USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 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 56 SER OG : rot -104:sc= 0.114 USER MOD Set 1.2: A 69 THR OG1 : rot 129:sc= 2.14 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 0.718 (180deg=0.434) USER MOD Single : A 48 MET CE :methyl 151:sc= -1.75! (180deg=-3.51!) USER MOD Single : A 52 SER OG : rot -1:sc= 1.03 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 0.288 (180deg=0.0302) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 84:sc= 0.456 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= -0.0228 (180deg=-0.164) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 2.04 (180deg=0.893) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -4.544 -8.214 0.415 1.00 0.00 N ATOM 601 CA LEU A 40 -4.622 -8.834 -0.900 1.00 0.00 C ATOM 602 C LEU A 40 -3.426 -9.750 -1.152 1.00 0.00 C ATOM 603 O LEU A 40 -3.320 -10.378 -2.206 1.00 0.00 O ATOM 604 CB LEU A 40 -4.751 -7.758 -1.987 1.00 0.00 C ATOM 605 CG LEU A 40 -3.767 -6.582 -1.907 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.403 -6.970 -2.455 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.320 -5.375 -2.655 1.00 0.00 C ATOM 0 HA LEU A 40 -5.514 -9.459 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.631 -8.238 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.764 -7.358 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.643 -6.316 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.727 -6.118 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.001 -7.800 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.502 -7.270 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.611 -4.550 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.477 -5.636 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.269 -5.075 -2.210 1.00 0.00 H new ATOM 619 N ILE A 41 -2.544 -9.838 -0.171 1.00 0.00 N ATOM 620 CA ILE A 41 -1.367 -10.687 -0.285 1.00 0.00 C ATOM 621 C ILE A 41 -1.719 -12.130 0.047 1.00 0.00 C ATOM 622 O ILE A 41 -2.191 -12.431 1.143 1.00 0.00 O ATOM 623 CB ILE A 41 -0.223 -10.204 0.640 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.156 -8.753 0.313 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.995 -11.119 0.520 1.00 0.00 C ATOM 626 CD1 ILE A 41 0.520 -8.534 -1.141 1.00 0.00 C ATOM 0 H ILE A 41 -2.619 -9.334 0.712 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.020 -10.626 -1.316 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.577 -10.244 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.678 -8.101 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.998 -8.457 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.786 -10.760 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.717 -12.134 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.352 -11.117 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.776 -7.486 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.374 -9.159 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.328 -8.798 -1.772 1.00 0.00 H new ATOM 638 N GLY A 42 -1.479 -13.017 -0.902 1.00 0.00 N ATOM 639 CA GLY A 42 -1.822 -14.408 -0.715 1.00 0.00 C ATOM 640 C GLY A 42 -3.038 -14.798 -1.524 1.00 0.00 C ATOM 641 O GLY A 42 -3.547 -15.910 -1.397 1.00 0.00 O ATOM 0 H GLY A 42 -1.051 -12.798 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.977 -15.033 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.012 -14.597 0.342 1.00 0.00 H new ATOM 645 N ARG A 43 -3.513 -13.877 -2.353 1.00 0.00 N ATOM 646 CA ARG A 43 -4.668 -14.140 -3.196 1.00 0.00 C ATOM 647 C ARG A 43 -4.287 -14.146 -4.672 1.00 0.00 C ATOM 648 O ARG A 43 -3.144 -13.846 -5.035 1.00 0.00 O ATOM 649 CB ARG A 43 -5.781 -13.122 -2.935 1.00 0.00 C ATOM 650 CG ARG A 43 -6.695 -13.517 -1.787 1.00 0.00 C ATOM 651 CD ARG A 43 -7.918 -12.618 -1.701 1.00 0.00 C ATOM 652 NE ARG A 43 -9.023 -13.278 -1.003 1.00 0.00 N ATOM 653 CZ ARG A 43 -9.908 -12.649 -0.234 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.814 -11.341 -0.031 1.00 0.00 N ATOM 655 NH2 ARG A 43 -10.894 -13.336 0.337 1.00 0.00 N ATOM 0 H ARG A 43 -3.116 -12.943 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.042 -15.131 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.334 -12.152 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.376 -13.003 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.013 -14.552 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.142 -13.468 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.657 -11.696 -1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.236 -12.338 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.121 -14.287 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.059 -10.810 -0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.497 -10.866 0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.970 -14.342 0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.574 -12.857 0.927 1.00 0.00 H new ATOM 669 N LYS A 44 -5.252 -14.499 -5.510 1.00 0.00 N ATOM 670 CA LYS A 44 -5.030 -14.612 -6.941 1.00 0.00 C ATOM 671 C LYS A 44 -5.110 -13.252 -7.626 1.00 0.00 C ATOM 672 O LYS A 44 -5.883 -12.380 -7.228 1.00 0.00 O ATOM 673 CB LYS A 44 -6.064 -15.556 -7.562 1.00 0.00 C ATOM 674 CG LYS A 44 -5.834 -15.812 -9.041 1.00 0.00 C ATOM 675 CD LYS A 44 -7.039 -16.462 -9.702 1.00 0.00 C ATOM 676 CE LYS A 44 -7.341 -17.834 -9.123 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.473 -18.492 -9.829 1.00 0.00 N ATOM 0 H LYS A 44 -6.205 -14.714 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.028 -15.014 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.044 -16.506 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.060 -15.134 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.611 -14.870 -9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.962 -16.454 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.910 -15.818 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.858 -16.553 -10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.453 -18.462 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.579 -17.738 -8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.420 -19.521 -9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.373 -18.135 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.418 -18.280 -10.846 1.00 0.00 H new ATOM 691 N GLY A 45 -4.298 -13.090 -8.651 1.00 0.00 N ATOM 692 CA GLY A 45 -4.366 -11.927 -9.495 1.00 0.00 C ATOM 693 C GLY A 45 -4.286 -12.327 -10.950 1.00 0.00 C ATOM 694 O GLY A 45 -3.923 -13.459 -11.268 1.00 0.00 O ATOM 0 H GLY A 45 -3.577 -13.761 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.296 -11.389 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.550 -11.246 -9.253 1.00 0.00 H new ATOM 698 N VAL A 46 -4.623 -11.412 -11.829 1.00 0.00 N ATOM 699 CA VAL A 46 -4.605 -11.681 -13.258 1.00 0.00 C ATOM 700 C VAL A 46 -3.559 -10.807 -13.947 1.00 0.00 C ATOM 701 O VAL A 46 -3.348 -9.654 -13.565 1.00 0.00 O ATOM 702 CB VAL A 46 -6.001 -11.448 -13.889 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.432 -9.999 -13.735 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.023 -11.868 -15.355 1.00 0.00 C ATOM 0 H VAL A 46 -4.916 -10.467 -11.582 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.341 -12.729 -13.402 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.715 -12.073 -13.353 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.415 -9.862 -14.186 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.480 -9.744 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.711 -9.350 -14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.016 -11.692 -15.769 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.289 -11.285 -15.912 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.780 -12.928 -15.434 1.00 0.00 H new ATOM 714 N VAL A 47 -2.903 -11.361 -14.952 1.00 0.00 N ATOM 715 CA VAL A 47 -1.869 -10.637 -15.679 1.00 0.00 C ATOM 716 C VAL A 47 -2.483 -9.824 -16.815 1.00 0.00 C ATOM 717 O VAL A 47 -3.130 -10.376 -17.707 1.00 0.00 O ATOM 718 CB VAL A 47 -0.810 -11.601 -16.253 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.324 -10.831 -16.910 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.273 -12.519 -15.167 1.00 0.00 C ATOM 0 H VAL A 47 -3.067 -12.311 -15.285 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.382 -9.964 -14.973 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.291 -12.215 -17.015 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.058 -11.532 -17.307 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.072 -10.222 -17.722 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.801 -10.186 -16.172 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.472 -13.190 -15.594 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.186 -11.921 -14.379 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.091 -13.105 -14.748 1.00 0.00 H new ATOM 730 N MET A 48 -2.282 -8.512 -16.772 1.00 0.00 N ATOM 731 CA MET A 48 -2.803 -7.624 -17.800 1.00 0.00 C ATOM 732 C MET A 48 -1.695 -7.198 -18.757 1.00 0.00 C ATOM 733 O MET A 48 -1.943 -6.925 -19.929 1.00 0.00 O ATOM 734 CB MET A 48 -3.452 -6.392 -17.160 1.00 0.00 C ATOM 735 CG MET A 48 -4.705 -6.693 -16.343 1.00 0.00 C ATOM 736 SD MET A 48 -6.228 -6.718 -17.322 1.00 0.00 S ATOM 737 CE MET A 48 -6.006 -8.172 -18.348 1.00 0.00 C ATOM 0 H MET A 48 -1.760 -8.040 -16.033 1.00 0.00 H new ATOM 0 HA MET A 48 -3.560 -8.165 -18.368 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.721 -5.905 -16.515 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.707 -5.681 -17.946 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.584 -7.659 -15.852 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.802 -5.945 -15.556 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.979 -8.598 -18.591 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.492 -7.893 -19.268 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.411 -8.910 -17.810 1.00 0.00 H new ATOM 747 N GLU A 49 -0.474 -7.146 -18.250 1.00 0.00 N ATOM 748 CA GLU A 49 0.680 -6.800 -19.068 1.00 0.00 C ATOM 749 C GLU A 49 1.762 -7.860 -18.894 1.00 0.00 C ATOM 750 O GLU A 49 1.972 -8.346 -17.782 1.00 0.00 O ATOM 751 CB GLU A 49 1.218 -5.417 -18.676 1.00 0.00 C ATOM 752 CG GLU A 49 2.372 -4.935 -19.540 1.00 0.00 C ATOM 753 CD GLU A 49 1.950 -4.663 -20.966 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.711 -5.632 -21.718 1.00 0.00 O ATOM 755 OE2 GLU A 49 1.856 -3.476 -21.345 1.00 0.00 O ATOM 0 H GLU A 49 -0.255 -7.339 -17.273 1.00 0.00 H new ATOM 0 HA GLU A 49 0.379 -6.764 -20.115 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.406 -4.692 -18.735 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.544 -5.446 -17.636 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.791 -4.026 -19.108 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.164 -5.684 -19.535 1.00 0.00 H new ATOM 763 N ALA A 50 2.433 -8.216 -19.990 1.00 0.00 N ATOM 764 CA ALA A 50 3.454 -9.265 -19.970 1.00 0.00 C ATOM 765 C ALA A 50 4.525 -8.988 -18.916 1.00 0.00 C ATOM 766 O ALA A 50 5.072 -7.889 -18.841 1.00 0.00 O ATOM 767 CB ALA A 50 4.089 -9.407 -21.345 1.00 0.00 C ATOM 0 H ALA A 50 2.287 -7.792 -20.906 1.00 0.00 H new ATOM 0 HA ALA A 50 2.964 -10.202 -19.705 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.847 -10.190 -21.317 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.323 -9.669 -22.074 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.553 -8.463 -21.631 1.00 0.00 H new ATOM 773 N ILE A 51 4.818 -9.996 -18.107 1.00 0.00 N ATOM 774 CA ILE A 51 5.782 -9.857 -17.026 1.00 0.00 C ATOM 775 C ILE A 51 7.091 -10.549 -17.387 1.00 0.00 C ATOM 776 O ILE A 51 7.088 -11.702 -17.822 1.00 0.00 O ATOM 777 CB ILE A 51 5.240 -10.458 -15.709 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.938 -9.764 -15.306 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.274 -10.337 -14.596 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.281 -10.367 -14.083 1.00 0.00 C ATOM 0 H ILE A 51 4.399 -10.923 -18.180 1.00 0.00 H new ATOM 0 HA ILE A 51 5.957 -8.791 -16.881 1.00 0.00 H new ATOM 0 HB ILE A 51 5.036 -11.516 -15.872 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.142 -8.710 -15.116 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.240 -9.808 -16.142 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.872 -10.766 -13.678 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.180 -10.873 -14.881 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.511 -9.286 -14.432 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.364 -9.823 -13.857 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.045 -11.413 -14.276 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.961 -10.299 -13.234 1.00 0.00 H new ATOM 792 N SER A 52 8.203 -9.848 -17.213 1.00 0.00 N ATOM 793 CA SER A 52 9.510 -10.424 -17.473 1.00 0.00 C ATOM 794 C SER A 52 10.416 -10.226 -16.260 1.00 0.00 C ATOM 795 O SER A 52 10.105 -9.427 -15.377 1.00 0.00 O ATOM 796 CB SER A 52 10.134 -9.792 -18.725 1.00 0.00 C ATOM 797 OG SER A 52 10.193 -8.378 -18.626 1.00 0.00 O ATOM 0 H SER A 52 8.224 -8.880 -16.893 1.00 0.00 H new ATOM 0 HA SER A 52 9.397 -11.493 -17.653 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.139 -10.189 -18.870 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.551 -10.071 -19.603 1.00 0.00 H new ATOM 0 HG SER A 52 9.804 -8.093 -17.773 1.00 0.00 H new ATOM 803 N PRO A 53 11.544 -10.950 -16.196 1.00 0.00 N ATOM 804 CA PRO A 53 12.481 -10.834 -15.085 1.00 0.00 C ATOM 805 C PRO A 53 13.339 -9.575 -15.200 1.00 0.00 C ATOM 806 O PRO A 53 13.990 -9.160 -14.239 1.00 0.00 O ATOM 807 CB PRO A 53 13.338 -12.097 -15.204 1.00 0.00 C ATOM 808 CG PRO A 53 13.256 -12.511 -16.636 1.00 0.00 C ATOM 809 CD PRO A 53 11.989 -11.927 -17.207 1.00 0.00 C ATOM 0 HA PRO A 53 11.977 -10.749 -14.122 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.369 -11.898 -14.913 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.967 -12.884 -14.548 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.125 -12.154 -17.188 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.249 -13.598 -16.721 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.171 -11.448 -18.169 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.236 -12.698 -17.372 1.00 0.00 H new ATOM 817 N GLN A 54 13.324 -8.964 -16.382 1.00 0.00 N ATOM 818 CA GLN A 54 14.093 -7.749 -16.633 1.00 0.00 C ATOM 819 C GLN A 54 13.249 -6.512 -16.353 1.00 0.00 C ATOM 820 O GLN A 54 13.760 -5.490 -15.894 1.00 0.00 O ATOM 821 CB GLN A 54 14.592 -7.717 -18.080 1.00 0.00 C ATOM 822 CG GLN A 54 15.528 -8.858 -18.427 1.00 0.00 C ATOM 823 CD GLN A 54 15.954 -8.817 -19.878 1.00 0.00 C ATOM 824 OE1 GLN A 54 15.305 -9.405 -20.742 1.00 0.00 O ATOM 825 NE2 GLN A 54 17.035 -8.109 -20.160 1.00 0.00 N ATOM 0 H GLN A 54 12.785 -9.292 -17.184 1.00 0.00 H new ATOM 0 HA GLN A 54 14.952 -7.750 -15.962 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.734 -7.746 -18.752 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.104 -6.772 -18.258 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.410 -8.811 -17.788 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.035 -9.808 -18.220 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.544 -7.637 -19.413 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.359 -8.035 -21.124 1.00 0.00 H new ATOM 834 N ASN A 55 11.955 -6.618 -16.625 1.00 0.00 N ATOM 835 CA ASN A 55 11.030 -5.510 -16.428 1.00 0.00 C ATOM 836 C ASN A 55 9.688 -6.034 -15.935 1.00 0.00 C ATOM 837 O ASN A 55 9.091 -6.917 -16.558 1.00 0.00 O ATOM 838 CB ASN A 55 10.865 -4.726 -17.735 1.00 0.00 C ATOM 839 CG ASN A 55 9.924 -3.538 -17.609 1.00 0.00 C ATOM 840 OD1 ASN A 55 8.739 -3.630 -17.922 1.00 0.00 O ATOM 841 ND2 ASN A 55 10.450 -2.413 -17.147 1.00 0.00 N ATOM 0 H ASN A 55 11.520 -7.467 -16.985 1.00 0.00 H new ATOM 0 HA ASN A 55 11.433 -4.835 -15.673 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.842 -4.373 -18.065 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.491 -5.397 -18.508 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.866 -1.583 -17.040 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.438 -2.377 -16.898 1.00 0.00 H new ATOM 848 N SER A 56 9.240 -5.507 -14.803 1.00 0.00 N ATOM 849 CA SER A 56 8.005 -5.955 -14.178 1.00 0.00 C ATOM 850 C SER A 56 6.795 -5.643 -15.052 1.00 0.00 C ATOM 851 O SER A 56 6.797 -4.684 -15.827 1.00 0.00 O ATOM 852 CB SER A 56 7.835 -5.288 -12.817 1.00 0.00 C ATOM 853 OG SER A 56 9.032 -5.353 -12.062 1.00 0.00 O ATOM 0 H SER A 56 9.719 -4.763 -14.296 1.00 0.00 H new ATOM 0 HA SER A 56 8.069 -7.036 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.544 -4.246 -12.953 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.029 -5.775 -12.268 1.00 0.00 H new ATOM 0 HG SER A 56 8.947 -6.046 -11.374 1.00 0.00 H new ATOM 859 N GLY A 57 5.760 -6.448 -14.900 1.00 0.00 N ATOM 860 CA GLY A 57 4.558 -6.271 -15.684 1.00 0.00 C ATOM 861 C GLY A 57 3.428 -5.701 -14.858 1.00 0.00 C ATOM 862 O GLY A 57 3.655 -5.176 -13.766 1.00 0.00 O ATOM 0 H GLY A 57 5.730 -7.227 -14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.766 -5.607 -16.523 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.254 -7.230 -16.104 1.00 0.00 H new ATOM 866 N LEU A 58 2.209 -5.829 -15.359 1.00 0.00 N ATOM 867 CA LEU A 58 1.047 -5.267 -14.689 1.00 0.00 C ATOM 868 C LEU A 58 0.023 -6.345 -14.388 1.00 0.00 C ATOM 869 O LEU A 58 -0.439 -7.046 -15.290 1.00 0.00 O ATOM 870 CB LEU A 58 0.399 -4.178 -15.549 1.00 0.00 C ATOM 871 CG LEU A 58 1.241 -2.924 -15.763 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.506 -1.929 -16.649 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.598 -2.290 -14.427 1.00 0.00 C ATOM 0 H LEU A 58 1.999 -6.318 -16.229 1.00 0.00 H new ATOM 0 HA LEU A 58 1.387 -4.828 -13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.158 -4.604 -16.523 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.544 -3.887 -15.086 1.00 0.00 H new ATOM 0 HG LEU A 58 2.164 -3.211 -16.266 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.123 -1.042 -16.789 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.302 -2.386 -17.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.434 -1.646 -16.176 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.199 -1.397 -14.597 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.685 -2.018 -13.898 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.167 -3.001 -13.827 1.00 0.00 H new ATOM 885 N VAL A 59 -0.325 -6.477 -13.121 1.00 0.00 N ATOM 886 CA VAL A 59 -1.363 -7.405 -12.712 1.00 0.00 C ATOM 887 C VAL A 59 -2.506 -6.654 -12.048 1.00 0.00 C ATOM 888 O VAL A 59 -2.295 -5.618 -11.412 1.00 0.00 O ATOM 889 CB VAL A 59 -0.837 -8.486 -11.742 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.180 -9.378 -12.433 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.240 -7.853 -10.493 1.00 0.00 C ATOM 0 H VAL A 59 0.097 -5.952 -12.356 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.714 -7.905 -13.615 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.681 -9.104 -11.435 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.538 -10.132 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.287 -9.868 -13.287 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.020 -8.774 -12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.123 -8.635 -9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.589 -7.203 -10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.003 -7.266 -9.982 1.00 0.00 H new ATOM 901 N LYS A 60 -3.712 -7.166 -12.207 1.00 0.00 N ATOM 902 CA LYS A 60 -4.876 -6.551 -11.597 1.00 0.00 C ATOM 903 C LYS A 60 -5.276 -7.324 -10.347 1.00 0.00 C ATOM 904 O LYS A 60 -5.872 -8.400 -10.429 1.00 0.00 O ATOM 905 CB LYS A 60 -6.040 -6.486 -12.590 1.00 0.00 C ATOM 906 CG LYS A 60 -7.306 -5.864 -12.016 1.00 0.00 C ATOM 907 CD LYS A 60 -8.355 -5.653 -13.092 1.00 0.00 C ATOM 908 CE LYS A 60 -9.648 -5.094 -12.518 1.00 0.00 C ATOM 909 NZ LYS A 60 -10.345 -6.079 -11.644 1.00 0.00 N ATOM 0 H LYS A 60 -3.911 -8.005 -12.752 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.623 -5.530 -11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.729 -5.912 -13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.267 -7.495 -12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.708 -6.509 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.065 -4.909 -11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.968 -4.970 -13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.559 -6.600 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.430 -4.192 -11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.310 -4.802 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.324 -5.767 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.351 -7.010 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.848 -6.148 -10.733 1.00 0.00 H new ATOM 923 N VAL A 61 -4.916 -6.781 -9.196 1.00 0.00 N ATOM 924 CA VAL A 61 -5.246 -7.399 -7.922 1.00 0.00 C ATOM 925 C VAL A 61 -6.470 -6.717 -7.332 1.00 0.00 C ATOM 926 O VAL A 61 -6.438 -5.516 -7.046 1.00 0.00 O ATOM 927 CB VAL A 61 -4.073 -7.320 -6.921 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.404 -8.075 -5.642 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.797 -7.863 -7.546 1.00 0.00 C ATOM 0 H VAL A 61 -4.393 -5.909 -9.118 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.453 -8.453 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.913 -6.272 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.564 -8.006 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.290 -7.638 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.596 -9.122 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.982 -7.798 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.947 -8.904 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.546 -7.276 -8.430 1.00 0.00 H new ATOM 939 N ASP A 62 -7.544 -7.489 -7.180 1.00 0.00 N ATOM 940 CA ASP A 62 -8.842 -6.965 -6.749 1.00 0.00 C ATOM 941 C ASP A 62 -9.395 -6.023 -7.814 1.00 0.00 C ATOM 942 O ASP A 62 -10.162 -6.436 -8.684 1.00 0.00 O ATOM 943 CB ASP A 62 -8.740 -6.255 -5.387 1.00 0.00 C ATOM 944 CG ASP A 62 -10.077 -5.720 -4.899 1.00 0.00 C ATOM 945 OD1 ASP A 62 -10.378 -4.535 -5.151 1.00 0.00 O ATOM 946 OD2 ASP A 62 -10.827 -6.479 -4.248 1.00 0.00 O ATOM 0 H ASP A 62 -7.541 -8.494 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.528 -7.803 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.341 -6.951 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.031 -5.431 -5.464 1.00 0.00 H new ATOM 952 N GLY A 63 -8.969 -4.773 -7.768 1.00 0.00 N ATOM 953 CA GLY A 63 -9.378 -3.810 -8.764 1.00 0.00 C ATOM 954 C GLY A 63 -8.275 -2.827 -9.089 1.00 0.00 C ATOM 955 O GLY A 63 -8.477 -1.889 -9.860 1.00 0.00 O ATOM 0 H GLY A 63 -8.342 -4.406 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.677 -4.333 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.253 -3.268 -8.406 1.00 0.00 H new ATOM 959 N GLU A 64 -7.099 -3.051 -8.515 1.00 0.00 N ATOM 960 CA GLU A 64 -5.982 -2.140 -8.682 1.00 0.00 C ATOM 961 C GLU A 64 -4.942 -2.752 -9.606 1.00 0.00 C ATOM 962 O GLU A 64 -4.709 -3.961 -9.574 1.00 0.00 O ATOM 963 CB GLU A 64 -5.344 -1.826 -7.328 1.00 0.00 C ATOM 964 CG GLU A 64 -6.335 -1.434 -6.245 1.00 0.00 C ATOM 965 CD GLU A 64 -7.280 -0.337 -6.685 1.00 0.00 C ATOM 966 OE1 GLU A 64 -8.491 -0.601 -6.777 1.00 0.00 O ATOM 967 OE2 GLU A 64 -6.811 0.788 -6.953 1.00 0.00 O ATOM 0 H GLU A 64 -6.898 -3.860 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.354 -1.215 -9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.784 -2.699 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.626 -1.016 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.914 -2.311 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.789 -1.104 -5.361 1.00 0.00 H new ATOM 975 N THR A 65 -4.336 -1.921 -10.436 1.00 0.00 N ATOM 976 CA THR A 65 -3.272 -2.369 -11.312 1.00 0.00 C ATOM 977 C THR A 65 -1.926 -2.158 -10.629 1.00 0.00 C ATOM 978 O THR A 65 -1.527 -1.024 -10.350 1.00 0.00 O ATOM 979 CB THR A 65 -3.289 -1.609 -12.647 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.644 -1.430 -13.087 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.504 -2.365 -13.711 1.00 0.00 C ATOM 0 H THR A 65 -4.565 -0.931 -10.520 1.00 0.00 H new ATOM 0 HA THR A 65 -3.427 -3.428 -11.518 1.00 0.00 H new ATOM 0 HB THR A 65 -2.821 -0.637 -12.494 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.650 -0.943 -13.938 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.530 -1.808 -14.647 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.470 -2.481 -13.387 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.949 -3.348 -13.862 1.00 0.00 H new ATOM 989 N TRP A 66 -1.241 -3.249 -10.345 1.00 0.00 N ATOM 990 CA TRP A 66 0.032 -3.195 -9.641 1.00 0.00 C ATOM 991 C TRP A 66 1.162 -3.677 -10.533 1.00 0.00 C ATOM 992 O TRP A 66 0.951 -4.495 -11.432 1.00 0.00 O ATOM 993 CB TRP A 66 -0.004 -4.061 -8.379 1.00 0.00 C ATOM 994 CG TRP A 66 -0.991 -3.608 -7.351 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.264 -4.064 -7.183 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.779 -2.617 -6.340 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.859 -3.419 -6.128 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.970 -2.523 -5.595 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.298 -1.798 -5.992 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.108 -1.646 -4.522 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.158 -0.928 -4.928 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.037 -0.858 -4.204 1.00 0.00 C ATOM 0 H TRP A 66 -1.545 -4.191 -10.592 1.00 0.00 H new ATOM 0 HA TRP A 66 0.206 -2.156 -9.362 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.238 -5.087 -8.663 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.990 -4.072 -7.932 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.736 -4.822 -7.791 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.809 -3.580 -5.795 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.224 -1.844 -6.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.029 -1.590 -3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.985 -0.291 -4.650 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.115 -0.168 -3.377 1.00 0.00 H new ATOM 1013 N ARG A 67 2.360 -3.163 -10.289 1.00 0.00 N ATOM 1014 CA ARG A 67 3.546 -3.692 -10.933 1.00 0.00 C ATOM 1015 C ARG A 67 3.922 -5.003 -10.276 1.00 0.00 C ATOM 1016 O ARG A 67 3.982 -5.100 -9.052 1.00 0.00 O ATOM 1017 CB ARG A 67 4.725 -2.729 -10.837 1.00 0.00 C ATOM 1018 CG ARG A 67 4.641 -1.531 -11.768 1.00 0.00 C ATOM 1019 CD ARG A 67 3.636 -0.504 -11.283 1.00 0.00 C ATOM 1020 NE ARG A 67 3.967 0.838 -11.763 1.00 0.00 N ATOM 1021 CZ ARG A 67 3.317 1.950 -11.423 1.00 0.00 C ATOM 1022 NH1 ARG A 67 2.241 1.900 -10.638 1.00 0.00 N ATOM 1023 NH2 ARG A 67 3.743 3.117 -11.890 1.00 0.00 N ATOM 0 H ARG A 67 2.532 -2.385 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 67 3.318 -3.838 -11.989 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.801 -2.370 -9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.643 -3.276 -11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.623 -1.066 -11.850 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.363 -1.867 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.639 -0.779 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.609 -0.506 -10.193 1.00 0.00 H new ATOM 0 HE ARG A 67 4.754 0.929 -12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.905 1.002 -10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.753 2.760 -10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.559 3.155 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.255 3.976 -11.638 1.00 0.00 H new ATOM 1037 N ALA A 68 4.172 -6.004 -11.084 1.00 0.00 N ATOM 1038 CA ALA A 68 4.489 -7.323 -10.567 1.00 0.00 C ATOM 1039 C ALA A 68 5.699 -7.905 -11.265 1.00 0.00 C ATOM 1040 O ALA A 68 5.860 -7.760 -12.476 1.00 0.00 O ATOM 1041 CB ALA A 68 3.297 -8.251 -10.721 1.00 0.00 C ATOM 0 H ALA A 68 4.163 -5.936 -12.102 1.00 0.00 H new ATOM 0 HA ALA A 68 4.724 -7.222 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.550 -9.236 -10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.448 -7.848 -10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.036 -8.336 -11.776 1.00 0.00 H new ATOM 1047 N THR A 69 6.544 -8.562 -10.498 1.00 0.00 N ATOM 1048 CA THR A 69 7.732 -9.185 -11.037 1.00 0.00 C ATOM 1049 C THR A 69 7.682 -10.689 -10.797 1.00 0.00 C ATOM 1050 O THR A 69 6.947 -11.160 -9.924 1.00 0.00 O ATOM 1051 CB THR A 69 9.003 -8.608 -10.390 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.773 -7.252 -9.979 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.168 -8.642 -11.362 1.00 0.00 C ATOM 0 H THR A 69 6.427 -8.678 -9.491 1.00 0.00 H new ATOM 0 HA THR A 69 7.764 -8.981 -12.107 1.00 0.00 H new ATOM 0 HB THR A 69 9.248 -9.221 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.044 -7.143 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.055 -8.229 -10.882 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.363 -9.672 -11.660 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.924 -8.049 -12.244 1.00 0.00 H new ATOM 1061 N SER A 70 8.457 -11.435 -11.568 1.00 0.00 N ATOM 1062 CA SER A 70 8.495 -12.878 -11.449 1.00 0.00 C ATOM 1063 C SER A 70 9.807 -13.396 -12.021 1.00 0.00 C ATOM 1064 O SER A 70 10.542 -12.649 -12.675 1.00 0.00 O ATOM 1065 CB SER A 70 7.307 -13.501 -12.186 1.00 0.00 C ATOM 1066 OG SER A 70 7.144 -14.866 -11.839 1.00 0.00 O ATOM 0 H SER A 70 9.072 -11.057 -12.288 1.00 0.00 H new ATOM 0 HA SER A 70 8.428 -13.157 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.397 -12.951 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.457 -13.412 -13.262 1.00 0.00 H new ATOM 0 HG SER A 70 6.625 -14.933 -11.010 1.00 0.00 H new ATOM 1072 N GLY A 71 10.103 -14.663 -11.768 1.00 0.00 N ATOM 1073 CA GLY A 71 11.322 -15.260 -12.279 1.00 0.00 C ATOM 1074 C GLY A 71 11.125 -15.851 -13.659 1.00 0.00 C ATOM 1075 O GLY A 71 12.085 -16.209 -14.339 1.00 0.00 O ATOM 0 H GLY A 71 9.519 -15.291 -11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.108 -14.506 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.659 -16.039 -11.595 1.00 0.00 H new ATOM 1079 N THR A 72 9.872 -15.948 -14.072 1.00 0.00 N ATOM 1080 CA THR A 72 9.538 -16.500 -15.374 1.00 0.00 C ATOM 1081 C THR A 72 8.806 -15.453 -16.213 1.00 0.00 C ATOM 1082 O THR A 72 8.389 -14.416 -15.693 1.00 0.00 O ATOM 1083 CB THR A 72 8.652 -17.751 -15.227 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.944 -18.410 -13.987 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.884 -18.719 -16.378 1.00 0.00 C ATOM 0 H THR A 72 9.067 -15.650 -13.522 1.00 0.00 H new ATOM 0 HA THR A 72 10.465 -16.784 -15.872 1.00 0.00 H new ATOM 0 HB THR A 72 7.609 -17.434 -15.241 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.377 -19.204 -13.897 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.247 -19.594 -16.251 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.643 -18.228 -17.321 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.929 -19.029 -16.388 1.00 0.00 H new ATOM 1093 N VAL A 73 8.657 -15.721 -17.502 1.00 0.00 N ATOM 1094 CA VAL A 73 7.946 -14.817 -18.391 1.00 0.00 C ATOM 1095 C VAL A 73 6.455 -15.140 -18.374 1.00 0.00 C ATOM 1096 O VAL A 73 6.048 -16.254 -18.701 1.00 0.00 O ATOM 1097 CB VAL A 73 8.480 -14.902 -19.837 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.773 -13.893 -20.732 1.00 0.00 C ATOM 1099 CG2 VAL A 73 9.987 -14.681 -19.866 1.00 0.00 C ATOM 0 H VAL A 73 9.020 -16.559 -17.955 1.00 0.00 H new ATOM 0 HA VAL A 73 8.109 -13.801 -18.032 1.00 0.00 H new ATOM 0 HB VAL A 73 8.273 -15.901 -20.219 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.164 -13.970 -21.746 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.703 -14.100 -20.739 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.945 -12.886 -20.352 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.344 -14.745 -20.894 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.218 -13.695 -19.462 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.478 -15.445 -19.263 1.00 0.00 H new ATOM 1109 N LEU A 74 5.651 -14.174 -17.972 1.00 0.00 N ATOM 1110 CA LEU A 74 4.217 -14.388 -17.844 1.00 0.00 C ATOM 1111 C LEU A 74 3.468 -13.608 -18.916 1.00 0.00 C ATOM 1112 O LEU A 74 3.749 -12.429 -19.139 1.00 0.00 O ATOM 1113 CB LEU A 74 3.749 -13.957 -16.452 1.00 0.00 C ATOM 1114 CG LEU A 74 4.551 -14.542 -15.286 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.003 -14.042 -13.962 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.537 -16.062 -15.322 1.00 0.00 C ATOM 0 H LEU A 74 5.963 -13.234 -17.728 1.00 0.00 H new ATOM 0 HA LEU A 74 4.006 -15.449 -17.977 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.791 -12.869 -16.392 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.704 -14.242 -16.333 1.00 0.00 H new ATOM 0 HG LEU A 74 5.584 -14.209 -15.387 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.584 -14.467 -13.144 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.070 -12.955 -13.928 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.961 -14.345 -13.862 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.114 -16.451 -14.483 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.509 -16.418 -15.252 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.978 -16.408 -16.257 1.00 0.00 H new ATOM 1128 N ASP A 75 2.530 -14.266 -19.584 1.00 0.00 N ATOM 1129 CA ASP A 75 1.774 -13.620 -20.651 1.00 0.00 C ATOM 1130 C ASP A 75 0.461 -13.073 -20.106 1.00 0.00 C ATOM 1131 O ASP A 75 0.111 -13.303 -18.947 1.00 0.00 O ATOM 1132 CB ASP A 75 1.508 -14.601 -21.798 1.00 0.00 C ATOM 1133 CG ASP A 75 1.042 -13.924 -23.073 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -0.168 -13.980 -23.374 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.884 -13.327 -23.778 1.00 0.00 O ATOM 0 H ASP A 75 2.275 -15.238 -19.409 1.00 0.00 H new ATOM 0 HA ASP A 75 2.366 -12.792 -21.041 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.419 -15.162 -22.005 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.754 -15.322 -21.482 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.268 -12.373 -20.950 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.509 -11.721 -20.548 1.00 0.00 C ATOM 1143 C VAL A 76 -2.653 -12.730 -20.471 1.00 0.00 C ATOM 1144 O VAL A 76 -2.749 -13.646 -21.289 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.879 -10.581 -21.530 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.161 -9.875 -21.103 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.729 -9.587 -21.641 1.00 0.00 C ATOM 0 H VAL A 76 -0.023 -12.237 -21.931 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.351 -11.292 -19.558 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.057 -11.023 -22.510 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.393 -9.081 -21.813 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.981 -10.592 -21.081 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.027 -9.446 -20.110 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.002 -8.791 -22.334 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.522 -9.159 -20.660 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.160 -10.099 -22.008 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.508 -12.567 -19.467 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.645 -13.447 -19.315 1.00 0.00 C ATOM 1159 C GLY A 77 -4.371 -14.570 -18.340 1.00 0.00 C ATOM 1160 O GLY A 77 -5.266 -15.350 -18.007 1.00 0.00 O ATOM 0 H GLY A 77 -3.431 -11.839 -18.756 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.505 -12.871 -18.972 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.910 -13.867 -20.285 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.125 -14.659 -17.890 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.733 -15.664 -16.934 1.00 0.00 C ATOM 1166 C GLU A 78 -3.194 -15.314 -15.532 1.00 0.00 C ATOM 1167 O GLU A 78 -3.579 -14.176 -15.247 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.226 -15.824 -16.935 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.693 -16.516 -18.162 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.337 -17.864 -18.405 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -1.320 -18.716 -17.486 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.859 -18.083 -19.514 1.00 0.00 O ATOM 0 H GLU A 78 -2.370 -14.038 -18.180 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.209 -16.599 -17.230 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.765 -14.840 -16.854 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.929 -16.389 -16.052 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.856 -15.879 -19.032 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.384 -16.647 -18.060 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.107 -16.299 -14.658 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.480 -16.135 -13.262 1.00 0.00 C ATOM 1182 C GLU A 79 -2.253 -16.322 -12.392 1.00 0.00 C ATOM 1183 O GLU A 79 -1.540 -17.320 -12.522 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.553 -17.149 -12.861 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.803 -17.093 -13.723 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.888 -18.035 -13.244 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.813 -17.579 -12.542 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -6.826 -19.240 -13.567 1.00 0.00 O ATOM 0 H GLU A 79 -2.776 -17.235 -14.893 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.886 -15.133 -13.124 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.130 -18.152 -12.916 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.832 -16.977 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.189 -16.074 -13.729 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.541 -17.341 -14.752 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.994 -15.368 -11.515 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.825 -15.436 -10.648 1.00 0.00 C ATOM 1198 C VAL A 80 -1.219 -15.330 -9.185 1.00 0.00 C ATOM 1199 O VAL A 80 -2.288 -14.831 -8.856 1.00 0.00 O ATOM 1200 CB VAL A 80 0.197 -14.325 -10.975 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.779 -14.527 -12.362 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.441 -12.945 -10.857 1.00 0.00 C ATOM 0 H VAL A 80 -2.573 -14.539 -11.383 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.361 -16.405 -10.830 1.00 0.00 H new ATOM 0 HB VAL A 80 1.007 -14.386 -10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.497 -13.735 -12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.281 -15.493 -12.409 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.022 -14.498 -13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.299 -12.180 -11.092 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.275 -12.869 -11.554 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.804 -12.798 -9.840 1.00 0.00 H new ATOM 1212 N SER A 81 -0.360 -15.834 -8.321 1.00 0.00 N ATOM 1213 CA SER A 81 -0.540 -15.693 -6.887 1.00 0.00 C ATOM 1214 C SER A 81 0.465 -14.690 -6.336 1.00 0.00 C ATOM 1215 O SER A 81 1.666 -14.799 -6.593 1.00 0.00 O ATOM 1216 CB SER A 81 -0.367 -17.046 -6.197 1.00 0.00 C ATOM 1217 OG SER A 81 -1.283 -17.995 -6.711 1.00 0.00 O ATOM 0 H SER A 81 0.478 -16.350 -8.589 1.00 0.00 H new ATOM 0 HA SER A 81 -1.549 -15.329 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.653 -17.404 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.518 -16.933 -5.123 1.00 0.00 H new ATOM 0 HG SER A 81 -1.154 -18.854 -6.257 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.030 -13.702 -5.606 1.00 0.00 N ATOM 1224 CA VAL A 82 0.834 -12.695 -5.007 1.00 0.00 C ATOM 1225 C VAL A 82 1.418 -13.224 -3.705 1.00 0.00 C ATOM 1226 O VAL A 82 0.699 -13.387 -2.718 1.00 0.00 O ATOM 1227 CB VAL A 82 0.070 -11.384 -4.727 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.019 -10.297 -4.241 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.689 -10.922 -5.964 1.00 0.00 C ATOM 0 H VAL A 82 -1.024 -13.576 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 82 1.633 -12.480 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.656 -11.580 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.458 -9.382 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.505 -10.623 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.775 -10.106 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.219 -9.996 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.014 -10.750 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.406 -11.689 -6.259 1.00 0.00 H new ATOM 1239 N LYS A 83 2.714 -13.494 -3.708 1.00 0.00 N ATOM 1240 CA LYS A 83 3.369 -14.097 -2.569 1.00 0.00 C ATOM 1241 C LYS A 83 3.880 -13.059 -1.578 1.00 0.00 C ATOM 1242 O LYS A 83 3.742 -13.237 -0.367 1.00 0.00 O ATOM 1243 CB LYS A 83 4.515 -14.971 -3.042 1.00 0.00 C ATOM 1244 CG LYS A 83 4.055 -16.256 -3.705 1.00 0.00 C ATOM 1245 CD LYS A 83 5.224 -17.181 -3.951 1.00 0.00 C ATOM 1246 CE LYS A 83 4.804 -18.440 -4.689 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.752 -19.195 -3.956 1.00 0.00 N ATOM 0 H LYS A 83 3.333 -13.301 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 83 2.628 -14.703 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.127 -14.406 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.151 -15.216 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.319 -16.753 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.562 -16.027 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.985 -16.658 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.678 -17.453 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.434 -18.173 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.674 -19.081 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.616 -20.124 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.044 -19.326 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.859 -18.663 -3.985 1.00 0.00 H new ATOM 1261 N ALA A 84 4.463 -11.978 -2.082 1.00 0.00 N ATOM 1262 CA ALA A 84 5.068 -10.974 -1.211 1.00 0.00 C ATOM 1263 C ALA A 84 5.171 -9.620 -1.904 1.00 0.00 C ATOM 1264 O ALA A 84 4.811 -9.479 -3.075 1.00 0.00 O ATOM 1265 CB ALA A 84 6.445 -11.436 -0.751 1.00 0.00 C ATOM 0 H ALA A 84 4.530 -11.774 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 84 4.421 -10.855 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.885 -10.679 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.350 -12.373 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.087 -11.588 -1.619 1.00 0.00 H new ATOM 1271 N ILE A 85 5.670 -8.630 -1.173 1.00 0.00 N ATOM 1272 CA ILE A 85 5.855 -7.286 -1.704 1.00 0.00 C ATOM 1273 C ILE A 85 7.328 -6.908 -1.622 1.00 0.00 C ATOM 1274 O ILE A 85 7.911 -6.912 -0.538 1.00 0.00 O ATOM 1275 CB ILE A 85 5.041 -6.239 -0.911 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.607 -6.723 -0.684 1.00 0.00 C ATOM 1277 CG2 ILE A 85 5.040 -4.906 -1.645 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.783 -5.794 0.184 1.00 0.00 C ATOM 0 H ILE A 85 5.956 -8.736 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 85 5.507 -7.290 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 85 5.513 -6.104 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.114 -6.837 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.634 -7.710 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.463 -4.177 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.065 -4.551 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.592 -5.034 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.779 -6.201 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.253 -5.699 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.724 -4.813 -0.287 1.00 0.00 H new ATOM 1290 N GLU A 86 7.927 -6.575 -2.757 1.00 0.00 N ATOM 1291 CA GLU A 86 9.354 -6.278 -2.802 1.00 0.00 C ATOM 1292 C GLU A 86 9.604 -4.777 -2.719 1.00 0.00 C ATOM 1293 O GLU A 86 10.738 -4.313 -2.835 1.00 0.00 O ATOM 1294 CB GLU A 86 9.973 -6.855 -4.078 1.00 0.00 C ATOM 1295 CG GLU A 86 9.364 -6.312 -5.360 1.00 0.00 C ATOM 1296 CD GLU A 86 10.002 -6.898 -6.603 1.00 0.00 C ATOM 1297 OE1 GLU A 86 9.301 -7.577 -7.377 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.216 -6.682 -6.810 1.00 0.00 O ATOM 0 H GLU A 86 7.450 -6.504 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 86 9.828 -6.745 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.042 -6.644 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.862 -7.939 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.295 -6.526 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.472 -5.227 -5.378 1.00 0.00 H new ATOM 1306 N GLY A 87 8.539 -4.030 -2.502 1.00 0.00 N ATOM 1307 CA GLY A 87 8.638 -2.588 -2.424 1.00 0.00 C ATOM 1308 C GLY A 87 7.453 -1.917 -3.066 1.00 0.00 C ATOM 1309 O GLY A 87 6.347 -1.940 -2.527 1.00 0.00 O ATOM 0 H GLY A 87 7.596 -4.399 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.708 -2.283 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.554 -2.258 -2.915 1.00 0.00 H new ATOM 1313 N VAL A 88 7.685 -1.327 -4.223 1.00 0.00 N ATOM 1314 CA VAL A 88 6.614 -0.727 -5.010 1.00 0.00 C ATOM 1315 C VAL A 88 6.120 -1.726 -6.048 1.00 0.00 C ATOM 1316 O VAL A 88 5.227 -1.439 -6.842 1.00 0.00 O ATOM 1317 CB VAL A 88 7.066 0.577 -5.707 1.00 0.00 C ATOM 1318 CG1 VAL A 88 7.449 1.625 -4.674 1.00 0.00 C ATOM 1319 CG2 VAL A 88 8.220 0.315 -6.664 1.00 0.00 C ATOM 0 H VAL A 88 8.610 -1.248 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 88 5.805 -0.469 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 88 6.229 0.958 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.765 2.537 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.590 1.842 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.268 1.249 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.517 1.249 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.065 -0.096 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.905 -0.397 -7.427 1.00 0.00 H new ATOM 1329 N LYS A 89 6.720 -2.907 -6.021 1.00 0.00 N ATOM 1330 CA LYS A 89 6.354 -3.985 -6.918 1.00 0.00 C ATOM 1331 C LYS A 89 5.907 -5.197 -6.113 1.00 0.00 C ATOM 1332 O LYS A 89 6.253 -5.331 -4.934 1.00 0.00 O ATOM 1333 CB LYS A 89 7.544 -4.366 -7.795 1.00 0.00 C ATOM 1334 CG LYS A 89 8.104 -3.210 -8.606 1.00 0.00 C ATOM 1335 CD LYS A 89 9.364 -3.613 -9.356 1.00 0.00 C ATOM 1336 CE LYS A 89 10.510 -3.947 -8.414 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.709 -4.411 -9.159 1.00 0.00 N ATOM 0 H LYS A 89 7.474 -3.142 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 89 5.535 -3.650 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.334 -4.770 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.242 -5.162 -8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.352 -2.864 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.326 -2.373 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.150 -4.477 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.665 -2.802 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.765 -3.067 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.193 -4.720 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.472 -4.630 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.471 -5.265 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.025 -3.663 -9.809 1.00 0.00 H new ATOM 1351 N LEU A 90 5.149 -6.078 -6.741 1.00 0.00 N ATOM 1352 CA LEU A 90 4.689 -7.283 -6.079 1.00 0.00 C ATOM 1353 C LEU A 90 5.450 -8.494 -6.594 1.00 0.00 C ATOM 1354 O LEU A 90 5.853 -8.547 -7.759 1.00 0.00 O ATOM 1355 CB LEU A 90 3.190 -7.495 -6.299 1.00 0.00 C ATOM 1356 CG LEU A 90 2.277 -6.374 -5.802 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.819 -6.725 -6.070 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.497 -6.117 -4.317 1.00 0.00 C ATOM 0 H LEU A 90 4.840 -5.981 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 90 4.873 -7.165 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.015 -7.634 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.897 -8.422 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 90 2.524 -5.462 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.179 -5.919 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.668 -6.859 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.565 -7.648 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.837 -5.316 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.278 -7.024 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.534 -5.827 -4.148 1.00 0.00 H new ATOM 1370 N VAL A 91 5.640 -9.461 -5.718 1.00 0.00 N ATOM 1371 CA VAL A 91 6.286 -10.709 -6.082 1.00 0.00 C ATOM 1372 C VAL A 91 5.219 -11.753 -6.376 1.00 0.00 C ATOM 1373 O VAL A 91 4.541 -12.230 -5.462 1.00 0.00 O ATOM 1374 CB VAL A 91 7.207 -11.221 -4.954 1.00 0.00 C ATOM 1375 CG1 VAL A 91 7.908 -12.506 -5.367 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.222 -10.155 -4.563 1.00 0.00 C ATOM 0 H VAL A 91 5.354 -9.406 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 91 6.901 -10.532 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 91 6.588 -11.439 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.551 -12.847 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.164 -13.272 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.512 -12.322 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.861 -10.536 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.834 -9.900 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.699 -9.265 -4.214 1.00 0.00 H new ATOM 1386 N VAL A 92 5.053 -12.086 -7.646 1.00 0.00 N ATOM 1387 CA VAL A 92 4.007 -13.006 -8.048 1.00 0.00 C ATOM 1388 C VAL A 92 4.572 -14.166 -8.850 1.00 0.00 C ATOM 1389 O VAL A 92 5.622 -14.047 -9.486 1.00 0.00 O ATOM 1390 CB VAL A 92 2.914 -12.305 -8.890 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.270 -11.169 -8.111 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.483 -11.801 -10.210 1.00 0.00 C ATOM 0 H VAL A 92 5.628 -11.734 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 92 3.559 -13.381 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 92 2.141 -13.041 -9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.506 -10.694 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.812 -11.564 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.030 -10.434 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.695 -11.312 -10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.283 -11.088 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.878 -12.642 -10.780 1.00 0.00 H new ATOM 1402 N GLU A 93 3.876 -15.288 -8.804 1.00 0.00 N ATOM 1403 CA GLU A 93 4.214 -16.429 -9.633 1.00 0.00 C ATOM 1404 C GLU A 93 2.943 -16.997 -10.223 1.00 0.00 C ATOM 1405 O GLU A 93 1.860 -16.839 -9.653 1.00 0.00 O ATOM 1406 CB GLU A 93 4.966 -17.513 -8.858 1.00 0.00 C ATOM 1407 CG GLU A 93 6.329 -17.073 -8.341 1.00 0.00 C ATOM 1408 CD GLU A 93 7.114 -18.217 -7.734 1.00 0.00 C ATOM 1409 OE1 GLU A 93 7.550 -19.115 -8.485 1.00 0.00 O ATOM 1410 OE2 GLU A 93 7.319 -18.217 -6.505 1.00 0.00 O ATOM 0 H GLU A 93 3.069 -15.433 -8.197 1.00 0.00 H new ATOM 0 HA GLU A 93 4.883 -16.087 -10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.354 -17.832 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.097 -18.382 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.902 -16.637 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.196 -16.291 -7.594 1.00 0.00 H new ATOM 1418 N LYS A 94 3.077 -17.665 -11.346 1.00 0.00 N ATOM 1419 CA LYS A 94 1.923 -18.080 -12.117 1.00 0.00 C ATOM 1420 C LYS A 94 1.355 -19.384 -11.586 1.00 0.00 C ATOM 1421 O LYS A 94 2.097 -20.278 -11.170 1.00 0.00 O ATOM 1422 CB LYS A 94 2.299 -18.237 -13.591 1.00 0.00 C ATOM 1423 CG LYS A 94 1.131 -18.021 -14.541 1.00 0.00 C ATOM 1424 CD LYS A 94 1.519 -18.308 -15.977 1.00 0.00 C ATOM 1425 CE LYS A 94 1.552 -19.797 -16.258 1.00 0.00 C ATOM 1426 NZ LYS A 94 0.214 -20.422 -16.105 1.00 0.00 N ATOM 0 H LYS A 94 3.975 -17.934 -11.748 1.00 0.00 H new ATOM 0 HA LYS A 94 1.159 -17.308 -12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.090 -17.528 -13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.706 -19.236 -13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.302 -18.667 -14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.779 -16.993 -14.457 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.810 -17.826 -16.650 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.498 -17.876 -16.183 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.918 -19.967 -17.271 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.257 -20.278 -15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.136 -21.236 -16.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.091 -20.742 -15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.523 -19.726 -16.337 1.00 0.00 H new ATOM 1440 N LEU A 95 0.036 -19.473 -11.581 1.00 0.00 N ATOM 1441 CA LEU A 95 -0.648 -20.710 -11.263 1.00 0.00 C ATOM 1442 C LEU A 95 -0.215 -21.796 -12.242 1.00 0.00 C ATOM 1443 O LEU A 95 0.074 -21.510 -13.412 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.163 -20.505 -11.332 1.00 0.00 C ATOM 1445 CG LEU A 95 -2.846 -20.071 -10.030 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -2.390 -18.685 -9.611 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.359 -20.111 -10.192 1.00 0.00 C ATOM 0 H LEU A 95 -0.586 -18.694 -11.796 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.387 -21.018 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.373 -19.756 -12.096 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.620 -21.437 -11.665 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.559 -20.769 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.890 -18.402 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.311 -18.689 -9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.641 -17.968 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.833 -19.801 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.657 -19.435 -10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.672 -21.126 -10.438 1.00 0.00 H new