USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 568 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 1 CYS N :NH3+ -160:sc= 0.798 (180deg=0.471) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 140:sc= -1.29 (180deg=-2.35) USER MOD Single : A 10 LYS NZ :NH3+ 143:sc= 0.301 (180deg=0.0237) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS N :NH3+ 174:sc= -0.139 (180deg=-0.168) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -158:sc= 0.958 (180deg=0.701) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 1 CYS N :NH3+ -158:sc= 0.532 (180deg=0.271) USER MOD Single : D 2 TYR OH : rot 180:sc= 0 USER MOD Single : D 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 10 LYS NZ :NH3+ 163:sc= 0.0485 (180deg=0.0135) USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 0.852 4.343 -8.143 1.00 0.00 N ATOM 2 CA CYS A 1 2.291 4.710 -8.008 1.00 0.00 C ATOM 3 C CYS A 1 3.185 3.505 -8.247 1.00 0.00 C ATOM 4 O CYS A 1 2.745 2.372 -8.276 1.00 0.00 O ATOM 5 CB CYS A 1 2.458 5.195 -6.577 1.00 0.00 C ATOM 6 SG CYS A 1 1.840 3.936 -5.432 1.00 0.00 S ATOM 0 H1 CYS A 1 0.290 5.201 -8.314 1.00 0.00 H new ATOM 0 H2 CYS A 1 0.734 3.687 -8.941 1.00 0.00 H new ATOM 0 H3 CYS A 1 0.527 3.885 -7.268 1.00 0.00 H new ATOM 0 HA CYS A 1 2.572 5.469 -8.739 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.509 5.402 -6.373 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.915 6.129 -6.433 1.00 0.00 H new ATOM 13 N TYR A 2 4.442 3.759 -8.415 1.00 0.00 N ATOM 14 CA TYR A 2 5.414 2.674 -8.656 1.00 0.00 C ATOM 15 C TYR A 2 6.760 3.330 -8.940 1.00 0.00 C ATOM 16 O TYR A 2 7.789 2.922 -8.452 1.00 0.00 O ATOM 17 CB TYR A 2 4.883 1.918 -9.884 1.00 0.00 C ATOM 18 CG TYR A 2 5.709 2.325 -11.069 1.00 0.00 C ATOM 19 CD1 TYR A 2 6.966 1.753 -11.252 1.00 0.00 C ATOM 20 CD2 TYR A 2 5.256 3.325 -11.925 1.00 0.00 C ATOM 21 CE1 TYR A 2 7.778 2.173 -12.299 1.00 0.00 C ATOM 22 CE2 TYR A 2 6.060 3.745 -12.986 1.00 0.00 C ATOM 23 CZ TYR A 2 7.326 3.171 -13.175 1.00 0.00 C ATOM 24 OH TYR A 2 8.128 3.590 -14.217 1.00 0.00 O ATOM 0 H TYR A 2 4.846 4.695 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 2 5.537 1.988 -7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 2 4.947 0.841 -9.726 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.832 2.154 -10.052 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.310 0.982 -10.579 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.286 3.774 -11.769 1.00 0.00 H new ATOM 0 HE1 TYR A 2 8.754 1.732 -12.438 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.708 4.511 -13.661 1.00 0.00 H new ATOM 0 HH TYR A 2 7.664 4.286 -14.728 1.00 0.00 H new ATOM 34 N LEU A 3 6.739 4.363 -9.734 1.00 0.00 N ATOM 35 CA LEU A 3 7.979 5.072 -10.048 1.00 0.00 C ATOM 36 C LEU A 3 8.691 5.358 -8.740 1.00 0.00 C ATOM 37 O LEU A 3 9.850 5.039 -8.559 1.00 0.00 O ATOM 38 CB LEU A 3 7.512 6.342 -10.715 1.00 0.00 C ATOM 39 CG LEU A 3 8.720 7.167 -11.037 1.00 0.00 C ATOM 40 CD1 LEU A 3 8.936 7.177 -12.547 1.00 0.00 C ATOM 41 CD2 LEU A 3 8.524 8.589 -10.519 1.00 0.00 C ATOM 0 H LEU A 3 5.900 4.739 -10.176 1.00 0.00 H new ATOM 0 HA LEU A 3 8.671 4.523 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.954 6.113 -11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.839 6.892 -10.058 1.00 0.00 H new ATOM 0 HG LEU A 3 9.598 6.738 -10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.815 7.777 -12.785 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.087 6.157 -12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.061 7.605 -13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.404 9.187 -10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.648 9.031 -10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.380 8.566 -9.439 1.00 0.00 H new ATOM 53 N ARG A 4 7.977 5.911 -7.804 1.00 0.00 N ATOM 54 CA ARG A 4 8.583 6.163 -6.476 1.00 0.00 C ATOM 55 C ARG A 4 9.201 4.848 -6.022 1.00 0.00 C ATOM 56 O ARG A 4 10.246 4.808 -5.403 1.00 0.00 O ATOM 57 CB ARG A 4 7.419 6.563 -5.562 1.00 0.00 C ATOM 58 CG ARG A 4 6.522 7.580 -6.275 1.00 0.00 C ATOM 59 CD ARG A 4 5.229 6.895 -6.733 1.00 0.00 C ATOM 60 NE ARG A 4 4.726 7.737 -7.852 1.00 0.00 N ATOM 61 CZ ARG A 4 4.200 8.905 -7.603 1.00 0.00 C ATOM 62 NH1 ARG A 4 3.203 9.007 -6.767 1.00 0.00 N ATOM 63 NH2 ARG A 4 4.671 9.970 -8.190 1.00 0.00 N ATOM 0 H ARG A 4 7.003 6.198 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 4 9.348 6.939 -6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.839 5.681 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.803 6.990 -4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.289 8.407 -5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.045 8.002 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.418 5.873 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.502 6.840 -5.922 1.00 0.00 H new ATOM 0 HE ARG A 4 4.792 7.401 -8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.835 8.174 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.792 9.920 -6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.450 9.890 -8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.260 10.883 -7.996 1.00 0.00 H new ATOM 77 N ARG A 5 8.554 3.761 -6.363 1.00 0.00 N ATOM 78 CA ARG A 5 9.089 2.420 -5.996 1.00 0.00 C ATOM 79 C ARG A 5 10.406 2.165 -6.741 1.00 0.00 C ATOM 80 O ARG A 5 11.372 1.702 -6.169 1.00 0.00 O ATOM 81 CB ARG A 5 7.980 1.426 -6.386 1.00 0.00 C ATOM 82 CG ARG A 5 8.417 0.509 -7.538 1.00 0.00 C ATOM 83 CD ARG A 5 7.211 -0.282 -8.045 1.00 0.00 C ATOM 84 NE ARG A 5 6.694 -1.006 -6.850 1.00 0.00 N ATOM 85 CZ ARG A 5 6.568 -2.304 -6.883 1.00 0.00 C ATOM 86 NH1 ARG A 5 7.576 -3.066 -6.561 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.431 -2.840 -7.235 1.00 0.00 N ATOM 0 H ARG A 5 7.676 3.748 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 5 9.327 2.325 -4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.714 0.820 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.085 1.976 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.843 1.102 -8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.196 -0.173 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.453 0.380 -8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.498 -0.977 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 5 6.439 -0.488 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.464 -2.647 -6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.477 -4.081 -6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.642 -2.244 -7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.332 -3.855 -7.261 1.00 0.00 H new ATOM 101 N PHE A 6 10.454 2.476 -8.006 1.00 0.00 N ATOM 102 CA PHE A 6 11.711 2.265 -8.772 1.00 0.00 C ATOM 103 C PHE A 6 12.770 3.255 -8.274 1.00 0.00 C ATOM 104 O PHE A 6 13.884 2.887 -7.956 1.00 0.00 O ATOM 105 CB PHE A 6 11.318 2.512 -10.233 1.00 0.00 C ATOM 106 CG PHE A 6 12.335 3.354 -10.941 1.00 0.00 C ATOM 107 CD1 PHE A 6 12.254 4.742 -10.869 1.00 0.00 C ATOM 108 CD2 PHE A 6 13.345 2.743 -11.679 1.00 0.00 C ATOM 109 CE1 PHE A 6 13.191 5.527 -11.536 1.00 0.00 C ATOM 110 CE2 PHE A 6 14.283 3.523 -12.349 1.00 0.00 C ATOM 111 CZ PHE A 6 14.210 4.919 -12.280 1.00 0.00 C ATOM 0 H PHE A 6 9.678 2.866 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 6 12.141 1.271 -8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.212 1.558 -10.749 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.346 3.005 -10.271 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.466 5.209 -10.297 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.401 1.666 -11.732 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.132 6.604 -11.480 1.00 0.00 H new ATOM 0 HE2 PHE A 6 15.067 3.051 -12.922 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.937 5.526 -12.799 1.00 0.00 H new ATOM 121 N PHE A 7 12.419 4.510 -8.197 1.00 0.00 N ATOM 122 CA PHE A 7 13.382 5.531 -7.717 1.00 0.00 C ATOM 123 C PHE A 7 13.962 5.120 -6.367 1.00 0.00 C ATOM 124 O PHE A 7 15.130 5.311 -6.096 1.00 0.00 O ATOM 125 CB PHE A 7 12.562 6.802 -7.590 1.00 0.00 C ATOM 126 CG PHE A 7 12.731 7.602 -8.849 1.00 0.00 C ATOM 127 CD1 PHE A 7 14.006 8.015 -9.237 1.00 0.00 C ATOM 128 CD2 PHE A 7 11.618 7.912 -9.639 1.00 0.00 C ATOM 129 CE1 PHE A 7 14.176 8.743 -10.415 1.00 0.00 C ATOM 130 CE2 PHE A 7 11.786 8.643 -10.819 1.00 0.00 C ATOM 131 CZ PHE A 7 13.067 9.060 -11.208 1.00 0.00 C ATOM 0 H PHE A 7 11.499 4.870 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 7 14.229 5.657 -8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.511 6.561 -7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.890 7.380 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.862 7.771 -8.625 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.633 7.588 -9.338 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.163 9.062 -10.715 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.930 8.886 -11.430 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.198 9.625 -12.119 1.00 0.00 H new ATOM 141 N LYS A 8 13.155 4.546 -5.518 1.00 0.00 N ATOM 142 CA LYS A 8 13.660 4.113 -4.193 1.00 0.00 C ATOM 143 C LYS A 8 14.926 3.276 -4.367 1.00 0.00 C ATOM 144 O LYS A 8 15.713 3.122 -3.453 1.00 0.00 O ATOM 145 CB LYS A 8 12.535 3.284 -3.595 1.00 0.00 C ATOM 146 CG LYS A 8 11.923 4.030 -2.409 1.00 0.00 C ATOM 147 CD LYS A 8 10.410 3.798 -2.386 1.00 0.00 C ATOM 148 CE LYS A 8 10.124 2.297 -2.306 1.00 0.00 C ATOM 149 NZ LYS A 8 10.430 1.921 -0.897 1.00 0.00 N ATOM 0 H LYS A 8 12.167 4.360 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 8 13.924 4.952 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.772 3.090 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.916 2.315 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.369 3.682 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.137 5.096 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.966 4.309 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.953 4.219 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.086 2.079 -2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.745 1.739 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.718 1.244 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.373 1.485 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.413 2.772 -0.299 1.00 0.00 H new ATOM 163 N ALA A 9 15.136 2.747 -5.541 1.00 0.00 N ATOM 164 CA ALA A 9 16.351 1.941 -5.784 1.00 0.00 C ATOM 165 C ALA A 9 17.402 2.826 -6.447 1.00 0.00 C ATOM 166 O ALA A 9 18.586 2.564 -6.390 1.00 0.00 O ATOM 167 CB ALA A 9 15.912 0.816 -6.721 1.00 0.00 C ATOM 0 H ALA A 9 14.512 2.842 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 9 16.786 1.538 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.765 0.176 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.132 0.226 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.526 1.243 -7.646 1.00 0.00 H new ATOM 173 N LYS A 10 16.961 3.884 -7.068 1.00 0.00 N ATOM 174 CA LYS A 10 17.894 4.810 -7.734 1.00 0.00 C ATOM 175 C LYS A 10 18.661 5.621 -6.687 1.00 0.00 C ATOM 176 O LYS A 10 19.875 5.627 -6.662 1.00 0.00 O ATOM 177 CB LYS A 10 16.993 5.708 -8.562 1.00 0.00 C ATOM 178 CG LYS A 10 17.657 6.024 -9.900 1.00 0.00 C ATOM 179 CD LYS A 10 17.395 4.876 -10.875 1.00 0.00 C ATOM 180 CE LYS A 10 18.281 5.043 -12.111 1.00 0.00 C ATOM 181 NZ LYS A 10 17.570 4.308 -13.195 1.00 0.00 N ATOM 0 H LYS A 10 15.977 4.143 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 10 18.642 4.302 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.033 5.219 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.790 6.632 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.263 6.957 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.729 6.163 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.602 3.921 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.345 4.865 -11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.410 6.095 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.276 4.632 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.681 4.821 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.972 3.354 -13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.559 4.236 -12.961 1.00 0.00 H new ATOM 195 N LYS A 11 17.961 6.300 -5.818 1.00 0.00 N ATOM 196 CA LYS A 11 18.657 7.102 -4.777 1.00 0.00 C ATOM 197 C LYS A 11 19.740 6.255 -4.107 1.00 0.00 C ATOM 198 O LYS A 11 20.712 6.767 -3.586 1.00 0.00 O ATOM 199 CB LYS A 11 17.569 7.477 -3.771 1.00 0.00 C ATOM 200 CG LYS A 11 17.438 8.999 -3.708 1.00 0.00 C ATOM 201 CD LYS A 11 18.597 9.579 -2.894 1.00 0.00 C ATOM 202 CE LYS A 11 18.488 11.105 -2.865 1.00 0.00 C ATOM 203 NZ LYS A 11 19.458 11.537 -1.819 1.00 0.00 N ATOM 0 H LYS A 11 16.942 6.333 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 11 19.148 7.984 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.618 7.031 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.817 7.081 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.442 9.417 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.487 9.274 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.576 9.183 -1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.549 9.280 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.734 11.537 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.475 11.425 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.443 12.574 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.195 11.115 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.414 11.224 -2.082 1.00 0.00 H new ATOM 217 N LEU A 12 19.570 4.962 -4.109 1.00 0.00 N ATOM 218 CA LEU A 12 20.570 4.073 -3.469 1.00 0.00 C ATOM 219 C LEU A 12 21.880 4.063 -4.263 1.00 0.00 C ATOM 220 O LEU A 12 22.908 3.645 -3.768 1.00 0.00 O ATOM 221 CB LEU A 12 19.926 2.687 -3.478 1.00 0.00 C ATOM 222 CG LEU A 12 18.542 2.766 -2.831 1.00 0.00 C ATOM 223 CD1 LEU A 12 18.017 1.352 -2.577 1.00 0.00 C ATOM 224 CD2 LEU A 12 18.641 3.518 -1.501 1.00 0.00 C ATOM 0 H LEU A 12 18.774 4.483 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 12 20.823 4.404 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.841 2.320 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.553 1.979 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 12 17.860 3.294 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.031 1.407 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.946 0.815 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.700 0.825 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.655 3.574 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.323 2.990 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 12 19.016 4.526 -1.680 1.00 0.00 H new ATOM 236 N ILE A 13 21.857 4.517 -5.487 1.00 0.00 N ATOM 237 CA ILE A 13 23.116 4.521 -6.294 1.00 0.00 C ATOM 238 C ILE A 13 23.162 5.709 -7.238 1.00 0.00 C ATOM 239 O ILE A 13 23.434 5.579 -8.416 1.00 0.00 O ATOM 240 CB ILE A 13 23.122 3.212 -7.085 1.00 0.00 C ATOM 241 CG1 ILE A 13 21.717 2.873 -7.592 1.00 0.00 C ATOM 242 CG2 ILE A 13 23.622 2.076 -6.192 1.00 0.00 C ATOM 243 CD1 ILE A 13 21.684 3.004 -9.116 1.00 0.00 C ATOM 0 H ILE A 13 21.031 4.882 -5.961 1.00 0.00 H new ATOM 0 HA ILE A 13 23.989 4.603 -5.646 1.00 0.00 H new ATOM 0 HB ILE A 13 23.784 3.333 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 13 21.446 1.859 -7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 13 20.984 3.543 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 13 23.626 1.144 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 13 24.634 2.299 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 13 22.964 1.975 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.685 2.763 -9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.937 4.026 -9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 13 22.406 2.316 -9.556 1.00 0.00 H new ATOM 255 N GLU A 14 22.885 6.864 -6.731 1.00 0.00 N ATOM 256 CA GLU A 14 22.891 8.072 -7.570 1.00 0.00 C ATOM 257 C GLU A 14 23.668 9.199 -6.887 1.00 0.00 C ATOM 258 O GLU A 14 23.964 9.062 -5.712 1.00 0.00 O ATOM 259 CB GLU A 14 21.420 8.407 -7.682 1.00 0.00 C ATOM 260 CG GLU A 14 20.719 7.278 -8.429 1.00 0.00 C ATOM 261 CD GLU A 14 20.697 7.584 -9.927 1.00 0.00 C ATOM 262 OE1 GLU A 14 20.362 8.702 -10.280 1.00 0.00 O ATOM 263 OE2 GLU A 14 21.017 6.694 -10.697 1.00 0.00 O ATOM 264 OXT GLU A 14 23.955 10.182 -7.551 1.00 0.00 O ATOM 0 H GLU A 14 22.650 7.023 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 14 23.372 7.932 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.984 8.532 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.286 9.351 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.235 6.335 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.701 7.161 -8.057 1.00 0.00 H new TER 271 GLU A 14 ATOM 272 N CYS B 1 0.231 4.887 -0.919 1.00 0.00 N ATOM 273 CA CYS B 1 1.317 4.566 -1.890 1.00 0.00 C ATOM 274 C CYS B 1 2.675 4.671 -1.215 1.00 0.00 C ATOM 275 O CYS B 1 3.708 4.607 -1.853 1.00 0.00 O ATOM 276 CB CYS B 1 1.179 5.607 -2.999 1.00 0.00 C ATOM 277 SG CYS B 1 0.351 4.862 -4.428 1.00 0.00 S ATOM 0 H1 CYS B 1 -0.683 4.911 -1.415 1.00 0.00 H new ATOM 0 H2 CYS B 1 0.203 4.159 -0.177 1.00 0.00 H new ATOM 0 H3 CYS B 1 0.415 5.815 -0.487 1.00 0.00 H new ATOM 0 HA CYS B 1 1.238 3.550 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS B 1 0.608 6.463 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS B 1 2.162 5.979 -3.288 1.00 0.00 H new ATOM 284 N TYR B 2 2.686 4.808 0.074 1.00 0.00 N ATOM 285 CA TYR B 2 3.975 4.885 0.792 1.00 0.00 C ATOM 286 C TYR B 2 4.095 3.653 1.695 1.00 0.00 C ATOM 287 O TYR B 2 5.173 3.232 2.059 1.00 0.00 O ATOM 288 CB TYR B 2 3.903 6.189 1.603 1.00 0.00 C ATOM 289 CG TYR B 2 3.309 5.902 2.956 1.00 0.00 C ATOM 290 CD1 TYR B 2 4.098 5.300 3.939 1.00 0.00 C ATOM 291 CD2 TYR B 2 1.972 6.204 3.212 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.551 4.997 5.183 1.00 0.00 C ATOM 293 CE2 TYR B 2 1.420 5.907 4.459 1.00 0.00 C ATOM 294 CZ TYR B 2 2.208 5.301 5.449 1.00 0.00 C ATOM 295 OH TYR B 2 1.661 5.003 6.680 1.00 0.00 O ATOM 0 H TYR B 2 1.855 4.870 0.662 1.00 0.00 H new ATOM 0 HA TYR B 2 4.847 4.893 0.138 1.00 0.00 H new ATOM 0 HB2 TYR B 2 4.899 6.617 1.714 1.00 0.00 H new ATOM 0 HB3 TYR B 2 3.297 6.925 1.076 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.133 5.069 3.734 1.00 0.00 H new ATOM 0 HD2 TYR B 2 1.365 6.666 2.447 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.160 4.529 5.942 1.00 0.00 H new ATOM 0 HE2 TYR B 2 0.386 6.144 4.662 1.00 0.00 H new ATOM 0 HH TYR B 2 0.721 5.281 6.696 1.00 0.00 H new ATOM 305 N LEU B 3 2.976 3.072 2.048 1.00 0.00 N ATOM 306 CA LEU B 3 2.999 1.864 2.912 1.00 0.00 C ATOM 307 C LEU B 3 4.048 0.910 2.376 1.00 0.00 C ATOM 308 O LEU B 3 5.025 0.605 3.032 1.00 0.00 O ATOM 309 CB LEU B 3 1.610 1.264 2.788 1.00 0.00 C ATOM 310 CG LEU B 3 0.757 1.713 3.956 1.00 0.00 C ATOM 311 CD1 LEU B 3 0.701 3.240 3.986 1.00 0.00 C ATOM 312 CD2 LEU B 3 -0.656 1.149 3.802 1.00 0.00 C ATOM 0 H LEU B 3 2.046 3.387 1.771 1.00 0.00 H new ATOM 0 HA LEU B 3 3.243 2.080 3.952 1.00 0.00 H new ATOM 0 HB2 LEU B 3 1.151 1.574 1.849 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.673 0.176 2.768 1.00 0.00 H new ATOM 0 HG LEU B 3 1.191 1.348 4.887 1.00 0.00 H new ATOM 0 HD11 LEU B 3 0.087 3.565 4.826 1.00 0.00 H new ATOM 0 HD12 LEU B 3 1.709 3.639 4.097 1.00 0.00 H new ATOM 0 HD13 LEU B 3 0.266 3.606 3.056 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.270 1.472 4.643 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -1.093 1.512 2.872 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -0.613 0.060 3.781 1.00 0.00 H new ATOM 324 N ARG B 4 3.866 0.462 1.166 1.00 0.00 N ATOM 325 CA ARG B 4 4.867 -0.445 0.559 1.00 0.00 C ATOM 326 C ARG B 4 6.261 0.111 0.852 1.00 0.00 C ATOM 327 O ARG B 4 7.226 -0.618 0.931 1.00 0.00 O ATOM 328 CB ARG B 4 4.570 -0.435 -0.944 1.00 0.00 C ATOM 329 CG ARG B 4 4.734 0.983 -1.509 1.00 0.00 C ATOM 330 CD ARG B 4 3.446 1.806 -1.338 1.00 0.00 C ATOM 331 NE ARG B 4 2.310 0.852 -1.475 1.00 0.00 N ATOM 332 CZ ARG B 4 2.093 0.249 -2.614 1.00 0.00 C ATOM 333 NH1 ARG B 4 2.297 0.882 -3.737 1.00 0.00 N ATOM 334 NH2 ARG B 4 1.674 -0.987 -2.628 1.00 0.00 N ATOM 0 H ARG B 4 3.066 0.687 0.574 1.00 0.00 H new ATOM 0 HA ARG B 4 4.824 -1.461 0.951 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.244 -1.120 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG B 4 3.555 -0.791 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG B 4 5.559 1.485 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG B 4 4.995 0.928 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG B 4 3.425 2.296 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG B 4 3.385 2.592 -2.091 1.00 0.00 H new ATOM 0 HE ARG B 4 1.700 0.669 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG B 4 2.626 1.847 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG B 4 2.128 0.411 -4.626 1.00 0.00 H new ATOM 0 HH21 ARG B 4 1.516 -1.482 -1.750 1.00 0.00 H new ATOM 0 HH22 ARG B 4 1.504 -1.458 -3.517 1.00 0.00 H new ATOM 348 N ARG B 5 6.361 1.404 1.032 1.00 0.00 N ATOM 349 CA ARG B 5 7.688 2.009 1.350 1.00 0.00 C ATOM 350 C ARG B 5 7.944 1.934 2.858 1.00 0.00 C ATOM 351 O ARG B 5 9.054 1.711 3.300 1.00 0.00 O ATOM 352 CB ARG B 5 7.607 3.463 0.844 1.00 0.00 C ATOM 353 CG ARG B 5 7.584 4.467 2.008 1.00 0.00 C ATOM 354 CD ARG B 5 7.080 5.822 1.511 1.00 0.00 C ATOM 355 NE ARG B 5 8.262 6.468 0.874 1.00 0.00 N ATOM 356 CZ ARG B 5 8.092 7.436 0.017 1.00 0.00 C ATOM 357 NH1 ARG B 5 7.429 7.220 -1.087 1.00 0.00 N ATOM 358 NH2 ARG B 5 8.579 8.621 0.261 1.00 0.00 N ATOM 0 H ARG B 5 5.585 2.063 0.973 1.00 0.00 H new ATOM 0 HA ARG B 5 8.518 1.485 0.875 1.00 0.00 H new ATOM 0 HB2 ARG B 5 8.460 3.672 0.199 1.00 0.00 H new ATOM 0 HB3 ARG B 5 6.710 3.588 0.237 1.00 0.00 H new ATOM 0 HG2 ARG B 5 6.939 4.099 2.806 1.00 0.00 H new ATOM 0 HG3 ARG B 5 8.584 4.572 2.430 1.00 0.00 H new ATOM 0 HD2 ARG B 5 6.265 5.701 0.798 1.00 0.00 H new ATOM 0 HD3 ARG B 5 6.697 6.426 2.334 1.00 0.00 H new ATOM 0 HE ARG B 5 9.204 6.153 1.108 1.00 0.00 H new ATOM 0 HH11 ARG B 5 7.045 6.295 -1.278 1.00 0.00 H new ATOM 0 HH12 ARG B 5 7.295 7.977 -1.758 1.00 0.00 H new ATOM 0 HH21 ARG B 5 9.095 8.793 1.124 1.00 0.00 H new ATOM 0 HH22 ARG B 5 8.444 9.376 -0.411 1.00 0.00 H new ATOM 372 N PHE B 6 6.926 2.114 3.648 1.00 0.00 N ATOM 373 CA PHE B 6 7.110 2.046 5.121 1.00 0.00 C ATOM 374 C PHE B 6 7.056 0.585 5.573 1.00 0.00 C ATOM 375 O PHE B 6 7.917 0.112 6.289 1.00 0.00 O ATOM 376 CB PHE B 6 5.952 2.853 5.695 1.00 0.00 C ATOM 377 CG PHE B 6 5.658 2.419 7.093 1.00 0.00 C ATOM 378 CD1 PHE B 6 6.374 2.970 8.152 1.00 0.00 C ATOM 379 CD2 PHE B 6 4.661 1.477 7.326 1.00 0.00 C ATOM 380 CE1 PHE B 6 6.093 2.574 9.458 1.00 0.00 C ATOM 381 CE2 PHE B 6 4.377 1.077 8.629 1.00 0.00 C ATOM 382 CZ PHE B 6 5.092 1.625 9.702 1.00 0.00 C ATOM 0 H PHE B 6 5.974 2.305 3.337 1.00 0.00 H new ATOM 0 HA PHE B 6 8.069 2.442 5.454 1.00 0.00 H new ATOM 0 HB2 PHE B 6 6.198 3.915 5.681 1.00 0.00 H new ATOM 0 HB3 PHE B 6 5.066 2.723 5.073 1.00 0.00 H new ATOM 0 HD1 PHE B 6 7.145 3.702 7.962 1.00 0.00 H new ATOM 0 HD2 PHE B 6 4.109 1.057 6.498 1.00 0.00 H new ATOM 0 HE1 PHE B 6 6.647 2.999 10.282 1.00 0.00 H new ATOM 0 HE2 PHE B 6 3.605 0.344 8.813 1.00 0.00 H new ATOM 0 HZ PHE B 6 4.872 1.317 10.714 1.00 0.00 H new ATOM 392 N PHE B 7 6.052 -0.134 5.152 1.00 0.00 N ATOM 393 CA PHE B 7 5.940 -1.558 5.544 1.00 0.00 C ATOM 394 C PHE B 7 7.207 -2.316 5.151 1.00 0.00 C ATOM 395 O PHE B 7 7.708 -3.131 5.899 1.00 0.00 O ATOM 396 CB PHE B 7 4.735 -2.078 4.781 1.00 0.00 C ATOM 397 CG PHE B 7 3.657 -2.444 5.765 1.00 0.00 C ATOM 398 CD1 PHE B 7 3.946 -3.320 6.814 1.00 0.00 C ATOM 399 CD2 PHE B 7 2.374 -1.902 5.634 1.00 0.00 C ATOM 400 CE1 PHE B 7 2.954 -3.660 7.735 1.00 0.00 C ATOM 401 CE2 PHE B 7 1.378 -2.241 6.557 1.00 0.00 C ATOM 402 CZ PHE B 7 1.668 -3.121 7.608 1.00 0.00 C ATOM 0 H PHE B 7 5.303 0.210 4.551 1.00 0.00 H new ATOM 0 HA PHE B 7 5.823 -1.687 6.620 1.00 0.00 H new ATOM 0 HB2 PHE B 7 4.371 -1.319 4.088 1.00 0.00 H new ATOM 0 HB3 PHE B 7 5.012 -2.947 4.185 1.00 0.00 H new ATOM 0 HD1 PHE B 7 4.938 -3.735 6.912 1.00 0.00 H new ATOM 0 HD2 PHE B 7 2.153 -1.224 4.823 1.00 0.00 H new ATOM 0 HE1 PHE B 7 3.178 -4.338 8.545 1.00 0.00 H new ATOM 0 HE2 PHE B 7 0.386 -1.824 6.459 1.00 0.00 H new ATOM 0 HZ PHE B 7 0.900 -3.384 8.320 1.00 0.00 H new ATOM 412 N LYS B 8 7.735 -2.048 3.989 1.00 0.00 N ATOM 413 CA LYS B 8 8.974 -2.748 3.570 1.00 0.00 C ATOM 414 C LYS B 8 10.002 -2.679 4.696 1.00 0.00 C ATOM 415 O LYS B 8 10.885 -3.507 4.802 1.00 0.00 O ATOM 416 CB LYS B 8 9.459 -2.002 2.338 1.00 0.00 C ATOM 417 CG LYS B 8 9.464 -2.950 1.136 1.00 0.00 C ATOM 418 CD LYS B 8 10.247 -2.315 -0.014 1.00 0.00 C ATOM 419 CE LYS B 8 9.275 -1.622 -0.972 1.00 0.00 C ATOM 420 NZ LYS B 8 9.819 -1.894 -2.332 1.00 0.00 N ATOM 0 H LYS B 8 7.362 -1.378 3.317 1.00 0.00 H new ATOM 0 HA LYS B 8 8.809 -3.803 3.351 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.812 -1.148 2.139 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.461 -1.609 2.509 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.914 -3.903 1.413 1.00 0.00 H new ATOM 0 HG3 LYS B 8 8.442 -3.160 0.821 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.966 -1.594 0.376 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.816 -3.078 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS B 8 8.265 -2.017 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS B 8 9.221 -0.551 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 9.206 -1.451 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 10.779 -1.501 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 9.852 -2.921 -2.494 1.00 0.00 H new ATOM 434 N ALA B 9 9.878 -1.702 5.551 1.00 0.00 N ATOM 435 CA ALA B 9 10.819 -1.578 6.684 1.00 0.00 C ATOM 436 C ALA B 9 10.260 -2.366 7.865 1.00 0.00 C ATOM 437 O ALA B 9 10.980 -2.825 8.729 1.00 0.00 O ATOM 438 CB ALA B 9 10.876 -0.084 7.003 1.00 0.00 C ATOM 0 H ALA B 9 9.157 -0.982 5.508 1.00 0.00 H new ATOM 0 HA ALA B 9 11.813 -1.966 6.462 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.558 0.084 7.837 1.00 0.00 H new ATOM 0 HB2 ALA B 9 11.231 0.461 6.129 1.00 0.00 H new ATOM 0 HB3 ALA B 9 9.880 0.269 7.271 1.00 0.00 H new ATOM 444 N LYS B 10 8.967 -2.531 7.888 1.00 0.00 N ATOM 445 CA LYS B 10 8.316 -3.287 8.975 1.00 0.00 C ATOM 446 C LYS B 10 8.732 -4.757 8.910 1.00 0.00 C ATOM 447 O LYS B 10 9.339 -5.282 9.821 1.00 0.00 O ATOM 448 CB LYS B 10 6.835 -3.132 8.686 1.00 0.00 C ATOM 449 CG LYS B 10 6.048 -3.051 9.995 1.00 0.00 C ATOM 450 CD LYS B 10 5.950 -1.592 10.442 1.00 0.00 C ATOM 451 CE LYS B 10 6.825 -1.374 11.679 1.00 0.00 C ATOM 452 NZ LYS B 10 5.990 -1.825 12.828 1.00 0.00 N ATOM 0 H LYS B 10 8.329 -2.164 7.182 1.00 0.00 H new ATOM 0 HA LYS B 10 8.586 -2.931 9.969 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.665 -2.233 8.094 1.00 0.00 H new ATOM 0 HB3 LYS B 10 6.482 -3.976 8.093 1.00 0.00 H new ATOM 0 HG2 LYS B 10 5.050 -3.468 9.858 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.540 -3.646 10.765 1.00 0.00 H new ATOM 0 HD2 LYS B 10 6.271 -0.932 9.636 1.00 0.00 H new ATOM 0 HD3 LYS B 10 4.914 -1.339 10.668 1.00 0.00 H new ATOM 0 HE2 LYS B 10 7.750 -1.948 11.614 1.00 0.00 H new ATOM 0 HE3 LYS B 10 7.107 -0.326 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 6.336 -1.382 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 5.000 -1.549 12.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 6.051 -2.859 12.916 1.00 0.00 H new ATOM 466 N LYS B 11 8.418 -5.425 7.834 1.00 0.00 N ATOM 467 CA LYS B 11 8.806 -6.855 7.717 1.00 0.00 C ATOM 468 C LYS B 11 10.272 -7.030 8.123 1.00 0.00 C ATOM 469 O LYS B 11 10.658 -8.035 8.685 1.00 0.00 O ATOM 470 CB LYS B 11 8.612 -7.199 6.240 1.00 0.00 C ATOM 471 CG LYS B 11 7.117 -7.320 5.936 1.00 0.00 C ATOM 472 CD LYS B 11 6.489 -8.359 6.867 1.00 0.00 C ATOM 473 CE LYS B 11 5.103 -8.743 6.343 1.00 0.00 C ATOM 474 NZ LYS B 11 4.384 -9.303 7.522 1.00 0.00 N ATOM 0 H LYS B 11 7.912 -5.043 7.035 1.00 0.00 H new ATOM 0 HA LYS B 11 8.214 -7.502 8.364 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.060 -6.427 5.614 1.00 0.00 H new ATOM 0 HB3 LYS B 11 9.119 -8.135 6.004 1.00 0.00 H new ATOM 0 HG2 LYS B 11 6.629 -6.355 6.069 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.969 -7.611 4.896 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.125 -9.242 6.925 1.00 0.00 H new ATOM 0 HD3 LYS B 11 6.409 -7.957 7.877 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.581 -7.876 5.938 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.174 -9.476 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.425 -9.589 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.900 -10.131 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 4.325 -8.581 8.268 1.00 0.00 H new ATOM 488 N LEU B 12 11.091 -6.055 7.834 1.00 0.00 N ATOM 489 CA LEU B 12 12.529 -6.153 8.189 1.00 0.00 C ATOM 490 C LEU B 12 12.724 -6.049 9.706 1.00 0.00 C ATOM 491 O LEU B 12 13.818 -6.208 10.210 1.00 0.00 O ATOM 492 CB LEU B 12 13.190 -4.974 7.477 1.00 0.00 C ATOM 493 CG LEU B 12 13.298 -5.285 5.984 1.00 0.00 C ATOM 494 CD1 LEU B 12 14.034 -4.149 5.277 1.00 0.00 C ATOM 495 CD2 LEU B 12 14.072 -6.591 5.793 1.00 0.00 C ATOM 0 H LEU B 12 10.820 -5.191 7.364 1.00 0.00 H new ATOM 0 HA LEU B 12 12.960 -7.108 7.889 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.605 -4.067 7.630 1.00 0.00 H new ATOM 0 HB3 LEU B 12 14.180 -4.790 7.895 1.00 0.00 H new ATOM 0 HG LEU B 12 12.299 -5.387 5.561 1.00 0.00 H new ATOM 0 HD11 LEU B 12 14.110 -4.372 4.213 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.484 -3.218 5.414 1.00 0.00 H new ATOM 0 HD13 LEU B 12 15.034 -4.045 5.699 1.00 0.00 H new ATOM 0 HD21 LEU B 12 14.150 -6.815 4.729 1.00 0.00 H new ATOM 0 HD22 LEU B 12 15.071 -6.487 6.217 1.00 0.00 H new ATOM 0 HD23 LEU B 12 13.547 -7.402 6.297 1.00 0.00 H new ATOM 507 N ILE B 13 11.675 -5.791 10.441 1.00 0.00 N ATOM 508 CA ILE B 13 11.819 -5.687 11.923 1.00 0.00 C ATOM 509 C ILE B 13 10.575 -6.204 12.625 1.00 0.00 C ATOM 510 O ILE B 13 10.040 -5.585 13.523 1.00 0.00 O ATOM 511 CB ILE B 13 12.041 -4.203 12.236 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.168 -3.319 11.342 1.00 0.00 C ATOM 513 CG2 ILE B 13 13.511 -3.846 12.013 1.00 0.00 C ATOM 514 CD1 ILE B 13 10.075 -2.665 12.189 1.00 0.00 C ATOM 0 H ILE B 13 10.731 -5.649 10.083 1.00 0.00 H new ATOM 0 HA ILE B 13 12.654 -6.292 12.277 1.00 0.00 H new ATOM 0 HB ILE B 13 11.767 -4.028 13.276 1.00 0.00 H new ATOM 0 HG12 ILE B 13 11.778 -2.554 10.861 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.720 -3.916 10.547 1.00 0.00 H new ATOM 0 HG21 ILE B 13 13.667 -2.791 12.236 1.00 0.00 H new ATOM 0 HG22 ILE B 13 14.136 -4.452 12.669 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.779 -4.041 10.975 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.452 -2.035 11.555 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.460 -3.438 12.649 1.00 0.00 H new ATOM 0 HD13 ILE B 13 10.534 -2.055 12.967 1.00 0.00 H new ATOM 526 N GLU B 14 10.109 -7.335 12.205 1.00 0.00 N ATOM 527 CA GLU B 14 8.901 -7.923 12.802 1.00 0.00 C ATOM 528 C GLU B 14 9.132 -9.396 13.151 1.00 0.00 C ATOM 529 O GLU B 14 9.184 -10.201 12.235 1.00 0.00 O ATOM 530 CB GLU B 14 7.880 -7.778 11.693 1.00 0.00 C ATOM 531 CG GLU B 14 7.643 -6.293 11.447 1.00 0.00 C ATOM 532 CD GLU B 14 6.436 -5.824 12.261 1.00 0.00 C ATOM 533 OE1 GLU B 14 5.576 -6.644 12.534 1.00 0.00 O ATOM 534 OE2 GLU B 14 6.392 -4.652 12.598 1.00 0.00 O ATOM 535 OXT GLU B 14 9.253 -9.694 14.328 1.00 0.00 O ATOM 0 H GLU B 14 10.527 -7.886 11.456 1.00 0.00 H new ATOM 0 HA GLU B 14 8.596 -7.446 13.733 1.00 0.00 H new ATOM 0 HB2 GLU B 14 8.237 -8.261 10.783 1.00 0.00 H new ATOM 0 HB3 GLU B 14 6.947 -8.270 11.970 1.00 0.00 H new ATOM 0 HG2 GLU B 14 8.528 -5.722 11.728 1.00 0.00 H new ATOM 0 HG3 GLU B 14 7.471 -6.113 10.386 1.00 0.00 H new TER 542 GLU B 14 ATOM 543 N CYS C 1 23.821 -4.465 8.069 1.00 0.00 N ATOM 544 CA CYS C 1 23.677 -3.962 6.672 1.00 0.00 C ATOM 545 C CYS C 1 22.220 -3.985 6.256 1.00 0.00 C ATOM 546 O CYS C 1 21.843 -4.580 5.265 1.00 0.00 O ATOM 547 CB CYS C 1 24.500 -4.919 5.814 1.00 0.00 C ATOM 548 SG CYS C 1 26.236 -4.403 5.820 1.00 0.00 S ATOM 0 H1 CYS C 1 24.824 -4.445 8.344 1.00 0.00 H new ATOM 0 H2 CYS C 1 23.273 -3.860 8.714 1.00 0.00 H new ATOM 0 H3 CYS C 1 23.466 -5.441 8.125 1.00 0.00 H new ATOM 0 HA CYS C 1 24.019 -2.932 6.567 1.00 0.00 H new ATOM 0 HB2 CYS C 1 24.411 -5.935 6.198 1.00 0.00 H new ATOM 0 HB3 CYS C 1 24.117 -4.929 4.794 1.00 0.00 H new ATOM 555 N TYR C 2 21.405 -3.321 7.005 1.00 0.00 N ATOM 556 CA TYR C 2 19.969 -3.265 6.673 1.00 0.00 C ATOM 557 C TYR C 2 19.284 -2.265 7.607 1.00 0.00 C ATOM 558 O TYR C 2 18.350 -1.594 7.228 1.00 0.00 O ATOM 559 CB TYR C 2 19.463 -4.704 6.851 1.00 0.00 C ATOM 560 CG TYR C 2 18.740 -4.830 8.159 1.00 0.00 C ATOM 561 CD1 TYR C 2 17.464 -4.284 8.292 1.00 0.00 C ATOM 562 CD2 TYR C 2 19.352 -5.467 9.234 1.00 0.00 C ATOM 563 CE1 TYR C 2 16.790 -4.378 9.507 1.00 0.00 C ATOM 564 CE2 TYR C 2 18.685 -5.566 10.453 1.00 0.00 C ATOM 565 CZ TYR C 2 17.400 -5.021 10.595 1.00 0.00 C ATOM 566 OH TYR C 2 16.736 -5.117 11.801 1.00 0.00 O ATOM 0 H TYR C 2 21.675 -2.808 7.844 1.00 0.00 H new ATOM 0 HA TYR C 2 19.760 -2.923 5.660 1.00 0.00 H new ATOM 0 HB2 TYR C 2 18.797 -4.969 6.030 1.00 0.00 H new ATOM 0 HB3 TYR C 2 20.301 -5.400 6.820 1.00 0.00 H new ATOM 0 HD1 TYR C 2 16.998 -3.788 7.453 1.00 0.00 H new ATOM 0 HD2 TYR C 2 20.342 -5.884 9.124 1.00 0.00 H new ATOM 0 HE1 TYR C 2 15.801 -3.957 9.612 1.00 0.00 H new ATOM 0 HE2 TYR C 2 19.157 -6.062 11.288 1.00 0.00 H new ATOM 0 HH TYR C 2 17.299 -5.593 12.447 1.00 0.00 H new ATOM 576 N LEU C 3 19.764 -2.138 8.819 1.00 0.00 N ATOM 577 CA LEU C 3 19.163 -1.147 9.749 1.00 0.00 C ATOM 578 C LEU C 3 18.990 0.147 8.975 1.00 0.00 C ATOM 579 O LEU C 3 18.067 0.911 9.179 1.00 0.00 O ATOM 580 CB LEU C 3 20.190 -0.974 10.852 1.00 0.00 C ATOM 581 CG LEU C 3 19.837 -1.855 12.029 1.00 0.00 C ATOM 582 CD1 LEU C 3 19.875 -3.320 11.604 1.00 0.00 C ATOM 583 CD2 LEU C 3 20.850 -1.628 13.148 1.00 0.00 C ATOM 0 H LEU C 3 20.542 -2.677 9.199 1.00 0.00 H new ATOM 0 HA LEU C 3 18.197 -1.446 10.157 1.00 0.00 H new ATOM 0 HB2 LEU C 3 21.182 -1.230 10.480 1.00 0.00 H new ATOM 0 HB3 LEU C 3 20.227 0.069 11.166 1.00 0.00 H new ATOM 0 HG LEU C 3 18.836 -1.607 12.381 1.00 0.00 H new ATOM 0 HD11 LEU C 3 19.620 -3.952 12.455 1.00 0.00 H new ATOM 0 HD12 LEU C 3 19.156 -3.485 10.801 1.00 0.00 H new ATOM 0 HD13 LEU C 3 20.876 -3.571 11.252 1.00 0.00 H new ATOM 0 HD21 LEU C 3 20.600 -2.261 13.999 1.00 0.00 H new ATOM 0 HD22 LEU C 3 21.849 -1.878 12.791 1.00 0.00 H new ATOM 0 HD23 LEU C 3 20.826 -0.582 13.454 1.00 0.00 H new ATOM 595 N ARG C 4 19.878 0.357 8.047 1.00 0.00 N ATOM 596 CA ARG C 4 19.805 1.552 7.185 1.00 0.00 C ATOM 597 C ARG C 4 18.516 1.466 6.386 1.00 0.00 C ATOM 598 O ARG C 4 17.752 2.405 6.307 1.00 0.00 O ATOM 599 CB ARG C 4 21.020 1.452 6.258 1.00 0.00 C ATOM 600 CG ARG C 4 22.271 1.073 7.068 1.00 0.00 C ATOM 601 CD ARG C 4 22.676 -0.397 6.824 1.00 0.00 C ATOM 602 NE ARG C 4 22.343 -0.697 5.405 1.00 0.00 N ATOM 603 CZ ARG C 4 22.991 -0.105 4.439 1.00 0.00 C ATOM 604 NH1 ARG C 4 24.127 0.491 4.683 1.00 0.00 N ATOM 605 NH2 ARG C 4 22.505 -0.110 3.230 1.00 0.00 N ATOM 0 H ARG C 4 20.663 -0.264 7.851 1.00 0.00 H new ATOM 0 HA ARG C 4 19.811 2.492 7.737 1.00 0.00 H new ATOM 0 HB2 ARG C 4 20.837 0.705 5.485 1.00 0.00 H new ATOM 0 HB3 ARG C 4 21.180 2.403 5.751 1.00 0.00 H new ATOM 0 HG2 ARG C 4 23.097 1.730 6.794 1.00 0.00 H new ATOM 0 HG3 ARG C 4 22.080 1.228 8.130 1.00 0.00 H new ATOM 0 HD2 ARG C 4 23.740 -0.543 7.012 1.00 0.00 H new ATOM 0 HD3 ARG C 4 22.139 -1.064 7.498 1.00 0.00 H new ATOM 0 HE ARG C 4 21.606 -1.367 5.187 1.00 0.00 H new ATOM 0 HH11 ARG C 4 24.508 0.494 5.629 1.00 0.00 H new ATOM 0 HH12 ARG C 4 24.633 0.953 3.928 1.00 0.00 H new ATOM 0 HH21 ARG C 4 21.618 -0.576 3.039 1.00 0.00 H new ATOM 0 HH22 ARG C 4 23.011 0.353 2.475 1.00 0.00 H new ATOM 619 N ARG C 5 18.264 0.323 5.809 1.00 0.00 N ATOM 620 CA ARG C 5 17.005 0.153 5.029 1.00 0.00 C ATOM 621 C ARG C 5 15.805 0.091 5.979 1.00 0.00 C ATOM 622 O ARG C 5 14.667 0.205 5.571 1.00 0.00 O ATOM 623 CB ARG C 5 17.174 -1.167 4.257 1.00 0.00 C ATOM 624 CG ARG C 5 16.589 -2.339 5.056 1.00 0.00 C ATOM 625 CD ARG C 5 17.343 -3.624 4.715 1.00 0.00 C ATOM 626 NE ARG C 5 16.832 -4.024 3.376 1.00 0.00 N ATOM 627 CZ ARG C 5 17.330 -3.481 2.300 1.00 0.00 C ATOM 628 NH1 ARG C 5 18.620 -3.485 2.105 1.00 0.00 N ATOM 629 NH2 ARG C 5 16.538 -2.935 1.418 1.00 0.00 N ATOM 0 H ARG C 5 18.871 -0.496 5.843 1.00 0.00 H new ATOM 0 HA ARG C 5 16.824 0.985 4.349 1.00 0.00 H new ATOM 0 HB2 ARG C 5 16.677 -1.095 3.290 1.00 0.00 H new ATOM 0 HB3 ARG C 5 18.231 -1.346 4.059 1.00 0.00 H new ATOM 0 HG2 ARG C 5 16.663 -2.136 6.124 1.00 0.00 H new ATOM 0 HG3 ARG C 5 15.530 -2.456 4.826 1.00 0.00 H new ATOM 0 HD2 ARG C 5 18.420 -3.456 4.693 1.00 0.00 H new ATOM 0 HD3 ARG C 5 17.156 -4.400 5.457 1.00 0.00 H new ATOM 0 HE ARG C 5 16.093 -4.723 3.300 1.00 0.00 H new ATOM 0 HH11 ARG C 5 19.239 -3.913 2.794 1.00 0.00 H new ATOM 0 HH12 ARG C 5 19.010 -3.060 1.264 1.00 0.00 H new ATOM 0 HH21 ARG C 5 15.529 -2.933 1.570 1.00 0.00 H new ATOM 0 HH22 ARG C 5 16.928 -2.510 0.576 1.00 0.00 H new ATOM 643 N PHE C 6 16.055 -0.100 7.244 1.00 0.00 N ATOM 644 CA PHE C 6 14.936 -0.184 8.219 1.00 0.00 C ATOM 645 C PHE C 6 14.635 1.197 8.817 1.00 0.00 C ATOM 646 O PHE C 6 13.556 1.729 8.649 1.00 0.00 O ATOM 647 CB PHE C 6 15.423 -1.177 9.276 1.00 0.00 C ATOM 648 CG PHE C 6 14.941 -0.797 10.639 1.00 0.00 C ATOM 649 CD1 PHE C 6 13.587 -0.564 10.856 1.00 0.00 C ATOM 650 CD2 PHE C 6 15.852 -0.693 11.684 1.00 0.00 C ATOM 651 CE1 PHE C 6 13.137 -0.221 12.129 1.00 0.00 C ATOM 652 CE2 PHE C 6 15.411 -0.354 12.958 1.00 0.00 C ATOM 653 CZ PHE C 6 14.050 -0.115 13.187 1.00 0.00 C ATOM 0 H PHE C 6 16.988 -0.202 7.644 1.00 0.00 H new ATOM 0 HA PHE C 6 14.001 -0.512 7.765 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.069 -2.178 9.029 1.00 0.00 H new ATOM 0 HB3 PHE C 6 16.512 -1.213 9.270 1.00 0.00 H new ATOM 0 HD1 PHE C 6 12.886 -0.649 10.039 1.00 0.00 H new ATOM 0 HD2 PHE C 6 16.902 -0.875 11.506 1.00 0.00 H new ATOM 0 HE1 PHE C 6 12.087 -0.037 12.300 1.00 0.00 H new ATOM 0 HE2 PHE C 6 16.118 -0.275 13.771 1.00 0.00 H new ATOM 0 HZ PHE C 6 13.705 0.150 14.176 1.00 0.00 H new ATOM 663 N PHE C 7 15.568 1.778 9.521 1.00 0.00 N ATOM 664 CA PHE C 7 15.304 3.107 10.127 1.00 0.00 C ATOM 665 C PHE C 7 15.035 4.147 9.039 1.00 0.00 C ATOM 666 O PHE C 7 14.387 5.148 9.278 1.00 0.00 O ATOM 667 CB PHE C 7 16.552 3.437 10.960 1.00 0.00 C ATOM 668 CG PHE C 7 17.568 4.221 10.159 1.00 0.00 C ATOM 669 CD1 PHE C 7 17.316 5.553 9.807 1.00 0.00 C ATOM 670 CD2 PHE C 7 18.777 3.618 9.788 1.00 0.00 C ATOM 671 CE1 PHE C 7 18.269 6.280 9.084 1.00 0.00 C ATOM 672 CE2 PHE C 7 19.727 4.344 9.064 1.00 0.00 C ATOM 673 CZ PHE C 7 19.475 5.675 8.712 1.00 0.00 C ATOM 0 H PHE C 7 16.494 1.391 9.700 1.00 0.00 H new ATOM 0 HA PHE C 7 14.415 3.107 10.758 1.00 0.00 H new ATOM 0 HB2 PHE C 7 16.261 4.011 11.840 1.00 0.00 H new ATOM 0 HB3 PHE C 7 17.006 2.513 11.318 1.00 0.00 H new ATOM 0 HD1 PHE C 7 16.385 6.020 10.094 1.00 0.00 H new ATOM 0 HD2 PHE C 7 18.975 2.592 10.061 1.00 0.00 H new ATOM 0 HE1 PHE C 7 18.074 7.307 8.813 1.00 0.00 H new ATOM 0 HE2 PHE C 7 20.657 3.877 8.776 1.00 0.00 H new ATOM 0 HZ PHE C 7 20.211 6.235 8.154 1.00 0.00 H new ATOM 683 N LYS C 8 15.512 3.924 7.845 1.00 0.00 N ATOM 684 CA LYS C 8 15.253 4.910 6.770 1.00 0.00 C ATOM 685 C LYS C 8 13.745 5.115 6.624 1.00 0.00 C ATOM 686 O LYS C 8 13.247 6.222 6.682 1.00 0.00 O ATOM 687 CB LYS C 8 15.837 4.303 5.506 1.00 0.00 C ATOM 688 CG LYS C 8 17.186 4.957 5.202 1.00 0.00 C ATOM 689 CD LYS C 8 17.517 4.786 3.718 1.00 0.00 C ATOM 690 CE LYS C 8 18.829 4.013 3.573 1.00 0.00 C ATOM 691 NZ LYS C 8 18.873 3.589 2.145 1.00 0.00 N ATOM 0 H LYS C 8 16.063 3.110 7.574 1.00 0.00 H new ATOM 0 HA LYS C 8 15.699 5.882 6.981 1.00 0.00 H new ATOM 0 HB2 LYS C 8 15.962 3.227 5.631 1.00 0.00 H new ATOM 0 HB3 LYS C 8 15.153 4.450 4.670 1.00 0.00 H new ATOM 0 HG2 LYS C 8 17.154 6.016 5.458 1.00 0.00 H new ATOM 0 HG3 LYS C 8 17.967 4.505 5.814 1.00 0.00 H new ATOM 0 HD2 LYS C 8 16.711 4.253 3.214 1.00 0.00 H new ATOM 0 HD3 LYS C 8 17.602 5.761 3.239 1.00 0.00 H new ATOM 0 HE2 LYS C 8 19.685 4.639 3.825 1.00 0.00 H new ATOM 0 HE3 LYS C 8 18.855 3.152 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 19.746 3.052 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 18.050 2.989 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 18.854 4.429 1.533 1.00 0.00 H new ATOM 705 N ALA C 9 13.016 4.047 6.446 1.00 0.00 N ATOM 706 CA ALA C 9 11.542 4.163 6.309 1.00 0.00 C ATOM 707 C ALA C 9 10.959 4.842 7.550 1.00 0.00 C ATOM 708 O ALA C 9 9.961 5.530 7.486 1.00 0.00 O ATOM 709 CB ALA C 9 11.042 2.722 6.203 1.00 0.00 C ATOM 0 H ALA C 9 13.382 3.097 6.390 1.00 0.00 H new ATOM 0 HA ALA C 9 11.247 4.760 5.446 1.00 0.00 H new ATOM 0 HB1 ALA C 9 9.957 2.720 6.099 1.00 0.00 H new ATOM 0 HB2 ALA C 9 11.491 2.244 5.332 1.00 0.00 H new ATOM 0 HB3 ALA C 9 11.321 2.173 7.102 1.00 0.00 H new ATOM 715 N LYS C 10 11.583 4.651 8.680 1.00 0.00 N ATOM 716 CA LYS C 10 11.091 5.273 9.924 1.00 0.00 C ATOM 717 C LYS C 10 11.183 6.794 9.824 1.00 0.00 C ATOM 718 O LYS C 10 10.185 7.486 9.795 1.00 0.00 O ATOM 719 CB LYS C 10 12.030 4.733 10.982 1.00 0.00 C ATOM 720 CG LYS C 10 11.253 4.435 12.258 1.00 0.00 C ATOM 721 CD LYS C 10 11.633 5.466 13.306 1.00 0.00 C ATOM 722 CE LYS C 10 12.937 5.045 13.983 1.00 0.00 C ATOM 723 NZ LYS C 10 13.096 5.982 15.130 1.00 0.00 N ATOM 0 H LYS C 10 12.423 4.082 8.787 1.00 0.00 H new ATOM 0 HA LYS C 10 10.047 5.049 10.140 1.00 0.00 H new ATOM 0 HB2 LYS C 10 12.516 3.827 10.621 1.00 0.00 H new ATOM 0 HB3 LYS C 10 12.818 5.458 11.186 1.00 0.00 H new ATOM 0 HG2 LYS C 10 10.181 4.469 12.065 1.00 0.00 H new ATOM 0 HG3 LYS C 10 11.481 3.431 12.615 1.00 0.00 H new ATOM 0 HD2 LYS C 10 11.751 6.445 12.842 1.00 0.00 H new ATOM 0 HD3 LYS C 10 10.839 5.557 14.047 1.00 0.00 H new ATOM 0 HE2 LYS C 10 12.889 4.010 14.322 1.00 0.00 H new ATOM 0 HE3 LYS C 10 13.780 5.116 13.295 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 13.971 5.756 15.645 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 13.145 6.959 14.776 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 12.283 5.887 15.771 1.00 0.00 H new ATOM 737 N LYS C 11 12.375 7.321 9.764 1.00 0.00 N ATOM 738 CA LYS C 11 12.526 8.797 9.657 1.00 0.00 C ATOM 739 C LYS C 11 11.522 9.351 8.641 1.00 0.00 C ATOM 740 O LYS C 11 11.015 10.445 8.787 1.00 0.00 O ATOM 741 CB LYS C 11 13.957 9.015 9.165 1.00 0.00 C ATOM 742 CG LYS C 11 14.935 8.786 10.319 1.00 0.00 C ATOM 743 CD LYS C 11 14.564 9.695 11.492 1.00 0.00 C ATOM 744 CE LYS C 11 13.953 8.854 12.614 1.00 0.00 C ATOM 745 NZ LYS C 11 13.410 9.844 13.585 1.00 0.00 N ATOM 0 H LYS C 11 13.248 6.794 9.784 1.00 0.00 H new ATOM 0 HA LYS C 11 12.340 9.303 10.604 1.00 0.00 H new ATOM 0 HB2 LYS C 11 14.179 8.332 8.345 1.00 0.00 H new ATOM 0 HB3 LYS C 11 14.069 10.027 8.775 1.00 0.00 H new ATOM 0 HG2 LYS C 11 14.907 7.742 10.631 1.00 0.00 H new ATOM 0 HG3 LYS C 11 15.954 8.994 9.993 1.00 0.00 H new ATOM 0 HD2 LYS C 11 15.449 10.218 11.855 1.00 0.00 H new ATOM 0 HD3 LYS C 11 13.855 10.456 11.166 1.00 0.00 H new ATOM 0 HE2 LYS C 11 13.167 8.201 12.235 1.00 0.00 H new ATOM 0 HE3 LYS C 11 14.702 8.214 13.080 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 12.974 9.342 14.385 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 14.182 10.447 13.934 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 12.695 10.435 13.115 1.00 0.00 H new ATOM 759 N LEU C 12 11.239 8.600 7.611 1.00 0.00 N ATOM 760 CA LEU C 12 10.278 9.071 6.579 1.00 0.00 C ATOM 761 C LEU C 12 8.885 9.261 7.185 1.00 0.00 C ATOM 762 O LEU C 12 8.013 9.852 6.579 1.00 0.00 O ATOM 763 CB LEU C 12 10.256 7.965 5.525 1.00 0.00 C ATOM 764 CG LEU C 12 11.576 7.971 4.751 1.00 0.00 C ATOM 765 CD1 LEU C 12 11.485 6.993 3.579 1.00 0.00 C ATOM 766 CD2 LEU C 12 11.846 9.379 4.217 1.00 0.00 C ATOM 0 H LEU C 12 11.636 7.676 7.441 1.00 0.00 H new ATOM 0 HA LEU C 12 10.570 10.033 6.159 1.00 0.00 H new ATOM 0 HB2 LEU C 12 10.106 6.996 6.002 1.00 0.00 H new ATOM 0 HB3 LEU C 12 9.421 8.116 4.841 1.00 0.00 H new ATOM 0 HG LEU C 12 12.387 7.670 5.414 1.00 0.00 H new ATOM 0 HD11 LEU C 12 12.425 6.997 3.028 1.00 0.00 H new ATOM 0 HD12 LEU C 12 11.291 5.989 3.957 1.00 0.00 H new ATOM 0 HD13 LEU C 12 10.674 7.294 2.916 1.00 0.00 H new ATOM 0 HD21 LEU C 12 12.786 9.385 3.665 1.00 0.00 H new ATOM 0 HD22 LEU C 12 11.034 9.679 3.554 1.00 0.00 H new ATOM 0 HD23 LEU C 12 11.910 10.078 5.051 1.00 0.00 H new ATOM 778 N ILE C 13 8.665 8.773 8.375 1.00 0.00 N ATOM 779 CA ILE C 13 7.322 8.940 9.004 1.00 0.00 C ATOM 780 C ILE C 13 7.449 9.139 10.500 1.00 0.00 C ATOM 781 O ILE C 13 6.742 8.546 11.290 1.00 0.00 O ATOM 782 CB ILE C 13 6.533 7.667 8.693 1.00 0.00 C ATOM 783 CG1 ILE C 13 7.425 6.430 8.826 1.00 0.00 C ATOM 784 CG2 ILE C 13 5.984 7.743 7.268 1.00 0.00 C ATOM 785 CD1 ILE C 13 7.059 5.674 10.105 1.00 0.00 C ATOM 0 H ILE C 13 9.351 8.269 8.937 1.00 0.00 H new ATOM 0 HA ILE C 13 6.815 9.821 8.611 1.00 0.00 H new ATOM 0 HB ILE C 13 5.712 7.585 9.405 1.00 0.00 H new ATOM 0 HG12 ILE C 13 7.298 5.782 7.959 1.00 0.00 H new ATOM 0 HG13 ILE C 13 8.474 6.726 8.853 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.422 6.836 7.046 1.00 0.00 H new ATOM 0 HG22 ILE C 13 5.328 8.608 7.177 1.00 0.00 H new ATOM 0 HG23 ILE C 13 6.811 7.839 6.564 1.00 0.00 H new ATOM 0 HD11 ILE C 13 7.693 4.793 10.201 1.00 0.00 H new ATOM 0 HD12 ILE C 13 7.208 6.324 10.967 1.00 0.00 H new ATOM 0 HD13 ILE C 13 6.014 5.366 10.059 1.00 0.00 H new ATOM 797 N GLU C 14 8.362 9.963 10.888 1.00 0.00 N ATOM 798 CA GLU C 14 8.585 10.219 12.316 1.00 0.00 C ATOM 799 C GLU C 14 8.644 11.726 12.593 1.00 0.00 C ATOM 800 O GLU C 14 9.478 12.129 13.386 1.00 0.00 O ATOM 801 CB GLU C 14 9.926 9.564 12.561 1.00 0.00 C ATOM 802 CG GLU C 14 9.784 8.064 12.323 1.00 0.00 C ATOM 803 CD GLU C 14 9.447 7.365 13.642 1.00 0.00 C ATOM 804 OE1 GLU C 14 10.005 7.753 14.655 1.00 0.00 O ATOM 805 OE2 GLU C 14 8.638 6.453 13.615 1.00 0.00 O ATOM 806 OXT GLU C 14 7.854 12.447 12.007 1.00 0.00 O ATOM 0 H GLU C 14 8.976 10.481 10.259 1.00 0.00 H new ATOM 0 HA GLU C 14 7.794 9.835 12.961 1.00 0.00 H new ATOM 0 HB2 GLU C 14 10.680 9.983 11.894 1.00 0.00 H new ATOM 0 HB3 GLU C 14 10.260 9.756 13.581 1.00 0.00 H new ATOM 0 HG2 GLU C 14 9.001 7.875 11.589 1.00 0.00 H new ATOM 0 HG3 GLU C 14 10.710 7.661 11.913 1.00 0.00 H new TER 813 GLU C 14 ATOM 814 N CYS D 1 28.799 -3.118 2.355 1.00 0.00 N ATOM 815 CA CYS D 1 27.564 -3.684 1.734 1.00 0.00 C ATOM 816 C CYS D 1 26.677 -2.586 1.183 1.00 0.00 C ATOM 817 O CYS D 1 26.709 -1.450 1.608 1.00 0.00 O ATOM 818 CB CYS D 1 26.829 -4.416 2.847 1.00 0.00 C ATOM 819 SG CYS D 1 26.418 -3.250 4.171 1.00 0.00 S ATOM 0 H1 CYS D 1 29.539 -3.848 2.384 1.00 0.00 H new ATOM 0 H2 CYS D 1 29.132 -2.310 1.791 1.00 0.00 H new ATOM 0 H3 CYS D 1 28.587 -2.801 3.323 1.00 0.00 H new ATOM 0 HA CYS D 1 27.820 -4.343 0.904 1.00 0.00 H new ATOM 0 HB2 CYS D 1 25.920 -4.874 2.457 1.00 0.00 H new ATOM 0 HB3 CYS D 1 27.450 -5.222 3.238 1.00 0.00 H new ATOM 826 N TYR D 2 25.883 -2.946 0.231 1.00 0.00 N ATOM 827 CA TYR D 2 24.961 -1.988 -0.401 1.00 0.00 C ATOM 828 C TYR D 2 24.252 -2.757 -1.505 1.00 0.00 C ATOM 829 O TYR D 2 23.072 -2.626 -1.727 1.00 0.00 O ATOM 830 CB TYR D 2 25.861 -0.882 -0.970 1.00 0.00 C ATOM 831 CG TYR D 2 26.067 -1.167 -2.427 1.00 0.00 C ATOM 832 CD1 TYR D 2 25.086 -0.789 -3.340 1.00 0.00 C ATOM 833 CD2 TYR D 2 27.190 -1.874 -2.846 1.00 0.00 C ATOM 834 CE1 TYR D 2 25.225 -1.111 -4.685 1.00 0.00 C ATOM 835 CE2 TYR D 2 27.343 -2.193 -4.195 1.00 0.00 C ATOM 836 CZ TYR D 2 26.360 -1.814 -5.121 1.00 0.00 C ATOM 837 OH TYR D 2 26.504 -2.136 -6.455 1.00 0.00 O ATOM 0 H TYR D 2 25.834 -3.893 -0.146 1.00 0.00 H new ATOM 0 HA TYR D 2 24.216 -1.553 0.265 1.00 0.00 H new ATOM 0 HB2 TYR D 2 25.399 0.096 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR D 2 26.816 -0.859 -0.446 1.00 0.00 H new ATOM 0 HD1 TYR D 2 24.216 -0.245 -3.003 1.00 0.00 H new ATOM 0 HD2 TYR D 2 27.940 -2.174 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR D 2 24.462 -0.821 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR D 2 28.218 -2.732 -4.527 1.00 0.00 H new ATOM 0 HH TYR D 2 27.346 -2.621 -6.585 1.00 0.00 H new ATOM 847 N LEU D 3 24.998 -3.584 -2.180 1.00 0.00 N ATOM 848 CA LEU D 3 24.418 -4.404 -3.251 1.00 0.00 C ATOM 849 C LEU D 3 23.170 -5.071 -2.710 1.00 0.00 C ATOM 850 O LEU D 3 22.096 -4.965 -3.267 1.00 0.00 O ATOM 851 CB LEU D 3 25.489 -5.424 -3.557 1.00 0.00 C ATOM 852 CG LEU D 3 25.275 -5.926 -4.956 1.00 0.00 C ATOM 853 CD1 LEU D 3 26.540 -5.717 -5.788 1.00 0.00 C ATOM 854 CD2 LEU D 3 24.914 -7.407 -4.903 1.00 0.00 C ATOM 0 H LEU D 3 25.997 -3.721 -2.025 1.00 0.00 H new ATOM 0 HA LEU D 3 24.136 -3.843 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU D 3 26.478 -4.976 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU D 3 25.442 -6.249 -2.846 1.00 0.00 H new ATOM 0 HG LEU D 3 24.462 -5.372 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU D 3 26.374 -6.084 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU D 3 26.782 -4.655 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU D 3 27.368 -6.263 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU D 3 24.757 -7.780 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU D 3 25.726 -7.963 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU D 3 24.001 -7.538 -4.322 1.00 0.00 H new ATOM 866 N ARG D 4 23.304 -5.724 -1.590 1.00 0.00 N ATOM 867 CA ARG D 4 22.122 -6.362 -0.963 1.00 0.00 C ATOM 868 C ARG D 4 20.999 -5.334 -0.980 1.00 0.00 C ATOM 869 O ARG D 4 19.831 -5.656 -1.057 1.00 0.00 O ATOM 870 CB ARG D 4 22.546 -6.682 0.474 1.00 0.00 C ATOM 871 CG ARG D 4 23.910 -7.379 0.468 1.00 0.00 C ATOM 872 CD ARG D 4 24.998 -6.387 0.898 1.00 0.00 C ATOM 873 NE ARG D 4 26.232 -6.845 0.203 1.00 0.00 N ATOM 874 CZ ARG D 4 26.711 -8.034 0.442 1.00 0.00 C ATOM 875 NH1 ARG D 4 26.847 -8.446 1.672 1.00 0.00 N ATOM 876 NH2 ARG D 4 27.052 -8.811 -0.549 1.00 0.00 N ATOM 0 H ARG D 4 24.182 -5.842 -1.084 1.00 0.00 H new ATOM 0 HA ARG D 4 21.783 -7.265 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG D 4 22.598 -5.765 1.061 1.00 0.00 H new ATOM 0 HB3 ARG D 4 21.802 -7.322 0.949 1.00 0.00 H new ATOM 0 HG2 ARG D 4 23.896 -8.234 1.144 1.00 0.00 H new ATOM 0 HG3 ARG D 4 24.128 -7.764 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG D 4 24.739 -5.368 0.611 1.00 0.00 H new ATOM 0 HD3 ARG D 4 25.130 -6.390 1.980 1.00 0.00 H new ATOM 0 HE ARG D 4 26.703 -6.229 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG D 4 26.579 -7.838 2.446 1.00 0.00 H new ATOM 0 HH12 ARG D 4 27.222 -9.376 1.860 1.00 0.00 H new ATOM 0 HH21 ARG D 4 26.944 -8.488 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG D 4 27.427 -9.741 -0.362 1.00 0.00 H new ATOM 890 N ARG D 5 21.376 -4.087 -0.931 1.00 0.00 N ATOM 891 CA ARG D 5 20.368 -2.991 -0.969 1.00 0.00 C ATOM 892 C ARG D 5 20.105 -2.563 -2.418 1.00 0.00 C ATOM 893 O ARG D 5 19.030 -2.107 -2.755 1.00 0.00 O ATOM 894 CB ARG D 5 20.984 -1.855 -0.130 1.00 0.00 C ATOM 895 CG ARG D 5 21.473 -0.690 -1.008 1.00 0.00 C ATOM 896 CD ARG D 5 22.661 -0.006 -0.330 1.00 0.00 C ATOM 897 NE ARG D 5 22.264 1.424 -0.210 1.00 0.00 N ATOM 898 CZ ARG D 5 23.181 2.351 -0.145 1.00 0.00 C ATOM 899 NH1 ARG D 5 24.308 2.112 0.469 1.00 0.00 N ATOM 900 NH2 ARG D 5 22.971 3.516 -0.695 1.00 0.00 N ATOM 0 H ARG D 5 22.346 -3.778 -0.866 1.00 0.00 H new ATOM 0 HA ARG D 5 19.400 -3.291 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG D 5 20.244 -1.487 0.581 1.00 0.00 H new ATOM 0 HB3 ARG D 5 21.819 -2.246 0.452 1.00 0.00 H new ATOM 0 HG2 ARG D 5 21.764 -1.059 -1.991 1.00 0.00 H new ATOM 0 HG3 ARG D 5 20.666 0.027 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG D 5 22.863 -0.443 0.648 1.00 0.00 H new ATOM 0 HD3 ARG D 5 23.570 -0.115 -0.922 1.00 0.00 H new ATOM 0 HE ARG D 5 21.277 1.679 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG D 5 24.472 1.201 0.898 1.00 0.00 H new ATOM 0 HH12 ARG D 5 25.025 2.836 0.520 1.00 0.00 H new ATOM 0 HH21 ARG D 5 22.091 3.702 -1.175 1.00 0.00 H new ATOM 0 HH22 ARG D 5 23.687 4.240 -0.644 1.00 0.00 H new ATOM 914 N PHE D 6 21.085 -2.692 -3.268 1.00 0.00 N ATOM 915 CA PHE D 6 20.899 -2.280 -4.687 1.00 0.00 C ATOM 916 C PHE D 6 20.239 -3.406 -5.496 1.00 0.00 C ATOM 917 O PHE D 6 19.345 -3.168 -6.284 1.00 0.00 O ATOM 918 CB PHE D 6 22.316 -1.970 -5.183 1.00 0.00 C ATOM 919 CG PHE D 6 22.538 -2.507 -6.563 1.00 0.00 C ATOM 920 CD1 PHE D 6 22.842 -3.854 -6.738 1.00 0.00 C ATOM 921 CD2 PHE D 6 22.447 -1.656 -7.661 1.00 0.00 C ATOM 922 CE1 PHE D 6 23.058 -4.357 -8.017 1.00 0.00 C ATOM 923 CE2 PHE D 6 22.661 -2.153 -8.943 1.00 0.00 C ATOM 924 CZ PHE D 6 22.968 -3.506 -9.128 1.00 0.00 C ATOM 0 H PHE D 6 22.007 -3.065 -3.041 1.00 0.00 H new ATOM 0 HA PHE D 6 20.239 -1.419 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE D 6 22.477 -0.892 -5.179 1.00 0.00 H new ATOM 0 HB3 PHE D 6 23.046 -2.404 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE D 6 22.910 -4.508 -5.881 1.00 0.00 H new ATOM 0 HD2 PHE D 6 22.211 -0.612 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE D 6 23.295 -5.402 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE D 6 22.590 -1.494 -9.796 1.00 0.00 H new ATOM 0 HZ PHE D 6 23.135 -3.893 -10.122 1.00 0.00 H new ATOM 934 N PHE D 7 20.678 -4.624 -5.325 1.00 0.00 N ATOM 935 CA PHE D 7 20.076 -5.734 -6.103 1.00 0.00 C ATOM 936 C PHE D 7 18.641 -6.001 -5.628 1.00 0.00 C ATOM 937 O PHE D 7 17.759 -6.274 -6.417 1.00 0.00 O ATOM 938 CB PHE D 7 21.009 -6.938 -5.875 1.00 0.00 C ATOM 939 CG PHE D 7 20.452 -7.878 -4.829 1.00 0.00 C ATOM 940 CD1 PHE D 7 19.332 -8.663 -5.122 1.00 0.00 C ATOM 941 CD2 PHE D 7 21.063 -7.969 -3.573 1.00 0.00 C ATOM 942 CE1 PHE D 7 18.819 -9.539 -4.159 1.00 0.00 C ATOM 943 CE2 PHE D 7 20.551 -8.849 -2.609 1.00 0.00 C ATOM 944 CZ PHE D 7 19.429 -9.632 -2.903 1.00 0.00 C ATOM 0 H PHE D 7 21.423 -4.893 -4.683 1.00 0.00 H new ATOM 0 HA PHE D 7 19.993 -5.510 -7.166 1.00 0.00 H new ATOM 0 HB2 PHE D 7 21.147 -7.476 -6.813 1.00 0.00 H new ATOM 0 HB3 PHE D 7 21.992 -6.585 -5.562 1.00 0.00 H new ATOM 0 HD1 PHE D 7 18.863 -8.593 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE D 7 21.927 -7.362 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE D 7 17.953 -10.143 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE D 7 21.022 -8.923 -1.640 1.00 0.00 H new ATOM 0 HZ PHE D 7 19.034 -10.309 -2.160 1.00 0.00 H new ATOM 954 N LYS D 8 18.400 -5.921 -4.348 1.00 0.00 N ATOM 955 CA LYS D 8 17.026 -6.167 -3.836 1.00 0.00 C ATOM 956 C LYS D 8 16.020 -5.262 -4.549 1.00 0.00 C ATOM 957 O LYS D 8 15.050 -5.724 -5.118 1.00 0.00 O ATOM 958 CB LYS D 8 17.087 -5.830 -2.356 1.00 0.00 C ATOM 959 CG LYS D 8 16.874 -7.099 -1.529 1.00 0.00 C ATOM 960 CD LYS D 8 16.596 -6.717 -0.074 1.00 0.00 C ATOM 961 CE LYS D 8 17.770 -7.155 0.804 1.00 0.00 C ATOM 962 NZ LYS D 8 17.148 -7.631 2.069 1.00 0.00 N ATOM 0 H LYS D 8 19.096 -5.696 -3.637 1.00 0.00 H new ATOM 0 HA LYS D 8 16.704 -7.194 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS D 8 18.052 -5.384 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS D 8 16.324 -5.091 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS D 8 16.039 -7.673 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS D 8 17.756 -7.736 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS D 8 16.449 -5.640 0.008 1.00 0.00 H new ATOM 0 HD3 LYS D 8 15.676 -7.191 0.268 1.00 0.00 H new ATOM 0 HE2 LYS D 8 18.347 -7.946 0.326 1.00 0.00 H new ATOM 0 HE3 LYS D 8 18.455 -6.328 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 17.891 -7.949 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 16.611 -6.855 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 16.506 -8.423 1.864 1.00 0.00 H new ATOM 976 N ALA D 9 16.245 -3.977 -4.528 1.00 0.00 N ATOM 977 CA ALA D 9 15.307 -3.049 -5.206 1.00 0.00 C ATOM 978 C ALA D 9 15.342 -3.300 -6.709 1.00 0.00 C ATOM 979 O ALA D 9 14.444 -2.927 -7.438 1.00 0.00 O ATOM 980 CB ALA D 9 15.824 -1.647 -4.881 1.00 0.00 C ATOM 0 H ALA D 9 17.040 -3.532 -4.069 1.00 0.00 H new ATOM 0 HA ALA D 9 14.276 -3.180 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA D 9 15.179 -0.904 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA D 9 15.822 -1.500 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA D 9 16.840 -1.537 -5.260 1.00 0.00 H new ATOM 986 N LYS D 10 16.381 -3.933 -7.177 1.00 0.00 N ATOM 987 CA LYS D 10 16.498 -4.217 -8.618 1.00 0.00 C ATOM 988 C LYS D 10 15.498 -5.299 -9.029 1.00 0.00 C ATOM 989 O LYS D 10 14.576 -5.051 -9.780 1.00 0.00 O ATOM 990 CB LYS D 10 17.923 -4.703 -8.783 1.00 0.00 C ATOM 991 CG LYS D 10 18.499 -4.167 -10.092 1.00 0.00 C ATOM 992 CD LYS D 10 19.452 -3.007 -9.792 1.00 0.00 C ATOM 993 CE LYS D 10 19.097 -1.810 -10.677 1.00 0.00 C ATOM 994 NZ LYS D 10 19.529 -0.616 -9.897 1.00 0.00 N ATOM 0 H LYS D 10 17.159 -4.266 -6.608 1.00 0.00 H new ATOM 0 HA LYS D 10 16.282 -3.349 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS D 10 18.531 -4.369 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS D 10 17.949 -5.793 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS D 10 19.029 -4.960 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS D 10 17.694 -3.831 -10.746 1.00 0.00 H new ATOM 0 HD2 LYS D 10 19.382 -2.728 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS D 10 20.482 -3.313 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS D 10 19.611 -1.862 -11.637 1.00 0.00 H new ATOM 0 HE3 LYS D 10 18.028 -1.778 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 19.591 0.208 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 18.837 -0.424 -9.145 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 20.461 -0.797 -9.472 1.00 0.00 H new ATOM 1008 N LYS D 11 15.671 -6.500 -8.545 1.00 0.00 N ATOM 1009 CA LYS D 11 14.726 -7.589 -8.914 1.00 0.00 C ATOM 1010 C LYS D 11 13.289 -7.074 -8.839 1.00 0.00 C ATOM 1011 O LYS D 11 12.412 -7.533 -9.546 1.00 0.00 O ATOM 1012 CB LYS D 11 14.960 -8.687 -7.875 1.00 0.00 C ATOM 1013 CG LYS D 11 16.072 -9.620 -8.358 1.00 0.00 C ATOM 1014 CD LYS D 11 15.692 -10.202 -9.721 1.00 0.00 C ATOM 1015 CE LYS D 11 15.897 -11.719 -9.707 1.00 0.00 C ATOM 1016 NZ LYS D 11 16.709 -12.006 -10.921 1.00 0.00 N ATOM 0 H LYS D 11 16.424 -6.772 -7.912 1.00 0.00 H new ATOM 0 HA LYS D 11 14.884 -7.954 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS D 11 15.233 -8.244 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS D 11 14.042 -9.252 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS D 11 17.013 -9.074 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS D 11 16.226 -10.423 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS D 11 14.653 -9.967 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS D 11 16.301 -9.750 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS D 11 16.412 -12.040 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS D 11 14.944 -12.247 -9.735 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 16.892 -13.028 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 16.190 -11.696 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 17.613 -11.495 -10.863 1.00 0.00 H new ATOM 1030 N LEU D 12 13.040 -6.127 -7.977 1.00 0.00 N ATOM 1031 CA LEU D 12 11.670 -5.579 -7.835 1.00 0.00 C ATOM 1032 C LEU D 12 11.255 -4.807 -9.091 1.00 0.00 C ATOM 1033 O LEU D 12 10.092 -4.516 -9.292 1.00 0.00 O ATOM 1034 CB LEU D 12 11.746 -4.646 -6.630 1.00 0.00 C ATOM 1035 CG LEU D 12 11.863 -5.481 -5.354 1.00 0.00 C ATOM 1036 CD1 LEU D 12 11.912 -4.554 -4.139 1.00 0.00 C ATOM 1037 CD2 LEU D 12 10.648 -6.404 -5.243 1.00 0.00 C ATOM 0 H LEU D 12 13.737 -5.708 -7.361 1.00 0.00 H new ATOM 0 HA LEU D 12 10.928 -6.366 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU D 12 12.604 -3.981 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU D 12 10.858 -4.016 -6.586 1.00 0.00 H new ATOM 0 HG LEU D 12 12.775 -6.078 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU D 12 11.995 -5.150 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU D 12 12.775 -3.893 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU D 12 11.001 -3.957 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU D 12 10.727 -7.002 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU D 12 9.738 -5.805 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU D 12 10.612 -7.064 -6.110 1.00 0.00 H new ATOM 1049 N ILE D 13 12.189 -4.467 -9.939 1.00 0.00 N ATOM 1050 CA ILE D 13 11.824 -3.709 -11.174 1.00 0.00 C ATOM 1051 C ILE D 13 12.777 -4.021 -12.314 1.00 0.00 C ATOM 1052 O ILE D 13 13.319 -3.139 -12.950 1.00 0.00 O ATOM 1053 CB ILE D 13 11.916 -2.233 -10.792 1.00 0.00 C ATOM 1054 CG1 ILE D 13 13.165 -1.985 -9.948 1.00 0.00 C ATOM 1055 CG2 ILE D 13 10.675 -1.826 -9.997 1.00 0.00 C ATOM 1056 CD1 ILE D 13 14.110 -1.045 -10.699 1.00 0.00 C ATOM 0 H ILE D 13 13.181 -4.679 -9.833 1.00 0.00 H new ATOM 0 HA ILE D 13 10.827 -3.980 -11.522 1.00 0.00 H new ATOM 0 HB ILE D 13 11.976 -1.637 -11.703 1.00 0.00 H new ATOM 0 HG12 ILE D 13 12.888 -1.549 -8.988 1.00 0.00 H new ATOM 0 HG13 ILE D 13 13.667 -2.929 -9.736 1.00 0.00 H new ATOM 0 HG21 ILE D 13 10.745 -0.772 -9.727 1.00 0.00 H new ATOM 0 HG22 ILE D 13 9.785 -1.986 -10.605 1.00 0.00 H new ATOM 0 HG23 ILE D 13 10.609 -2.429 -9.091 1.00 0.00 H new ATOM 0 HD11 ILE D 13 15.001 -0.868 -10.097 1.00 0.00 H new ATOM 0 HD12 ILE D 13 14.397 -1.499 -11.647 1.00 0.00 H new ATOM 0 HD13 ILE D 13 13.606 -0.097 -10.888 1.00 0.00 H new ATOM 1068 N GLU D 14 12.998 -5.270 -12.564 1.00 0.00 N ATOM 1069 CA GLU D 14 13.922 -5.666 -13.638 1.00 0.00 C ATOM 1070 C GLU D 14 13.320 -6.796 -14.480 1.00 0.00 C ATOM 1071 O GLU D 14 12.110 -6.945 -14.457 1.00 0.00 O ATOM 1072 CB GLU D 14 15.142 -6.138 -12.875 1.00 0.00 C ATOM 1073 CG GLU D 14 15.728 -4.958 -12.107 1.00 0.00 C ATOM 1074 CD GLU D 14 16.741 -4.221 -12.985 1.00 0.00 C ATOM 1075 OE1 GLU D 14 17.411 -4.880 -13.762 1.00 0.00 O ATOM 1076 OE2 GLU D 14 16.830 -3.009 -12.864 1.00 0.00 O ATOM 1077 OXT GLU D 14 14.081 -7.490 -15.134 1.00 0.00 O ATOM 0 H GLU D 14 12.568 -6.045 -12.059 1.00 0.00 H new ATOM 0 HA GLU D 14 14.143 -4.864 -14.342 1.00 0.00 H new ATOM 0 HB2 GLU D 14 14.870 -6.939 -12.187 1.00 0.00 H new ATOM 0 HB3 GLU D 14 15.883 -6.546 -13.563 1.00 0.00 H new ATOM 0 HG2 GLU D 14 14.932 -4.278 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU D 14 16.211 -5.309 -11.195 1.00 0.00 H new TER 1084 GLU D 14