -1.879 3.479 11.379 1.00 0.00 N ATOM 782 CZ ARG A 56 -2.241 4.314 12.351 1.00 0.00 C ATOM 783 NH1 ARG A 56 -3.458 4.244 12.875 1.00 0.00 N ATOM 784 NH2 ARG A 56 -1.384 5.221 12.798 1.00 0.00 N ATOM 0 H ARG A 56 -0.087 -0.533 8.382 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.612 -0.079 11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.547 -0.255 8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.999 -0.020 10.594 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.033 1.960 9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.538 1.987 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.674 2.908 10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.033 1.748 11.611 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.936 3.564 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.121 3.548 12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.730 4.886 13.619 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.448 5.279 12.397 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.661 5.861 13.543 1.00 0.00 H new ATOM 798 N PHE A 57 -1.072 -2.734 9.384 1.00 0.00 N ATOM 799 CA PHE A 57 -1.275 -4.178 9.419 1.00 0.00 C ATOM 800 C PHE A 57 -0.186 -4.900 8.632 1.00 0.00 C ATOM 801 O PHE A 57 0.512 -4.294 7.820 1.00 0.00 O ATOM 802 CB PHE A 57 -2.651 -4.533 8.852 1.00 0.00 C ATOM 803 CG PHE A 57 -3.038 -5.969 9.068 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.696 -6.939 8.140 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.745 -6.347 10.198 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.050 -8.261 8.335 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.103 -7.666 10.398 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.755 -8.624 9.466 1.00 0.00 C ATOM 0 H PHE A 57 -0.863 -2.359 8.458 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.222 -4.503 10.458 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.401 -3.890 9.312 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.660 -4.320 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.146 -6.659 7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.019 -5.602 10.930 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.776 -9.008 7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.655 -7.948 11.283 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.034 -9.656 9.621 1.00 0.00 H new ATOM 818 N LEU A 58 -0.048 -6.199 8.879 1.00 0.00 N ATOM 819 CA LEU A 58 0.957 -7.004 8.194 1.00 0.00 C ATOM 820 C LEU A 58 0.517 -8.462 8.104 1.00 0.00 C ATOM 821 O LEU A 58 0.413 -9.153 9.117 1.00 0.00 O ATOM 822 CB LEU A 58 2.300 -6.910 8.918 1.00 0.00 C ATOM 823 CG LEU A 58 3.497 -7.456 8.138 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.946 -6.459 7.083 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.642 -7.789 9.083 1.00 0.00 C ATOM 0 H LEU A 58 -0.619 -6.716 9.548 1.00 0.00 H new ATOM 0 HA LEU A 58 1.070 -6.613 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.491 -5.865 9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.225 -7.449 9.862 1.00 0.00 H new ATOM 0 HG LEU A 58 3.191 -8.373 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.798 -6.865 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.127 -6.271 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.235 -5.525 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.485 -8.176 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.948 -6.888 9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.314 -8.541 9.801 1.00 0.00 H new ATOM 837 N GLY A 59 0.257 -8.922 6.883 1.00 0.00 N ATOM 838 CA GLY A 59 -0.169 -10.295 6.685 1.00 0.00 C ATOM 839 C GLY A 59 -0.323 -10.648 5.218 1.00 0.00 C ATOM 840 O GLY A 59 0.612 -10.492 4.434 1.00 0.00 O ATOM 0 H GLY A 59 0.334 -8.369 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.557 -10.967 7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.119 -10.455 7.196 1.00 0.00 H new ATOM 844 N GLU A 60 -1.507 -11.126 4.849 1.00 0.00 N ATOM 845 CA GLU A 60 -1.782 -11.503 3.468 1.00 0.00 C ATOM 846 C GLU A 60 -3.031 -10.796 2.948 1.00 0.00 C ATOM 847 O GLU A 60 -3.685 -10.055 3.680 1.00 0.00 O ATOM 848 CB GLU A 60 -1.958 -13.019 3.355 1.00 0.00 C ATOM 849 CG GLU A 60 -0.643 -13.781 3.325 1.00 0.00 C ATOM 850 CD GLU A 60 -0.789 -15.210 3.810 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.886 -15.784 3.645 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.194 -15.755 4.355 1.00 0.00 O ATOM 0 H GLU A 60 -2.291 -11.261 5.487 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.932 -11.196 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.554 -13.371 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.521 -13.245 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.252 -13.784 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.088 -13.263 3.946 1.00 0.00 H new ATOM 859 N THR A 61 -3.353 -11.031 1.681 1.00 0.00 N ATOM 860 CA THR A 61 -4.524 -10.417 1.064 1.00 0.00 C ATOM 861 C THR A 61 -5.447 -11.478 0.474 1.00 0.00 C ATOM 862 O THR A 61 -5.070 -12.644 0.349 1.00 0.00 O ATOM 863 CB THR A 61 -4.094 -9.435 -0.028 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.907 -9.879 -0.662 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.843 -8.036 0.491 1.00 0.00 C ATOM 0 H THR A 61 -2.821 -11.642 1.061 1.00 0.00 H new ATOM 0 HA THR A 61 -5.070 -9.875 1.837 1.00 0.00 H new ATOM 0 HB THR A 61 -4.927 -9.400 -0.730 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.297 -9.121 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.542 -7.390 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.755 -7.646 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.051 -8.062 1.239 1.00 0.00 H new ATOM 873 N ASP A 62 -6.659 -11.067 0.113 1.00 0.00 N ATOM 874 CA ASP A 62 -7.636 -11.983 -0.463 1.00 0.00 C ATOM 875 C ASP A 62 -7.597 -11.931 -1.987 1.00 0.00 C ATOM 876 O ASP A 62 -7.811 -12.942 -2.658 1.00 0.00 O ATOM 877 CB ASP A 62 -9.041 -11.640 0.035 1.00 0.00 C ATOM 878 CG ASP A 62 -10.017 -12.786 -0.156 1.00 0.00 C ATOM 879 OD1 ASP A 62 -10.242 -13.186 -1.317 1.00 0.00 O ATOM 880 OD2 ASP A 62 -10.557 -13.280 0.856 1.00 0.00 O ATOM 0 H ASP A 62 -6.987 -10.106 0.209 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.382 -12.994 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.995 -11.377 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.408 -10.762 -0.496 1.00 0.00 H new ATOM 885 N PHE A 63 -7.323 -10.749 -2.527 1.00 0.00 N ATOM 886 CA PHE A 63 -7.256 -10.566 -3.973 1.00 0.00 C ATOM 887 C PHE A 63 -5.927 -11.072 -4.524 1.00 0.00 C ATOM 888 O PHE A 63 -5.871 -11.636 -5.616 1.00 0.00 O ATOM 889 CB PHE A 63 -7.441 -9.090 -4.329 1.00 0.00 C ATOM 890 CG PHE A 63 -6.514 -8.172 -3.585 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.219 -7.962 -4.032 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.937 -7.519 -2.438 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.365 -7.117 -3.350 1.00 0.00 C ATOM 894 CE2 PHE A 63 -6.086 -6.675 -1.751 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.798 -6.473 -2.208 1.00 0.00 C ATOM 0 H PHE A 63 -7.144 -9.903 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.060 -11.146 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.285 -8.961 -5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.471 -8.801 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.874 -8.465 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.943 -7.672 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.359 -6.960 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.427 -6.174 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.131 -5.813 -1.673 1.00 0.00 H new ATOM 905 N ALA A 64 -4.858 -10.866 -3.760 1.00 0.00 N ATOM 906 CA ALA A 64 -3.530 -11.301 -4.172 1.00 0.00 C ATOM 907 C ALA A 64 -3.003 -12.399 -3.254 1.00 0.00 C ATOM 908 O ALA A 64 -3.604 -12.701 -2.223 1.00 0.00 O ATOM 909 CB ALA A 64 -2.571 -10.121 -4.190 1.00 0.00 C ATOM 0 H ALA A 64 -4.887 -10.401 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.605 -11.710 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.582 -10.460 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.933 -9.369 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.510 -9.687 -3.192 1.00 0.00 H new ATOM 915 N LYS A 65 -1.875 -12.991 -3.634 1.00 0.00 N ATOM 916 CA LYS A 65 -1.266 -14.055 -2.845 1.00 0.00 C ATOM 917 C LYS A 65 0.152 -13.680 -2.426 1.00 0.00 C ATOM 918 O LYS A 65 0.709 -12.691 -2.902 1.00 0.00 O ATOM 919 CB LYS A 65 -1.246 -15.361 -3.641 1.00 0.00 C ATOM 920 CG LYS A 65 -2.488 -16.215 -3.442 1.00 0.00 C ATOM 921 CD LYS A 65 -2.535 -16.811 -2.045 1.00 0.00 C ATOM 922 CE LYS A 65 -3.919 -17.345 -1.714 1.00 0.00 C ATOM 923 NZ LYS A 65 -4.010 -18.817 -1.908 1.00 0.00 N ATOM 0 H LYS A 65 -1.364 -12.751 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.866 -14.194 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.141 -15.129 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.368 -15.939 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.378 -15.609 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.503 -17.016 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.805 -17.616 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.252 -16.053 -1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.165 -17.100 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.659 -16.850 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.970 -19.140 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.801 -19.050 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.323 -19.292 -1.289 1.00 0.00 H new ATOM 937 N GLY A 66 0.729 -14.475 -1.533 1.00 0.00 N ATOM 938 CA GLY A 66 2.077 -14.210 -1.065 1.00 0.00 C ATOM 939 C GLY A 66 2.096 -13.467 0.257 1.00 0.00 C ATOM 940 O GLY A 66 1.723 -14.019 1.293 1.00 0.00 O ATOM 0 H GLY A 66 0.288 -15.299 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.613 -15.153 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.610 -13.625 -1.815 1.00 0.00 H new ATOM 944 N GLU A 67 2.534 -12.212 0.222 1.00 0.00 N ATOM 945 CA GLU A 67 2.601 -11.392 1.427 1.00 0.00 C ATOM 946 C GLU A 67 2.376 -9.920 1.096 1.00 0.00 C ATOM 947 O GLU A 67 3.208 -9.286 0.446 1.00 0.00 O ATOM 948 CB GLU A 67 3.955 -11.572 2.115 1.00 0.00 C ATOM 949 CG GLU A 67 3.992 -11.033 3.535 1.00 0.00 C ATOM 950 CD GLU A 67 5.359 -11.169 4.176 1.00 0.00 C ATOM 951 OE1 GLU A 67 6.159 -12.000 3.695 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.631 -10.445 5.156 1.00 0.00 O ATOM 0 H GLU A 67 2.848 -11.741 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 67 1.811 -11.718 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.207 -12.632 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.722 -11.071 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.701 -9.983 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.257 -11.564 4.140 1.00 0.00 H new ATOM 959 N TRP A 68 1.247 -9.383 1.546 1.00 0.00 N ATOM 960 CA TRP A 68 0.912 -7.986 1.299 1.00 0.00 C ATOM 961 C TRP A 68 0.865 -7.198 2.604 1.00 0.00 C ATOM 962 O TRP A 68 0.294 -7.652 3.595 1.00 0.00 O ATOM 963 CB TRP A 68 -0.434 -7.881 0.578 1.00 0.00 C ATOM 964 CG TRP A 68 -0.369 -8.287 -0.863 1.00 0.00 C ATOM 965 CD1 TRP A 68 -0.024 -9.513 -1.354 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.656 -7.465 -1.999 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.080 -9.503 -2.727 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.466 -8.257 -3.146 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.058 -6.134 -2.157 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.662 -7.763 -4.434 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.253 -5.646 -3.436 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.055 -6.459 -4.559 1.00 0.00 C ATOM 0 H TRP A 68 0.548 -9.895 2.084 1.00 0.00 H new ATOM 0 HA TRP A 68 1.690 -7.559 0.666 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.163 -8.507 1.092 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.794 -6.854 0.643 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.252 -10.366 -0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.131 -10.294 -3.335 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.213 -5.500 -1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.509 -8.387 -5.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.563 -4.620 -3.571 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.216 -6.048 -5.544 1.00 0.00 H new ATOM 983 N CYS A 69 1.468 -6.013 2.597 1.00 0.00 N ATOM 984 CA CYS A 69 1.494 -5.162 3.780 1.00 0.00 C ATOM 985 C CYS A 69 0.407 -4.094 3.707 1.00 0.00 C ATOM 986 O CYS A 69 0.379 -3.286 2.780 1.00 0.00 O ATOM 987 CB CYS A 69 2.866 -4.499 3.928 1.00 0.00 C ATOM 988 SG CYS A 69 3.154 -3.754 5.551 1.00 0.00 S ATOM 0 H CYS A 69 1.945 -5.621 1.785 1.00 0.00 H new ATOM 0 HA CYS A 69 1.305 -5.789 4.651 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.640 -5.243 3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.970 -3.730 3.163 1.00 0.00 H new ATOM 0 HG CYS A 69 2.129 -3.977 6.319 1.00 0.00 H new ATOM 994 N GLY A 70 -0.487 -4.099 4.691 1.00 0.00 N ATOM 995 CA GLY A 70 -1.564 -3.127 4.719 1.00 0.00 C ATOM 996 C GLY A 70 -1.128 -1.795 5.295 1.00 0.00 C ATOM 997 O GLY A 70 -1.411 -1.490 6.454 1.00 0.00 O ATOM 0 H GLY A 70 -0.485 -4.759 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.939 -2.976 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.390 -3.522 5.310 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.438 -0.999 4.485 1.00 0.00 N ATOM 1002 CA VAL A 71 0.037 0.309 4.920 1.00 0.00 C ATOM 1003 C VAL A 71 -0.991 1.394 4.620 1.00 0.00 C ATOM 1004 O VAL A 71 -1.532 1.462 3.516 1.00 0.00 O ATOM 1005 CB VAL A 71 1.371 0.678 4.240 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.930 1.966 4.822 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.375 -0.457 4.379 1.00 0.00 C ATOM 0 H VAL A 71 -0.195 -1.237 3.523 1.00 0.00 H new ATOM 0 HA VAL A 71 0.192 0.247 5.997 1.00 0.00 H new ATOM 0 HB VAL A 71 1.182 0.838 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.871 2.209 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.218 2.776 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.102 1.838 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.310 -0.178 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.560 -0.652 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.976 -1.356 3.908 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.255 2.242 5.608 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.218 3.325 5.450 1.00 0.00 C ATOM 1019 C GLU A 72 -1.523 4.610 5.010 1.00 0.00 C ATOM 1020 O GLU A 72 -0.649 5.124 5.707 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.972 3.562 6.759 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.071 4.606 6.649 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.265 5.385 7.935 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.253 5.726 8.582 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -5.431 5.653 8.296 1.00 0.00 O ATOM 0 H GLU A 72 -0.815 2.200 6.527 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.930 3.034 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.409 2.621 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.263 3.873 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.830 5.298 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.007 4.116 6.380 1.00 0.00 H new ATOM 1032 N LEU A 73 -1.919 5.124 3.850 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.335 6.349 3.317 1.00 0.00 C ATOM 1034 C LEU A 73 -1.799 7.564 4.113 1.00 0.00 C ATOM 1035 O LEU A 73 -2.986 7.712 4.404 1.00 0.00 O ATOM 1036 CB LEU A 73 -1.707 6.518 1.844 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.617 5.243 1.002 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -1.943 5.541 -0.453 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.233 4.623 1.125 1.00 0.00 C ATOM 0 H LEU A 73 -2.642 4.711 3.261 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.251 6.272 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.725 6.903 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.054 7.272 1.404 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.349 4.528 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.874 4.623 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.954 5.941 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.235 6.272 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.185 3.717 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.516 5.333 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.037 4.374 2.168 1.00 0.00 H new ATOM 1051 N ASP A 74 -0.854 8.431 4.464 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.166 9.634 5.226 1.00 0.00 C ATOM 1053 C ASP A 74 -2.146 10.521 4.466 1.00 0.00 C ATOM 1054 O ASP A 74 -2.983 11.195 5.066 1.00 0.00 O ATOM 1055 CB ASP A 74 0.113 10.414 5.533 1.00 0.00 C ATOM 1056 CG ASP A 74 0.912 10.729 4.284 1.00 0.00 C ATOM 1057 OD1 ASP A 74 1.430 9.782 3.656 1.00 0.00 O ATOM 1058 OD2 ASP A 74 1.022 11.923 3.935 1.00 0.00 O ATOM 0 H ASP A 74 0.133 8.322 4.233 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.632 9.329 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.145 11.344 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.731 9.837 6.220 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.036 10.516 3.141 1.00 0.00 N ATOM 1064 CA GLU A 75 -2.913 11.320 2.298 1.00 0.00 C ATOM 1065 C GLU A 75 -4.052 10.474 1.734 1.00 0.00 C ATOM 1066 O GLU A 75 -3.943 9.251 1.647 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.117 11.951 1.154 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.259 13.129 1.590 1.00 0.00 C ATOM 1069 CD GLU A 75 -0.587 13.823 0.422 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -1.111 13.727 -0.709 1.00 0.00 O ATOM 1071 OE2 GLU A 75 0.464 14.464 0.637 1.00 0.00 O ATOM 0 H GLU A 75 -1.348 9.964 2.628 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.342 12.111 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.477 11.192 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.809 12.282 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.879 13.847 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.498 12.781 2.288 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.165 11.118 1.340 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.326 10.417 0.782 1.00 0.00 C ATOM 1080 C PRO A 76 -6.038 9.826 -0.594 1.00 0.00 C ATOM 1081 O PRO A 76 -6.471 10.361 -1.614 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.391 11.513 0.684 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.621 12.783 0.589 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.378 12.576 1.409 1.00 0.00 C ATOM 0 HA PRO A 76 -6.626 9.569 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.027 11.370 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.043 11.510 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.371 13.011 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.204 13.622 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.530 13.126 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.513 12.915 2.436 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.303 8.719 -0.614 1.00 0.00 N ATOM 1093 CA LEU A 77 -4.956 8.054 -1.864 1.00 0.00 C ATOM 1094 C LEU A 77 -5.016 6.539 -1.710 1.00 0.00 C ATOM 1095 O LEU A 77 -4.270 5.808 -2.363 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.558 8.478 -2.321 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.256 9.971 -2.184 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.755 10.211 -2.145 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.893 10.748 -3.326 1.00 0.00 C ATOM 0 H LEU A 77 -4.936 8.264 0.222 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.683 8.352 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.820 7.919 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.432 8.192 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.683 10.325 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.560 11.279 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.324 9.684 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.304 9.842 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.669 11.809 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.494 10.391 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.973 10.602 -3.308 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.906 6.072 -0.840 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.046 4.645 -0.617 1.00 0.00 C ATOM 1113 C GLY A 78 -7.206 4.047 -1.386 1.00 0.00 C ATOM 1114 O GLY A 78 -8.013 4.773 -1.969 1.00 0.00 O ATOM 0 H GLY A 78 -6.532 6.656 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.124 4.143 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.186 4.459 0.448 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.292 2.721 -1.388 1.00 0.00 N ATOM 1119 CA LYS A 79 -8.363 2.026 -2.092 1.00 0.00 C ATOM 1120 C LYS A 79 -9.360 1.423 -1.106 1.00 0.00 C ATOM 1121 O LYS A 79 -10.565 1.655 -1.208 1.00 0.00 O ATOM 1122 CB LYS A 79 -7.786 0.926 -2.985 1.00 0.00 C ATOM 1123 CG LYS A 79 -6.892 1.452 -4.096 1.00 0.00 C ATOM 1124 CD LYS A 79 -6.195 0.321 -4.835 1.00 0.00 C ATOM 1125 CE LYS A 79 -7.171 -0.464 -5.697 1.00 0.00 C ATOM 1126 NZ LYS A 79 -7.307 0.125 -7.058 1.00 0.00 N ATOM 0 H LYS A 79 -6.633 2.106 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.886 2.753 -2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.215 0.231 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.606 0.360 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.488 2.034 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.146 2.127 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.401 0.728 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.723 -0.348 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.832 -1.497 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.147 -0.487 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.981 -0.439 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.654 1.102 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.381 0.123 -7.531 1.00 0.00 H new ATOM 1140 N ASN A 80 -8.850 0.651 -0.154 1.00 0.00 N ATOM 1141 CA ASN A 80 -9.695 0.016 0.851 1.00 0.00 C ATOM 1142 C ASN A 80 -9.733 0.842 2.131 1.00 0.00 C ATOM 1143 O ASN A 80 -8.828 1.634 2.398 1.00 0.00 O ATOM 1144 CB ASN A 80 -9.189 -1.395 1.155 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.635 -2.406 0.116 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.823 -2.518 -0.188 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.681 -3.147 -0.437 1.00 0.00 N ATOM 0 H ASN A 80 -7.855 0.449 -0.056 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.707 -0.047 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.100 -1.385 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.549 -1.704 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.921 -3.842 -1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.709 -3.021 -0.155 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.784 0.653 2.922 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.938 1.381 4.175 1.00 0.00 C ATOM 1156 C ASP A 81 -10.506 0.524 5.361 1.00 0.00 C ATOM 1157 O ASP A 81 -11.032 0.661 6.465 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.392 1.824 4.356 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.351 0.652 4.420 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.717 0.124 3.349 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.735 0.260 5.542 1.00 0.00 O ATOM 0 H ASP A 81 -11.542 0.002 2.717 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.298 2.262 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.479 2.411 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.675 2.477 3.530 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.543 -0.363 5.124 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.056 -1.228 6.182 1.00 0.00 C ATOM 1168 C GLY A 82 -9.570 -2.648 6.055 1.00 0.00 C ATOM 1169 O GLY A 82 -8.931 -3.591 6.523 1.00 0.00 O ATOM 0 H GLY A 82 -9.092 -0.497 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.966 -1.237 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.358 -0.821 7.147 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.728 -2.804 5.421 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.327 -4.121 5.235 1.00 0.00 C ATOM 1175 C ALA A 83 -11.373 -4.501 3.760 1.00 0.00 C ATOM 1176 O ALA A 83 -11.573 -3.649 2.894 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.724 -4.154 5.835 1.00 0.00 C ATOM 0 H ALA A 83 -11.270 -2.035 5.027 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.704 -4.852 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.159 -5.143 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.667 -3.936 6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.348 -3.407 5.345 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.187 -5.788 3.480 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.209 -6.282 2.109 1.00 0.00 C ATOM 1185 C VAL A 84 -12.012 -7.575 2.004 1.00 0.00 C ATOM 1186 O VAL A 84 -11.674 -8.580 2.630 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.785 -6.534 1.578 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.815 -6.833 0.087 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.886 -5.344 1.872 1.00 0.00 C ATOM 0 H VAL A 84 -11.020 -6.506 4.185 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.684 -5.510 1.503 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.376 -7.404 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.800 -7.008 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.421 -7.721 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.245 -5.985 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.885 -5.541 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.290 -4.454 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.837 -5.182 2.949 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.077 -7.541 1.210 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.929 -8.709 1.023 1.00 0.00 C ATOM 1201 C ALA A 85 -14.510 -9.183 2.350 1.00 0.00 C ATOM 1202 O ALA A 85 -14.773 -10.372 2.535 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.147 -9.831 0.356 1.00 0.00 C ATOM 0 H ALA A 85 -13.371 -6.717 0.686 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.758 -8.423 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.795 -10.697 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.786 -9.495 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.299 -10.106 0.983 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.710 -8.247 3.272 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.260 -8.591 4.570 1.00 0.00 C ATOM 1211 C GLY A 86 -14.188 -8.770 5.628 1.00 0.00 C ATOM 1212 O GLY A 86 -14.443 -8.581 6.817 1.00 0.00 O ATOM 0 H GLY A 86 -14.501 -7.257 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.951 -7.810 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.838 -9.511 4.484 1.00 0.00 H new ATOM 1216 N THR A 87 -12.985 -9.135 5.193 1.00 0.00 N ATOM 1217 CA THR A 87 -11.872 -9.340 6.113 1.00 0.00 C ATOM 1218 C THR A 87 -11.334 -8.005 6.622 1.00 0.00 C ATOM 1219 O THR A 87 -10.980 -7.127 5.836 1.00 0.00 O ATOM 1220 CB THR A 87 -10.753 -10.123 5.425 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.289 -11.154 4.614 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.784 -10.761 6.397 1.00 0.00 C ATOM 0 H THR A 87 -12.757 -9.294 4.212 1.00 0.00 H new ATOM 0 HA THR A 87 -12.238 -9.913 6.965 1.00 0.00 H new ATOM 0 HB THR A 87 -10.212 -9.390 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.558 -11.643 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.016 -11.301 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.317 -9.987 7.006 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.321 -11.455 7.043 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.276 -7.863 7.943 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.781 -6.637 8.557 1.00 0.00 C ATOM 1232 C ARG A 88 -9.304 -6.766 8.915 1.00 0.00 C ATOM 1233 O ARG A 88 -8.875 -7.784 9.458 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.594 -6.305 9.810 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.652 -4.818 10.121 1.00 0.00 C ATOM 1236 CD ARG A 88 -12.994 -4.218 9.732 1.00 0.00 C ATOM 1237 NE ARG A 88 -13.969 -4.306 10.816 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.282 -4.174 10.644 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.780 -3.946 9.435 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -16.099 -4.269 11.683 1.00 0.00 N ATOM 0 H ARG A 88 -11.565 -8.581 8.607 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.892 -5.828 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.609 -6.681 9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.163 -6.830 10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.477 -4.661 11.185 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.854 -4.302 9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.856 -3.173 9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.381 -4.735 8.854 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.623 -4.479 11.760 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.156 -3.871 8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.787 -3.846 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.721 -4.443 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.105 -4.168 11.551 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.533 -5.729 8.608 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.103 -5.728 8.897 1.00 0.00 C ATOM 1256 C TYR A 89 -6.730 -4.552 9.793 1.00 0.00 C ATOM 1257 O TYR A 89 -6.090 -4.727 10.830 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.299 -5.669 7.597 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.699 -6.722 6.588 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -6.094 -7.972 6.584 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -7.683 -6.467 5.641 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -6.456 -8.938 5.664 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -8.052 -7.427 4.719 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.436 -8.661 4.734 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.800 -9.619 3.816 1.00 0.00 O ATOM 0 H TYR A 89 -8.873 -4.879 8.159 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.863 -6.652 9.423 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.422 -4.683 7.148 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.240 -5.784 7.829 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.328 -8.193 7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.168 -5.502 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.974 -9.904 5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.819 -7.212 3.990 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.504 -9.264 3.234 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.135 -3.352 9.387 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.844 -2.147 10.154 1.00 0.00 C ATOM 1277 C PHE A 90 -7.939 -1.102 9.962 1.00 0.00 C ATOM 1278 O PHE A 90 -8.038 -0.480 8.904 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.491 -1.568 9.741 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.348 -1.376 8.258 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.010 -2.442 7.439 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.549 -0.132 7.683 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.877 -2.270 6.074 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.417 0.046 6.319 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.081 -1.024 5.514 1.00 0.00 C ATOM 0 H PHE A 90 -7.666 -3.189 8.531 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.807 -2.418 11.209 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.348 -0.609 10.239 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.699 -2.230 10.092 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.849 -3.418 7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.812 0.709 8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.614 -3.109 5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.577 1.021 5.883 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.978 -0.887 4.448 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.760 -0.915 10.990 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.848 0.053 10.933 1.00 0.00 C ATOM 1297 C GLN A 91 -9.313 1.462 10.692 1.00 0.00 C ATOM 1298 O GLN A 91 -8.527 1.982 11.484 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.659 0.018 12.232 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.158 0.148 12.017 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.541 1.462 11.366 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.612 2.498 12.027 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.793 1.425 10.062 1.00 0.00 N ATOM 0 H GLN A 91 -8.692 -1.422 11.873 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.497 -0.217 10.100 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.455 -0.917 12.753 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.322 0.825 12.883 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.505 -0.677 11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.668 0.060 12.976 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.722 0.544 9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.058 2.278 9.569 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.745 2.073 9.593 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.309 3.420 9.247 1.00 0.00 C ATOM 1314 C CYS A 92 -10.352 4.124 8.385 1.00 0.00 C ATOM 1315 O CYS A 92 -11.387 3.548 8.051 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.969 3.374 8.512 1.00 0.00 C ATOM 1317 SG CYS A 92 -8.029 2.514 6.922 1.00 0.00 S ATOM 0 H CYS A 92 -10.396 1.656 8.928 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.187 3.984 10.172 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.621 4.394 8.348 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.233 2.885 9.150 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.120 1.585 6.896 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.073 5.374 8.029 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.988 6.157 7.206 1.00 0.00 C ATOM 1325 C GLN A 93 -10.892 5.741 5.739 1.00 0.00 C ATOM 1326 O GLN A 93 -9.816 5.388 5.256 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.683 7.649 7.344 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.060 8.224 8.699 1.00 0.00 C ATOM 1329 CD GLN A 93 -10.721 9.697 8.822 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -11.568 10.513 9.186 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -9.476 10.044 8.518 1.00 0.00 N ATOM 0 H GLN A 93 -9.221 5.866 8.297 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.003 5.967 7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.619 7.811 7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.217 8.194 6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.129 8.086 8.864 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.543 7.669 9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.807 9.334 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.189 11.021 8.582 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.020 5.778 5.007 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.053 5.403 3.589 1.00 0.00 C ATOM 1342 C PRO A 94 -11.036 6.184 2.761 1.00 0.00 C ATOM 1343 O PRO A 94 -10.697 7.321 3.088 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.478 5.760 3.155 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.278 5.735 4.410 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.348 6.187 5.502 1.00 0.00 C ATOM 0 HA PRO A 94 -11.800 4.353 3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.513 6.742 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.861 5.044 2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.142 6.395 4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.658 4.733 4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.405 7.264 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.586 5.713 6.455 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.554 5.565 1.689 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.577 6.202 0.812 1.00 0.00 C ATOM 1356 C LYS A 95 -8.312 6.570 1.583 1.00 0.00 C ATOM 1357 O LYS A 95 -7.904 7.732 1.611 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.181 7.451 0.167 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.310 7.147 -0.806 1.00 0.00 C ATOM 1360 CD LYS A 95 -11.758 8.395 -1.549 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.062 8.940 -0.988 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.117 10.427 -1.053 1.00 0.00 N ATOM 0 H LYS A 95 -10.824 4.623 1.406 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.308 5.492 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.555 8.110 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.396 7.995 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.981 6.394 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.155 6.723 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.983 9.159 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.884 8.164 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.900 8.521 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.175 8.618 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.022 10.758 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.333 10.828 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.035 10.734 -2.043 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.694 5.572 2.205 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.475 5.790 2.975 1.00 0.00 C ATOM 1378 C TYR A 96 -5.658 4.506 3.077 1.00 0.00 C ATOM 1379 O TYR A 96 -4.444 4.513 2.872 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.814 6.306 4.373 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.146 7.782 4.410 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.247 8.726 3.930 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.356 8.230 4.925 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.545 10.075 3.962 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.661 9.577 4.959 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.752 10.495 4.477 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.053 11.838 4.510 1.00 0.00 O ATOM 0 H TYR A 96 -8.017 4.605 2.191 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.877 6.539 2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.661 5.742 4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.970 6.115 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.300 8.400 3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.070 7.514 5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.835 10.797 3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.607 9.909 5.361 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.942 11.964 4.902 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.332 3.405 3.394 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.652 2.130 3.517 1.00 0.00 C ATOM 1399 C GLY A 97 -5.326 1.514 2.170 1.00 0.00 C ATOM 1400 O GLY A 97 -6.224 1.202 1.388 1.00 0.00 O ATOM 0 H GLY A 97 -7.337 3.374 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.731 2.266 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.277 1.442 4.086 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.037 1.341 1.897 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.593 0.760 0.636 1.00 0.00 C ATOM 1406 C LEU A 98 -2.726 -0.473 0.878 1.00 0.00 C ATOM 1407 O LEU A 98 -1.775 -0.431 1.657 1.00 0.00 O ATOM 1408 CB LEU A 98 -2.813 1.793 -0.180 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.479 1.370 -1.611 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.641 1.675 -2.544 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.213 2.064 -2.089 1.00 0.00 C ATOM 0 H LEU A 98 -3.281 1.595 2.533 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.477 0.456 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.391 2.716 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.883 2.019 0.342 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.306 0.294 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.384 1.367 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.526 1.132 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.847 2.745 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.990 1.752 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.358 3.144 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.382 1.795 -1.437 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.063 -1.567 0.203 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.315 -2.811 0.345 1.00 0.00 C ATOM 1425 C PHE A 99 -1.300 -2.967 -0.783 1.00 0.00 C ATOM 1426 O PHE A 99 -1.545 -2.549 -1.914 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.272 -4.007 0.356 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.600 -4.500 1.737 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -2.675 -5.234 2.462 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -4.832 -4.228 2.309 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -2.973 -5.689 3.732 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.136 -4.681 3.579 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.205 -5.413 4.291 1.00 0.00 C ATOM 0 H PHE A 99 -3.848 -1.618 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.776 -2.777 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.196 -3.727 -0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.829 -4.822 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.710 -5.453 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.563 -3.656 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.243 -6.260 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.100 -4.463 4.014 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.441 -5.769 5.283 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.161 -3.572 -0.466 1.00 0.00 N ATOM 1444 CA ALA A 100 0.892 -3.785 -1.452 1.00 0.00 C ATOM 1445 C ALA A 100 1.827 -4.911 -1.022 1.00 0.00 C ATOM 1446 O ALA A 100 2.028 -5.139 0.172 1.00 0.00 O ATOM 1447 CB ALA A 100 1.675 -2.500 -1.671 1.00 0.00 C ATOM 0 H ALA A 100 0.057 -3.924 0.466 1.00 0.00 H new ATOM 0 HA ALA A 100 0.424 -4.077 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.458 -2.672 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.003 -1.721 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.126 -2.184 -0.730 1.00 0.00 H new ATOM 1453 N PRO A 101 2.417 -5.635 -1.990 1.00 0.00 N ATOM 1454 CA PRO A 101 3.335 -6.739 -1.698 1.00 0.00 C ATOM 1455 C PRO A 101 4.554 -6.277 -0.908 1.00 0.00 C ATOM 1456 O PRO A 101 5.138 -5.236 -1.207 1.00 0.00 O ATOM 1457 CB PRO A 101 3.758 -7.246 -3.081 1.00 0.00 C ATOM 1458 CG PRO A 101 2.735 -6.719 -4.028 1.00 0.00 C ATOM 1459 CD PRO A 101 2.237 -5.433 -3.436 1.00 0.00 C ATOM 0 HA PRO A 101 2.861 -7.504 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.755 -6.890 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.792 -8.335 -3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.168 -6.551 -5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.919 -7.431 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.807 -4.577 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.193 -5.251 -3.690 1.00 0.00 H new ATOM 1467 N VAL A 102 4.933 -7.057 0.100 1.00 0.00 N ATOM 1468 CA VAL A 102 6.083 -6.723 0.933 1.00 0.00 C ATOM 1469 C VAL A 102 7.321 -6.442 0.084 1.00 0.00 C ATOM 1470 O VAL A 102 7.985 -5.419 0.257 1.00 0.00 O ATOM 1471 CB VAL A 102 6.403 -7.849 1.935 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.333 -7.924 3.013 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.544 -9.185 1.221 1.00 0.00 C ATOM 0 H VAL A 102 4.461 -7.923 0.359 1.00 0.00 H new ATOM 0 HA VAL A 102 5.816 -5.823 1.486 1.00 0.00 H new ATOM 0 HB VAL A 102 7.356 -7.620 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.576 -8.725 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.289 -6.976 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.366 -8.125 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.770 -9.964 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.611 -9.425 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.352 -9.124 0.492 1.00 0.00 H new ATOM 1483 N HIS A 103 7.625 -7.352 -0.837 1.00 0.00 N ATOM 1484 CA HIS A 103 8.781 -7.197 -1.713 1.00 0.00 C ATOM 1485 C HIS A 103 8.697 -5.894 -2.503 1.00 0.00 C ATOM 1486 O HIS A 103 9.716 -5.324 -2.891 1.00 0.00 O ATOM 1487 CB HIS A 103 8.885 -8.384 -2.671 1.00 0.00 C ATOM 1488 CG HIS A 103 7.637 -8.628 -3.460 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.457 -8.216 -4.762 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.490 -9.265 -3.107 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.235 -8.603 -5.151 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.607 -9.245 -4.184 1.00 0.00 N ATOM 0 H HIS A 103 7.087 -8.204 -0.996 1.00 0.00 H new ATOM 0 HA HIS A 103 9.675 -7.164 -1.090 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.713 -8.213 -3.359 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.125 -9.281 -2.100 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.134 -7.706 -5.329 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.294 -9.715 -2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.818 -8.414 -6.129 1.00 0.00 H new ATOM 1500 N LYS A 104 7.474 -5.429 -2.737 1.00 0.00 N ATOM 1501 CA LYS A 104 7.256 -4.193 -3.480 1.00 0.00 C ATOM 1502 C LYS A 104 7.394 -2.975 -2.569 1.00 0.00 C ATOM 1503 O LYS A 104 7.710 -1.879 -3.030 1.00 0.00 O ATOM 1504 CB LYS A 104 5.873 -4.205 -4.134 1.00 0.00 C ATOM 1505 CG LYS A 104 5.916 -4.378 -5.644 1.00 0.00 C ATOM 1506 CD LYS A 104 5.617 -5.812 -6.052 1.00 0.00 C ATOM 1507 CE LYS A 104 4.683 -5.866 -7.251 1.00 0.00 C ATOM 1508 NZ LYS A 104 4.002 -7.186 -7.365 1.00 0.00 N ATOM 0 H LYS A 104 6.619 -5.889 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 104 8.017 -4.127 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.282 -5.012 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.360 -3.273 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.192 -3.709 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.900 -4.091 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.548 -6.325 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.166 -6.344 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.935 -5.078 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.249 -5.670 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.012 -7.042 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.486 -7.766 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.032 -7.673 -6.446 1.00 0.00 H new ATOM 1522 N VAL A 105 7.154 -3.174 -1.277 1.00 0.00 N ATOM 1523 CA VAL A 105 7.252 -2.088 -0.308 1.00 0.00 C ATOM 1524 C VAL A 105 8.697 -1.628 -0.143 1.00 0.00 C ATOM 1525 O VAL A 105 9.585 -2.429 0.150 1.00 0.00 O ATOM 1526 CB VAL A 105 6.694 -2.509 1.067 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.721 -1.339 2.039 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.284 -3.058 0.924 1.00 0.00 C ATOM 0 H VAL A 105 6.891 -4.075 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 105 6.654 -1.263 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 105 7.330 -3.298 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.323 -1.657 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.747 -0.995 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.112 -0.525 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.906 -3.350 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.636 -2.291 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.297 -3.927 0.266 1.00 0.00 H new ATOM 1538 N THR A 106 8.924 -0.333 -0.335 1.00 0.00 N ATOM 1539 CA THR A 106 10.260 0.236 -0.208 1.00 0.00 C ATOM 1540 C THR A 106 10.391 1.035 1.084 1.00 0.00 C ATOM 1541 O THR A 106 9.582 1.920 1.363 1.00 0.00 O ATOM 1542 CB THR A 106 10.572 1.132 -1.409 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.392 0.424 -2.622 1.00 0.00 O ATOM 1544 CG2 THR A 106 11.984 1.677 -1.400 1.00 0.00 C ATOM 0 H THR A 106 8.200 0.342 -0.579 1.00 0.00 H new ATOM 0 HA THR A 106 10.976 -0.585 -0.180 1.00 0.00 H new ATOM 0 HB THR A 106 9.878 1.969 -1.333 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.594 1.014 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.138 2.303 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.139 2.271 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.693 0.850 -1.416 1.00 0.00 H new ATOM 1552 N LYS A 107 11.415 0.719 1.870 1.00 0.00 N ATOM 1553 CA LYS A 107 11.651 1.406 3.133 1.00 0.00 C ATOM 1554 C LYS A 107 12.395 2.719 2.909 1.00 0.00 C ATOM 1555 O LYS A 107 13.277 2.806 2.054 1.00 0.00 O ATOM 1556 CB LYS A 107 12.450 0.512 4.084 1.00 0.00 C ATOM 1557 CG LYS A 107 12.360 0.936 5.540 1.00 0.00 C ATOM 1558 CD LYS A 107 13.075 -0.048 6.452 1.00 0.00 C ATOM 1559 CE LYS A 107 12.867 0.297 7.917 1.00 0.00 C ATOM 1560 NZ LYS A 107 12.673 -0.922 8.753 1.00 0.00 N ATOM 0 H LYS A 107 12.095 -0.010 1.653 1.00 0.00 H new ATOM 0 HA LYS A 107 10.683 1.629 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.093 -0.514 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.496 0.514 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.797 1.927 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.313 1.012 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.709 -1.056 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.141 -0.047 6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.728 0.856 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.998 0.948 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.134 -0.675 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.150 -1.637 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.600 -1.306 9.027 1.00 0.00 H new ATOM 1574 N ILE A 108 12.032 3.739 3.680 1.00 0.00 N ATOM 1575 CA ILE A 108 12.664 5.048 3.566 1.00 0.00 C ATOM 1576 C ILE A 108 13.114 5.561 4.928 1.00 0.00 C ATOM 1577 O ILE A 108 12.309 5.697 5.849 1.00 0.00 O ATOM 1578 CB ILE A 108 11.712 6.079 2.930 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.334 6.011 3.589 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.602 5.844 1.430 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.611 7.341 3.620 1.00 0.00 C ATOM 0 H ILE A 108 11.303 3.684 4.391 1.00 0.00 H new ATOM 0 HA ILE A 108 13.534 4.923 2.922 1.00 0.00 H new ATOM 0 HB ILE A 108 12.121 7.076 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.720 5.286 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.446 5.644 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.926 6.580 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.587 5.941 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.214 4.842 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.641 7.217 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.204 8.064 4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.467 7.701 2.601 1.00 0.00 H new