USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot -93:sc= 0.0104 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0.00111 USER MOD Single : B 172 THR OG1 : rot 180:sc= 0 USER MOD Single : B 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 182 THR OG1 : rot 81:sc= 1.28 USER MOD Single : B 184 SER OG : rot 180:sc= 0 USER MOD Single : B 186 THR OG1 : rot 3:sc= -0.502 USER MOD Single : B 189 LYS NZ :NH3+ 167:sc= -0.0214 (180deg=-0.267) USER MOD Single : B 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLN A 171 6.556 -13.336 16.661 1.00 0.00 N ATOM 77 CA GLN A 171 7.759 -13.264 15.770 1.00 0.00 C ATOM 78 C GLN A 171 9.023 -13.090 16.611 1.00 0.00 C ATOM 79 O GLN A 171 10.079 -13.633 16.271 1.00 0.00 O ATOM 80 CB GLN A 171 7.620 -12.085 14.796 1.00 0.00 C ATOM 81 CG GLN A 171 8.668 -12.182 13.662 1.00 0.00 C ATOM 82 CD GLN A 171 7.993 -12.022 12.301 1.00 0.00 C ATOM 83 OE1 GLN A 171 7.872 -10.907 11.793 1.00 0.00 O ATOM 84 NE2 GLN A 171 7.544 -13.078 11.679 1.00 0.00 N ATOM 0 HA GLN A 171 7.832 -14.191 15.202 1.00 0.00 H new ATOM 0 HB2 GLN A 171 6.617 -12.076 14.370 1.00 0.00 H new ATOM 0 HB3 GLN A 171 7.746 -11.146 15.335 1.00 0.00 H new ATOM 0 HG2 GLN A 171 9.427 -11.410 13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 171 9.179 -13.143 13.711 1.00 0.00 H new ATOM 0 HE21 GLN A 171 7.645 -14.001 12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 171 7.092 -12.981 10.770 1.00 0.00 H new ATOM 93 N THR A 172 8.940 -12.335 17.684 1.00 0.00 N ATOM 94 CA THR A 172 10.138 -12.099 18.556 1.00 0.00 C ATOM 95 C THR A 172 10.545 -13.393 19.267 1.00 0.00 C ATOM 96 O THR A 172 11.731 -13.729 19.326 1.00 0.00 O ATOM 97 CB THR A 172 9.845 -10.998 19.592 1.00 0.00 C ATOM 98 OG1 THR A 172 10.979 -10.836 20.432 1.00 0.00 O ATOM 99 CG2 THR A 172 8.629 -11.372 20.451 1.00 0.00 C ATOM 0 H THR A 172 8.087 -11.869 17.995 1.00 0.00 H new ATOM 0 HA THR A 172 10.962 -11.772 17.922 1.00 0.00 H new ATOM 0 HB THR A 172 9.629 -10.068 19.066 1.00 0.00 H new ATOM 0 HG1 THR A 172 10.799 -10.135 21.093 1.00 0.00 H new ATOM 0 HG21 THR A 172 8.439 -10.581 21.177 1.00 0.00 H new ATOM 0 HG22 THR A 172 7.755 -11.495 19.811 1.00 0.00 H new ATOM 0 HG23 THR A 172 8.828 -12.306 20.976 1.00 0.00 H new ATOM 107 N VAL A 173 9.593 -14.104 19.829 1.00 0.00 N ATOM 108 CA VAL A 173 9.915 -15.369 20.567 1.00 0.00 C ATOM 109 C VAL A 173 10.400 -16.456 19.603 1.00 0.00 C ATOM 110 O VAL A 173 11.385 -17.142 19.892 1.00 0.00 O ATOM 111 CB VAL A 173 8.693 -15.868 21.357 1.00 0.00 C ATOM 112 CG1 VAL A 173 8.322 -14.836 22.424 1.00 0.00 C ATOM 113 CG2 VAL A 173 7.495 -16.081 20.422 1.00 0.00 C ATOM 0 H VAL A 173 8.603 -13.861 19.808 1.00 0.00 H new ATOM 0 HA VAL A 173 10.717 -15.148 21.271 1.00 0.00 H new ATOM 0 HB VAL A 173 8.946 -16.818 21.827 1.00 0.00 H new ATOM 0 HG11 VAL A 173 7.456 -15.188 22.985 1.00 0.00 H new ATOM 0 HG12 VAL A 173 9.163 -14.697 23.104 1.00 0.00 H new ATOM 0 HG13 VAL A 173 8.082 -13.887 21.944 1.00 0.00 H new ATOM 0 HG21 VAL A 173 6.641 -16.434 21.000 1.00 0.00 H new ATOM 0 HG22 VAL A 173 7.240 -15.139 19.936 1.00 0.00 H new ATOM 0 HG23 VAL A 173 7.752 -16.822 19.665 1.00 0.00 H new ATOM 123 N THR A 174 9.725 -16.646 18.487 1.00 0.00 N ATOM 124 CA THR A 174 10.132 -17.719 17.519 1.00 0.00 C ATOM 125 C THR A 174 11.507 -17.420 16.916 1.00 0.00 C ATOM 126 O THR A 174 12.335 -18.329 16.788 1.00 0.00 O ATOM 127 CB THR A 174 9.085 -17.857 16.398 1.00 0.00 C ATOM 128 OG1 THR A 174 9.512 -18.858 15.486 1.00 0.00 O ATOM 129 CG2 THR A 174 8.907 -16.529 15.644 1.00 0.00 C ATOM 0 H THR A 174 8.909 -16.102 18.207 1.00 0.00 H new ATOM 0 HA THR A 174 10.192 -18.660 18.066 1.00 0.00 H new ATOM 0 HB THR A 174 8.130 -18.131 16.845 1.00 0.00 H new ATOM 0 HG1 THR A 174 8.849 -18.952 14.770 1.00 0.00 H new ATOM 0 HG21 THR A 174 8.162 -16.654 14.858 1.00 0.00 H new ATOM 0 HG22 THR A 174 8.575 -15.758 16.339 1.00 0.00 H new ATOM 0 HG23 THR A 174 9.857 -16.233 15.200 1.00 0.00 H new ATOM 137 N ILE A 175 11.761 -16.186 16.535 1.00 0.00 N ATOM 138 CA ILE A 175 13.085 -15.840 15.924 1.00 0.00 C ATOM 139 C ILE A 175 14.195 -16.008 16.974 1.00 0.00 C ATOM 140 O ILE A 175 15.294 -16.473 16.656 1.00 0.00 O ATOM 141 CB ILE A 175 13.046 -14.402 15.322 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.122 -14.270 14.227 1.00 0.00 C ATOM 143 CG2 ILE A 175 13.274 -13.322 16.397 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.641 -14.941 12.931 1.00 0.00 C ATOM 0 H ILE A 175 11.109 -15.407 16.622 1.00 0.00 H new ATOM 0 HA ILE A 175 13.303 -16.520 15.100 1.00 0.00 H new ATOM 0 HB ILE A 175 12.054 -14.248 14.897 1.00 0.00 H new ATOM 0 HG12 ILE A 175 14.337 -13.217 14.043 1.00 0.00 H new ATOM 0 HG13 ILE A 175 15.051 -14.731 14.562 1.00 0.00 H new ATOM 0 HG21 ILE A 175 13.239 -12.335 15.935 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.496 -13.395 17.157 1.00 0.00 H new ATOM 0 HG23 ILE A 175 14.249 -13.471 16.861 1.00 0.00 H new ATOM 0 HD11 ILE A 175 14.409 -14.842 12.163 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.449 -15.997 13.118 1.00 0.00 H new ATOM 0 HD13 ILE A 175 12.724 -14.460 12.591 1.00 0.00 H new ATOM 156 N PHE A 176 13.921 -15.636 18.207 1.00 0.00 N ATOM 157 CA PHE A 176 14.942 -15.762 19.294 1.00 0.00 C ATOM 158 C PHE A 176 15.341 -17.229 19.442 1.00 0.00 C ATOM 159 O PHE A 176 16.532 -17.549 19.521 1.00 0.00 O ATOM 160 CB PHE A 176 14.367 -15.248 20.626 1.00 0.00 C ATOM 161 CG PHE A 176 15.485 -14.846 21.580 1.00 0.00 C ATOM 162 CD1 PHE A 176 16.391 -15.807 22.060 1.00 0.00 C ATOM 163 CD2 PHE A 176 15.604 -13.512 21.993 1.00 0.00 C ATOM 164 CE1 PHE A 176 17.410 -15.430 22.943 1.00 0.00 C ATOM 165 CE2 PHE A 176 16.625 -13.138 22.875 1.00 0.00 C ATOM 166 CZ PHE A 176 17.527 -14.097 23.350 1.00 0.00 C ATOM 0 H PHE A 176 13.026 -15.248 18.505 1.00 0.00 H new ATOM 0 HA PHE A 176 15.816 -15.165 19.034 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.717 -14.393 20.441 1.00 0.00 H new ATOM 0 HB3 PHE A 176 13.753 -16.023 21.085 1.00 0.00 H new ATOM 0 HD1 PHE A 176 16.301 -16.837 21.748 1.00 0.00 H new ATOM 0 HD2 PHE A 176 14.907 -12.771 21.630 1.00 0.00 H new ATOM 0 HE1 PHE A 176 18.106 -16.169 23.310 1.00 0.00 H new ATOM 0 HE2 PHE A 176 16.717 -12.109 23.189 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.314 -13.808 24.031 1.00 0.00 H new ATOM 176 N VAL A 177 14.371 -18.122 19.488 1.00 0.00 N ATOM 177 CA VAL A 177 14.677 -19.582 19.642 1.00 0.00 C ATOM 178 C VAL A 177 15.388 -20.076 18.379 1.00 0.00 C ATOM 179 O VAL A 177 16.336 -20.864 18.466 1.00 0.00 O ATOM 180 CB VAL A 177 13.385 -20.389 19.898 1.00 0.00 C ATOM 181 CG1 VAL A 177 13.719 -21.872 20.100 1.00 0.00 C ATOM 182 CG2 VAL A 177 12.697 -19.862 21.163 1.00 0.00 C ATOM 0 H VAL A 177 13.378 -17.897 19.425 1.00 0.00 H new ATOM 0 HA VAL A 177 15.329 -19.727 20.504 1.00 0.00 H new ATOM 0 HB VAL A 177 12.726 -20.279 19.037 1.00 0.00 H new ATOM 0 HG11 VAL A 177 12.800 -22.431 20.280 1.00 0.00 H new ATOM 0 HG12 VAL A 177 14.210 -22.259 19.207 1.00 0.00 H new ATOM 0 HG13 VAL A 177 14.384 -21.982 20.957 1.00 0.00 H new ATOM 0 HG21 VAL A 177 11.785 -20.431 21.345 1.00 0.00 H new ATOM 0 HG22 VAL A 177 13.369 -19.971 22.015 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.448 -18.809 21.030 1.00 0.00 H new ATOM 192 N ALA A 178 14.958 -19.627 17.218 1.00 0.00 N ATOM 193 CA ALA A 178 15.606 -20.059 15.941 1.00 0.00 C ATOM 194 C ALA A 178 17.070 -19.626 15.947 1.00 0.00 C ATOM 195 O ALA A 178 17.933 -20.347 15.445 1.00 0.00 O ATOM 196 CB ALA A 178 14.886 -19.431 14.747 1.00 0.00 C ATOM 0 H ALA A 178 14.181 -18.976 17.104 1.00 0.00 H new ATOM 0 HA ALA A 178 15.545 -21.144 15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.366 -19.752 13.823 1.00 0.00 H new ATOM 0 HB2 ALA A 178 13.843 -19.748 14.743 1.00 0.00 H new ATOM 0 HB3 ALA A 178 14.935 -18.345 14.823 1.00 0.00 H new ATOM 202 N GLY A 179 17.360 -18.467 16.502 1.00 0.00 N ATOM 203 CA GLY A 179 18.771 -17.970 16.551 1.00 0.00 C ATOM 204 C GLY A 179 19.604 -18.886 17.446 1.00 0.00 C ATOM 205 O GLY A 179 20.759 -19.188 17.126 1.00 0.00 O ATOM 0 H GLY A 179 16.672 -17.843 16.925 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.193 -17.943 15.547 1.00 0.00 H new ATOM 0 HA3 GLY A 179 18.795 -16.950 16.934 1.00 0.00 H new ATOM 209 N VAL A 180 19.045 -19.331 18.554 1.00 0.00 N ATOM 210 CA VAL A 180 19.794 -20.236 19.486 1.00 0.00 C ATOM 211 C VAL A 180 19.977 -21.594 18.805 1.00 0.00 C ATOM 212 O VAL A 180 21.066 -22.176 18.838 1.00 0.00 O ATOM 213 CB VAL A 180 19.014 -20.396 20.809 1.00 0.00 C ATOM 214 CG1 VAL A 180 19.778 -21.308 21.778 1.00 0.00 C ATOM 215 CG2 VAL A 180 18.828 -19.024 21.464 1.00 0.00 C ATOM 0 H VAL A 180 18.096 -19.103 18.851 1.00 0.00 H new ATOM 0 HA VAL A 180 20.770 -19.809 19.717 1.00 0.00 H new ATOM 0 HB VAL A 180 18.044 -20.841 20.586 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.213 -21.409 22.705 1.00 0.00 H new ATOM 0 HG12 VAL A 180 19.911 -22.290 21.325 1.00 0.00 H new ATOM 0 HG13 VAL A 180 20.754 -20.873 21.994 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.277 -19.138 22.398 1.00 0.00 H new ATOM 0 HG22 VAL A 180 19.804 -18.584 21.670 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.270 -18.372 20.791 1.00 0.00 H new ATOM 225 N LEU A 181 18.929 -22.102 18.198 1.00 0.00 N ATOM 226 CA LEU A 181 19.000 -23.427 17.506 1.00 0.00 C ATOM 227 C LEU A 181 19.989 -23.345 16.345 1.00 0.00 C ATOM 228 O LEU A 181 20.806 -24.252 16.151 1.00 0.00 O ATOM 229 CB LEU A 181 17.603 -23.796 16.990 1.00 0.00 C ATOM 230 CG LEU A 181 17.530 -25.299 16.639 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.074 -25.777 16.723 1.00 0.00 C ATOM 232 CD2 LEU A 181 18.056 -25.531 15.212 1.00 0.00 C ATOM 0 H LEU A 181 18.017 -21.648 18.153 1.00 0.00 H new ATOM 0 HA LEU A 181 19.341 -24.194 18.202 1.00 0.00 H new ATOM 0 HB2 LEU A 181 16.856 -23.557 17.747 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.366 -23.200 16.109 1.00 0.00 H new ATOM 0 HG LEU A 181 18.143 -25.858 17.346 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.024 -26.837 16.475 1.00 0.00 H new ATOM 0 HD12 LEU A 181 15.698 -25.623 17.734 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.464 -25.211 16.019 1.00 0.00 H new ATOM 0 HD21 LEU A 181 18.001 -26.593 14.972 1.00 0.00 H new ATOM 0 HD22 LEU A 181 17.448 -24.967 14.504 1.00 0.00 H new ATOM 0 HD23 LEU A 181 19.092 -25.197 15.147 1.00 0.00 H new ATOM 244 N THR A 182 19.940 -22.274 15.586 1.00 0.00 N ATOM 245 CA THR A 182 20.873 -22.104 14.428 1.00 0.00 C ATOM 246 C THR A 182 22.302 -22.031 14.937 1.00 0.00 C ATOM 247 O THR A 182 23.204 -22.672 14.387 1.00 0.00 O ATOM 248 CB THR A 182 20.543 -20.812 13.675 1.00 0.00 C ATOM 249 OG1 THR A 182 20.238 -19.790 14.613 1.00 0.00 O ATOM 250 CG2 THR A 182 19.345 -21.032 12.747 1.00 0.00 C ATOM 0 H THR A 182 19.286 -21.503 15.722 1.00 0.00 H new ATOM 0 HA THR A 182 20.762 -22.954 13.754 1.00 0.00 H new ATOM 0 HB THR A 182 21.403 -20.517 13.074 1.00 0.00 H new ATOM 0 HG1 THR A 182 19.270 -19.765 14.766 1.00 0.00 H new ATOM 0 HG21 THR A 182 19.120 -20.106 12.217 1.00 0.00 H new ATOM 0 HG22 THR A 182 19.582 -21.814 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 182 18.479 -21.332 13.336 1.00 0.00 H new ATOM 258 N ALA A 183 22.521 -21.251 15.966 1.00 0.00 N ATOM 259 CA ALA A 183 23.892 -21.096 16.539 1.00 0.00 C ATOM 260 C ALA A 183 24.440 -22.455 16.967 1.00 0.00 C ATOM 261 O ALA A 183 25.649 -22.692 16.882 1.00 0.00 O ATOM 262 CB ALA A 183 23.855 -20.142 17.739 1.00 0.00 C ATOM 0 H ALA A 183 21.798 -20.708 16.439 1.00 0.00 H new ATOM 0 HA ALA A 183 24.547 -20.678 15.775 1.00 0.00 H new ATOM 0 HB1 ALA A 183 24.859 -20.035 18.150 1.00 0.00 H new ATOM 0 HB2 ALA A 183 23.489 -19.167 17.417 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.191 -20.545 18.504 1.00 0.00 H new ATOM 268 N SER A 184 23.584 -23.347 17.415 1.00 0.00 N ATOM 269 CA SER A 184 24.051 -24.700 17.847 1.00 0.00 C ATOM 270 C SER A 184 24.729 -25.385 16.663 1.00 0.00 C ATOM 271 O SER A 184 25.832 -25.925 16.790 1.00 0.00 O ATOM 272 CB SER A 184 22.863 -25.540 18.315 1.00 0.00 C ATOM 273 OG SER A 184 23.332 -26.614 19.119 1.00 0.00 O ATOM 0 H SER A 184 22.579 -23.192 17.499 1.00 0.00 H new ATOM 0 HA SER A 184 24.754 -24.598 18.673 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.168 -24.922 18.884 1.00 0.00 H new ATOM 0 HB3 SER A 184 22.316 -25.927 17.455 1.00 0.00 H new ATOM 0 HG SER A 184 22.571 -27.153 19.421 1.00 0.00 H new ATOM 279 N LEU A 185 24.078 -25.375 15.523 1.00 0.00 N ATOM 280 CA LEU A 185 24.642 -26.026 14.297 1.00 0.00 C ATOM 281 C LEU A 185 25.931 -25.333 13.840 1.00 0.00 C ATOM 282 O LEU A 185 26.876 -26.003 13.415 1.00 0.00 O ATOM 283 CB LEU A 185 23.605 -25.978 13.149 1.00 0.00 C ATOM 284 CG LEU A 185 22.518 -27.076 13.276 1.00 0.00 C ATOM 285 CD1 LEU A 185 23.136 -28.477 13.181 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.750 -26.936 14.597 1.00 0.00 C ATOM 0 H LEU A 185 23.167 -24.937 15.389 1.00 0.00 H new ATOM 0 HA LEU A 185 24.874 -27.061 14.547 1.00 0.00 H new ATOM 0 HB2 LEU A 185 23.126 -24.999 13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 185 24.120 -26.091 12.195 1.00 0.00 H new ATOM 0 HG LEU A 185 21.821 -26.945 12.448 1.00 0.00 H new ATOM 0 HD11 LEU A 185 22.351 -29.228 13.273 1.00 0.00 H new ATOM 0 HD12 LEU A 185 23.635 -28.590 12.219 1.00 0.00 H new ATOM 0 HD13 LEU A 185 23.861 -28.610 13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.993 -27.718 14.662 1.00 0.00 H new ATOM 0 HD22 LEU A 185 22.443 -27.031 15.433 1.00 0.00 H new ATOM 0 HD23 LEU A 185 21.267 -25.959 14.636 1.00 0.00 H new ATOM 298 N THR A 186 25.973 -24.015 13.875 1.00 0.00 N ATOM 299 CA THR A 186 27.186 -23.269 13.396 1.00 0.00 C ATOM 300 C THR A 186 28.364 -23.466 14.350 1.00 0.00 C ATOM 301 O THR A 186 29.486 -23.730 13.906 1.00 0.00 O ATOM 302 CB THR A 186 26.868 -21.771 13.271 1.00 0.00 C ATOM 303 OG1 THR A 186 25.553 -21.614 12.756 1.00 0.00 O ATOM 304 CG2 THR A 186 27.868 -21.096 12.323 1.00 0.00 C ATOM 0 H THR A 186 25.215 -23.424 14.217 1.00 0.00 H new ATOM 0 HA THR A 186 27.462 -23.665 12.419 1.00 0.00 H new ATOM 0 HB THR A 186 26.941 -21.307 14.254 1.00 0.00 H new ATOM 0 HG1 THR A 186 25.345 -20.660 12.676 1.00 0.00 H new ATOM 0 HG21 THR A 186 27.633 -20.035 12.242 1.00 0.00 H new ATOM 0 HG22 THR A 186 28.878 -21.215 12.715 1.00 0.00 H new ATOM 0 HG23 THR A 186 27.804 -21.558 11.338 1.00 0.00 H new ATOM 312 N ILE A 187 28.142 -23.325 15.635 1.00 0.00 N ATOM 313 CA ILE A 187 29.255 -23.484 16.630 1.00 0.00 C ATOM 314 C ILE A 187 29.723 -24.939 16.641 1.00 0.00 C ATOM 315 O ILE A 187 30.923 -25.211 16.711 1.00 0.00 O ATOM 316 CB ILE A 187 28.782 -23.082 18.045 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.217 -21.648 18.033 1.00 0.00 C ATOM 318 CG2 ILE A 187 29.963 -23.147 19.026 1.00 0.00 C ATOM 319 CD1 ILE A 187 27.366 -21.425 19.286 1.00 0.00 C ATOM 0 H ILE A 187 27.233 -23.105 16.042 1.00 0.00 H new ATOM 0 HA ILE A 187 30.079 -22.832 16.341 1.00 0.00 H new ATOM 0 HB ILE A 187 28.001 -23.774 18.359 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.032 -20.925 18.000 1.00 0.00 H new ATOM 0 HG13 ILE A 187 27.615 -21.490 17.138 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.624 -22.863 20.022 1.00 0.00 H new ATOM 0 HG22 ILE A 187 30.358 -24.163 19.053 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.745 -22.462 18.699 1.00 0.00 H new ATOM 0 HD11 ILE A 187 26.966 -20.411 19.278 1.00 0.00 H new ATOM 0 HD12 ILE A 187 26.543 -22.140 19.299 1.00 0.00 H new ATOM 0 HD13 ILE A 187 27.982 -21.565 20.174 1.00 0.00 H new ATOM 331 N TRP A 188 28.797 -25.866 16.603 1.00 0.00 N ATOM 332 CA TRP A 188 29.152 -27.318 16.647 1.00 0.00 C ATOM 333 C TRP A 188 30.089 -27.689 15.495 1.00 0.00 C ATOM 334 O TRP A 188 30.997 -28.507 15.676 1.00 0.00 O ATOM 335 CB TRP A 188 27.877 -28.163 16.562 1.00 0.00 C ATOM 336 CG TRP A 188 28.180 -29.585 16.917 1.00 0.00 C ATOM 337 CD1 TRP A 188 28.417 -30.575 16.026 1.00 0.00 C ATOM 338 CD2 TRP A 188 28.275 -30.192 18.239 1.00 0.00 C ATOM 339 NE1 TRP A 188 28.653 -31.750 16.716 1.00 0.00 N ATOM 340 CE2 TRP A 188 28.577 -31.566 18.083 1.00 0.00 C ATOM 341 CE3 TRP A 188 28.133 -29.688 19.545 1.00 0.00 C ATOM 342 CZ2 TRP A 188 28.732 -32.410 19.182 1.00 0.00 C ATOM 343 CZ3 TRP A 188 28.287 -30.536 20.655 1.00 0.00 C ATOM 344 CH2 TRP A 188 28.586 -31.894 20.473 1.00 0.00 C ATOM 0 H TRP A 188 27.797 -25.675 16.543 1.00 0.00 H new ATOM 0 HA TRP A 188 29.666 -27.517 17.588 1.00 0.00 H new ATOM 0 HB2 TRP A 188 27.121 -27.764 17.238 1.00 0.00 H new ATOM 0 HB3 TRP A 188 27.463 -28.111 15.555 1.00 0.00 H new ATOM 0 HD1 TRP A 188 28.421 -30.466 14.952 1.00 0.00 H new ATOM 0 HE1 TRP A 188 28.858 -32.644 16.270 1.00 0.00 H new ATOM 0 HE3 TRP A 188 27.904 -28.643 19.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 28.963 -33.455 19.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 28.175 -30.140 21.653 1.00 0.00 H new ATOM 0 HH2 TRP A 188 28.703 -32.541 21.330 1.00 0.00 H new ATOM 517 N THR B 172 15.338 -6.852 14.311 1.00 0.00 N ATOM 518 CA THR B 172 15.470 -8.336 14.135 1.00 0.00 C ATOM 519 C THR B 172 16.945 -8.731 14.234 1.00 0.00 C ATOM 520 O THR B 172 17.277 -9.829 14.692 1.00 0.00 O ATOM 521 CB THR B 172 14.897 -8.777 12.775 1.00 0.00 C ATOM 522 OG1 THR B 172 15.122 -10.170 12.603 1.00 0.00 O ATOM 523 CG2 THR B 172 15.574 -8.011 11.628 1.00 0.00 C ATOM 0 HA THR B 172 14.904 -8.835 14.922 1.00 0.00 H new ATOM 0 HB THR B 172 13.828 -8.562 12.758 1.00 0.00 H new ATOM 0 HG1 THR B 172 14.758 -10.456 11.739 1.00 0.00 H new ATOM 0 HG21 THR B 172 15.155 -8.337 10.676 1.00 0.00 H new ATOM 0 HG22 THR B 172 15.402 -6.942 11.753 1.00 0.00 H new ATOM 0 HG23 THR B 172 16.646 -8.210 11.640 1.00 0.00 H new ATOM 531 N VAL B 173 17.827 -7.859 13.805 1.00 0.00 N ATOM 532 CA VAL B 173 19.292 -8.152 13.858 1.00 0.00 C ATOM 533 C VAL B 173 19.740 -8.188 15.316 1.00 0.00 C ATOM 534 O VAL B 173 20.532 -9.049 15.710 1.00 0.00 O ATOM 535 CB VAL B 173 20.106 -7.078 13.106 1.00 0.00 C ATOM 536 CG1 VAL B 173 21.533 -7.582 12.894 1.00 0.00 C ATOM 537 CG2 VAL B 173 19.479 -6.780 11.738 1.00 0.00 C ATOM 0 H VAL B 173 17.589 -6.946 13.416 1.00 0.00 H new ATOM 0 HA VAL B 173 19.468 -9.115 13.378 1.00 0.00 H new ATOM 0 HB VAL B 173 20.109 -6.165 13.702 1.00 0.00 H new ATOM 0 HG11 VAL B 173 22.111 -6.826 12.363 1.00 0.00 H new ATOM 0 HG12 VAL B 173 21.996 -7.780 13.861 1.00 0.00 H new ATOM 0 HG13 VAL B 173 21.511 -8.500 12.307 1.00 0.00 H new ATOM 0 HG21 VAL B 173 20.069 -6.020 11.225 1.00 0.00 H new ATOM 0 HG22 VAL B 173 19.461 -7.691 11.140 1.00 0.00 H new ATOM 0 HG23 VAL B 173 18.461 -6.417 11.876 1.00 0.00 H new ATOM 547 N THR B 174 19.268 -7.250 16.115 1.00 0.00 N ATOM 548 CA THR B 174 19.682 -7.189 17.555 1.00 0.00 C ATOM 549 C THR B 174 19.187 -8.417 18.318 1.00 0.00 C ATOM 550 O THR B 174 19.941 -8.998 19.107 1.00 0.00 O ATOM 551 CB THR B 174 19.111 -5.926 18.203 1.00 0.00 C ATOM 552 OG1 THR B 174 17.708 -5.874 17.979 1.00 0.00 O ATOM 553 CG2 THR B 174 19.774 -4.694 17.588 1.00 0.00 C ATOM 0 H THR B 174 18.612 -6.524 15.827 1.00 0.00 H new ATOM 0 HA THR B 174 20.771 -7.168 17.597 1.00 0.00 H new ATOM 0 HB THR B 174 19.307 -5.945 19.275 1.00 0.00 H new ATOM 0 HG1 THR B 174 17.340 -5.066 18.395 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.368 -3.794 18.049 1.00 0.00 H new ATOM 0 HG22 THR B 174 20.850 -4.736 17.760 1.00 0.00 H new ATOM 0 HG23 THR B 174 19.578 -4.672 16.516 1.00 0.00 H new ATOM 561 N ILE B 175 17.952 -8.825 18.106 1.00 0.00 N ATOM 562 CA ILE B 175 17.417 -10.025 18.829 1.00 0.00 C ATOM 563 C ILE B 175 18.167 -11.279 18.363 1.00 0.00 C ATOM 564 O ILE B 175 18.457 -12.172 19.166 1.00 0.00 O ATOM 565 CB ILE B 175 15.893 -10.160 18.612 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.343 -11.303 19.485 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.575 -10.439 17.138 1.00 0.00 C ATOM 568 CD1 ILE B 175 13.818 -11.181 19.617 1.00 0.00 C ATOM 0 H ILE B 175 17.296 -8.379 17.465 1.00 0.00 H new ATOM 0 HA ILE B 175 17.579 -9.904 19.900 1.00 0.00 H new ATOM 0 HB ILE B 175 15.420 -9.220 18.897 1.00 0.00 H new ATOM 0 HG12 ILE B 175 15.601 -12.265 19.043 1.00 0.00 H new ATOM 0 HG13 ILE B 175 15.805 -11.271 20.472 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.496 -10.530 17.009 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.946 -9.618 16.524 1.00 0.00 H new ATOM 0 HG23 ILE B 175 16.057 -11.367 16.831 1.00 0.00 H new ATOM 0 HD11 ILE B 175 13.440 -11.994 20.236 1.00 0.00 H new ATOM 0 HD12 ILE B 175 13.568 -10.226 20.080 1.00 0.00 H new ATOM 0 HD13 ILE B 175 13.362 -11.235 18.629 1.00 0.00 H new ATOM 580 N PHE B 176 18.477 -11.358 17.084 1.00 0.00 N ATOM 581 CA PHE B 176 19.204 -12.550 16.542 1.00 0.00 C ATOM 582 C PHE B 176 20.580 -12.648 17.206 1.00 0.00 C ATOM 583 O PHE B 176 20.989 -13.726 17.644 1.00 0.00 O ATOM 584 CB PHE B 176 19.379 -12.414 15.005 1.00 0.00 C ATOM 585 CG PHE B 176 18.592 -13.483 14.257 1.00 0.00 C ATOM 586 CD1 PHE B 176 18.895 -14.840 14.447 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.573 -13.117 13.370 1.00 0.00 C ATOM 588 CE1 PHE B 176 18.179 -15.823 13.753 1.00 0.00 C ATOM 589 CE2 PHE B 176 16.857 -14.099 12.677 1.00 0.00 C ATOM 590 CZ PHE B 176 17.159 -15.451 12.869 1.00 0.00 C ATOM 0 H PHE B 176 18.255 -10.642 16.392 1.00 0.00 H new ATOM 0 HA PHE B 176 18.627 -13.450 16.755 1.00 0.00 H new ATOM 0 HB2 PHE B 176 19.047 -11.426 14.686 1.00 0.00 H new ATOM 0 HB3 PHE B 176 20.436 -12.493 14.750 1.00 0.00 H new ATOM 0 HD1 PHE B 176 19.682 -15.127 15.129 1.00 0.00 H new ATOM 0 HD2 PHE B 176 17.339 -12.073 13.220 1.00 0.00 H new ATOM 0 HE1 PHE B 176 18.413 -16.867 13.899 1.00 0.00 H new ATOM 0 HE2 PHE B 176 16.071 -13.813 11.994 1.00 0.00 H new ATOM 0 HZ PHE B 176 16.605 -16.209 12.335 1.00 0.00 H new ATOM 600 N VAL B 177 21.297 -11.547 17.271 1.00 0.00 N ATOM 601 CA VAL B 177 22.665 -11.548 17.887 1.00 0.00 C ATOM 602 C VAL B 177 22.554 -11.848 19.386 1.00 0.00 C ATOM 603 O VAL B 177 23.389 -12.571 19.936 1.00 0.00 O ATOM 604 CB VAL B 177 23.363 -10.191 17.644 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.765 -10.189 18.269 1.00 0.00 C ATOM 606 CG2 VAL B 177 23.496 -9.951 16.136 1.00 0.00 C ATOM 0 H VAL B 177 20.989 -10.640 16.920 1.00 0.00 H new ATOM 0 HA VAL B 177 23.271 -12.325 17.421 1.00 0.00 H new ATOM 0 HB VAL B 177 22.764 -9.404 18.102 1.00 0.00 H new ATOM 0 HG11 VAL B 177 25.242 -9.226 18.088 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.685 -10.359 19.343 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.365 -10.981 17.820 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.988 -8.994 15.962 1.00 0.00 H new ATOM 0 HG22 VAL B 177 24.089 -10.750 15.691 1.00 0.00 H new ATOM 0 HG23 VAL B 177 22.506 -9.938 15.681 1.00 0.00 H new ATOM 616 N ALA B 178 21.558 -11.303 20.051 1.00 0.00 N ATOM 617 CA ALA B 178 21.398 -11.542 21.520 1.00 0.00 C ATOM 618 C ALA B 178 21.224 -13.035 21.782 1.00 0.00 C ATOM 619 O ALA B 178 21.771 -13.565 22.754 1.00 0.00 O ATOM 620 CB ALA B 178 20.181 -10.777 22.044 1.00 0.00 C ATOM 0 H ALA B 178 20.848 -10.701 19.635 1.00 0.00 H new ATOM 0 HA ALA B 178 22.289 -11.188 22.039 1.00 0.00 H new ATOM 0 HB1 ALA B 178 20.071 -10.956 23.114 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.318 -9.710 21.867 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.285 -11.119 21.525 1.00 0.00 H new ATOM 626 N GLY B 179 20.478 -13.719 20.941 1.00 0.00 N ATOM 627 CA GLY B 179 20.256 -15.188 21.133 1.00 0.00 C ATOM 628 C GLY B 179 21.550 -15.953 20.856 1.00 0.00 C ATOM 629 O GLY B 179 21.870 -16.913 21.566 1.00 0.00 O ATOM 0 H GLY B 179 20.012 -13.318 20.127 1.00 0.00 H new ATOM 0 HA2 GLY B 179 19.919 -15.383 22.151 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.468 -15.536 20.465 1.00 0.00 H new ATOM 633 N VAL B 180 22.297 -15.551 19.847 1.00 0.00 N ATOM 634 CA VAL B 180 23.581 -16.252 19.513 1.00 0.00 C ATOM 635 C VAL B 180 24.578 -16.014 20.649 1.00 0.00 C ATOM 636 O VAL B 180 25.288 -16.937 21.063 1.00 0.00 O ATOM 637 CB VAL B 180 24.148 -15.721 18.178 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.454 -16.451 17.824 1.00 0.00 C ATOM 639 CG2 VAL B 180 23.127 -15.947 17.053 1.00 0.00 C ATOM 0 H VAL B 180 22.069 -14.764 19.240 1.00 0.00 H new ATOM 0 HA VAL B 180 23.401 -17.321 19.402 1.00 0.00 H new ATOM 0 HB VAL B 180 24.349 -14.655 18.287 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.842 -16.066 16.881 1.00 0.00 H new ATOM 0 HG12 VAL B 180 26.188 -16.286 18.613 1.00 0.00 H new ATOM 0 HG13 VAL B 180 25.259 -17.519 17.727 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.532 -15.571 16.113 1.00 0.00 H new ATOM 0 HG22 VAL B 180 22.920 -17.013 16.958 1.00 0.00 H new ATOM 0 HG23 VAL B 180 22.204 -15.418 17.288 1.00 0.00 H new ATOM 649 N LEU B 181 24.646 -14.799 21.146 1.00 0.00 N ATOM 650 CA LEU B 181 25.598 -14.473 22.253 1.00 0.00 C ATOM 651 C LEU B 181 25.227 -15.285 23.488 1.00 0.00 C ATOM 652 O LEU B 181 26.106 -15.835 24.159 1.00 0.00 O ATOM 653 CB LEU B 181 25.534 -12.967 22.559 1.00 0.00 C ATOM 654 CG LEU B 181 26.617 -12.570 23.592 1.00 0.00 C ATOM 655 CD1 LEU B 181 26.971 -11.084 23.422 1.00 0.00 C ATOM 656 CD2 LEU B 181 26.101 -12.807 25.027 1.00 0.00 C ATOM 0 H LEU B 181 24.077 -14.015 20.828 1.00 0.00 H new ATOM 0 HA LEU B 181 26.616 -14.725 21.955 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.675 -12.398 21.640 1.00 0.00 H new ATOM 0 HB3 LEU B 181 24.547 -12.711 22.944 1.00 0.00 H new ATOM 0 HG LEU B 181 27.502 -13.184 23.424 1.00 0.00 H new ATOM 0 HD11 LEU B 181 27.733 -10.806 24.150 1.00 0.00 H new ATOM 0 HD12 LEU B 181 27.351 -10.914 22.415 1.00 0.00 H new ATOM 0 HD13 LEU B 181 26.080 -10.477 23.581 1.00 0.00 H new ATOM 0 HD21 LEU B 181 26.873 -12.524 25.743 1.00 0.00 H new ATOM 0 HD22 LEU B 181 25.209 -12.204 25.197 1.00 0.00 H new ATOM 0 HD23 LEU B 181 25.856 -13.861 25.156 1.00 0.00 H new ATOM 668 N THR B 182 23.953 -15.375 23.796 1.00 0.00 N ATOM 669 CA THR B 182 23.503 -16.155 24.992 1.00 0.00 C ATOM 670 C THR B 182 23.891 -17.621 24.812 1.00 0.00 C ATOM 671 O THR B 182 24.383 -18.259 25.750 1.00 0.00 O ATOM 672 CB THR B 182 21.981 -16.025 25.163 1.00 0.00 C ATOM 673 OG1 THR B 182 21.617 -14.648 25.173 1.00 0.00 O ATOM 674 CG2 THR B 182 21.548 -16.669 26.482 1.00 0.00 C ATOM 0 H THR B 182 23.201 -14.937 23.264 1.00 0.00 H new ATOM 0 HA THR B 182 23.986 -15.762 25.886 1.00 0.00 H new ATOM 0 HB THR B 182 21.486 -16.530 24.333 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.564 -14.317 24.252 1.00 0.00 H new ATOM 0 HG21 THR B 182 20.468 -16.573 26.597 1.00 0.00 H new ATOM 0 HG22 THR B 182 21.820 -17.724 26.478 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.047 -16.169 27.312 1.00 0.00 H new ATOM 682 N ALA B 183 23.678 -18.160 23.635 1.00 0.00 N ATOM 683 CA ALA B 183 24.023 -19.592 23.368 1.00 0.00 C ATOM 684 C ALA B 183 25.535 -19.789 23.451 1.00 0.00 C ATOM 685 O ALA B 183 26.004 -20.841 23.895 1.00 0.00 O ATOM 686 CB ALA B 183 23.529 -19.998 21.978 1.00 0.00 C ATOM 0 H ALA B 183 23.276 -17.663 22.840 1.00 0.00 H new ATOM 0 HA ALA B 183 23.538 -20.216 24.118 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.784 -21.041 21.792 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.447 -19.874 21.926 1.00 0.00 H new ATOM 0 HB3 ALA B 183 24.003 -19.368 21.225 1.00 0.00 H new ATOM 692 N SER B 184 26.302 -18.808 23.027 1.00 0.00 N ATOM 693 CA SER B 184 27.792 -18.926 23.064 1.00 0.00 C ATOM 694 C SER B 184 28.264 -19.099 24.506 1.00 0.00 C ATOM 695 O SER B 184 29.066 -19.990 24.798 1.00 0.00 O ATOM 696 CB SER B 184 28.432 -17.675 22.463 1.00 0.00 C ATOM 697 OG SER B 184 29.761 -17.975 22.060 1.00 0.00 O ATOM 0 H SER B 184 25.953 -17.925 22.655 1.00 0.00 H new ATOM 0 HA SER B 184 28.090 -19.797 22.480 1.00 0.00 H new ATOM 0 HB2 SER B 184 27.850 -17.329 21.609 1.00 0.00 H new ATOM 0 HB3 SER B 184 28.435 -16.867 23.194 1.00 0.00 H new ATOM 0 HG SER B 184 30.174 -17.175 21.673 1.00 0.00 H new ATOM 703 N LEU B 185 27.798 -18.254 25.398 1.00 0.00 N ATOM 704 CA LEU B 185 28.226 -18.328 26.838 1.00 0.00 C ATOM 705 C LEU B 185 27.769 -19.642 27.474 1.00 0.00 C ATOM 706 O LEU B 185 28.511 -20.242 28.258 1.00 0.00 O ATOM 707 CB LEU B 185 27.674 -17.132 27.652 1.00 0.00 C ATOM 708 CG LEU B 185 27.944 -15.792 26.939 1.00 0.00 C ATOM 709 CD1 LEU B 185 27.259 -14.662 27.708 1.00 0.00 C ATOM 710 CD2 LEU B 185 29.449 -15.511 26.876 1.00 0.00 C ATOM 0 H LEU B 185 27.133 -17.509 25.190 1.00 0.00 H new ATOM 0 HA LEU B 185 29.315 -18.285 26.856 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.602 -17.256 27.802 1.00 0.00 H new ATOM 0 HB3 LEU B 185 28.134 -17.119 28.640 1.00 0.00 H new ATOM 0 HG LEU B 185 27.550 -15.851 25.924 1.00 0.00 H new ATOM 0 HD11 LEU B 185 27.448 -13.713 27.206 1.00 0.00 H new ATOM 0 HD12 LEU B 185 26.185 -14.845 27.744 1.00 0.00 H new ATOM 0 HD13 LEU B 185 27.654 -14.621 28.723 1.00 0.00 H new ATOM 0 HD21 LEU B 185 29.621 -14.561 26.369 1.00 0.00 H new ATOM 0 HD22 LEU B 185 29.852 -15.461 27.887 1.00 0.00 H new ATOM 0 HD23 LEU B 185 29.946 -16.310 26.326 1.00 0.00 H new ATOM 722 N THR B 186 26.563 -20.084 27.179 1.00 0.00 N ATOM 723 CA THR B 186 26.040 -21.351 27.791 1.00 0.00 C ATOM 724 C THR B 186 26.878 -22.537 27.339 1.00 0.00 C ATOM 725 O THR B 186 27.278 -23.373 28.156 1.00 0.00 O ATOM 726 CB THR B 186 24.584 -21.576 27.372 1.00 0.00 C ATOM 727 OG1 THR B 186 24.449 -21.316 25.982 1.00 0.00 O ATOM 728 CG2 THR B 186 23.670 -20.641 28.158 1.00 0.00 C ATOM 0 H THR B 186 25.919 -19.619 26.539 1.00 0.00 H new ATOM 0 HA THR B 186 26.097 -21.259 28.876 1.00 0.00 H new ATOM 0 HB THR B 186 24.303 -22.609 27.580 1.00 0.00 H new ATOM 0 HG1 THR B 186 25.327 -21.101 25.603 1.00 0.00 H new ATOM 0 HG21 THR B 186 22.636 -20.805 27.856 1.00 0.00 H new ATOM 0 HG22 THR B 186 23.773 -20.843 29.224 1.00 0.00 H new ATOM 0 HG23 THR B 186 23.947 -19.606 27.956 1.00 0.00 H new ATOM 736 N ILE B 187 27.141 -22.626 26.061 1.00 0.00 N ATOM 737 CA ILE B 187 27.949 -23.760 25.516 1.00 0.00 C ATOM 738 C ILE B 187 29.385 -23.660 26.044 1.00 0.00 C ATOM 739 O ILE B 187 30.034 -24.681 26.290 1.00 0.00 O ATOM 740 CB ILE B 187 27.957 -23.713 23.971 1.00 0.00 C ATOM 741 CG1 ILE B 187 26.513 -23.769 23.435 1.00 0.00 C ATOM 742 CG2 ILE B 187 28.752 -24.901 23.404 1.00 0.00 C ATOM 743 CD1 ILE B 187 26.487 -23.282 21.983 1.00 0.00 C ATOM 0 H ILE B 187 26.827 -21.953 25.362 1.00 0.00 H new ATOM 0 HA ILE B 187 27.506 -24.703 25.837 1.00 0.00 H new ATOM 0 HB ILE B 187 28.429 -22.782 23.657 1.00 0.00 H new ATOM 0 HG12 ILE B 187 26.131 -24.788 23.495 1.00 0.00 H new ATOM 0 HG13 ILE B 187 25.861 -23.148 24.050 1.00 0.00 H new ATOM 0 HG21 ILE B 187 28.749 -24.854 22.315 1.00 0.00 H new ATOM 0 HG22 ILE B 187 29.779 -24.857 23.766 1.00 0.00 H new ATOM 0 HG23 ILE B 187 28.292 -25.835 23.729 1.00 0.00 H new ATOM 0 HD11 ILE B 187 25.466 -23.322 21.604 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.852 -22.256 21.937 1.00 0.00 H new ATOM 0 HD13 ILE B 187 27.125 -23.921 21.373 1.00 0.00 H new ATOM 755 N TRP B 188 29.892 -22.456 26.184 1.00 0.00 N ATOM 756 CA TRP B 188 31.298 -22.259 26.653 1.00 0.00 C ATOM 757 C TRP B 188 31.509 -22.916 28.023 1.00 0.00 C ATOM 758 O TRP B 188 32.535 -23.569 28.240 1.00 0.00 O ATOM 759 CB TRP B 188 31.615 -20.749 26.745 1.00 0.00 C ATOM 760 CG TRP B 188 32.990 -20.457 26.216 1.00 0.00 C ATOM 761 CD1 TRP B 188 34.146 -20.664 26.887 1.00 0.00 C ATOM 762 CD2 TRP B 188 33.360 -19.910 24.920 1.00 0.00 C ATOM 763 NE1 TRP B 188 35.205 -20.279 26.082 1.00 0.00 N ATOM 764 CE2 TRP B 188 34.770 -19.806 24.858 1.00 0.00 C ATOM 765 CE3 TRP B 188 32.614 -19.498 23.800 1.00 0.00 C ATOM 766 CZ2 TRP B 188 35.416 -19.312 23.726 1.00 0.00 C ATOM 767 CZ3 TRP B 188 33.263 -18.999 22.659 1.00 0.00 C ATOM 768 CH2 TRP B 188 34.661 -18.907 22.622 1.00 0.00 C ATOM 0 H TRP B 188 29.383 -21.593 25.990 1.00 0.00 H new ATOM 0 HA TRP B 188 31.970 -22.728 25.934 1.00 0.00 H new ATOM 0 HB2 TRP B 188 30.875 -20.183 26.179 1.00 0.00 H new ATOM 0 HB3 TRP B 188 31.543 -20.421 27.782 1.00 0.00 H new ATOM 0 HD1 TRP B 188 34.229 -21.064 27.887 1.00 0.00 H new ATOM 0 HE1 TRP B 188 36.185 -20.337 26.358 1.00 0.00 H new ATOM 0 HE3 TRP B 188 31.536 -19.566 23.818 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 36.494 -19.243 23.702 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 32.681 -18.684 21.805 1.00 0.00 H new ATOM 0 HH2 TRP B 188 35.154 -18.523 21.741 1.00 0.00 H new ATOM 779 N LYS B 189 30.586 -22.739 28.950 1.00 0.00 N ATOM 780 CA LYS B 189 30.758 -23.339 30.318 1.00 0.00 C ATOM 781 C LYS B 189 30.573 -24.859 30.269 1.00 0.00 C ATOM 782 O LYS B 189 31.135 -25.577 31.103 1.00 0.00 O ATOM 783 CB LYS B 189 29.766 -22.725 31.322 1.00 0.00 C ATOM 784 CG LYS B 189 28.316 -22.909 30.842 1.00 0.00 C ATOM 785 CD LYS B 189 27.355 -22.760 32.036 1.00 0.00 C ATOM 786 CE LYS B 189 25.896 -23.020 31.609 1.00 0.00 C ATOM 787 NZ LYS B 189 25.164 -21.723 31.508 1.00 0.00 N ATOM 0 H LYS B 189 29.726 -22.207 28.817 1.00 0.00 H new ATOM 0 HA LYS B 189 31.771 -23.115 30.651 1.00 0.00 H new ATOM 0 HB2 LYS B 189 29.893 -23.194 32.298 1.00 0.00 H new ATOM 0 HB3 LYS B 189 29.980 -21.664 31.448 1.00 0.00 H new ATOM 0 HG2 LYS B 189 28.079 -22.170 30.077 1.00 0.00 H new ATOM 0 HG3 LYS B 189 28.195 -23.891 30.385 1.00 0.00 H new ATOM 0 HD2 LYS B 189 27.637 -23.459 32.823 1.00 0.00 H new ATOM 0 HD3 LYS B 189 27.442 -21.757 32.454 1.00 0.00 H new ATOM 0 HE2 LYS B 189 25.874 -23.537 30.650 1.00 0.00 H new ATOM 0 HE3 LYS B 189 25.405 -23.671 32.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 24.260 -21.872 31.015 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 24.981 -21.353 32.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 25.740 -21.040 30.976 1.00 0.00 H new ATOM 801 N LYS B 190 29.799 -25.360 29.331 1.00 0.00 N ATOM 802 CA LYS B 190 29.573 -26.841 29.238 1.00 0.00 C ATOM 803 C LYS B 190 30.789 -27.527 28.614 1.00 0.00 C ATOM 804 O LYS B 190 31.047 -28.704 28.889 1.00 0.00 O ATOM 805 CB LYS B 190 28.322 -27.133 28.402 1.00 0.00 C ATOM 806 CG LYS B 190 27.887 -28.598 28.605 1.00 0.00 C ATOM 807 CD LYS B 190 26.387 -28.750 28.307 1.00 0.00 C ATOM 808 CE LYS B 190 25.569 -28.215 29.491 1.00 0.00 C ATOM 809 NZ LYS B 190 24.110 -28.261 29.170 1.00 0.00 N ATOM 0 H LYS B 190 29.314 -24.806 28.625 1.00 0.00 H new ATOM 0 HA LYS B 190 29.427 -27.233 30.244 1.00 0.00 H new ATOM 0 HB2 LYS B 190 27.515 -26.461 28.693 1.00 0.00 H new ATOM 0 HB3 LYS B 190 28.527 -26.948 27.348 1.00 0.00 H new ATOM 0 HG2 LYS B 190 28.464 -29.251 27.950 1.00 0.00 H new ATOM 0 HG3 LYS B 190 28.096 -28.909 29.629 1.00 0.00 H new ATOM 0 HD2 LYS B 190 26.130 -28.205 27.399 1.00 0.00 H new ATOM 0 HD3 LYS B 190 26.146 -29.798 28.129 1.00 0.00 H new ATOM 0 HE2 LYS B 190 25.772 -28.810 30.382 1.00 0.00 H new ATOM 0 HE3 LYS B 190 25.868 -27.191 29.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 23.565 -27.897 29.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 23.920 -27.675 28.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 23.828 -29.243 28.977 1.00 0.00 H new ATOM 823 N MET B 191 31.541 -26.822 27.795 1.00 0.00 N ATOM 824 CA MET B 191 32.755 -27.426 27.156 1.00 0.00 C ATOM 825 C MET B 191 34.003 -27.001 27.941 1.00 0.00 C ATOM 826 O MET B 191 35.094 -26.861 27.372 1.00 0.00 O ATOM 827 CB MET B 191 32.864 -26.971 25.695 1.00 0.00 C ATOM 828 CG MET B 191 31.753 -27.617 24.854 1.00 0.00 C ATOM 829 SD MET B 191 32.293 -27.722 23.131 1.00 0.00 S ATOM 830 CE MET B 191 30.886 -28.674 22.505 1.00 0.00 C ATOM 0 H MET B 191 31.363 -25.850 27.542 1.00 0.00 H new ATOM 0 HA MET B 191 32.672 -28.513 27.172 1.00 0.00 H new ATOM 0 HB2 MET B 191 32.788 -25.885 25.638 1.00 0.00 H new ATOM 0 HB3 MET B 191 33.840 -27.244 25.293 1.00 0.00 H new ATOM 0 HG2 MET B 191 31.523 -28.611 25.236 1.00 0.00 H new ATOM 0 HG3 MET B 191 30.838 -27.029 24.925 1.00 0.00 H new ATOM 0 HE1 MET B 191 31.016 -28.856 21.438 1.00 0.00 H new ATOM 0 HE2 MET B 191 30.828 -29.627 23.031 1.00 0.00 H new ATOM 0 HE3 MET B 191 29.966 -28.113 22.668 1.00 0.00 H new