USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.12) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 93:sc= 0.414 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 69 THR OG1 : rot -35:sc= 0.179! USER MOD Single : A 76 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.084 8.694 -6.619 1.00 0.00 N ATOM 21 CA VAL A 2 -7.622 7.579 -5.738 1.00 0.00 C ATOM 22 C VAL A 2 -6.520 6.770 -6.430 1.00 0.00 C ATOM 23 O VAL A 2 -6.771 6.017 -7.350 1.00 0.00 O ATOM 24 CB VAL A 2 -8.858 6.702 -5.493 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.826 7.433 -4.562 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.563 6.398 -6.820 1.00 0.00 C ATOM 0 HA VAL A 2 -7.203 7.953 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.541 5.765 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.704 6.810 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.332 7.638 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.133 8.373 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.438 5.775 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.875 7.331 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.878 5.871 -7.484 1.00 0.00 H new ATOM 36 N LYS A 3 -5.301 6.919 -5.993 1.00 0.00 N ATOM 37 CA LYS A 3 -4.184 6.157 -6.621 1.00 0.00 C ATOM 38 C LYS A 3 -3.206 5.672 -5.548 1.00 0.00 C ATOM 39 O LYS A 3 -2.739 6.447 -4.735 1.00 0.00 O ATOM 40 CB LYS A 3 -3.495 7.161 -7.546 1.00 0.00 C ATOM 41 CG LYS A 3 -4.198 7.178 -8.903 1.00 0.00 C ATOM 42 CD LYS A 3 -4.587 8.615 -9.254 1.00 0.00 C ATOM 43 CE LYS A 3 -5.743 8.601 -10.255 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.488 9.761 -11.156 1.00 0.00 N ATOM 0 H LYS A 3 -5.029 7.536 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.536 5.276 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.519 8.156 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.446 6.893 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.541 6.769 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.086 6.546 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.879 9.154 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.732 9.141 -9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.770 7.666 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.704 8.698 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.241 9.817 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.475 10.638 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.570 9.638 -11.629 1.00 0.00 H new ATOM 58 N ILE A 4 -2.873 4.408 -5.539 1.00 0.00 N ATOM 59 CA ILE A 4 -1.910 3.914 -4.519 1.00 0.00 C ATOM 60 C ILE A 4 -0.524 3.771 -5.150 1.00 0.00 C ATOM 61 O ILE A 4 -0.374 3.240 -6.229 1.00 0.00 O ATOM 62 CB ILE A 4 -2.449 2.576 -4.029 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.827 2.786 -3.410 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.502 1.996 -2.978 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.621 1.488 -3.508 1.00 0.00 C ATOM 0 H ILE A 4 -3.224 3.704 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.807 4.604 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.525 1.884 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.729 3.089 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.353 3.589 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.889 1.039 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.516 1.850 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.425 2.685 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.608 1.631 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.729 1.206 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.095 0.698 -2.972 1.00 0.00 H new ATOM 77 N ARG A 5 0.490 4.256 -4.493 1.00 0.00 N ATOM 78 CA ARG A 5 1.855 4.159 -5.071 1.00 0.00 C ATOM 79 C ARG A 5 2.898 4.109 -3.961 1.00 0.00 C ATOM 80 O ARG A 5 2.573 4.029 -2.799 1.00 0.00 O ATOM 81 CB ARG A 5 2.027 5.419 -5.921 1.00 0.00 C ATOM 82 CG ARG A 5 1.769 6.665 -5.067 1.00 0.00 C ATOM 83 CD ARG A 5 1.048 7.720 -5.911 1.00 0.00 C ATOM 84 NE ARG A 5 1.589 9.029 -5.440 1.00 0.00 N ATOM 85 CZ ARG A 5 1.459 10.113 -6.169 1.00 0.00 C ATOM 86 NH1 ARG A 5 0.851 10.076 -7.328 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.941 11.245 -5.732 1.00 0.00 N ATOM 0 H ARG A 5 0.432 4.714 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 5 1.984 3.254 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.035 5.454 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.337 5.396 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.166 6.405 -4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.712 7.065 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.240 7.573 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.032 7.666 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 5 2.066 9.082 -4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.470 9.196 -7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.758 10.927 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.415 11.283 -4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.844 12.091 -6.293 1.00 0.00 H new ATOM 101 N LEU A 6 4.151 4.173 -4.311 1.00 0.00 N ATOM 102 CA LEU A 6 5.212 4.131 -3.270 1.00 0.00 C ATOM 103 C LEU A 6 5.522 5.543 -2.774 1.00 0.00 C ATOM 104 O LEU A 6 5.806 6.437 -3.545 1.00 0.00 O ATOM 105 CB LEU A 6 6.437 3.548 -3.977 1.00 0.00 C ATOM 106 CG LEU A 6 6.256 2.044 -4.170 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.464 1.787 -5.453 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.631 1.381 -4.280 1.00 0.00 C ATOM 0 H LEU A 6 4.485 4.252 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 6 4.912 3.541 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.576 4.034 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.334 3.743 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 6 5.715 1.628 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.334 0.714 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.487 2.264 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.006 2.200 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.507 0.307 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.168 1.797 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.198 1.567 -3.368 1.00 0.00 H new ATOM 120 N ALA A 7 5.467 5.747 -1.488 1.00 0.00 N ATOM 121 CA ALA A 7 5.754 7.095 -0.933 1.00 0.00 C ATOM 122 C ALA A 7 7.194 7.151 -0.418 1.00 0.00 C ATOM 123 O ALA A 7 7.510 6.608 0.612 1.00 0.00 O ATOM 124 CB ALA A 7 4.770 7.226 0.224 1.00 0.00 C ATOM 0 H ALA A 7 5.235 5.034 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 7 5.650 7.894 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.901 8.195 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.751 7.143 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.953 6.433 0.949 1.00 0.00 H new ATOM 130 N ARG A 8 8.070 7.792 -1.138 1.00 0.00 N ATOM 131 CA ARG A 8 9.493 7.863 -0.700 1.00 0.00 C ATOM 132 C ARG A 8 9.665 8.777 0.518 1.00 0.00 C ATOM 133 O ARG A 8 9.356 9.952 0.474 1.00 0.00 O ATOM 134 CB ARG A 8 10.240 8.449 -1.898 1.00 0.00 C ATOM 135 CG ARG A 8 11.733 8.145 -1.773 1.00 0.00 C ATOM 136 CD ARG A 8 12.488 9.425 -1.412 1.00 0.00 C ATOM 137 NE ARG A 8 12.407 10.276 -2.634 1.00 0.00 N ATOM 138 CZ ARG A 8 12.923 11.482 -2.648 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.548 11.958 -1.599 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.818 12.216 -3.722 1.00 0.00 N ATOM 0 H ARG A 8 7.862 8.272 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 8 9.865 6.883 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.849 8.027 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.081 9.526 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.897 7.386 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.112 7.740 -2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.035 9.922 -0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.524 9.212 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 8 11.945 9.916 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.638 11.389 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.944 12.898 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.337 11.851 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.217 13.155 -3.739 1.00 0.00 H new ATOM 276 N TYR A 17 9.562 2.905 0.854 1.00 0.00 N ATOM 277 CA TYR A 17 8.397 3.693 0.402 1.00 0.00 C ATOM 278 C TYR A 17 7.138 3.009 0.912 1.00 0.00 C ATOM 279 O TYR A 17 7.098 1.796 1.010 1.00 0.00 O ATOM 280 CB TYR A 17 8.396 3.594 -1.118 1.00 0.00 C ATOM 281 CG TYR A 17 9.679 4.105 -1.721 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.880 3.417 -1.518 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.656 5.255 -2.512 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.058 3.886 -2.102 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.833 5.723 -3.099 1.00 0.00 C ATOM 286 CZ TYR A 17 12.037 5.041 -2.893 1.00 0.00 C ATOM 287 OH TYR A 17 13.201 5.504 -3.472 1.00 0.00 O ATOM 0 HA TYR A 17 8.436 4.724 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.246 2.555 -1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.557 4.163 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.896 2.524 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.727 5.783 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.986 3.357 -1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.814 6.612 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 17 12.982 6.157 -4.169 1.00 0.00 H new ATOM 297 N ARG A 18 6.097 3.733 1.195 1.00 0.00 N ATOM 298 CA ARG A 18 4.863 3.042 1.637 1.00 0.00 C ATOM 299 C ARG A 18 3.928 2.945 0.446 1.00 0.00 C ATOM 300 O ARG A 18 4.001 3.735 -0.475 1.00 0.00 O ATOM 301 CB ARG A 18 4.250 3.892 2.749 1.00 0.00 C ATOM 302 CG ARG A 18 4.040 3.037 4.001 1.00 0.00 C ATOM 303 CD ARG A 18 3.232 3.831 5.031 1.00 0.00 C ATOM 304 NE ARG A 18 4.210 4.174 6.104 1.00 0.00 N ATOM 305 CZ ARG A 18 3.834 4.838 7.172 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.587 5.207 7.332 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.713 5.134 8.089 1.00 0.00 N ATOM 0 H ARG A 18 6.046 4.750 1.141 1.00 0.00 H new ATOM 0 HA ARG A 18 5.057 2.036 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.904 4.734 2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.298 4.308 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.516 2.117 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.003 2.748 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.801 4.729 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.405 3.240 5.425 1.00 0.00 H new ATOM 0 HE ARG A 18 5.184 3.889 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.892 4.979 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.311 5.722 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.686 4.850 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.428 5.650 8.921 1.00 0.00 H new ATOM 321 N ILE A 19 3.035 2.014 0.462 1.00 0.00 N ATOM 322 CA ILE A 19 2.080 1.900 -0.659 1.00 0.00 C ATOM 323 C ILE A 19 0.838 2.592 -0.145 1.00 0.00 C ATOM 324 O ILE A 19 -0.077 1.994 0.385 1.00 0.00 O ATOM 325 CB ILE A 19 1.873 0.402 -0.928 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.116 -0.407 -0.535 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.657 0.180 -2.417 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.327 0.167 -1.273 1.00 0.00 C ATOM 0 H ILE A 19 2.923 1.323 1.204 1.00 0.00 H new ATOM 0 HA ILE A 19 2.396 2.349 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 19 1.013 0.079 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.273 -0.360 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.980 -1.458 -0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.510 -0.883 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.776 0.733 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.530 0.531 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.219 -0.398 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.164 0.097 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.462 1.212 -0.994 1.00 0.00 H new ATOM 340 N VAL A 20 0.890 3.887 -0.207 1.00 0.00 N ATOM 341 CA VAL A 20 -0.173 4.732 0.363 1.00 0.00 C ATOM 342 C VAL A 20 -1.163 5.181 -0.716 1.00 0.00 C ATOM 343 O VAL A 20 -0.861 5.191 -1.891 1.00 0.00 O ATOM 344 CB VAL A 20 0.653 5.886 0.978 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.568 7.167 0.149 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.183 6.162 2.400 1.00 0.00 C ATOM 0 H VAL A 20 1.652 4.406 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.815 4.241 1.094 1.00 0.00 H new ATOM 0 HB VAL A 20 1.696 5.569 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.164 7.947 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.949 6.977 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.471 7.492 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.770 6.976 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.870 6.442 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.313 5.266 3.006 1.00 0.00 H new ATOM 356 N VAL A 21 -2.356 5.513 -0.311 1.00 0.00 N ATOM 357 CA VAL A 21 -3.402 5.918 -1.293 1.00 0.00 C ATOM 358 C VAL A 21 -3.625 7.430 -1.266 1.00 0.00 C ATOM 359 O VAL A 21 -4.092 7.982 -0.291 1.00 0.00 O ATOM 360 CB VAL A 21 -4.688 5.192 -0.857 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.502 4.841 -2.093 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.375 3.896 -0.108 1.00 0.00 C ATOM 0 H VAL A 21 -2.654 5.522 0.664 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.106 5.657 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.241 5.857 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.415 4.326 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.760 5.754 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.916 4.191 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.306 3.411 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.806 3.229 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.789 4.123 0.783 1.00 0.00 H new ATOM 372 N THR A 22 -3.310 8.098 -2.338 1.00 0.00 N ATOM 373 CA THR A 22 -3.516 9.574 -2.383 1.00 0.00 C ATOM 374 C THR A 22 -4.169 9.972 -3.707 1.00 0.00 C ATOM 375 O THR A 22 -4.533 9.133 -4.508 1.00 0.00 O ATOM 376 CB THR A 22 -2.115 10.192 -2.271 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.185 11.572 -2.598 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.147 9.490 -3.231 1.00 0.00 C ATOM 0 H THR A 22 -2.919 7.688 -3.186 1.00 0.00 H new ATOM 0 HA THR A 22 -4.171 9.917 -1.582 1.00 0.00 H new ATOM 0 HB THR A 22 -1.752 10.069 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.293 11.971 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.157 9.938 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.090 8.431 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.505 9.602 -4.255 1.00 0.00 H new ATOM 543 N TYR A 32 -1.855 11.503 1.514 1.00 0.00 N ATOM 544 CA TYR A 32 -2.704 10.348 1.092 1.00 0.00 C ATOM 545 C TYR A 32 -3.865 10.152 2.064 1.00 0.00 C ATOM 546 O TYR A 32 -3.769 10.453 3.237 1.00 0.00 O ATOM 547 CB TYR A 32 -1.787 9.119 1.118 1.00 0.00 C ATOM 548 CG TYR A 32 -1.044 9.056 2.433 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.629 8.424 3.539 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.226 9.631 2.548 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.941 8.368 4.757 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.914 9.574 3.767 1.00 0.00 C ATOM 553 CZ TYR A 32 0.330 8.943 4.871 1.00 0.00 C ATOM 554 OH TYR A 32 1.008 8.887 6.071 1.00 0.00 O ATOM 0 HA TYR A 32 -3.132 10.514 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.376 8.212 0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.078 9.167 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.610 7.981 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.676 10.119 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.391 7.881 5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.895 10.017 3.855 1.00 0.00 H new ATOM 0 HH TYR A 32 1.876 9.333 5.978 1.00 0.00 H new ATOM 564 N ILE A 33 -4.957 9.634 1.580 1.00 0.00 N ATOM 565 CA ILE A 33 -6.126 9.400 2.466 1.00 0.00 C ATOM 566 C ILE A 33 -5.712 8.487 3.627 1.00 0.00 C ATOM 567 O ILE A 33 -5.778 8.867 4.779 1.00 0.00 O ATOM 568 CB ILE A 33 -7.161 8.720 1.560 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.736 9.752 0.587 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.295 8.136 2.401 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.049 9.613 -0.773 1.00 0.00 C ATOM 0 H ILE A 33 -5.090 9.362 0.606 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.522 10.313 2.912 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.676 7.916 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.811 9.606 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.589 10.758 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.023 7.656 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.891 7.400 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.781 8.935 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.459 10.348 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.978 9.781 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.219 8.611 -1.166 1.00 0.00 H new ATOM 583 N GLU A 34 -5.282 7.291 3.329 1.00 0.00 N ATOM 584 CA GLU A 34 -4.860 6.357 4.413 1.00 0.00 C ATOM 585 C GLU A 34 -3.719 5.460 3.922 1.00 0.00 C ATOM 586 O GLU A 34 -3.566 5.228 2.739 1.00 0.00 O ATOM 587 CB GLU A 34 -6.103 5.520 4.719 1.00 0.00 C ATOM 588 CG GLU A 34 -6.961 6.233 5.768 1.00 0.00 C ATOM 589 CD GLU A 34 -6.977 5.415 7.060 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.953 5.367 7.721 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.014 4.849 7.368 1.00 0.00 O ATOM 0 H GLU A 34 -5.205 6.920 2.382 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.495 6.884 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.681 5.363 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.809 4.536 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.563 7.229 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.977 6.362 5.395 1.00 0.00 H new ATOM 598 N LYS A 35 -2.919 4.948 4.819 1.00 0.00 N ATOM 599 CA LYS A 35 -1.794 4.062 4.395 1.00 0.00 C ATOM 600 C LYS A 35 -2.267 2.606 4.358 1.00 0.00 C ATOM 601 O LYS A 35 -2.681 2.053 5.358 1.00 0.00 O ATOM 602 CB LYS A 35 -0.704 4.258 5.454 1.00 0.00 C ATOM 603 CG LYS A 35 -1.183 3.727 6.809 1.00 0.00 C ATOM 604 CD LYS A 35 -0.615 4.600 7.931 1.00 0.00 C ATOM 605 CE LYS A 35 -1.450 4.408 9.200 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.088 3.052 9.698 1.00 0.00 N ATOM 0 H LYS A 35 -2.995 5.104 5.824 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.426 4.303 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.205 3.738 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.453 5.316 5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.272 3.730 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.862 2.694 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.424 4.333 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.625 5.648 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.223 5.174 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.516 4.478 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.486 2.914 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.472 2.332 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.053 2.962 9.740 1.00 0.00 H new ATOM 620 N ILE A 36 -2.226 1.984 3.210 1.00 0.00 N ATOM 621 CA ILE A 36 -2.695 0.567 3.119 1.00 0.00 C ATOM 622 C ILE A 36 -1.533 -0.394 2.938 1.00 0.00 C ATOM 623 O ILE A 36 -1.582 -1.524 3.385 1.00 0.00 O ATOM 624 CB ILE A 36 -3.612 0.529 1.900 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.860 1.071 0.674 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.843 1.390 2.181 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.647 0.778 -0.597 1.00 0.00 C ATOM 0 H ILE A 36 -1.891 2.390 2.336 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.204 0.258 4.032 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.922 -0.496 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.708 2.145 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.872 0.614 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.506 1.370 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.370 0.998 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.532 2.416 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.104 1.167 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.776 -0.299 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.625 1.256 -0.538 1.00 0.00 H new ATOM 639 N GLY A 37 -0.500 0.021 2.273 1.00 0.00 N ATOM 640 CA GLY A 37 0.630 -0.906 2.062 1.00 0.00 C ATOM 641 C GLY A 37 1.943 -0.292 2.518 1.00 0.00 C ATOM 642 O GLY A 37 2.049 0.896 2.744 1.00 0.00 O ATOM 0 H GLY A 37 -0.391 0.952 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.450 -1.832 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.696 -1.167 1.006 1.00 0.00 H new ATOM 646 N TYR A 38 2.952 -1.108 2.615 1.00 0.00 N ATOM 647 CA TYR A 38 4.301 -0.618 3.013 1.00 0.00 C ATOM 648 C TYR A 38 5.351 -1.315 2.138 1.00 0.00 C ATOM 649 O TYR A 38 5.248 -2.495 1.867 1.00 0.00 O ATOM 650 CB TYR A 38 4.459 -1.017 4.485 1.00 0.00 C ATOM 651 CG TYR A 38 5.892 -0.812 4.923 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.862 -1.772 4.609 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.250 0.335 5.643 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.189 -1.585 5.013 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.578 0.521 6.046 1.00 0.00 C ATOM 656 CZ TYR A 38 8.547 -0.438 5.731 1.00 0.00 C ATOM 657 OH TYR A 38 9.855 -0.254 6.129 1.00 0.00 O ATOM 0 H TYR A 38 2.899 -2.110 2.433 1.00 0.00 H new ATOM 0 HA TYR A 38 4.423 0.458 2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.791 -0.421 5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.174 -2.060 4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.586 -2.657 4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.502 1.075 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.937 -2.326 4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.855 1.406 6.601 1.00 0.00 H new ATOM 0 HH TYR A 38 9.933 0.593 6.616 1.00 0.00 H new ATOM 667 N TYR A 39 6.360 -0.613 1.692 1.00 0.00 N ATOM 668 CA TYR A 39 7.391 -1.281 0.843 1.00 0.00 C ATOM 669 C TYR A 39 8.793 -0.835 1.284 1.00 0.00 C ATOM 670 O TYR A 39 9.090 0.343 1.315 1.00 0.00 O ATOM 671 CB TYR A 39 7.108 -0.824 -0.589 1.00 0.00 C ATOM 672 CG TYR A 39 8.218 -1.277 -1.511 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.472 -2.642 -1.675 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.985 -0.333 -2.205 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.495 -3.067 -2.532 1.00 0.00 C ATOM 676 CE2 TYR A 39 10.007 -0.758 -3.064 1.00 0.00 C ATOM 677 CZ TYR A 39 10.262 -2.125 -3.227 1.00 0.00 C ATOM 678 OH TYR A 39 11.270 -2.543 -4.072 1.00 0.00 O ATOM 0 H TYR A 39 6.514 0.379 1.875 1.00 0.00 H new ATOM 0 HA TYR A 39 7.352 -2.367 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.155 -1.232 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.019 0.262 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.879 -3.369 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.789 0.721 -2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.692 -4.122 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.598 -0.031 -3.601 1.00 0.00 H new ATOM 0 HH TYR A 39 11.703 -1.762 -4.476 1.00 0.00 H new ATOM 688 N ASP A 40 9.659 -1.751 1.624 1.00 0.00 N ATOM 689 CA ASP A 40 11.031 -1.341 2.057 1.00 0.00 C ATOM 690 C ASP A 40 12.089 -2.300 1.493 1.00 0.00 C ATOM 691 O ASP A 40 12.499 -3.227 2.163 1.00 0.00 O ATOM 692 CB ASP A 40 11.000 -1.415 3.585 1.00 0.00 C ATOM 693 CG ASP A 40 12.354 -0.981 4.152 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.160 -0.469 3.390 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.564 -1.169 5.338 1.00 0.00 O ATOM 0 H ASP A 40 9.482 -2.755 1.622 1.00 0.00 H new ATOM 0 HA ASP A 40 11.292 -0.346 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.210 -0.773 3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.770 -2.431 3.905 1.00 0.00 H new ATOM 838 N LEU A 49 7.801 -6.544 1.910 1.00 0.00 N ATOM 839 CA LEU A 49 6.421 -6.170 1.491 1.00 0.00 C ATOM 840 C LEU A 49 5.441 -6.341 2.655 1.00 0.00 C ATOM 841 O LEU A 49 5.238 -7.428 3.158 1.00 0.00 O ATOM 842 CB LEU A 49 6.077 -7.147 0.370 1.00 0.00 C ATOM 843 CG LEU A 49 4.879 -6.622 -0.423 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.988 -7.107 -1.865 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.584 -7.150 0.199 1.00 0.00 C ATOM 0 HA LEU A 49 6.358 -5.129 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.935 -7.274 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.848 -8.128 0.787 1.00 0.00 H new ATOM 0 HG LEU A 49 4.870 -5.532 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.138 -6.738 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.913 -6.734 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.992 -8.197 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.730 -6.776 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.586 -8.240 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.512 -6.811 1.232 1.00 0.00 H new ATOM 857 N LYS A 50 4.822 -5.276 3.073 1.00 0.00 N ATOM 858 CA LYS A 50 3.840 -5.369 4.191 1.00 0.00 C ATOM 859 C LYS A 50 2.571 -4.612 3.807 1.00 0.00 C ATOM 860 O LYS A 50 2.518 -3.401 3.888 1.00 0.00 O ATOM 861 CB LYS A 50 4.528 -4.702 5.382 1.00 0.00 C ATOM 862 CG LYS A 50 5.505 -5.688 6.023 1.00 0.00 C ATOM 863 CD LYS A 50 5.253 -5.756 7.531 1.00 0.00 C ATOM 864 CE LYS A 50 5.185 -7.220 7.974 1.00 0.00 C ATOM 865 NZ LYS A 50 4.317 -7.216 9.184 1.00 0.00 N ATOM 0 H LYS A 50 4.953 -4.340 2.689 1.00 0.00 H new ATOM 0 HA LYS A 50 3.554 -6.395 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.059 -3.808 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.785 -4.382 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.383 -6.676 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.531 -5.376 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.050 -5.240 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.321 -5.247 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.766 -7.851 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.177 -7.610 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.222 -8.186 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.744 -6.613 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.377 -6.846 8.936 1.00 0.00 H new ATOM 879 N VAL A 51 1.553 -5.303 3.368 1.00 0.00 N ATOM 880 CA VAL A 51 0.312 -4.588 2.965 1.00 0.00 C ATOM 881 C VAL A 51 -0.924 -5.172 3.645 1.00 0.00 C ATOM 882 O VAL A 51 -1.082 -6.369 3.775 1.00 0.00 O ATOM 883 CB VAL A 51 0.233 -4.753 1.425 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.219 -4.901 0.940 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.816 -3.515 0.759 1.00 0.00 C ATOM 0 H VAL A 51 1.528 -6.318 3.272 1.00 0.00 H new ATOM 0 HA VAL A 51 0.341 -3.540 3.264 1.00 0.00 H new ATOM 0 HB VAL A 51 0.790 -5.652 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.231 -5.014 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.669 -5.780 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.788 -4.014 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.763 -3.625 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.247 -2.636 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.856 -3.395 1.061 1.00 0.00 H new ATOM 895 N ASP A 52 -1.831 -4.315 4.003 1.00 0.00 N ATOM 896 CA ASP A 52 -3.103 -4.784 4.590 1.00 0.00 C ATOM 897 C ASP A 52 -4.042 -5.028 3.415 1.00 0.00 C ATOM 898 O ASP A 52 -4.966 -4.274 3.185 1.00 0.00 O ATOM 899 CB ASP A 52 -3.600 -3.629 5.460 1.00 0.00 C ATOM 900 CG ASP A 52 -4.443 -4.181 6.611 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.114 -5.248 7.102 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.404 -3.526 6.982 1.00 0.00 O ATOM 0 H ASP A 52 -1.743 -3.303 3.912 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.023 -5.693 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.754 -3.066 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.192 -2.937 4.861 1.00 0.00 H new ATOM 907 N VAL A 53 -3.758 -6.054 2.640 1.00 0.00 N ATOM 908 CA VAL A 53 -4.571 -6.371 1.414 1.00 0.00 C ATOM 909 C VAL A 53 -6.057 -6.035 1.612 1.00 0.00 C ATOM 910 O VAL A 53 -6.731 -5.651 0.678 1.00 0.00 O ATOM 911 CB VAL A 53 -4.326 -7.876 1.110 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.160 -8.689 2.398 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.489 -8.463 0.298 1.00 0.00 C ATOM 0 H VAL A 53 -2.984 -6.696 2.808 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.265 -5.760 0.565 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.405 -7.939 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.990 -9.736 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.308 -8.308 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.063 -8.602 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.297 -9.517 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.415 -8.365 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.583 -7.925 -0.645 1.00 0.00 H new ATOM 923 N GLU A 54 -6.569 -6.141 2.806 1.00 0.00 N ATOM 924 CA GLU A 54 -7.997 -5.784 3.011 1.00 0.00 C ATOM 925 C GLU A 54 -8.184 -4.296 2.716 1.00 0.00 C ATOM 926 O GLU A 54 -8.975 -3.913 1.876 1.00 0.00 O ATOM 927 CB GLU A 54 -8.294 -6.102 4.477 1.00 0.00 C ATOM 928 CG GLU A 54 -9.180 -7.347 4.560 1.00 0.00 C ATOM 929 CD GLU A 54 -9.797 -7.442 5.956 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.376 -6.463 6.395 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.681 -8.495 6.563 1.00 0.00 O ATOM 0 H GLU A 54 -6.068 -6.455 3.637 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.671 -6.334 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.363 -6.268 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.792 -5.256 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.966 -7.298 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.591 -8.240 4.349 1.00 0.00 H new ATOM 938 N ARG A 55 -7.447 -3.455 3.384 1.00 0.00 N ATOM 939 CA ARG A 55 -7.565 -2.001 3.126 1.00 0.00 C ATOM 940 C ARG A 55 -6.934 -1.680 1.769 1.00 0.00 C ATOM 941 O ARG A 55 -7.422 -0.857 1.024 1.00 0.00 O ATOM 942 CB ARG A 55 -6.795 -1.340 4.266 1.00 0.00 C ATOM 943 CG ARG A 55 -7.784 -0.837 5.320 1.00 0.00 C ATOM 944 CD ARG A 55 -7.656 0.679 5.449 1.00 0.00 C ATOM 945 NE ARG A 55 -6.223 0.906 5.786 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.812 0.914 7.033 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.628 0.635 8.019 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.560 1.176 7.293 1.00 0.00 N ATOM 0 H ARG A 55 -6.767 -3.716 4.098 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.596 -1.650 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.101 -2.052 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.199 -0.511 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.802 -1.105 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.584 -1.313 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.930 1.181 4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.313 1.068 6.227 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.549 1.058 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.603 0.406 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.289 0.647 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.911 1.372 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.231 1.185 8.258 1.00 0.00 H new ATOM 962 N ALA A 56 -5.871 -2.353 1.421 1.00 0.00 N ATOM 963 CA ALA A 56 -5.251 -2.109 0.100 1.00 0.00 C ATOM 964 C ALA A 56 -6.245 -2.565 -0.973 1.00 0.00 C ATOM 965 O ALA A 56 -6.190 -2.137 -2.112 1.00 0.00 O ATOM 966 CB ALA A 56 -3.958 -2.937 0.102 1.00 0.00 C ATOM 0 H ALA A 56 -5.411 -3.058 1.997 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.016 -1.064 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.441 -2.807 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.313 -2.603 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.201 -3.990 0.242 1.00 0.00 H new ATOM 972 N ARG A 57 -7.187 -3.410 -0.605 1.00 0.00 N ATOM 973 CA ARG A 57 -8.202 -3.860 -1.587 1.00 0.00 C ATOM 974 C ARG A 57 -9.374 -2.867 -1.616 1.00 0.00 C ATOM 975 O ARG A 57 -10.095 -2.771 -2.589 1.00 0.00 O ATOM 976 CB ARG A 57 -8.666 -5.235 -1.101 1.00 0.00 C ATOM 977 CG ARG A 57 -9.836 -5.717 -1.964 1.00 0.00 C ATOM 978 CD ARG A 57 -9.943 -7.241 -1.880 1.00 0.00 C ATOM 979 NE ARG A 57 -11.341 -7.502 -1.431 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.691 -8.682 -0.975 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.827 -9.664 -0.914 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.919 -8.881 -0.582 1.00 0.00 N ATOM 0 H ARG A 57 -7.287 -3.799 0.332 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.801 -3.914 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.843 -5.948 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.971 -5.179 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.765 -5.258 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.688 -5.409 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.745 -7.705 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.219 -7.650 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.033 -6.755 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.866 -9.518 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.115 -10.575 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.599 -8.122 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.199 -9.795 -0.226 1.00 0.00 H new ATOM 996 N TYR A 58 -9.550 -2.111 -0.560 1.00 0.00 N ATOM 997 CA TYR A 58 -10.647 -1.103 -0.520 1.00 0.00 C ATOM 998 C TYR A 58 -10.386 -0.102 -1.623 1.00 0.00 C ATOM 999 O TYR A 58 -11.248 0.290 -2.386 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.487 -0.429 0.850 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.151 0.937 0.879 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.365 1.139 0.217 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.543 2.001 1.565 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.978 2.398 0.239 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.156 3.259 1.588 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.373 3.458 0.925 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.976 4.698 0.950 1.00 0.00 O ATOM 0 H TYR A 58 -8.974 -2.152 0.281 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.645 -1.521 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.923 -1.063 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.428 -0.325 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.832 0.322 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.603 1.849 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.917 2.551 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.690 4.077 2.118 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.425 5.319 1.470 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.173 0.313 -1.668 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.746 1.307 -2.667 1.00 0.00 C ATOM 1019 C TRP A 59 -8.846 0.716 -4.055 1.00 0.00 C ATOM 1020 O TRP A 59 -9.577 1.198 -4.895 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.319 1.625 -2.256 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.434 2.313 -0.951 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.995 1.859 0.241 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.112 3.552 -0.698 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.337 2.783 1.215 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.037 3.847 0.677 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.768 4.442 -1.545 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.608 5.004 1.200 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.347 5.606 -1.032 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.268 5.889 0.338 1.00 0.00 C ATOM 0 H TRP A 59 -8.435 -0.002 -1.038 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.359 2.207 -2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.722 0.717 -2.171 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.829 2.260 -2.994 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.466 0.932 0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.102 2.690 2.203 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.830 4.232 -2.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.543 5.216 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.857 6.290 -1.694 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.716 6.790 0.730 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.165 -0.357 -4.292 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.278 -1.008 -5.625 1.00 0.00 C ATOM 1043 C LEU A 60 -9.763 -1.267 -5.916 1.00 0.00 C ATOM 1044 O LEU A 60 -10.173 -1.384 -7.054 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.501 -2.318 -5.505 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.008 -2.014 -5.378 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.281 -3.243 -4.831 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.441 -1.656 -6.755 1.00 0.00 C ATOM 0 H LEU A 60 -7.538 -0.814 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.882 -0.399 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.844 -2.879 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.683 -2.943 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.865 -1.175 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.217 -3.026 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.684 -3.498 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.423 -4.083 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.377 -1.439 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.584 -2.494 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.958 -0.779 -7.145 1.00 0.00 H new ATOM 1060 N SER A 61 -10.575 -1.334 -4.883 1.00 0.00 N ATOM 1061 CA SER A 61 -12.029 -1.558 -5.090 1.00 0.00 C ATOM 1062 C SER A 61 -12.709 -0.246 -5.501 1.00 0.00 C ATOM 1063 O SER A 61 -13.778 -0.249 -6.078 1.00 0.00 O ATOM 1064 CB SER A 61 -12.564 -2.045 -3.743 1.00 0.00 C ATOM 1065 OG SER A 61 -12.555 -3.467 -3.721 1.00 0.00 O ATOM 0 H SER A 61 -10.285 -1.242 -3.909 1.00 0.00 H new ATOM 0 HA SER A 61 -12.224 -2.281 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.950 -1.653 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.577 -1.674 -3.585 1.00 0.00 H new ATOM 0 HG SER A 61 -11.714 -3.783 -3.329 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.096 0.880 -5.221 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.714 2.172 -5.612 1.00 0.00 C ATOM 1073 C VAL A 62 -12.073 2.659 -6.912 1.00 0.00 C ATOM 1074 O VAL A 62 -11.916 3.841 -7.145 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.440 3.159 -4.451 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.740 2.501 -3.100 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -10.977 3.631 -4.459 1.00 0.00 C ATOM 0 H VAL A 62 -11.199 0.953 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.786 2.081 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.095 4.019 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.541 3.211 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.787 2.200 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.106 1.624 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.813 4.323 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.317 2.771 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.762 4.134 -5.402 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.695 1.740 -7.749 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.048 2.117 -9.034 1.00 0.00 C ATOM 1089 C GLY A 63 -9.694 2.760 -8.741 1.00 0.00 C ATOM 1090 O GLY A 63 -9.172 3.518 -9.535 1.00 0.00 O ATOM 0 H GLY A 63 -11.806 0.737 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.918 1.236 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.683 2.811 -9.585 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.115 2.465 -7.605 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.796 3.064 -7.272 1.00 0.00 C ATOM 1096 C ALA A 64 -6.758 2.635 -8.307 1.00 0.00 C ATOM 1097 O ALA A 64 -6.704 1.489 -8.708 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.442 2.516 -5.890 1.00 0.00 C ATOM 0 H ALA A 64 -9.500 1.837 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.821 4.154 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.478 2.915 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.208 2.813 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.388 1.428 -5.933 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.940 3.546 -8.747 1.00 0.00 N ATOM 1105 CA GLN A 65 -4.910 3.190 -9.761 1.00 0.00 C ATOM 1106 C GLN A 65 -3.545 3.006 -9.086 1.00 0.00 C ATOM 1107 O GLN A 65 -2.936 3.966 -8.656 1.00 0.00 O ATOM 1108 CB GLN A 65 -4.878 4.381 -10.719 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.077 3.889 -12.154 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.132 4.648 -13.087 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.104 4.132 -13.480 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.436 5.862 -13.458 1.00 0.00 N ATOM 0 H GLN A 65 -5.939 4.522 -8.449 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.138 2.256 -10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.660 5.093 -10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.926 4.905 -10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.882 2.818 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.111 4.042 -12.463 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.299 6.295 -13.128 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.811 6.378 -14.078 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.101 1.775 -9.012 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.795 1.489 -8.391 1.00 0.00 C ATOM 1123 C PRO A 66 -0.676 1.699 -9.418 1.00 0.00 C ATOM 1124 O PRO A 66 -0.681 1.107 -10.479 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.899 0.022 -8.000 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.908 -0.572 -8.936 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.761 0.549 -9.480 1.00 0.00 C ATOM 0 HA PRO A 66 -1.567 2.133 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.935 -0.478 -8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.215 -0.086 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.409 -1.099 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.527 -1.303 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.812 0.517 -10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.785 0.484 -9.111 1.00 0.00 H new ATOM 1135 N THR A 67 0.277 2.537 -9.119 1.00 0.00 N ATOM 1136 CA THR A 67 1.388 2.782 -10.088 1.00 0.00 C ATOM 1137 C THR A 67 1.983 1.452 -10.567 1.00 0.00 C ATOM 1138 O THR A 67 1.702 0.403 -10.016 1.00 0.00 O ATOM 1139 CB THR A 67 2.426 3.586 -9.305 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.509 3.921 -10.161 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.942 2.755 -8.128 1.00 0.00 C ATOM 0 H THR A 67 0.337 3.063 -8.247 1.00 0.00 H new ATOM 0 HA THR A 67 1.049 3.312 -10.978 1.00 0.00 H new ATOM 0 HB THR A 67 1.965 4.498 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.174 4.438 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.682 3.331 -7.572 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.111 2.501 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.401 1.840 -8.502 1.00 0.00 H new ATOM 1149 N ASP A 68 2.806 1.482 -11.584 1.00 0.00 N ATOM 1150 CA ASP A 68 3.419 0.216 -12.095 1.00 0.00 C ATOM 1151 C ASP A 68 4.493 -0.289 -11.123 1.00 0.00 C ATOM 1152 O ASP A 68 5.633 -0.493 -11.493 1.00 0.00 O ATOM 1153 CB ASP A 68 4.048 0.595 -13.436 1.00 0.00 C ATOM 1154 CG ASP A 68 3.850 -0.545 -14.437 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.660 -1.667 -13.998 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.894 -0.276 -15.626 1.00 0.00 O ATOM 0 H ASP A 68 3.081 2.328 -12.083 1.00 0.00 H new ATOM 0 HA ASP A 68 2.685 -0.583 -12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.593 1.510 -13.817 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.111 0.798 -13.306 1.00 0.00 H new ATOM 1161 N THR A 69 4.129 -0.496 -9.887 1.00 0.00 N ATOM 1162 CA THR A 69 5.098 -0.985 -8.867 1.00 0.00 C ATOM 1163 C THR A 69 4.317 -1.443 -7.640 1.00 0.00 C ATOM 1164 O THR A 69 4.342 -2.598 -7.260 1.00 0.00 O ATOM 1165 CB THR A 69 5.946 0.223 -8.504 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.420 0.861 -9.681 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.132 -0.214 -7.642 1.00 0.00 C ATOM 0 H THR A 69 3.184 -0.344 -9.536 1.00 0.00 H new ATOM 0 HA THR A 69 5.707 -1.814 -9.228 1.00 0.00 H new ATOM 0 HB THR A 69 5.332 0.927 -7.942 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.602 0.186 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.736 0.657 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.765 -0.683 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.742 -0.927 -8.197 1.00 0.00 H new ATOM 1175 N ALA A 70 3.592 -0.539 -7.041 1.00 0.00 N ATOM 1176 CA ALA A 70 2.777 -0.904 -5.865 1.00 0.00 C ATOM 1177 C ALA A 70 1.721 -1.897 -6.318 1.00 0.00 C ATOM 1178 O ALA A 70 1.243 -2.709 -5.555 1.00 0.00 O ATOM 1179 CB ALA A 70 2.135 0.400 -5.395 1.00 0.00 C ATOM 0 H ALA A 70 3.534 0.440 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 70 3.353 -1.361 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.513 0.205 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.914 1.116 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.519 0.811 -6.195 1.00 0.00 H new ATOM 1185 N ARG A 71 1.381 -1.860 -7.581 1.00 0.00 N ATOM 1186 CA ARG A 71 0.396 -2.821 -8.091 1.00 0.00 C ATOM 1187 C ARG A 71 1.033 -4.193 -8.021 1.00 0.00 C ATOM 1188 O ARG A 71 0.435 -5.155 -7.581 1.00 0.00 O ATOM 1189 CB ARG A 71 0.136 -2.419 -9.543 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.027 -3.242 -10.098 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.150 -3.000 -11.604 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.549 -4.318 -12.177 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.669 -5.280 -12.326 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.579 -5.115 -11.962 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -1.042 -6.420 -12.842 1.00 0.00 N ATOM 0 H ARG A 71 1.749 -1.203 -8.269 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.537 -2.833 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.096 -1.356 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.031 -2.583 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.863 -4.302 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.955 -2.964 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.895 -2.234 -11.821 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.206 -2.656 -12.027 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.518 -4.473 -12.456 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.879 -4.229 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.250 -5.873 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.012 -6.558 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.364 -7.172 -12.961 1.00 0.00 H new ATOM 1209 N ARG A 72 2.268 -4.279 -8.436 1.00 0.00 N ATOM 1210 CA ARG A 72 2.966 -5.577 -8.383 1.00 0.00 C ATOM 1211 C ARG A 72 3.234 -5.971 -6.932 1.00 0.00 C ATOM 1212 O ARG A 72 3.585 -7.097 -6.638 1.00 0.00 O ATOM 1213 CB ARG A 72 4.272 -5.372 -9.144 1.00 0.00 C ATOM 1214 CG ARG A 72 4.428 -6.494 -10.165 1.00 0.00 C ATOM 1215 CD ARG A 72 5.890 -6.945 -10.218 1.00 0.00 C ATOM 1216 NE ARG A 72 6.618 -5.825 -10.883 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.914 -5.892 -11.084 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.602 -6.942 -10.708 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.526 -4.899 -11.670 1.00 0.00 N ATOM 0 H ARG A 72 2.816 -3.503 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 72 2.374 -6.379 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.269 -4.404 -9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.115 -5.371 -8.453 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.788 -7.334 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.108 -6.151 -11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.282 -7.131 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.996 -7.873 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 72 6.103 -4.998 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.131 -7.723 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.608 -6.978 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.998 -4.079 -11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.532 -4.943 -11.830 1.00 0.00 H new ATOM 1233 N LEU A 73 3.052 -5.063 -6.018 1.00 0.00 N ATOM 1234 CA LEU A 73 3.265 -5.394 -4.599 1.00 0.00 C ATOM 1235 C LEU A 73 1.908 -5.625 -3.957 1.00 0.00 C ATOM 1236 O LEU A 73 1.773 -6.392 -3.024 1.00 0.00 O ATOM 1237 CB LEU A 73 3.977 -4.187 -3.989 1.00 0.00 C ATOM 1238 CG LEU A 73 5.258 -3.894 -4.775 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.640 -2.423 -4.600 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.390 -4.778 -4.251 1.00 0.00 C ATOM 0 H LEU A 73 2.763 -4.102 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 73 3.862 -6.294 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.320 -3.317 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.217 -4.383 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 73 5.091 -4.103 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.552 -2.215 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.834 -1.791 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.807 -2.214 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.302 -4.570 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.556 -4.568 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.120 -5.827 -4.375 1.00 0.00 H new ATOM 1252 N LEU A 74 0.887 -5.006 -4.483 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.461 -5.243 -3.933 1.00 0.00 C ATOM 1254 C LEU A 74 -0.879 -6.641 -4.371 1.00 0.00 C ATOM 1255 O LEU A 74 -1.596 -7.337 -3.685 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.359 -4.173 -4.551 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.999 -2.811 -3.960 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.332 -1.711 -4.968 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.799 -2.587 -2.675 1.00 0.00 C ATOM 0 H LEU A 74 0.935 -4.352 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.514 -5.185 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.234 -4.157 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.406 -4.403 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 74 0.067 -2.783 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.075 -0.740 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.762 -1.871 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.398 -1.737 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.543 -1.616 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.865 -2.615 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.559 -3.370 -1.956 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.382 -7.074 -5.504 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.701 -8.438 -5.979 1.00 0.00 C ATOM 1273 C ARG A 75 0.172 -9.415 -5.197 1.00 0.00 C ATOM 1274 O ARG A 75 -0.207 -10.537 -4.924 1.00 0.00 O ATOM 1275 CB ARG A 75 -0.364 -8.444 -7.480 1.00 0.00 C ATOM 1276 CG ARG A 75 1.143 -8.329 -7.685 1.00 0.00 C ATOM 1277 CD ARG A 75 1.784 -9.717 -7.616 1.00 0.00 C ATOM 1278 NE ARG A 75 2.459 -9.891 -8.935 1.00 0.00 N ATOM 1279 CZ ARG A 75 3.396 -10.796 -9.097 1.00 0.00 C ATOM 1280 NH1 ARG A 75 3.761 -11.573 -8.109 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.972 -10.923 -10.262 1.00 0.00 N ATOM 0 H ARG A 75 0.231 -6.534 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.742 -8.725 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.731 -9.362 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.870 -7.616 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.354 -7.869 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.574 -7.681 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.498 -9.783 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.035 -10.491 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 75 2.189 -9.299 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.316 -11.480 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.491 -12.271 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.693 -10.322 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.701 -11.624 -10.397 1.00 0.00 H new ATOM 1295 N GLN A 76 1.342 -8.973 -4.818 1.00 0.00 N ATOM 1296 CA GLN A 76 2.253 -9.831 -4.037 1.00 0.00 C ATOM 1297 C GLN A 76 1.799 -9.859 -2.588 1.00 0.00 C ATOM 1298 O GLN A 76 1.940 -10.844 -1.891 1.00 0.00 O ATOM 1299 CB GLN A 76 3.602 -9.152 -4.187 1.00 0.00 C ATOM 1300 CG GLN A 76 4.725 -10.171 -4.011 1.00 0.00 C ATOM 1301 CD GLN A 76 5.347 -10.465 -5.375 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.593 -11.606 -5.712 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.614 -9.472 -6.181 1.00 0.00 N ATOM 0 H GLN A 76 1.701 -8.041 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 76 2.281 -10.868 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.675 -8.685 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.702 -8.358 -3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.481 -9.784 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.336 -11.088 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.407 -8.515 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.030 -9.654 -7.095 1.00 0.00 H new ATOM 1312 N ALA A 77 1.232 -8.784 -2.149 1.00 0.00 N ATOM 1313 CA ALA A 77 0.727 -8.720 -0.756 1.00 0.00 C ATOM 1314 C ALA A 77 -0.451 -9.692 -0.582 1.00 0.00 C ATOM 1315 O ALA A 77 -0.891 -9.954 0.521 1.00 0.00 O ATOM 1316 CB ALA A 77 0.267 -7.276 -0.568 1.00 0.00 C ATOM 0 H ALA A 77 1.093 -7.936 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 77 1.484 -9.001 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.122 -7.147 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.110 -6.603 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.516 -7.047 -1.290 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.959 -10.238 -1.660 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.096 -11.197 -1.547 1.00 0.00 C ATOM 1324 C GLY A 78 -3.423 -10.505 -1.885 1.00 0.00 C ATOM 1325 O GLY A 78 -4.481 -10.973 -1.513 1.00 0.00 O ATOM 0 H GLY A 78 -0.634 -10.060 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.937 -12.039 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.138 -11.602 -0.536 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.386 -9.400 -2.584 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.658 -8.701 -2.928 1.00 0.00 C ATOM 1331 C VAL A 79 -5.261 -9.278 -4.212 1.00 0.00 C ATOM 1332 O VAL A 79 -6.288 -9.927 -4.188 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.293 -7.235 -3.127 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.571 -6.411 -3.277 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.505 -6.730 -1.917 1.00 0.00 C ATOM 0 H VAL A 79 -2.536 -8.955 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.402 -8.825 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.682 -7.134 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.313 -5.362 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.134 -6.767 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.179 -6.516 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.246 -5.681 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.114 -6.831 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.593 -7.317 -1.806 1.00 0.00 H new