USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 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= -0.906 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -127:sc= 1.28 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -154:sc= -2.82! 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= 0.0326 USER MOD Single : A 89 TYR OH : rot -120:sc= 0.395 USER MOD Single : A 91 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.088) USER MOD Single : A 92 CYS SG : rot 30:sc= -0.176 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.03) 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 :FLIP no HE2:sc= -4.52! C(o=-5.2!,f=-4.5!) USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= -0.129 (180deg=-0.61) 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 9.362 -5.110 8.088 1.00 0.00 N ATOM 522 CA LEU A 39 8.638 -3.844 8.089 1.00 0.00 C ATOM 523 C LEU A 39 8.015 -3.572 9.455 1.00 0.00 C ATOM 524 O LEU A 39 8.229 -2.514 10.045 1.00 0.00 O ATOM 525 CB LEU A 39 7.550 -3.854 7.014 1.00 0.00 C ATOM 526 CG LEU A 39 8.042 -4.149 5.597 1.00 0.00 C ATOM 527 CD1 LEU A 39 6.899 -4.653 4.729 1.00 0.00 C ATOM 528 CD2 LEU A 39 8.671 -2.907 4.983 1.00 0.00 C ATOM 0 HA LEU A 39 9.350 -3.048 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.801 -4.598 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.051 -2.885 7.015 1.00 0.00 H new ATOM 0 HG LEU A 39 8.801 -4.929 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.268 -4.858 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.491 -5.568 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.117 -3.895 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.016 -3.135 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.932 -2.107 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.517 -2.588 5.592 1.00 0.00 H new ATOM 540 N LYS A 40 7.240 -4.533 9.950 1.00 0.00 N ATOM 541 CA LYS A 40 6.585 -4.396 11.245 1.00 0.00 C ATOM 542 C LYS A 40 5.614 -3.219 11.239 1.00 0.00 C ATOM 543 O LYS A 40 5.588 -2.427 10.297 1.00 0.00 O ATOM 544 CB LYS A 40 7.623 -4.208 12.352 1.00 0.00 C ATOM 545 CG LYS A 40 8.543 -5.406 12.532 1.00 0.00 C ATOM 546 CD LYS A 40 9.918 -4.982 13.026 1.00 0.00 C ATOM 547 CE LYS A 40 10.424 -5.903 14.125 1.00 0.00 C ATOM 548 NZ LYS A 40 11.905 -6.045 14.093 1.00 0.00 N ATOM 0 H LYS A 40 7.051 -5.415 9.473 1.00 0.00 H new ATOM 0 HA LYS A 40 6.023 -5.310 11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.226 -3.328 12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.108 -4.011 13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.099 -6.104 13.242 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.643 -5.936 11.584 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.622 -4.986 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.872 -3.959 13.400 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.118 -5.512 15.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.963 -6.885 14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.209 -6.681 14.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.196 -6.442 13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.346 -5.112 14.222 1.00 0.00 H new ATOM 562 N ILE A 41 4.818 -3.109 12.298 1.00 0.00 N ATOM 563 CA ILE A 41 3.847 -2.028 12.414 1.00 0.00 C ATOM 564 C ILE A 41 4.492 -0.770 12.983 1.00 0.00 C ATOM 565 O ILE A 41 5.001 -0.773 14.104 1.00 0.00 O ATOM 566 CB ILE A 41 2.659 -2.430 13.307 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.111 -3.795 12.881 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.568 -1.373 13.247 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.639 -3.833 11.445 1.00 0.00 C ATOM 0 H ILE A 41 4.827 -3.755 13.087 1.00 0.00 H new ATOM 0 HA ILE A 41 3.481 -1.824 11.408 1.00 0.00 H new ATOM 0 HB ILE A 41 3.008 -2.505 14.337 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.886 -4.549 13.021 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.282 -4.065 13.535 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.736 -1.673 13.884 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.966 -0.419 13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.219 -1.268 12.220 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.264 -4.829 11.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.842 -3.103 11.305 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.471 -3.594 10.782 1.00 0.00 H new ATOM 581 N GLY A 42 4.469 0.306 12.203 1.00 0.00 N ATOM 582 CA GLY A 42 5.055 1.557 12.645 1.00 0.00 C ATOM 583 C GLY A 42 6.364 1.862 11.946 1.00 0.00 C ATOM 584 O GLY A 42 7.312 2.342 12.568 1.00 0.00 O ATOM 0 H GLY A 42 4.054 0.333 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.351 2.369 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.222 1.516 13.721 1.00 0.00 H new ATOM 588 N ASP A 43 6.419 1.582 10.647 1.00 0.00 N ATOM 589 CA ASP A 43 7.622 1.828 9.862 1.00 0.00 C ATOM 590 C ASP A 43 7.278 2.510 8.541 1.00 0.00 C ATOM 591 O ASP A 43 6.647 1.913 7.668 1.00 0.00 O ATOM 592 CB ASP A 43 8.358 0.514 9.595 1.00 0.00 C ATOM 593 CG ASP A 43 9.864 0.665 9.693 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.327 1.465 10.531 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.580 -0.018 8.930 1.00 0.00 O ATOM 0 H ASP A 43 5.644 1.185 10.117 1.00 0.00 H new ATOM 0 HA ASP A 43 8.272 2.490 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.024 -0.238 10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.096 0.149 8.602 1.00 0.00 H new ATOM 600 N ARG A 44 7.696 3.764 8.402 1.00 0.00 N ATOM 601 CA ARG A 44 7.433 4.528 7.188 1.00 0.00 C ATOM 602 C ARG A 44 8.060 3.852 5.973 1.00 0.00 C ATOM 603 O ARG A 44 9.217 3.430 6.014 1.00 0.00 O ATOM 604 CB ARG A 44 7.971 5.952 7.329 1.00 0.00 C ATOM 605 CG ARG A 44 6.997 6.908 7.998 1.00 0.00 C ATOM 606 CD ARG A 44 6.977 8.262 7.305 1.00 0.00 C ATOM 607 NE ARG A 44 7.894 9.211 7.931 1.00 0.00 N ATOM 608 CZ ARG A 44 7.688 9.765 9.124 1.00 0.00 C ATOM 609 NH1 ARG A 44 6.600 9.466 9.824 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.571 10.621 9.620 1.00 0.00 N ATOM 0 H ARG A 44 8.218 4.273 9.115 1.00 0.00 H new ATOM 0 HA ARG A 44 6.354 4.569 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.896 5.926 7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.222 6.336 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.996 6.477 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.274 7.038 9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.246 8.136 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.965 8.666 7.329 1.00 0.00 H new ATOM 0 HE ARG A 44 8.742 9.464 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.917 8.809 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.448 9.894 10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.409 10.855 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.412 11.045 10.534 1.00 0.00 H new ATOM 624 N VAL A 45 7.291 3.750 4.895 1.00 0.00 N ATOM 625 CA VAL A 45 7.772 3.125 3.669 1.00 0.00 C ATOM 626 C VAL A 45 7.177 3.799 2.438 1.00 0.00 C ATOM 627 O VAL A 45 6.136 4.451 2.517 1.00 0.00 O ATOM 628 CB VAL A 45 7.430 1.623 3.633 1.00 0.00 C ATOM 629 CG1 VAL A 45 8.329 0.847 4.582 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.964 1.401 3.973 1.00 0.00 C ATOM 0 H VAL A 45 6.331 4.092 4.845 1.00 0.00 H new ATOM 0 HA VAL A 45 8.855 3.244 3.657 1.00 0.00 H new ATOM 0 HB VAL A 45 7.604 1.254 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.072 -0.212 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.370 0.979 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.190 1.216 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.741 0.335 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.760 1.786 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.339 1.923 3.248 1.00 0.00 H new ATOM 640 N LEU A 46 7.845 3.637 1.301 1.00 0.00 N ATOM 641 CA LEU A 46 7.382 4.231 0.052 1.00 0.00 C ATOM 642 C LEU A 46 6.970 3.151 -0.944 1.00 0.00 C ATOM 643 O LEU A 46 7.665 2.149 -1.111 1.00 0.00 O ATOM 644 CB LEU A 46 8.478 5.109 -0.557 1.00 0.00 C ATOM 645 CG LEU A 46 8.005 6.074 -1.646 1.00 0.00 C ATOM 646 CD1 LEU A 46 7.172 7.193 -1.042 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.195 6.641 -2.406 1.00 0.00 C ATOM 0 H LEU A 46 8.708 3.100 1.218 1.00 0.00 H new ATOM 0 HA LEU A 46 6.511 4.848 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.945 5.686 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.249 4.463 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 46 7.379 5.523 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.844 7.869 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.301 6.769 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.773 7.744 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.842 7.326 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.846 7.177 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.751 5.827 -2.871 1.00 0.00 H new ATOM 659 N VAL A 47 5.835 3.362 -1.603 1.00 0.00 N ATOM 660 CA VAL A 47 5.331 2.406 -2.581 1.00 0.00 C ATOM 661 C VAL A 47 5.056 3.085 -3.920 1.00 0.00 C ATOM 662 O VAL A 47 4.143 3.901 -4.038 1.00 0.00 O ATOM 663 CB VAL A 47 4.041 1.721 -2.084 1.00 0.00 C ATOM 664 CG1 VAL A 47 2.935 2.744 -1.872 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.598 0.637 -3.057 1.00 0.00 C ATOM 0 H VAL A 47 5.248 4.186 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 47 6.104 1.649 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 47 4.253 1.249 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.035 2.239 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.253 3.475 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.723 3.251 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.687 0.167 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.407 1.081 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.383 -0.114 -3.147 1.00 0.00 H new ATOM 675 N GLY A 48 5.854 2.740 -4.926 1.00 0.00 N ATOM 676 CA GLY A 48 5.680 3.325 -6.243 1.00 0.00 C ATOM 677 C GLY A 48 6.600 4.507 -6.479 1.00 0.00 C ATOM 678 O GLY A 48 7.058 4.731 -7.599 1.00 0.00 O ATOM 0 H GLY A 48 6.617 2.067 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.867 2.566 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.645 3.645 -6.361 1.00 0.00 H new ATOM 682 N GLY A 49 6.871 5.264 -5.420 1.00 0.00 N ATOM 683 CA GLY A 49 7.742 6.419 -5.538 1.00 0.00 C ATOM 684 C GLY A 49 7.001 7.726 -5.332 1.00 0.00 C ATOM 685 O GLY A 49 7.396 8.763 -5.866 1.00 0.00 O ATOM 0 H GLY A 49 6.503 5.098 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.546 6.341 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.208 6.420 -6.523 1.00 0.00 H new ATOM 689 N THR A 50 5.924 7.678 -4.555 1.00 0.00 N ATOM 690 CA THR A 50 5.126 8.867 -4.279 1.00 0.00 C ATOM 691 C THR A 50 4.249 8.659 -3.049 1.00 0.00 C ATOM 692 O THR A 50 4.163 9.529 -2.182 1.00 0.00 O ATOM 693 CB THR A 50 4.254 9.213 -5.487 1.00 0.00 C ATOM 694 OG1 THR A 50 4.814 8.687 -6.677 1.00 0.00 O ATOM 695 CG2 THR A 50 4.070 10.702 -5.686 1.00 0.00 C ATOM 0 H THR A 50 5.584 6.828 -4.105 1.00 0.00 H new ATOM 0 HA THR A 50 5.808 9.694 -4.082 1.00 0.00 H new ATOM 0 HB THR A 50 3.281 8.768 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.241 8.918 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.442 10.877 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.594 11.131 -4.804 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.042 11.172 -5.838 1.00 0.00 H new ATOM 703 N LYS A 51 3.599 7.502 -2.979 1.00 0.00 N ATOM 704 CA LYS A 51 2.729 7.179 -1.855 1.00 0.00 C ATOM 705 C LYS A 51 3.542 6.699 -0.657 1.00 0.00 C ATOM 706 O LYS A 51 4.186 5.652 -0.712 1.00 0.00 O ATOM 707 CB LYS A 51 1.714 6.109 -2.260 1.00 0.00 C ATOM 708 CG LYS A 51 0.544 6.652 -3.064 1.00 0.00 C ATOM 709 CD LYS A 51 -0.471 5.563 -3.383 1.00 0.00 C ATOM 710 CE LYS A 51 -0.552 5.294 -4.877 1.00 0.00 C ATOM 711 NZ LYS A 51 0.216 4.079 -5.267 1.00 0.00 N ATOM 0 H LYS A 51 3.659 6.772 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 51 2.196 8.086 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.221 5.342 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.332 5.624 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.057 7.451 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.912 7.090 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.197 4.646 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.452 5.859 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.595 5.172 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.168 6.156 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.135 3.931 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.217 4.205 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.166 3.251 -4.767 1.00 0.00 H new ATOM 725 N ALA A 52 3.507 7.471 0.423 1.00 0.00 N ATOM 726 CA ALA A 52 4.241 7.125 1.635 1.00 0.00 C ATOM 727 C ALA A 52 3.321 7.123 2.851 1.00 0.00 C ATOM 728 O ALA A 52 2.749 8.151 3.212 1.00 0.00 O ATOM 729 CB ALA A 52 5.396 8.092 1.846 1.00 0.00 C ATOM 0 H ALA A 52 2.978 8.341 0.484 1.00 0.00 H new ATOM 0 HA ALA A 52 4.642 6.119 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.935 7.822 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.073 8.042 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.008 9.106 1.942 1.00 0.00 H new ATOM 735 N GLY A 53 3.183 5.960 3.480 1.00 0.00 N ATOM 736 CA GLY A 53 2.332 5.846 4.649 1.00 0.00 C ATOM 737 C GLY A 53 2.954 4.996 5.740 1.00 0.00 C ATOM 738 O GLY A 53 4.044 4.452 5.565 1.00 0.00 O ATOM 0 H GLY A 53 3.646 5.095 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.125 6.841 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.375 5.413 4.357 1.00 0.00 H new ATOM 742 N VAL A 54 2.262 4.885 6.868 1.00 0.00 N ATOM 743 CA VAL A 54 2.754 4.096 7.991 1.00 0.00 C ATOM 744 C VAL A 54 2.140 2.700 7.992 1.00 0.00 C ATOM 745 O VAL A 54 0.957 2.530 7.697 1.00 0.00 O ATOM 746 CB VAL A 54 2.445 4.780 9.336 1.00 0.00 C ATOM 747 CG1 VAL A 54 3.136 4.051 10.478 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.861 6.242 9.299 1.00 0.00 C ATOM 0 H VAL A 54 1.359 5.331 7.029 1.00 0.00 H new ATOM 0 HA VAL A 54 3.835 4.016 7.872 1.00 0.00 H new ATOM 0 HB VAL A 54 1.369 4.736 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.906 4.549 11.420 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.784 3.020 10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.214 4.061 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.635 6.709 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.931 6.311 9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.315 6.756 8.508 1.00 0.00 H new ATOM 758 N VAL A 55 2.953 1.702 8.324 1.00 0.00 N ATOM 759 CA VAL A 55 2.490 0.320 8.362 1.00 0.00 C ATOM 760 C VAL A 55 1.614 0.068 9.586 1.00 0.00 C ATOM 761 O VAL A 55 2.065 0.200 10.723 1.00 0.00 O ATOM 762 CB VAL A 55 3.672 -0.668 8.380 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.174 -2.101 8.254 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.658 -0.340 7.270 1.00 0.00 C ATOM 0 H VAL A 55 3.935 1.825 8.570 1.00 0.00 H new ATOM 0 HA VAL A 55 1.904 0.158 7.458 1.00 0.00 H new ATOM 0 HB VAL A 55 4.188 -0.570 9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.023 -2.784 8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.510 -2.330 9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.632 -2.217 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.486 -1.048 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.155 -0.408 6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.040 0.671 7.410 1.00 0.00 H new ATOM 774 N ARG A 56 0.358 -0.294 9.343 1.00 0.00 N ATOM 775 CA ARG A 56 -0.582 -0.565 10.424 1.00 0.00 C ATOM 776 C ARG A 56 -0.900 -2.054 10.509 1.00 0.00 C ATOM 777 O ARG A 56 -1.158 -2.582 11.590 1.00 0.00 O ATOM 778 CB ARG A 56 -1.871 0.234 10.218 1.00 0.00 C ATOM 779 CG ARG A 56 -1.648 1.733 10.116 1.00 0.00 C ATOM 780 CD ARG A 56 -2.769 2.512 10.788 1.00 0.00 C ATOM 781 NE ARG A 56 -2.330 3.833 11.228 1.00 0.00 N ATOM 782 CZ ARG A 56 -3.102 4.685 11.900 1.00 0.00 C ATOM 783 NH1 ARG A 56 -4.350 4.358 12.209 1.00 0.00 N ATOM 784 NH2 ARG A 56 -2.623 5.867 12.263 1.00 0.00 N ATOM 0 H ARG A 56 -0.032 -0.406 8.407 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.118 -0.258 11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.363 -0.114 9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.550 0.032 11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.696 1.992 10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.582 2.021 9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.602 2.620 10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.139 1.949 11.645 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.376 4.120 11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.723 3.450 11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.937 5.015 12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.664 6.123 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.213 6.520 12.778 1.00 0.00 H new ATOM 798 N PHE A 57 -0.880 -2.724 9.361 1.00 0.00 N ATOM 799 CA PHE A 57 -1.167 -4.153 9.306 1.00 0.00 C ATOM 800 C PHE A 57 -0.122 -4.887 8.473 1.00 0.00 C ATOM 801 O PHE A 57 0.310 -4.397 7.429 1.00 0.00 O ATOM 802 CB PHE A 57 -2.560 -4.391 8.723 1.00 0.00 C ATOM 803 CG PHE A 57 -3.074 -5.786 8.944 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.537 -6.855 8.243 1.00 0.00 C ATOM 805 CD2 PHE A 57 -4.092 -6.028 9.852 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.006 -8.139 8.444 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.566 -7.310 10.056 1.00 0.00 C ATOM 808 CZ PHE A 57 -4.022 -8.367 9.351 1.00 0.00 C ATOM 0 H PHE A 57 -0.668 -2.301 8.457 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.134 -4.544 10.323 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.257 -3.681 9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.537 -4.187 7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.743 -6.682 7.532 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.520 -5.206 10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.579 -8.963 7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.361 -7.486 10.766 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.391 -9.370 9.509 1.00 0.00 H new ATOM 818 N LEU A 58 0.280 -6.064 8.940 1.00 0.00 N ATOM 819 CA LEU A 58 1.275 -6.867 8.237 1.00 0.00 C ATOM 820 C LEU A 58 0.916 -8.348 8.293 1.00 0.00 C ATOM 821 O LEU A 58 1.136 -9.012 9.307 1.00 0.00 O ATOM 822 CB LEU A 58 2.662 -6.643 8.842 1.00 0.00 C ATOM 823 CG LEU A 58 3.804 -7.365 8.126 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.256 -6.573 6.909 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.969 -7.592 9.078 1.00 0.00 C ATOM 0 H LEU A 58 -0.068 -6.484 9.802 1.00 0.00 H new ATOM 0 HA LEU A 58 1.287 -6.554 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.873 -5.574 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.644 -6.966 9.883 1.00 0.00 H new ATOM 0 HG LEU A 58 3.440 -8.335 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.069 -7.102 6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.421 -6.460 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.602 -5.589 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.773 -8.107 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.332 -6.632 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.638 -8.200 9.920 1.00 0.00 H new ATOM 837 N GLY A 59 0.361 -8.860 7.200 1.00 0.00 N ATOM 838 CA GLY A 59 -0.019 -10.260 7.147 1.00 0.00 C ATOM 839 C GLY A 59 -0.411 -10.703 5.751 1.00 0.00 C ATOM 840 O GLY A 59 -0.184 -9.984 4.778 1.00 0.00 O ATOM 0 H GLY A 59 0.167 -8.331 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.811 -10.872 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.853 -10.433 7.827 1.00 0.00 H new ATOM 844 N GLU A 60 -0.998 -11.891 5.653 1.00 0.00 N ATOM 845 CA GLU A 60 -1.422 -12.431 4.366 1.00 0.00 C ATOM 846 C GLU A 60 -2.766 -11.847 3.946 1.00 0.00 C ATOM 847 O GLU A 60 -3.708 -11.799 4.737 1.00 0.00 O ATOM 848 CB GLU A 60 -1.515 -13.957 4.436 1.00 0.00 C ATOM 849 CG GLU A 60 -0.182 -14.658 4.230 1.00 0.00 C ATOM 850 CD GLU A 60 0.099 -14.959 2.772 1.00 0.00 C ATOM 851 OE1 GLU A 60 -0.868 -15.179 2.013 1.00 0.00 O ATOM 852 OE2 GLU A 60 1.288 -14.975 2.387 1.00 0.00 O ATOM 0 H GLU A 60 -1.191 -12.498 6.449 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.677 -12.152 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.921 -14.244 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.219 -14.305 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.618 -14.034 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.174 -15.589 4.797 1.00 0.00 H new ATOM 859 N THR A 61 -2.848 -11.405 2.695 1.00 0.00 N ATOM 860 CA THR A 61 -4.077 -10.824 2.168 1.00 0.00 C ATOM 861 C THR A 61 -4.966 -11.899 1.550 1.00 0.00 C ATOM 862 O THR A 61 -4.523 -13.023 1.313 1.00 0.00 O ATOM 863 CB THR A 61 -3.754 -9.752 1.126 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.805 -10.233 0.191 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.201 -8.479 1.729 1.00 0.00 C ATOM 0 H THR A 61 -2.077 -11.438 2.027 1.00 0.00 H new ATOM 0 HA THR A 61 -4.616 -10.364 2.997 1.00 0.00 H new ATOM 0 HB THR A 61 -4.704 -9.522 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.058 -9.602 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.993 -7.761 0.936 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.931 -8.056 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.280 -8.702 2.267 1.00 0.00 H new ATOM 873 N ASP A 62 -6.221 -11.545 1.291 1.00 0.00 N ATOM 874 CA ASP A 62 -7.170 -12.480 0.699 1.00 0.00 C ATOM 875 C ASP A 62 -7.321 -12.226 -0.798 1.00 0.00 C ATOM 876 O ASP A 62 -7.379 -13.163 -1.593 1.00 0.00 O ATOM 877 CB ASP A 62 -8.532 -12.360 1.386 1.00 0.00 C ATOM 878 CG ASP A 62 -8.525 -12.940 2.787 1.00 0.00 C ATOM 879 OD1 ASP A 62 -8.689 -14.172 2.920 1.00 0.00 O ATOM 880 OD2 ASP A 62 -8.356 -12.164 3.751 1.00 0.00 O ATOM 0 H ASP A 62 -6.603 -10.619 1.482 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.785 -13.490 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.822 -11.310 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.285 -12.873 0.787 1.00 0.00 H new ATOM 885 N PHE A 63 -7.382 -10.953 -1.173 1.00 0.00 N ATOM 886 CA PHE A 63 -7.525 -10.574 -2.574 1.00 0.00 C ATOM 887 C PHE A 63 -6.348 -11.085 -3.398 1.00 0.00 C ATOM 888 O PHE A 63 -6.527 -11.589 -4.507 1.00 0.00 O ATOM 889 CB PHE A 63 -7.630 -9.054 -2.703 1.00 0.00 C ATOM 890 CG PHE A 63 -6.419 -8.323 -2.197 1.00 0.00 C ATOM 891 CD1 PHE A 63 -6.328 -7.945 -0.866 1.00 0.00 C ATOM 892 CD2 PHE A 63 -5.373 -8.015 -3.051 1.00 0.00 C ATOM 893 CE1 PHE A 63 -5.215 -7.273 -0.399 1.00 0.00 C ATOM 894 CE2 PHE A 63 -4.257 -7.344 -2.589 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.178 -6.972 -1.261 1.00 0.00 C ATOM 0 H PHE A 63 -7.335 -10.166 -0.526 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.438 -11.029 -2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.788 -8.797 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.507 -8.711 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.135 -8.178 -0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.430 -8.303 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.155 -6.983 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.448 -7.111 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.307 -6.447 -0.897 1.00 0.00 H new ATOM 905 N ALA A 64 -5.145 -10.951 -2.849 1.00 0.00 N ATOM 906 CA ALA A 64 -3.938 -11.399 -3.533 1.00 0.00 C ATOM 907 C ALA A 64 -3.234 -12.498 -2.745 1.00 0.00 C ATOM 908 O ALA A 64 -3.697 -12.905 -1.680 1.00 0.00 O ATOM 909 CB ALA A 64 -2.996 -10.226 -3.762 1.00 0.00 C ATOM 0 H ALA A 64 -4.980 -10.536 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.230 -11.812 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.099 -10.574 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.494 -9.474 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.720 -9.788 -2.803 1.00 0.00 H new ATOM 915 N LYS A 65 -2.112 -12.975 -3.276 1.00 0.00 N ATOM 916 CA LYS A 65 -1.343 -14.026 -2.622 1.00 0.00 C ATOM 917 C LYS A 65 0.017 -13.505 -2.171 1.00 0.00 C ATOM 918 O LYS A 65 0.450 -12.431 -2.588 1.00 0.00 O ATOM 919 CB LYS A 65 -1.157 -15.214 -3.569 1.00 0.00 C ATOM 920 CG LYS A 65 -2.318 -16.196 -3.549 1.00 0.00 C ATOM 921 CD LYS A 65 -3.227 -16.010 -4.754 1.00 0.00 C ATOM 922 CE LYS A 65 -4.665 -16.386 -4.432 1.00 0.00 C ATOM 923 NZ LYS A 65 -5.636 -15.425 -5.022 1.00 0.00 N ATOM 0 H LYS A 65 -1.716 -12.650 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.897 -14.353 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.025 -14.841 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.241 -15.741 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.933 -17.216 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.894 -16.061 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.187 -14.972 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.866 -16.622 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.871 -17.388 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.798 -16.419 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.604 -15.717 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.456 -14.473 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.527 -15.412 -6.056 1.00 0.00 H new ATOM 937 N GLY A 66 0.685 -14.272 -1.315 1.00 0.00 N ATOM 938 CA GLY A 66 1.990 -13.870 -0.821 1.00 0.00 C ATOM 939 C GLY A 66 1.895 -12.923 0.359 1.00 0.00 C ATOM 940 O GLY A 66 0.799 -12.587 0.808 1.00 0.00 O ATOM 0 H GLY A 66 0.346 -15.164 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.553 -14.756 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.548 -13.390 -1.625 1.00 0.00 H new ATOM 944 N GLU A 67 3.046 -12.493 0.864 1.00 0.00 N ATOM 945 CA GLU A 67 3.089 -11.580 2.001 1.00 0.00 C ATOM 946 C GLU A 67 2.813 -10.147 1.557 1.00 0.00 C ATOM 947 O GLU A 67 3.594 -9.555 0.813 1.00 0.00 O ATOM 948 CB GLU A 67 4.450 -11.659 2.694 1.00 0.00 C ATOM 949 CG GLU A 67 4.539 -10.817 3.957 1.00 0.00 C ATOM 950 CD GLU A 67 5.855 -11.000 4.688 1.00 0.00 C ATOM 951 OE1 GLU A 67 6.494 -12.057 4.503 1.00 0.00 O ATOM 952 OE2 GLU A 67 6.245 -10.086 5.445 1.00 0.00 O ATOM 0 H GLU A 67 3.962 -12.762 0.504 1.00 0.00 H new ATOM 0 HA GLU A 67 2.313 -11.879 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.661 -12.699 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.223 -11.336 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.415 -9.766 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.718 -11.080 4.623 1.00 0.00 H new ATOM 959 N TRP A 68 1.696 -9.595 2.020 1.00 0.00 N ATOM 960 CA TRP A 68 1.315 -8.231 1.671 1.00 0.00 C ATOM 961 C TRP A 68 1.399 -7.315 2.888 1.00 0.00 C ATOM 962 O TRP A 68 1.209 -7.753 4.022 1.00 0.00 O ATOM 963 CB TRP A 68 -0.102 -8.206 1.096 1.00 0.00 C ATOM 964 CG TRP A 68 -0.163 -8.588 -0.350 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.110 -9.815 -0.886 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.518 -7.741 -1.449 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.053 -9.780 -2.250 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.439 -8.518 -2.620 1.00 0.00 C ATOM 969 CE3 TRP A 68 -0.896 -6.399 -1.555 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.724 -7.998 -3.880 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.179 -5.884 -2.807 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.092 -6.682 -3.953 1.00 0.00 C ATOM 0 H TRP A 68 1.039 -10.071 2.638 1.00 0.00 H new ATOM 0 HA TRP A 68 2.012 -7.867 0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.731 -8.885 1.671 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.518 -7.206 1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.410 -10.685 -0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.090 -10.566 -2.884 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -0.966 -5.776 -0.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.657 -8.611 -4.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.472 -4.849 -2.902 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.320 -6.250 -4.916 1.00 0.00 H new ATOM 983 N CYS A 69 1.684 -6.039 2.643 1.00 0.00 N ATOM 984 CA CYS A 69 1.792 -5.060 3.719 1.00 0.00 C ATOM 985 C CYS A 69 0.688 -4.013 3.614 1.00 0.00 C ATOM 986 O CYS A 69 0.630 -3.253 2.648 1.00 0.00 O ATOM 987 CB CYS A 69 3.162 -4.379 3.680 1.00 0.00 C ATOM 988 SG CYS A 69 3.682 -3.680 5.265 1.00 0.00 S ATOM 0 H CYS A 69 1.844 -5.660 1.710 1.00 0.00 H new ATOM 0 HA CYS A 69 1.681 -5.585 4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.907 -5.104 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.140 -3.585 2.934 1.00 0.00 H new ATOM 0 HG CYS A 69 4.512 -2.701 5.056 1.00 0.00 H new ATOM 994 N GLY A 70 -0.185 -3.981 4.615 1.00 0.00 N ATOM 995 CA GLY A 70 -1.275 -3.023 4.616 1.00 0.00 C ATOM 996 C GLY A 70 -0.887 -1.701 5.249 1.00 0.00 C ATOM 997 O GLY A 70 -0.950 -1.548 6.469 1.00 0.00 O ATOM 0 H GLY A 70 -0.157 -4.601 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.602 -2.849 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.124 -3.444 5.154 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.484 -0.746 4.418 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.082 0.569 4.904 1.00 0.00 C ATOM 1003 C VAL A 71 -1.217 1.577 4.759 1.00 0.00 C ATOM 1004 O VAL A 71 -1.873 1.642 3.719 1.00 0.00 O ATOM 1005 CB VAL A 71 1.154 1.093 4.150 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.676 2.366 4.798 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.239 0.029 4.097 1.00 0.00 C ATOM 0 H VAL A 71 -0.427 -0.858 3.406 1.00 0.00 H new ATOM 0 HA VAL A 71 0.168 0.454 5.959 1.00 0.00 H new ATOM 0 HB VAL A 71 0.859 1.329 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.549 2.721 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.899 3.130 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.954 2.160 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.104 0.418 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.533 -0.242 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.859 -0.853 3.582 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.442 2.362 5.807 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.498 3.368 5.795 1.00 0.00 C ATOM 1019 C GLU A 72 -1.962 4.714 5.319 1.00 0.00 C ATOM 1020 O GLU A 72 -0.969 5.219 5.844 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.109 3.514 7.191 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.420 4.283 7.204 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.274 5.675 7.788 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.403 5.864 8.662 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -5.032 6.575 7.371 1.00 0.00 O ATOM 0 H GLU A 72 -0.908 2.321 6.675 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.271 3.039 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.275 2.522 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.394 4.020 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.803 4.358 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.158 3.726 7.782 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.624 5.289 4.320 1.00 0.00 N ATOM 1033 CA LEU A 73 -2.213 6.576 3.772 1.00 0.00 C ATOM 1034 C LEU A 73 -2.946 7.720 4.466 1.00 0.00 C ATOM 1035 O LEU A 73 -4.049 7.541 4.982 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.481 6.622 2.266 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.177 5.325 1.514 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.573 5.452 0.051 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.703 4.971 1.640 1.00 0.00 C ATOM 0 H LEU A 73 -3.447 4.884 3.874 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.144 6.693 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.528 6.880 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.885 7.424 1.831 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.763 4.522 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.350 4.520 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.641 5.660 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.013 6.267 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.504 4.046 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.099 5.775 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.449 4.839 2.692 1.00 0.00 H new ATOM 1051 N ASP A 74 -2.327 8.896 4.470 1.00 0.00 N ATOM 1052 CA ASP A 74 -2.921 10.070 5.098 1.00 0.00 C ATOM 1053 C ASP A 74 -3.822 10.813 4.117 1.00 0.00 C ATOM 1054 O ASP A 74 -4.815 11.425 4.510 1.00 0.00 O ATOM 1055 CB ASP A 74 -1.828 11.007 5.615 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.878 11.446 4.519 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -0.815 10.761 3.476 1.00 0.00 O ATOM 1058 OD2 ASP A 74 -0.196 12.477 4.702 1.00 0.00 O ATOM 0 H ASP A 74 -1.414 9.061 4.045 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.528 9.734 5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.290 11.886 6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.264 10.505 6.401 1.00 0.00 H new ATOM 1063 N GLU A 75 -3.469 10.755 2.837 1.00 0.00 N ATOM 1064 CA GLU A 75 -4.245 11.420 1.799 1.00 0.00 C ATOM 1065 C GLU A 75 -5.196 10.439 1.118 1.00 0.00 C ATOM 1066 O GLU A 75 -4.989 9.227 1.166 1.00 0.00 O ATOM 1067 CB GLU A 75 -3.314 12.049 0.759 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.727 13.381 1.197 1.00 0.00 C ATOM 1069 CD GLU A 75 -1.730 13.936 0.198 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -0.919 13.146 -0.332 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -1.761 15.157 -0.055 1.00 0.00 O ATOM 0 H GLU A 75 -2.650 10.254 2.494 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.836 12.205 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.501 11.356 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.865 12.192 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.534 14.101 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.237 13.258 2.163 1.00 0.00 H new ATOM 1078 N PRO A 76 -6.258 10.953 0.472 1.00 0.00 N ATOM 1079 CA PRO A 76 -7.241 10.114 -0.220 1.00 0.00 C ATOM 1080 C PRO A 76 -6.649 9.412 -1.437 1.00 0.00 C ATOM 1081 O PRO A 76 -6.956 9.758 -2.579 1.00 0.00 O ATOM 1082 CB PRO A 76 -8.325 11.108 -0.648 1.00 0.00 C ATOM 1083 CG PRO A 76 -7.633 12.426 -0.706 1.00 0.00 C ATOM 1084 CD PRO A 76 -6.579 12.388 0.364 1.00 0.00 C ATOM 0 HA PRO A 76 -7.611 9.312 0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.747 10.840 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.149 11.125 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.187 12.590 -1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -8.334 13.243 -0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.704 12.976 0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.949 12.790 1.307 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.796 8.423 -1.187 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.160 7.671 -2.262 1.00 0.00 C ATOM 1094 C LEU A 77 -5.245 6.170 -2.001 1.00 0.00 C ATOM 1095 O LEU A 77 -4.363 5.411 -2.399 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.696 8.093 -2.410 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.480 9.487 -2.997 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.071 9.977 -2.702 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.740 9.480 -4.496 1.00 0.00 C ATOM 0 H LEU A 77 -5.530 8.124 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.690 7.890 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.221 8.051 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.187 7.366 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.187 10.172 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.935 10.971 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.919 10.020 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.348 9.291 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.581 10.481 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.057 8.782 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.768 9.172 -4.686 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.311 5.752 -1.327 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.490 4.343 -1.024 1.00 0.00 C ATOM 1113 C GLY A 78 -7.558 3.695 -1.881 1.00 0.00 C ATOM 1114 O GLY A 78 -7.699 4.019 -3.060 1.00 0.00 O ATOM 0 H GLY A 78 -7.054 6.362 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.545 3.820 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.756 4.232 0.027 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.312 2.776 -1.287 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.374 2.079 -2.004 1.00 0.00 C ATOM 1120 C LYS A 79 -10.353 1.432 -1.029 1.00 0.00 C ATOM 1121 O LYS A 79 -11.569 1.539 -1.191 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.778 1.016 -2.932 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.151 1.207 -4.393 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.462 0.513 -4.727 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.255 1.286 -5.771 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.635 0.427 -6.926 1.00 0.00 N ATOM 0 H LYS A 79 -8.208 2.497 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.917 2.810 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.692 1.031 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.113 0.031 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.235 2.271 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.357 0.813 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.259 -0.493 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.059 0.406 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.154 1.697 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.663 2.130 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.174 0.990 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.776 0.055 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.221 -0.365 -6.592 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.814 0.760 -0.017 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.640 0.095 0.985 1.00 0.00 C ATOM 1142 C ASN A 80 -10.496 0.772 2.345 1.00 0.00 C ATOM 1143 O ASN A 80 -9.493 1.431 2.618 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.254 -1.381 1.095 1.00 0.00 C ATOM 1145 CG ASN A 80 -10.245 -2.078 -0.251 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -11.215 -2.008 -1.006 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -9.146 -2.756 -0.558 1.00 0.00 N ATOM 0 H ASN A 80 -8.810 0.661 0.131 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.681 0.170 0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.267 -1.463 1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.954 -1.888 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.082 -3.246 -1.450 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.366 -2.787 0.098 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.506 0.605 3.193 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.492 1.199 4.524 1.00 0.00 C ATOM 1156 C ASP A 81 -10.948 0.212 5.554 1.00 0.00 C ATOM 1157 O ASP A 81 -11.531 0.029 6.623 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.901 1.646 4.919 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.881 0.490 4.973 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.736 -0.448 4.161 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.794 0.523 5.825 1.00 0.00 O ATOM 0 H ASP A 81 -12.344 0.063 2.982 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.836 2.069 4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.865 2.134 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.258 2.388 4.204 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.828 -0.421 5.223 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.223 -1.381 6.128 1.00 0.00 C ATOM 1168 C GLY A 82 -9.964 -2.703 6.150 1.00 0.00 C ATOM 1169 O GLY A 82 -9.957 -3.411 7.157 1.00 0.00 O ATOM 0 H GLY A 82 -9.328 -0.287 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.188 -1.553 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.201 -0.963 7.135 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.605 -3.038 5.034 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.354 -4.284 4.927 1.00 0.00 C ATOM 1175 C ALA A 83 -11.488 -4.721 3.472 1.00 0.00 C ATOM 1176 O ALA A 83 -11.619 -3.890 2.574 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.729 -4.128 5.561 1.00 0.00 C ATOM 0 H ALA A 83 -10.620 -2.463 4.191 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.803 -5.058 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.278 -5.066 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.617 -3.869 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.278 -3.337 5.049 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.453 -6.031 3.248 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.569 -6.578 1.902 1.00 0.00 C ATOM 1185 C VAL A 84 -12.473 -7.806 1.884 1.00 0.00 C ATOM 1186 O VAL A 84 -12.236 -8.774 2.606 1.00 0.00 O ATOM 1187 CB VAL A 84 -10.192 -6.961 1.329 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -10.309 -7.339 -0.139 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.201 -5.822 1.517 1.00 0.00 C ATOM 0 H VAL A 84 -11.345 -6.732 3.981 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.008 -5.797 1.281 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.821 -7.829 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.325 -7.606 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.983 -8.189 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.702 -6.493 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.233 -6.110 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.565 -4.934 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.094 -5.605 2.580 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.513 -7.759 1.056 1.00 0.00 N ATOM 1200 CA ALA A 85 -14.452 -8.867 0.944 1.00 0.00 C ATOM 1201 C ALA A 85 -15.091 -9.184 2.292 1.00 0.00 C ATOM 1202 O ALA A 85 -15.441 -10.331 2.571 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.752 -10.097 0.387 1.00 0.00 C ATOM 0 H ALA A 85 -13.725 -6.964 0.453 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.245 -8.571 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.465 -10.917 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.349 -9.871 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.939 -10.386 1.053 1.00 0.00 H new ATOM 1209 N GLY A 86 -15.241 -8.160 3.125 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.838 -8.349 4.434 1.00 0.00 C ATOM 1211 C GLY A 86 -14.799 -8.521 5.525 1.00 0.00 C ATOM 1212 O GLY A 86 -15.049 -8.195 6.685 1.00 0.00 O ATOM 0 H GLY A 86 -14.960 -7.202 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.469 -7.492 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.486 -9.225 4.412 1.00 0.00 H new ATOM 1216 N THR A 87 -13.632 -9.036 5.153 1.00 0.00 N ATOM 1217 CA THR A 87 -12.553 -9.252 6.108 1.00 0.00 C ATOM 1218 C THR A 87 -11.894 -7.933 6.494 1.00 0.00 C ATOM 1219 O THR A 87 -11.331 -7.238 5.648 1.00 0.00 O ATOM 1220 CB THR A 87 -11.509 -10.206 5.524 1.00 0.00 C ATOM 1221 OG1 THR A 87 -12.069 -10.989 4.485 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.926 -11.154 6.550 1.00 0.00 C ATOM 0 H THR A 87 -13.410 -9.311 4.196 1.00 0.00 H new ATOM 0 HA THR A 87 -12.981 -9.699 7.005 1.00 0.00 H new ATOM 0 HB THR A 87 -10.711 -9.566 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.385 -11.591 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.193 -11.803 6.071 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.442 -10.581 7.341 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.723 -11.762 6.978 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.964 -7.595 7.777 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.371 -6.360 8.275 1.00 0.00 C ATOM 1232 C ARG A 88 -9.942 -6.598 8.750 1.00 0.00 C ATOM 1233 O ARG A 88 -9.656 -7.590 9.420 1.00 0.00 O ATOM 1234 CB ARG A 88 -12.213 -5.789 9.417 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.017 -4.297 9.631 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.156 -3.694 10.436 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.117 -2.992 9.588 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.004 -2.111 10.044 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.057 -1.820 11.338 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.841 -1.518 9.204 1.00 0.00 N ATOM 0 H ARG A 88 -12.425 -8.159 8.491 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.348 -5.640 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.266 -5.983 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.965 -6.315 10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.073 -4.124 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.948 -3.796 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.668 -4.483 10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.751 -3.002 11.174 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.107 -3.189 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.415 -2.273 11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.739 -1.144 11.681 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.805 -1.737 8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.521 -0.843 9.553 1.00 0.00 H new ATOM 1254 N TYR A 89 -9.046 -5.682 8.397 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.645 -5.792 8.786 1.00 0.00 C ATOM 1256 C TYR A 89 -7.287 -4.749 9.839 1.00 0.00 C ATOM 1257 O TYR A 89 -6.825 -5.084 10.929 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.741 -5.629 7.563 1.00 0.00 C ATOM 1259 CG TYR A 89 -7.063 -6.588 6.438 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.217 -6.436 5.680 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -6.214 -7.644 6.135 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.516 -7.310 4.652 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -6.506 -8.523 5.109 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.657 -8.351 4.371 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.950 -9.223 3.347 1.00 0.00 O ATOM 0 H TYR A 89 -9.266 -4.855 7.842 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.491 -6.782 9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.825 -4.607 7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.704 -5.774 7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.892 -5.621 5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.310 -7.781 6.711 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.418 -7.178 4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.836 -9.340 4.887 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.023 -10.133 3.703 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.505 -3.481 9.503 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.205 -2.386 10.420 1.00 0.00 C ATOM 1277 C PHE A 90 -8.278 -1.305 10.342 1.00 0.00 C ATOM 1278 O PHE A 90 -8.546 -0.758 9.273 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.837 -1.785 10.096 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.672 -1.415 8.649 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -6.032 -0.155 8.198 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.160 -2.325 7.740 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.885 0.189 6.869 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.010 -1.988 6.409 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.373 -0.729 5.973 1.00 0.00 C ATOM 0 H PHE A 90 -7.888 -3.187 8.604 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.189 -2.786 11.434 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.685 -0.897 10.709 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.061 -2.499 10.371 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.432 0.567 8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.874 -3.311 8.076 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.170 1.174 6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.610 -2.708 5.710 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.257 -0.463 4.933 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.890 -1.003 11.483 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.934 0.012 11.544 1.00 0.00 C ATOM 1297 C GLN A 91 -9.381 1.386 11.180 1.00 0.00 C ATOM 1298 O GLN A 91 -8.479 1.899 11.843 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.556 0.053 12.941 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.060 0.278 12.929 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.443 1.629 12.357 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.485 2.630 13.073 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.723 1.664 11.060 1.00 0.00 N ATOM 0 H GLN A 91 -8.680 -1.447 12.377 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.704 -0.253 10.819 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.341 -0.885 13.453 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.082 0.847 13.518 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.537 -0.508 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.444 0.196 13.946 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.675 0.810 10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.986 2.545 10.619 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.928 1.976 10.123 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.491 3.292 9.669 1.00 0.00 C ATOM 1314 C CYS A 92 -10.567 3.957 8.817 1.00 0.00 C ATOM 1315 O CYS A 92 -11.634 3.387 8.593 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.191 3.175 8.871 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.698 3.159 9.892 1.00 0.00 S ATOM 0 H CYS A 92 -10.675 1.564 9.564 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.314 3.912 10.548 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -8.222 2.261 8.277 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.131 4.008 8.171 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.967 2.624 11.046 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.280 5.167 8.348 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.226 5.908 7.522 1.00 0.00 C ATOM 1325 C GLN A 93 -11.157 5.447 6.067 1.00 0.00 C ATOM 1326 O GLN A 93 -10.095 5.062 5.579 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.940 7.410 7.607 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.737 8.117 8.690 1.00 0.00 C ATOM 1329 CD GLN A 93 -12.185 9.504 8.271 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -13.060 9.655 7.418 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -11.585 10.526 8.870 1.00 0.00 N ATOM 0 H GLN A 93 -9.402 5.654 8.525 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.230 5.713 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.876 7.560 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.163 7.870 6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.611 7.517 8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.130 8.192 9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.865 10.355 9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.844 11.482 8.629 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.296 5.480 5.351 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.356 5.064 3.946 1.00 0.00 C ATOM 1342 C PRO A 94 -11.373 5.837 3.073 1.00 0.00 C ATOM 1343 O PRO A 94 -11.010 6.971 3.385 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.798 5.382 3.533 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.564 5.417 4.810 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.609 5.925 5.852 1.00 0.00 C ATOM 0 HA PRO A 94 -12.088 4.015 3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.858 6.337 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.192 4.623 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.433 6.070 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.934 4.425 5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.657 7.010 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.827 5.508 6.835 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.945 5.216 1.979 1.00 0.00 N ATOM 1355 CA LYS A 95 -10.004 5.847 1.060 1.00 0.00 C ATOM 1356 C LYS A 95 -8.706 6.211 1.775 1.00 0.00 C ATOM 1357 O LYS A 95 -8.236 7.346 1.693 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.629 7.097 0.436 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.732 6.792 -0.565 1.00 0.00 C ATOM 1360 CD LYS A 95 -11.986 7.972 -1.490 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.277 7.796 -2.273 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.423 8.826 -3.340 1.00 0.00 N ATOM 0 H LYS A 95 -11.235 4.277 1.707 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.772 5.134 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.034 7.725 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.849 7.674 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.458 5.918 -1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.649 6.542 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.036 8.890 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.151 8.080 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.297 6.803 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.126 7.856 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.315 8.672 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.429 9.773 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.626 8.753 -4.005 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.129 5.240 2.474 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.885 5.457 3.203 1.00 0.00 C ATOM 1378 C TYR A 96 -6.104 4.155 3.347 1.00 0.00 C ATOM 1379 O TYR A 96 -4.906 4.104 3.066 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.175 6.047 4.585 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.591 7.500 4.548 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.798 8.454 3.920 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.776 7.919 5.141 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -7.176 9.783 3.883 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -9.159 9.247 5.109 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.356 10.174 4.479 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.733 11.497 4.445 1.00 0.00 O ATOM 0 H TYR A 96 -8.503 4.294 2.551 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.279 6.162 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.963 5.464 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.285 5.948 5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.872 8.152 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.408 7.196 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.550 10.512 3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.083 9.557 5.575 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.589 11.605 4.909 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.790 3.104 3.785 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.144 1.817 3.958 1.00 0.00 C ATOM 1399 C GLY A 97 -5.775 1.173 2.636 1.00 0.00 C ATOM 1400 O GLY A 97 -6.621 0.574 1.972 1.00 0.00 O ATOM 0 H GLY A 97 -7.782 3.121 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.245 1.943 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.808 1.152 4.510 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.509 1.299 2.251 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.030 0.727 0.998 1.00 0.00 C ATOM 1406 C LEU A 98 -3.216 -0.538 1.252 1.00 0.00 C ATOM 1407 O LEU A 98 -2.647 -0.717 2.329 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.183 1.749 0.239 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.693 1.290 -1.136 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.860 1.168 -2.104 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.648 2.254 -1.677 1.00 0.00 C ATOM 0 H LEU A 98 -3.796 1.792 2.789 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.897 0.463 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.767 2.661 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.317 2.006 0.849 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.232 0.308 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.493 0.841 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.575 0.439 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.349 2.136 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.310 1.913 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.084 3.249 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.800 2.292 -0.993 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.164 -1.411 0.252 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.419 -2.660 0.362 1.00 0.00 C ATOM 1425 C PHE A 99 -1.430 -2.805 -0.790 1.00 0.00 C ATOM 1426 O PHE A 99 -1.733 -2.452 -1.929 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.378 -3.851 0.379 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.940 -4.151 1.739 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.149 -4.723 2.721 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -5.263 -3.860 2.035 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.664 -5.000 3.973 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.785 -4.135 3.285 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.984 -4.705 4.255 1.00 0.00 C ATOM 0 H PHE A 99 -3.630 -1.276 -0.645 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.860 -2.640 1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.200 -3.655 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.855 -4.733 0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.117 -4.956 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.893 -3.413 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.036 -5.446 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.817 -3.905 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.389 -4.920 5.233 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.246 -3.326 -0.485 1.00 0.00 N ATOM 1444 CA ALA A 100 0.786 -3.516 -1.498 1.00 0.00 C ATOM 1445 C ALA A 100 1.744 -4.638 -1.103 1.00 0.00 C ATOM 1446 O ALA A 100 2.003 -4.855 0.081 1.00 0.00 O ATOM 1447 CB ALA A 100 1.551 -2.220 -1.719 1.00 0.00 C ATOM 0 H ALA A 100 0.022 -3.624 0.453 1.00 0.00 H new ATOM 0 HA ALA A 100 0.298 -3.802 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.318 -2.375 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.863 -1.444 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.021 -1.911 -0.785 1.00 0.00 H new ATOM 1453 N PRO A 101 2.287 -5.368 -2.093 1.00 0.00 N ATOM 1454 CA PRO A 101 3.220 -6.469 -1.837 1.00 0.00 C ATOM 1455 C PRO A 101 4.473 -6.001 -1.106 1.00 0.00 C ATOM 1456 O PRO A 101 5.048 -4.966 -1.442 1.00 0.00 O ATOM 1457 CB PRO A 101 3.583 -6.981 -3.237 1.00 0.00 C ATOM 1458 CG PRO A 101 2.515 -6.466 -4.138 1.00 0.00 C ATOM 1459 CD PRO A 101 2.036 -5.180 -3.532 1.00 0.00 C ATOM 0 HA PRO A 101 2.776 -7.232 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.564 -6.620 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.623 -8.070 -3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.901 -6.302 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.699 -7.183 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.581 -4.322 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.979 -5.008 -3.737 1.00 0.00 H new ATOM 1467 N VAL A 102 4.893 -6.770 -0.106 1.00 0.00 N ATOM 1468 CA VAL A 102 6.079 -6.431 0.672 1.00 0.00 C ATOM 1469 C VAL A 102 7.287 -6.203 -0.234 1.00 0.00 C ATOM 1470 O VAL A 102 7.994 -5.204 -0.101 1.00 0.00 O ATOM 1471 CB VAL A 102 6.418 -7.531 1.695 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.373 -7.575 2.798 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.535 -8.885 1.009 1.00 0.00 C ATOM 0 H VAL A 102 4.430 -7.631 0.184 1.00 0.00 H new ATOM 0 HA VAL A 102 5.850 -5.509 1.207 1.00 0.00 H new ATOM 0 HB VAL A 102 7.381 -7.294 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.630 -8.358 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.344 -6.613 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.395 -7.785 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.775 -9.648 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.589 -9.132 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.325 -8.846 0.259 1.00 0.00 H new ATOM 1483 N HIS A 103 7.514 -7.131 -1.158 1.00 0.00 N ATOM 1484 CA HIS A 103 8.634 -7.028 -2.087 1.00 0.00 C ATOM 1485 C HIS A 103 8.564 -5.728 -2.883 1.00 0.00 C ATOM 1486 O HIS A 103 9.587 -5.196 -3.312 1.00 0.00 O ATOM 1487 CB HIS A 103 8.648 -8.223 -3.041 1.00 0.00 C ATOM 1488 CG HIS A 103 7.310 -8.532 -3.637 1.00 0.00 C ATOM 1489 ND1 HIS A 103 6.393 -9.471 -3.292 1.00 0.00 N flip ATOM 1490 CD2 HIS A 103 6.773 -7.855 -4.710 1.00 0.00 C flip ATOM 1491 CE1 HIS A 103 5.298 -9.377 -4.145 1.00 0.00 C flip ATOM 1492 NE2 HIS A 103 5.575 -8.391 -4.978 1.00 0.00 N flip ATOM 0 H HIS A 103 6.937 -7.963 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 103 9.555 -7.028 -1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.358 -8.027 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.009 -9.101 -2.505 1.00 0.00 H new ATOM 0 HD1 HIS A 103 6.491 -10.140 -2.528 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.236 -7.037 -5.241 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.406 -9.985 -4.129 1.00 0.00 H new ATOM 1500 N LYS A 104 7.349 -5.221 -3.073 1.00 0.00 N ATOM 1501 CA LYS A 104 7.147 -3.981 -3.813 1.00 0.00 C ATOM 1502 C LYS A 104 7.321 -2.769 -2.903 1.00 0.00 C ATOM 1503 O LYS A 104 7.634 -1.672 -3.367 1.00 0.00 O ATOM 1504 CB LYS A 104 5.754 -3.965 -4.450 1.00 0.00 C ATOM 1505 CG LYS A 104 5.779 -4.103 -5.964 1.00 0.00 C ATOM 1506 CD LYS A 104 4.776 -5.138 -6.447 1.00 0.00 C ATOM 1507 CE LYS A 104 4.893 -5.370 -7.945 1.00 0.00 C ATOM 1508 NZ LYS A 104 6.292 -5.679 -8.351 1.00 0.00 N ATOM 0 H LYS A 104 6.491 -5.650 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 104 7.899 -3.929 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.161 -4.777 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.253 -3.034 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.557 -3.139 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.780 -4.387 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.938 -6.077 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.766 -4.807 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.240 -6.192 -8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.548 -4.484 -8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.284 -6.377 -9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.759 -4.809 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.812 -6.067 -7.538 1.00 0.00 H new ATOM 1522 N VAL A 105 7.118 -2.971 -1.604 1.00 0.00 N ATOM 1523 CA VAL A 105 7.254 -1.893 -0.633 1.00 0.00 C ATOM 1524 C VAL A 105 8.719 -1.644 -0.289 1.00 0.00 C ATOM 1525 O VAL A 105 9.439 -2.562 0.103 1.00 0.00 O ATOM 1526 CB VAL A 105 6.480 -2.202 0.662 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.468 -0.990 1.581 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.062 -2.654 0.343 1.00 0.00 C ATOM 0 H VAL A 105 6.859 -3.871 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 105 6.834 -0.999 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 105 6.987 -3.016 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.916 -1.228 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.492 -0.718 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.987 -0.154 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.531 -2.868 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.542 -1.864 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.096 -3.554 -0.271 1.00 0.00 H new ATOM 1538 N THR A 106 9.152 -0.396 -0.440 1.00 0.00 N ATOM 1539 CA THR A 106 10.530 -0.026 -0.145 1.00 0.00 C ATOM 1540 C THR A 106 10.626 0.695 1.196 1.00 0.00 C ATOM 1541 O THR A 106 9.648 1.272 1.673 1.00 0.00 O ATOM 1542 CB THR A 106 11.090 0.865 -1.256 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.554 0.494 -2.513 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.599 0.809 -1.365 1.00 0.00 C ATOM 0 H THR A 106 8.568 0.375 -0.765 1.00 0.00 H new ATOM 0 HA THR A 106 11.120 -0.941 -0.089 1.00 0.00 H new ATOM 0 HB THR A 106 10.799 1.880 -0.987 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.922 1.076 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.930 1.463 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.044 1.137 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.911 -0.214 -1.576 1.00 0.00 H new ATOM 1552 N LYS A 107 11.809 0.656 1.800 1.00 0.00 N ATOM 1553 CA LYS A 107 12.032 1.306 3.087 1.00 0.00 C ATOM 1554 C LYS A 107 12.640 2.693 2.897 1.00 0.00 C ATOM 1555 O LYS A 107 13.336 2.946 1.914 1.00 0.00 O ATOM 1556 CB LYS A 107 12.947 0.448 3.964 1.00 0.00 C ATOM 1557 CG LYS A 107 12.483 0.345 5.407 1.00 0.00 C ATOM 1558 CD LYS A 107 12.934 -0.959 6.046 1.00 0.00 C ATOM 1559 CE LYS A 107 14.161 -0.756 6.921 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.688 -2.046 7.447 1.00 0.00 N ATOM 0 H LYS A 107 12.628 0.182 1.420 1.00 0.00 H new ATOM 0 HA LYS A 107 11.068 1.417 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.010 -0.554 3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.953 0.866 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.877 1.186 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.396 0.414 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.122 -1.371 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.158 -1.689 5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.939 -0.254 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.908 -0.100 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.524 -1.864 8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.955 -2.513 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.953 -2.662 6.652 1.00 0.00 H new ATOM 1574 N ILE A 108 12.372 3.586 3.843 1.00 0.00 N ATOM 1575 CA ILE A 108 12.891 4.947 3.780 1.00 0.00 C ATOM 1576 C ILE A 108 13.368 5.417 5.150 1.00 0.00 C ATOM 1577 O ILE A 108 12.670 5.255 6.151 1.00 0.00 O ATOM 1578 CB ILE A 108 11.829 5.930 3.253 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.541 5.808 4.069 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.556 5.676 1.779 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.492 6.834 3.701 1.00 0.00 C ATOM 0 H ILE A 108 11.798 3.392 4.663 1.00 0.00 H new ATOM 0 HA ILE A 108 13.735 4.932 3.090 1.00 0.00 H new ATOM 0 HB ILE A 108 12.210 6.946 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.126 4.810 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.780 5.909 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.803 6.379 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.476 5.810 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.193 4.657 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.607 6.687 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.889 7.836 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.224 6.720 2.651 1.00 0.00 H new