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= -0.202 X(o=-0.2,f=-0.21) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot -81:sc= 0.979 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 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 68:sc= 1.2 USER MOD Single : B 184 SER OG : rot 180:sc= -0.0159 USER MOD Single : B 186 THR OG1 : rot -11:sc= 0.0646 USER MOD Single : B 189 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.114) 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 6.321 -14.423 18.344 1.00 0.00 N ATOM 77 CA GLN A 171 7.258 -14.103 17.220 1.00 0.00 C ATOM 78 C GLN A 171 8.664 -13.871 17.778 1.00 0.00 C ATOM 79 O GLN A 171 9.657 -14.242 17.144 1.00 0.00 O ATOM 80 CB GLN A 171 6.774 -12.852 16.474 1.00 0.00 C ATOM 81 CG GLN A 171 7.616 -12.634 15.211 1.00 0.00 C ATOM 82 CD GLN A 171 7.342 -13.742 14.197 1.00 0.00 C ATOM 83 OE1 GLN A 171 6.208 -13.905 13.744 1.00 0.00 O ATOM 84 NE2 GLN A 171 8.318 -14.518 13.812 1.00 0.00 N ATOM 0 HA GLN A 171 7.283 -14.939 16.521 1.00 0.00 H new ATOM 0 HB2 GLN A 171 5.723 -12.963 16.206 1.00 0.00 H new ATOM 0 HB3 GLN A 171 6.847 -11.980 17.124 1.00 0.00 H new ATOM 0 HG2 GLN A 171 7.383 -11.664 14.772 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.675 -12.621 15.469 1.00 0.00 H new ATOM 0 HE21 GLN A 171 9.256 -14.382 14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 171 8.142 -15.261 13.135 1.00 0.00 H new ATOM 93 N THR A 172 8.763 -13.272 18.945 1.00 0.00 N ATOM 94 CA THR A 172 10.099 -13.009 19.566 1.00 0.00 C ATOM 95 C THR A 172 10.716 -14.332 20.010 1.00 0.00 C ATOM 96 O THR A 172 11.930 -14.530 19.901 1.00 0.00 O ATOM 97 CB THR A 172 9.945 -12.071 20.772 1.00 0.00 C ATOM 98 OG1 THR A 172 9.196 -10.926 20.387 1.00 0.00 O ATOM 99 CG2 THR A 172 11.324 -11.631 21.277 1.00 0.00 C ATOM 0 H THR A 172 7.966 -12.953 19.496 1.00 0.00 H new ATOM 0 HA THR A 172 10.750 -12.531 18.834 1.00 0.00 H new ATOM 0 HB THR A 172 9.425 -12.600 21.571 1.00 0.00 H new ATOM 0 HG1 THR A 172 9.095 -10.327 21.156 1.00 0.00 H new ATOM 0 HG21 THR A 172 11.203 -10.966 22.132 1.00 0.00 H new ATOM 0 HG22 THR A 172 11.898 -12.508 21.577 1.00 0.00 H new ATOM 0 HG23 THR A 172 11.852 -11.106 20.481 1.00 0.00 H new ATOM 107 N VAL A 173 9.907 -15.229 20.523 1.00 0.00 N ATOM 108 CA VAL A 173 10.423 -16.553 20.996 1.00 0.00 C ATOM 109 C VAL A 173 10.888 -17.372 19.795 1.00 0.00 C ATOM 110 O VAL A 173 11.944 -18.007 19.842 1.00 0.00 O ATOM 111 CB VAL A 173 9.336 -17.347 21.749 1.00 0.00 C ATOM 112 CG1 VAL A 173 9.988 -18.496 22.519 1.00 0.00 C ATOM 113 CG2 VAL A 173 8.591 -16.449 22.745 1.00 0.00 C ATOM 0 H VAL A 173 8.902 -15.099 20.635 1.00 0.00 H new ATOM 0 HA VAL A 173 11.251 -16.367 21.680 1.00 0.00 H new ATOM 0 HB VAL A 173 8.625 -17.731 21.017 1.00 0.00 H new ATOM 0 HG11 VAL A 173 9.221 -19.058 23.052 1.00 0.00 H new ATOM 0 HG12 VAL A 173 10.503 -19.156 21.821 1.00 0.00 H new ATOM 0 HG13 VAL A 173 10.706 -18.094 23.234 1.00 0.00 H new ATOM 0 HG21 VAL A 173 7.830 -17.033 23.263 1.00 0.00 H new ATOM 0 HG22 VAL A 173 9.297 -16.048 23.472 1.00 0.00 H new ATOM 0 HG23 VAL A 173 8.116 -15.627 22.209 1.00 0.00 H new ATOM 123 N THR A 174 10.102 -17.395 18.739 1.00 0.00 N ATOM 124 CA THR A 174 10.461 -18.209 17.531 1.00 0.00 C ATOM 125 C THR A 174 11.730 -17.683 16.859 1.00 0.00 C ATOM 126 O THR A 174 12.591 -18.478 16.466 1.00 0.00 O ATOM 127 CB THR A 174 9.301 -18.184 16.528 1.00 0.00 C ATOM 128 OG1 THR A 174 8.084 -18.456 17.209 1.00 0.00 O ATOM 129 CG2 THR A 174 9.528 -19.244 15.446 1.00 0.00 C ATOM 0 H THR A 174 9.224 -16.882 18.664 1.00 0.00 H new ATOM 0 HA THR A 174 10.649 -19.232 17.858 1.00 0.00 H new ATOM 0 HB THR A 174 9.248 -17.200 16.061 1.00 0.00 H new ATOM 0 HG1 THR A 174 7.341 -18.439 16.570 1.00 0.00 H new ATOM 0 HG21 THR A 174 8.701 -19.222 14.736 1.00 0.00 H new ATOM 0 HG22 THR A 174 10.461 -19.036 14.923 1.00 0.00 H new ATOM 0 HG23 THR A 174 9.583 -20.230 15.908 1.00 0.00 H new ATOM 137 N ILE A 175 11.865 -16.381 16.704 1.00 0.00 N ATOM 138 CA ILE A 175 13.086 -15.823 16.034 1.00 0.00 C ATOM 139 C ILE A 175 14.325 -16.083 16.899 1.00 0.00 C ATOM 140 O ILE A 175 15.385 -16.454 16.383 1.00 0.00 O ATOM 141 CB ILE A 175 12.911 -14.316 15.731 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.077 -13.828 14.850 1.00 0.00 C ATOM 143 CG2 ILE A 175 12.872 -13.497 17.028 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.849 -14.258 13.395 1.00 0.00 C ATOM 0 H ILE A 175 11.185 -15.686 17.012 1.00 0.00 H new ATOM 0 HA ILE A 175 13.225 -16.330 15.079 1.00 0.00 H new ATOM 0 HB ILE A 175 11.966 -14.178 15.206 1.00 0.00 H new ATOM 0 HG12 ILE A 175 14.159 -12.743 14.909 1.00 0.00 H new ATOM 0 HG13 ILE A 175 15.018 -14.239 15.216 1.00 0.00 H new ATOM 0 HG21 ILE A 175 12.748 -12.441 16.788 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.036 -13.830 17.643 1.00 0.00 H new ATOM 0 HG23 ILE A 175 13.804 -13.638 17.575 1.00 0.00 H new ATOM 0 HD11 ILE A 175 14.677 -13.909 12.778 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.790 -15.345 13.342 1.00 0.00 H new ATOM 0 HD13 ILE A 175 12.918 -13.826 13.029 1.00 0.00 H new ATOM 156 N PHE A 176 14.212 -15.883 18.196 1.00 0.00 N ATOM 157 CA PHE A 176 15.375 -16.099 19.114 1.00 0.00 C ATOM 158 C PHE A 176 15.826 -17.559 19.030 1.00 0.00 C ATOM 159 O PHE A 176 17.022 -17.837 18.915 1.00 0.00 O ATOM 160 CB PHE A 176 14.964 -15.766 20.569 1.00 0.00 C ATOM 161 CG PHE A 176 15.986 -14.864 21.233 1.00 0.00 C ATOM 162 CD1 PHE A 176 16.919 -15.394 22.133 1.00 0.00 C ATOM 163 CD2 PHE A 176 15.991 -13.497 20.951 1.00 0.00 C ATOM 164 CE1 PHE A 176 17.853 -14.554 22.749 1.00 0.00 C ATOM 165 CE2 PHE A 176 16.927 -12.655 21.564 1.00 0.00 C ATOM 166 CZ PHE A 176 17.859 -13.184 22.463 1.00 0.00 C ATOM 0 H PHE A 176 13.355 -15.577 18.658 1.00 0.00 H new ATOM 0 HA PHE A 176 16.195 -15.446 18.816 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.989 -15.279 20.572 1.00 0.00 H new ATOM 0 HB3 PHE A 176 14.862 -16.688 21.141 1.00 0.00 H new ATOM 0 HD1 PHE A 176 16.917 -16.452 22.352 1.00 0.00 H new ATOM 0 HD2 PHE A 176 15.271 -13.088 20.258 1.00 0.00 H new ATOM 0 HE1 PHE A 176 18.570 -14.963 23.446 1.00 0.00 H new ATOM 0 HE2 PHE A 176 16.929 -11.598 21.343 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.582 -12.536 22.936 1.00 0.00 H new ATOM 176 N VAL A 177 14.892 -18.485 19.100 1.00 0.00 N ATOM 177 CA VAL A 177 15.241 -19.941 19.050 1.00 0.00 C ATOM 178 C VAL A 177 15.919 -20.265 17.716 1.00 0.00 C ATOM 179 O VAL A 177 16.872 -21.047 17.685 1.00 0.00 O ATOM 180 CB VAL A 177 13.972 -20.800 19.261 1.00 0.00 C ATOM 181 CG1 VAL A 177 14.304 -22.297 19.156 1.00 0.00 C ATOM 182 CG2 VAL A 177 13.398 -20.517 20.657 1.00 0.00 C ATOM 0 H VAL A 177 13.895 -18.289 19.190 1.00 0.00 H new ATOM 0 HA VAL A 177 15.940 -20.176 19.853 1.00 0.00 H new ATOM 0 HB VAL A 177 13.246 -20.543 18.489 1.00 0.00 H new ATOM 0 HG11 VAL A 177 13.397 -22.882 19.308 1.00 0.00 H new ATOM 0 HG12 VAL A 177 14.713 -22.511 18.168 1.00 0.00 H new ATOM 0 HG13 VAL A 177 15.038 -22.561 19.917 1.00 0.00 H new ATOM 0 HG21 VAL A 177 12.503 -21.120 20.811 1.00 0.00 H new ATOM 0 HG22 VAL A 177 14.141 -20.769 21.414 1.00 0.00 H new ATOM 0 HG23 VAL A 177 13.142 -19.461 20.738 1.00 0.00 H new ATOM 192 N ALA A 178 15.454 -19.692 16.625 1.00 0.00 N ATOM 193 CA ALA A 178 16.077 -19.975 15.293 1.00 0.00 C ATOM 194 C ALA A 178 17.548 -19.563 15.328 1.00 0.00 C ATOM 195 O ALA A 178 18.401 -20.244 14.750 1.00 0.00 O ATOM 196 CB ALA A 178 15.347 -19.197 14.195 1.00 0.00 C ATOM 0 H ALA A 178 14.669 -19.041 16.603 1.00 0.00 H new ATOM 0 HA ALA A 178 16.000 -21.041 15.078 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.808 -19.410 13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.300 -19.498 14.171 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.413 -18.129 14.401 1.00 0.00 H new ATOM 202 N GLY A 179 17.856 -18.471 15.995 1.00 0.00 N ATOM 203 CA GLY A 179 19.273 -18.000 16.083 1.00 0.00 C ATOM 204 C GLY A 179 20.093 -18.980 16.923 1.00 0.00 C ATOM 205 O GLY A 179 21.251 -19.262 16.600 1.00 0.00 O ATOM 0 H GLY A 179 17.179 -17.885 16.484 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.701 -17.917 15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 179 19.309 -17.006 16.529 1.00 0.00 H new ATOM 209 N VAL A 180 19.518 -19.502 17.991 1.00 0.00 N ATOM 210 CA VAL A 180 20.259 -20.473 18.866 1.00 0.00 C ATOM 211 C VAL A 180 20.448 -21.783 18.106 1.00 0.00 C ATOM 212 O VAL A 180 21.517 -22.401 18.163 1.00 0.00 O ATOM 213 CB VAL A 180 19.485 -20.760 20.172 1.00 0.00 C ATOM 214 CG1 VAL A 180 20.389 -21.546 21.131 1.00 0.00 C ATOM 215 CG2 VAL A 180 19.037 -19.445 20.849 1.00 0.00 C ATOM 0 H VAL A 180 18.566 -19.295 18.292 1.00 0.00 H new ATOM 0 HA VAL A 180 21.222 -20.033 19.126 1.00 0.00 H new ATOM 0 HB VAL A 180 18.596 -21.343 19.930 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.848 -21.751 22.055 1.00 0.00 H new ATOM 0 HG12 VAL A 180 20.683 -22.487 20.665 1.00 0.00 H new ATOM 0 HG13 VAL A 180 21.280 -20.959 21.355 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.494 -19.674 21.766 1.00 0.00 H new ATOM 0 HG22 VAL A 180 19.913 -18.841 21.087 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.387 -18.890 20.172 1.00 0.00 H new ATOM 225 N LEU A 181 19.421 -22.219 17.419 1.00 0.00 N ATOM 226 CA LEU A 181 19.475 -23.503 16.660 1.00 0.00 C ATOM 227 C LEU A 181 20.542 -23.438 15.568 1.00 0.00 C ATOM 228 O LEU A 181 21.290 -24.402 15.382 1.00 0.00 O ATOM 229 CB LEU A 181 18.098 -23.778 16.038 1.00 0.00 C ATOM 230 CG LEU A 181 17.983 -25.260 15.599 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.523 -25.722 15.690 1.00 0.00 C ATOM 232 CD2 LEU A 181 18.453 -25.417 14.147 1.00 0.00 C ATOM 0 H LEU A 181 18.530 -21.727 17.352 1.00 0.00 H new ATOM 0 HA LEU A 181 19.737 -24.311 17.343 1.00 0.00 H new ATOM 0 HB2 LEU A 181 17.314 -23.545 16.759 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.945 -23.126 15.178 1.00 0.00 H new ATOM 0 HG LEU A 181 18.607 -25.864 16.258 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.451 -26.764 15.380 1.00 0.00 H new ATOM 0 HD12 LEU A 181 16.174 -25.625 16.718 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.905 -25.106 15.037 1.00 0.00 H new ATOM 0 HD21 LEU A 181 18.368 -26.462 13.848 1.00 0.00 H new ATOM 0 HD22 LEU A 181 17.833 -24.802 13.495 1.00 0.00 H new ATOM 0 HD23 LEU A 181 19.492 -25.099 14.065 1.00 0.00 H new ATOM 244 N THR A 182 20.627 -22.340 14.846 1.00 0.00 N ATOM 245 CA THR A 182 21.645 -22.223 13.747 1.00 0.00 C ATOM 246 C THR A 182 23.053 -22.214 14.335 1.00 0.00 C ATOM 247 O THR A 182 23.943 -22.938 13.860 1.00 0.00 O ATOM 248 CB THR A 182 21.420 -20.918 12.967 1.00 0.00 C ATOM 249 OG1 THR A 182 20.984 -19.906 13.865 1.00 0.00 O ATOM 250 CG2 THR A 182 20.358 -21.124 11.880 1.00 0.00 C ATOM 0 H THR A 182 20.034 -21.519 14.971 1.00 0.00 H new ATOM 0 HA THR A 182 21.536 -23.077 13.078 1.00 0.00 H new ATOM 0 HB THR A 182 22.356 -20.620 12.495 1.00 0.00 H new ATOM 0 HG1 THR A 182 20.022 -20.003 14.025 1.00 0.00 H new ATOM 0 HG21 THR A 182 20.209 -20.192 11.336 1.00 0.00 H new ATOM 0 HG22 THR A 182 20.690 -21.899 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 182 19.419 -21.429 12.342 1.00 0.00 H new ATOM 258 N ALA A 183 23.271 -21.417 15.351 1.00 0.00 N ATOM 259 CA ALA A 183 24.623 -21.341 15.986 1.00 0.00 C ATOM 260 C ALA A 183 24.960 -22.677 16.632 1.00 0.00 C ATOM 261 O ALA A 183 26.124 -23.093 16.637 1.00 0.00 O ATOM 262 CB ALA A 183 24.657 -20.219 17.029 1.00 0.00 C ATOM 0 H ALA A 183 22.566 -20.812 15.771 1.00 0.00 H new ATOM 0 HA ALA A 183 25.366 -21.120 15.220 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.647 -20.175 17.484 1.00 0.00 H new ATOM 0 HB2 ALA A 183 24.436 -19.267 16.546 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.912 -20.416 17.800 1.00 0.00 H new ATOM 268 N SER A 184 23.972 -23.359 17.162 1.00 0.00 N ATOM 269 CA SER A 184 24.216 -24.683 17.802 1.00 0.00 C ATOM 270 C SER A 184 24.843 -25.627 16.771 1.00 0.00 C ATOM 271 O SER A 184 25.677 -26.464 17.115 1.00 0.00 O ATOM 272 CB SER A 184 22.895 -25.275 18.298 1.00 0.00 C ATOM 273 OG SER A 184 23.166 -26.272 19.274 1.00 0.00 O ATOM 0 H SER A 184 23.000 -23.049 17.177 1.00 0.00 H new ATOM 0 HA SER A 184 24.889 -24.558 18.650 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.269 -24.491 18.725 1.00 0.00 H new ATOM 0 HB3 SER A 184 22.341 -25.706 17.465 1.00 0.00 H new ATOM 0 HG SER A 184 22.322 -26.653 19.596 1.00 0.00 H new ATOM 279 N LEU A 185 24.432 -25.520 15.521 1.00 0.00 N ATOM 280 CA LEU A 185 24.965 -26.430 14.447 1.00 0.00 C ATOM 281 C LEU A 185 26.467 -26.220 14.227 1.00 0.00 C ATOM 282 O LEU A 185 27.198 -27.200 14.039 1.00 0.00 O ATOM 283 CB LEU A 185 24.231 -26.227 13.087 1.00 0.00 C ATOM 284 CG LEU A 185 22.732 -25.856 13.238 1.00 0.00 C ATOM 285 CD1 LEU A 185 22.071 -25.887 11.859 1.00 0.00 C ATOM 286 CD2 LEU A 185 22.002 -26.843 14.165 1.00 0.00 C ATOM 0 H LEU A 185 23.746 -24.837 15.199 1.00 0.00 H new ATOM 0 HA LEU A 185 24.784 -27.446 14.799 1.00 0.00 H new ATOM 0 HB2 LEU A 185 24.736 -25.441 12.525 1.00 0.00 H new ATOM 0 HB3 LEU A 185 24.313 -27.142 12.500 1.00 0.00 H new ATOM 0 HG LEU A 185 22.666 -24.860 13.676 1.00 0.00 H new ATOM 0 HD11 LEU A 185 21.017 -25.627 11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 185 22.563 -25.169 11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 185 22.161 -26.887 11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.954 -26.555 14.250 1.00 0.00 H new ATOM 0 HD22 LEU A 185 22.070 -27.849 13.751 1.00 0.00 H new ATOM 0 HD23 LEU A 185 22.464 -26.825 15.152 1.00 0.00 H new ATOM 298 N THR A 186 26.942 -24.988 14.208 1.00 0.00 N ATOM 299 CA THR A 186 28.404 -24.746 13.954 1.00 0.00 C ATOM 300 C THR A 186 29.232 -25.100 15.188 1.00 0.00 C ATOM 301 O THR A 186 30.259 -25.777 15.079 1.00 0.00 O ATOM 302 CB THR A 186 28.636 -23.275 13.576 1.00 0.00 C ATOM 303 OG1 THR A 186 27.581 -22.837 12.733 1.00 0.00 O ATOM 304 CG2 THR A 186 29.973 -23.124 12.835 1.00 0.00 C ATOM 0 H THR A 186 26.383 -24.148 14.356 1.00 0.00 H new ATOM 0 HA THR A 186 28.720 -25.384 13.129 1.00 0.00 H new ATOM 0 HB THR A 186 28.662 -22.673 14.484 1.00 0.00 H new ATOM 0 HG1 THR A 186 27.724 -21.898 12.491 1.00 0.00 H new ATOM 0 HG21 THR A 186 30.127 -22.077 12.572 1.00 0.00 H new ATOM 0 HG22 THR A 186 30.786 -23.460 13.479 1.00 0.00 H new ATOM 0 HG23 THR A 186 29.956 -23.728 11.927 1.00 0.00 H new ATOM 312 N ILE A 187 28.816 -24.643 16.346 1.00 0.00 N ATOM 313 CA ILE A 187 29.580 -24.923 17.608 1.00 0.00 C ATOM 314 C ILE A 187 29.512 -26.418 17.934 1.00 0.00 C ATOM 315 O ILE A 187 30.529 -27.026 18.283 1.00 0.00 O ATOM 316 CB ILE A 187 29.006 -24.098 18.779 1.00 0.00 C ATOM 317 CG1 ILE A 187 29.000 -22.599 18.417 1.00 0.00 C ATOM 318 CG2 ILE A 187 29.868 -24.306 20.035 1.00 0.00 C ATOM 319 CD1 ILE A 187 28.054 -21.839 19.351 1.00 0.00 C ATOM 0 H ILE A 187 27.973 -24.083 16.473 1.00 0.00 H new ATOM 0 HA ILE A 187 30.621 -24.636 17.460 1.00 0.00 H new ATOM 0 HB ILE A 187 27.986 -24.430 18.973 1.00 0.00 H new ATOM 0 HG12 ILE A 187 30.008 -22.193 18.498 1.00 0.00 H new ATOM 0 HG13 ILE A 187 28.685 -22.468 17.382 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.458 -23.721 20.859 1.00 0.00 H new ATOM 0 HG22 ILE A 187 29.869 -25.362 20.305 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.889 -23.982 19.833 1.00 0.00 H new ATOM 0 HD11 ILE A 187 28.056 -20.781 19.088 1.00 0.00 H new ATOM 0 HD12 ILE A 187 27.044 -22.237 19.248 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.388 -21.958 20.382 1.00 0.00 H new ATOM 331 N TRP A 188 28.340 -27.010 17.850 1.00 0.00 N ATOM 332 CA TRP A 188 28.190 -28.466 18.177 1.00 0.00 C ATOM 333 C TRP A 188 29.066 -29.313 17.252 1.00 0.00 C ATOM 334 O TRP A 188 29.499 -30.405 17.637 1.00 0.00 O ATOM 335 CB TRP A 188 26.726 -28.900 18.044 1.00 0.00 C ATOM 336 CG TRP A 188 26.536 -30.244 18.674 1.00 0.00 C ATOM 337 CD1 TRP A 188 26.070 -30.451 19.928 1.00 0.00 C ATOM 338 CD2 TRP A 188 26.793 -31.564 18.109 1.00 0.00 C ATOM 339 NE1 TRP A 188 26.025 -31.812 20.169 1.00 0.00 N ATOM 340 CE2 TRP A 188 26.460 -32.540 19.080 1.00 0.00 C ATOM 341 CE3 TRP A 188 27.278 -32.006 16.864 1.00 0.00 C ATOM 342 CZ2 TRP A 188 26.603 -33.904 18.824 1.00 0.00 C ATOM 343 CZ3 TRP A 188 27.423 -33.379 16.604 1.00 0.00 C ATOM 344 CH2 TRP A 188 27.086 -34.326 17.582 1.00 0.00 C ATOM 0 H TRP A 188 27.478 -26.544 17.568 1.00 0.00 H new ATOM 0 HA TRP A 188 28.510 -28.618 19.208 1.00 0.00 H new ATOM 0 HB2 TRP A 188 26.075 -28.168 18.523 1.00 0.00 H new ATOM 0 HB3 TRP A 188 26.443 -28.938 16.992 1.00 0.00 H new ATOM 0 HD1 TRP A 188 25.781 -29.679 20.626 1.00 0.00 H new ATOM 0 HE1 TRP A 188 25.709 -32.227 21.045 1.00 0.00 H new ATOM 0 HE3 TRP A 188 27.540 -31.285 16.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 26.342 -34.629 19.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 27.796 -33.707 15.645 1.00 0.00 H new ATOM 0 HH2 TRP A 188 27.200 -35.380 17.376 1.00 0.00 H new ATOM 517 N THR B 172 15.021 -5.595 15.696 1.00 0.00 N ATOM 518 CA THR B 172 14.874 -6.936 15.042 1.00 0.00 C ATOM 519 C THR B 172 16.254 -7.558 14.821 1.00 0.00 C ATOM 520 O THR B 172 16.477 -8.723 15.166 1.00 0.00 O ATOM 521 CB THR B 172 14.123 -6.810 13.703 1.00 0.00 C ATOM 522 OG1 THR B 172 14.065 -8.083 13.077 1.00 0.00 O ATOM 523 CG2 THR B 172 14.836 -5.819 12.772 1.00 0.00 C ATOM 0 HA THR B 172 14.292 -7.583 15.698 1.00 0.00 H new ATOM 0 HB THR B 172 13.116 -6.442 13.900 1.00 0.00 H new ATOM 0 HG1 THR B 172 13.586 -8.007 12.225 1.00 0.00 H new ATOM 0 HG21 THR B 172 14.289 -5.745 11.832 1.00 0.00 H new ATOM 0 HG22 THR B 172 14.876 -4.839 13.247 1.00 0.00 H new ATOM 0 HG23 THR B 172 15.849 -6.169 12.576 1.00 0.00 H new ATOM 531 N VAL B 173 17.182 -6.808 14.267 1.00 0.00 N ATOM 532 CA VAL B 173 18.560 -7.347 14.034 1.00 0.00 C ATOM 533 C VAL B 173 19.259 -7.559 15.377 1.00 0.00 C ATOM 534 O VAL B 173 19.989 -8.538 15.557 1.00 0.00 O ATOM 535 CB VAL B 173 19.386 -6.402 13.143 1.00 0.00 C ATOM 536 CG1 VAL B 173 18.761 -6.349 11.747 1.00 0.00 C ATOM 537 CG2 VAL B 173 19.415 -4.987 13.733 1.00 0.00 C ATOM 0 H VAL B 173 17.042 -5.844 13.966 1.00 0.00 H new ATOM 0 HA VAL B 173 18.476 -8.301 13.514 1.00 0.00 H new ATOM 0 HB VAL B 173 20.407 -6.781 13.086 1.00 0.00 H new ATOM 0 HG11 VAL B 173 19.343 -5.681 11.113 1.00 0.00 H new ATOM 0 HG12 VAL B 173 18.756 -7.349 11.312 1.00 0.00 H new ATOM 0 HG13 VAL B 173 17.738 -5.980 11.820 1.00 0.00 H new ATOM 0 HG21 VAL B 173 20.004 -4.336 13.087 1.00 0.00 H new ATOM 0 HG22 VAL B 173 18.398 -4.602 13.806 1.00 0.00 H new ATOM 0 HG23 VAL B 173 19.864 -5.016 14.726 1.00 0.00 H new ATOM 547 N THR B 174 19.055 -6.656 16.312 1.00 0.00 N ATOM 548 CA THR B 174 19.706 -6.764 17.655 1.00 0.00 C ATOM 549 C THR B 174 19.197 -7.994 18.405 1.00 0.00 C ATOM 550 O THR B 174 19.980 -8.684 19.064 1.00 0.00 O ATOM 551 CB THR B 174 19.417 -5.504 18.476 1.00 0.00 C ATOM 552 OG1 THR B 174 19.667 -4.355 17.679 1.00 0.00 O ATOM 553 CG2 THR B 174 20.318 -5.474 19.712 1.00 0.00 C ATOM 0 H THR B 174 18.456 -5.839 16.196 1.00 0.00 H new ATOM 0 HA THR B 174 20.782 -6.865 17.509 1.00 0.00 H new ATOM 0 HB THR B 174 18.374 -5.510 18.792 1.00 0.00 H new ATOM 0 HG1 THR B 174 19.481 -3.547 18.202 1.00 0.00 H new ATOM 0 HG21 THR B 174 20.109 -4.576 20.293 1.00 0.00 H new ATOM 0 HG22 THR B 174 20.125 -6.355 20.324 1.00 0.00 H new ATOM 0 HG23 THR B 174 21.363 -5.470 19.401 1.00 0.00 H new ATOM 561 N ILE B 175 17.910 -8.269 18.343 1.00 0.00 N ATOM 562 CA ILE B 175 17.347 -9.446 19.080 1.00 0.00 C ATOM 563 C ILE B 175 17.958 -10.740 18.517 1.00 0.00 C ATOM 564 O ILE B 175 18.318 -11.646 19.277 1.00 0.00 O ATOM 565 CB ILE B 175 15.779 -9.419 18.999 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.172 -9.955 20.312 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.230 -10.253 17.819 1.00 0.00 C ATOM 568 CD1 ILE B 175 13.723 -9.475 20.456 1.00 0.00 C ATOM 0 H ILE B 175 17.228 -7.727 17.813 1.00 0.00 H new ATOM 0 HA ILE B 175 17.609 -9.401 20.137 1.00 0.00 H new ATOM 0 HB ILE B 175 15.492 -8.380 18.839 1.00 0.00 H new ATOM 0 HG12 ILE B 175 15.205 -11.044 20.319 1.00 0.00 H new ATOM 0 HG13 ILE B 175 15.763 -9.613 21.162 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.141 -10.199 17.811 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.620 -9.857 16.881 1.00 0.00 H new ATOM 0 HG23 ILE B 175 15.541 -11.292 17.932 1.00 0.00 H new ATOM 0 HD11 ILE B 175 13.303 -9.859 21.386 1.00 0.00 H new ATOM 0 HD12 ILE B 175 13.700 -8.385 20.470 1.00 0.00 H new ATOM 0 HD13 ILE B 175 13.134 -9.839 19.615 1.00 0.00 H new ATOM 580 N PHE B 176 18.067 -10.837 17.210 1.00 0.00 N ATOM 581 CA PHE B 176 18.639 -12.067 16.572 1.00 0.00 C ATOM 582 C PHE B 176 20.125 -12.190 16.918 1.00 0.00 C ATOM 583 O PHE B 176 20.599 -13.276 17.270 1.00 0.00 O ATOM 584 CB PHE B 176 18.474 -11.986 15.044 1.00 0.00 C ATOM 585 CG PHE B 176 18.442 -13.378 14.433 1.00 0.00 C ATOM 586 CD1 PHE B 176 19.580 -14.198 14.476 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.272 -13.843 13.820 1.00 0.00 C ATOM 588 CE1 PHE B 176 19.542 -15.478 13.908 1.00 0.00 C ATOM 589 CE2 PHE B 176 17.235 -15.123 13.253 1.00 0.00 C ATOM 590 CZ PHE B 176 18.370 -15.940 13.296 1.00 0.00 C ATOM 0 H PHE B 176 17.781 -10.110 16.554 1.00 0.00 H new ATOM 0 HA PHE B 176 18.108 -12.941 16.948 1.00 0.00 H new ATOM 0 HB2 PHE B 176 17.554 -11.455 14.800 1.00 0.00 H new ATOM 0 HB3 PHE B 176 19.296 -11.413 14.614 1.00 0.00 H new ATOM 0 HD1 PHE B 176 20.485 -13.842 14.947 1.00 0.00 H new ATOM 0 HD2 PHE B 176 16.396 -13.213 13.784 1.00 0.00 H new ATOM 0 HE1 PHE B 176 20.418 -16.109 13.942 1.00 0.00 H new ATOM 0 HE2 PHE B 176 16.330 -15.479 12.783 1.00 0.00 H new ATOM 0 HZ PHE B 176 18.342 -16.927 12.857 1.00 0.00 H new ATOM 600 N VAL B 177 20.866 -11.107 16.806 1.00 0.00 N ATOM 601 CA VAL B 177 22.336 -11.139 17.104 1.00 0.00 C ATOM 602 C VAL B 177 22.559 -11.403 18.597 1.00 0.00 C ATOM 603 O VAL B 177 23.475 -12.148 18.965 1.00 0.00 O ATOM 604 CB VAL B 177 22.995 -9.810 16.669 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.500 -9.831 16.971 1.00 0.00 C ATOM 606 CG2 VAL B 177 22.795 -9.609 15.160 1.00 0.00 C ATOM 0 H VAL B 177 20.510 -10.196 16.518 1.00 0.00 H new ATOM 0 HA VAL B 177 22.801 -11.947 16.540 1.00 0.00 H new ATOM 0 HB VAL B 177 22.530 -8.995 17.223 1.00 0.00 H new ATOM 0 HG11 VAL B 177 24.947 -8.887 16.658 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.654 -9.968 18.041 1.00 0.00 H new ATOM 0 HG13 VAL B 177 24.969 -10.652 16.428 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.260 -8.672 14.853 1.00 0.00 H new ATOM 0 HG22 VAL B 177 23.254 -10.436 14.619 1.00 0.00 H new ATOM 0 HG23 VAL B 177 21.729 -9.576 14.935 1.00 0.00 H new ATOM 616 N ALA B 178 21.757 -10.811 19.457 1.00 0.00 N ATOM 617 CA ALA B 178 21.927 -11.017 20.929 1.00 0.00 C ATOM 618 C ALA B 178 21.701 -12.485 21.271 1.00 0.00 C ATOM 619 O ALA B 178 22.387 -13.028 22.138 1.00 0.00 O ATOM 620 CB ALA B 178 20.934 -10.148 21.703 1.00 0.00 C ATOM 0 H ALA B 178 20.989 -10.192 19.197 1.00 0.00 H new ATOM 0 HA ALA B 178 22.940 -10.731 21.211 1.00 0.00 H new ATOM 0 HB1 ALA B 178 21.068 -10.307 22.773 1.00 0.00 H new ATOM 0 HB2 ALA B 178 21.109 -9.098 21.468 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.917 -10.419 21.421 1.00 0.00 H new ATOM 626 N GLY B 179 20.759 -13.134 20.622 1.00 0.00 N ATOM 627 CA GLY B 179 20.487 -14.576 20.916 1.00 0.00 C ATOM 628 C GLY B 179 21.675 -15.427 20.475 1.00 0.00 C ATOM 629 O GLY B 179 22.030 -16.399 21.152 1.00 0.00 O ATOM 0 H GLY B 179 20.167 -12.723 19.900 1.00 0.00 H new ATOM 0 HA2 GLY B 179 20.307 -14.711 21.982 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.584 -14.898 20.397 1.00 0.00 H new ATOM 633 N VAL B 180 22.291 -15.091 19.359 1.00 0.00 N ATOM 634 CA VAL B 180 23.463 -15.883 18.866 1.00 0.00 C ATOM 635 C VAL B 180 24.652 -15.642 19.801 1.00 0.00 C ATOM 636 O VAL B 180 25.351 -16.587 20.186 1.00 0.00 O ATOM 637 CB VAL B 180 23.824 -15.457 17.425 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.007 -16.288 16.904 1.00 0.00 C ATOM 639 CG2 VAL B 180 22.616 -15.674 16.505 1.00 0.00 C ATOM 0 H VAL B 180 22.029 -14.300 18.770 1.00 0.00 H new ATOM 0 HA VAL B 180 23.212 -16.944 18.858 1.00 0.00 H new ATOM 0 HB VAL B 180 24.101 -14.403 17.432 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.250 -15.977 15.888 1.00 0.00 H new ATOM 0 HG12 VAL B 180 25.872 -16.133 17.548 1.00 0.00 H new ATOM 0 HG13 VAL B 180 24.738 -17.344 16.906 1.00 0.00 H new ATOM 0 HG21 VAL B 180 22.873 -15.373 15.490 1.00 0.00 H new ATOM 0 HG22 VAL B 180 22.338 -16.728 16.512 1.00 0.00 H new ATOM 0 HG23 VAL B 180 21.777 -15.076 16.859 1.00 0.00 H new ATOM 649 N LEU B 181 24.889 -14.402 20.159 1.00 0.00 N ATOM 650 CA LEU B 181 26.035 -14.062 21.060 1.00 0.00 C ATOM 651 C LEU B 181 25.777 -14.626 22.456 1.00 0.00 C ATOM 652 O LEU B 181 26.673 -15.207 23.080 1.00 0.00 O ATOM 653 CB LEU B 181 26.174 -12.534 21.127 1.00 0.00 C ATOM 654 CG LEU B 181 27.594 -12.132 21.578 1.00 0.00 C ATOM 655 CD1 LEU B 181 27.920 -10.715 21.078 1.00 0.00 C ATOM 656 CD2 LEU B 181 27.677 -12.158 23.110 1.00 0.00 C ATOM 0 H LEU B 181 24.330 -13.602 19.861 1.00 0.00 H new ATOM 0 HA LEU B 181 26.956 -14.497 20.672 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.962 -12.102 20.149 1.00 0.00 H new ATOM 0 HB3 LEU B 181 25.438 -12.128 21.821 1.00 0.00 H new ATOM 0 HG LEU B 181 28.311 -12.838 21.160 1.00 0.00 H new ATOM 0 HD11 LEU B 181 28.924 -10.438 21.400 1.00 0.00 H new ATOM 0 HD12 LEU B 181 27.869 -10.693 19.989 1.00 0.00 H new ATOM 0 HD13 LEU B 181 27.199 -10.009 21.490 1.00 0.00 H new ATOM 0 HD21 LEU B 181 28.681 -11.874 23.425 1.00 0.00 H new ATOM 0 HD22 LEU B 181 26.954 -11.456 23.526 1.00 0.00 H new ATOM 0 HD23 LEU B 181 27.455 -13.163 23.469 1.00 0.00 H new ATOM 668 N THR B 182 24.570 -14.478 22.944 1.00 0.00 N ATOM 669 CA THR B 182 24.210 -14.996 24.302 1.00 0.00 C ATOM 670 C THR B 182 24.203 -16.520 24.281 1.00 0.00 C ATOM 671 O THR B 182 24.622 -17.159 25.253 1.00 0.00 O ATOM 672 CB THR B 182 22.832 -14.465 24.722 1.00 0.00 C ATOM 673 OG1 THR B 182 22.815 -13.050 24.596 1.00 0.00 O ATOM 674 CG2 THR B 182 22.541 -14.845 26.177 1.00 0.00 C ATOM 0 H THR B 182 23.807 -14.013 22.452 1.00 0.00 H new ATOM 0 HA THR B 182 24.949 -14.652 25.025 1.00 0.00 H new ATOM 0 HB THR B 182 22.070 -14.905 24.078 1.00 0.00 H new ATOM 0 HG1 THR B 182 22.863 -12.805 23.648 1.00 0.00 H new ATOM 0 HG21 THR B 182 21.561 -14.463 26.464 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.552 -15.930 26.279 1.00 0.00 H new ATOM 0 HG23 THR B 182 23.303 -14.412 26.825 1.00 0.00 H new ATOM 682 N ALA B 183 23.723 -17.110 23.208 1.00 0.00 N ATOM 683 CA ALA B 183 23.662 -18.600 23.121 1.00 0.00 C ATOM 684 C ALA B 183 25.052 -19.185 23.302 1.00 0.00 C ATOM 685 O ALA B 183 25.238 -20.084 24.120 1.00 0.00 O ATOM 686 CB ALA B 183 23.118 -19.028 21.760 1.00 0.00 C ATOM 0 H ALA B 183 23.370 -16.617 22.387 1.00 0.00 H new ATOM 0 HA ALA B 183 23.002 -18.966 23.907 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.079 -20.116 21.710 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.115 -18.622 21.625 1.00 0.00 H new ATOM 0 HB3 ALA B 183 23.771 -18.652 20.972 1.00 0.00 H new ATOM 692 N SER B 184 26.029 -18.689 22.568 1.00 0.00 N ATOM 693 CA SER B 184 27.427 -19.217 22.685 1.00 0.00 C ATOM 694 C SER B 184 27.852 -19.223 24.149 1.00 0.00 C ATOM 695 O SER B 184 28.422 -20.203 24.639 1.00 0.00 O ATOM 696 CB SER B 184 28.386 -18.341 21.878 1.00 0.00 C ATOM 697 OG SER B 184 28.303 -18.700 20.505 1.00 0.00 O ATOM 0 H SER B 184 25.913 -17.936 21.890 1.00 0.00 H new ATOM 0 HA SER B 184 27.456 -20.234 22.294 1.00 0.00 H new ATOM 0 HB2 SER B 184 28.133 -17.289 22.007 1.00 0.00 H new ATOM 0 HB3 SER B 184 29.406 -18.470 22.239 1.00 0.00 H new ATOM 0 HG SER B 184 28.915 -18.140 19.983 1.00 0.00 H new ATOM 703 N LEU B 185 27.588 -18.145 24.842 1.00 0.00 N ATOM 704 CA LEU B 185 27.969 -18.037 26.287 1.00 0.00 C ATOM 705 C LEU B 185 27.206 -19.067 27.126 1.00 0.00 C ATOM 706 O LEU B 185 27.766 -19.641 28.066 1.00 0.00 O ATOM 707 CB LEU B 185 27.695 -16.616 26.834 1.00 0.00 C ATOM 708 CG LEU B 185 28.290 -15.539 25.908 1.00 0.00 C ATOM 709 CD1 LEU B 185 27.824 -14.157 26.367 1.00 0.00 C ATOM 710 CD2 LEU B 185 29.819 -15.592 25.945 1.00 0.00 C ATOM 0 H LEU B 185 27.118 -17.322 24.464 1.00 0.00 H new ATOM 0 HA LEU B 185 29.038 -18.237 26.360 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.620 -16.462 26.932 1.00 0.00 H new ATOM 0 HB3 LEU B 185 28.123 -16.519 27.832 1.00 0.00 H new ATOM 0 HG LEU B 185 27.951 -15.726 24.889 1.00 0.00 H new ATOM 0 HD11 LEU B 185 28.245 -13.395 25.712 1.00 0.00 H new ATOM 0 HD12 LEU B 185 26.736 -14.108 26.328 1.00 0.00 H new ATOM 0 HD13 LEU B 185 28.158 -13.981 27.389 1.00 0.00 H new ATOM 0 HD21 LEU B 185 30.226 -14.825 25.286 1.00 0.00 H new ATOM 0 HD22 LEU B 185 30.165 -15.415 26.964 1.00 0.00 H new ATOM 0 HD23 LEU B 185 30.157 -16.573 25.612 1.00 0.00 H new ATOM 722 N THR B 186 25.935 -19.273 26.843 1.00 0.00 N ATOM 723 CA THR B 186 25.105 -20.223 27.660 1.00 0.00 C ATOM 724 C THR B 186 25.494 -21.683 27.430 1.00 0.00 C ATOM 725 O THR B 186 25.635 -22.438 28.400 1.00 0.00 O ATOM 726 CB THR B 186 23.627 -20.049 27.309 1.00 0.00 C ATOM 727 OG1 THR B 186 23.462 -20.140 25.900 1.00 0.00 O ATOM 728 CG2 THR B 186 23.143 -18.686 27.792 1.00 0.00 C ATOM 0 H THR B 186 25.436 -18.821 26.077 1.00 0.00 H new ATOM 0 HA THR B 186 25.286 -19.985 28.708 1.00 0.00 H new ATOM 0 HB THR B 186 23.044 -20.831 27.795 1.00 0.00 H new ATOM 0 HG1 THR B 186 24.340 -20.119 25.466 1.00 0.00 H new ATOM 0 HG21 THR B 186 22.089 -18.564 27.541 1.00 0.00 H new ATOM 0 HG22 THR B 186 23.269 -18.617 28.873 1.00 0.00 H new ATOM 0 HG23 THR B 186 23.724 -17.901 27.308 1.00 0.00 H new ATOM 736 N ILE B 187 25.638 -22.112 26.193 1.00 0.00 N ATOM 737 CA ILE B 187 25.979 -23.551 25.934 1.00 0.00 C ATOM 738 C ILE B 187 27.365 -23.871 26.426 1.00 0.00 C ATOM 739 O ILE B 187 27.598 -24.955 26.960 1.00 0.00 O ATOM 740 CB ILE B 187 25.890 -23.925 24.448 1.00 0.00 C ATOM 741 CG1 ILE B 187 26.644 -22.920 23.551 1.00 0.00 C ATOM 742 CG2 ILE B 187 24.429 -23.963 24.051 1.00 0.00 C ATOM 743 CD1 ILE B 187 26.803 -23.487 22.130 1.00 0.00 C ATOM 0 H ILE B 187 25.535 -21.533 25.360 1.00 0.00 H new ATOM 0 HA ILE B 187 25.239 -24.136 26.480 1.00 0.00 H new ATOM 0 HB ILE B 187 26.359 -24.899 24.308 1.00 0.00 H new ATOM 0 HG12 ILE B 187 26.100 -21.976 23.514 1.00 0.00 H new ATOM 0 HG13 ILE B 187 27.625 -22.707 23.977 1.00 0.00 H new ATOM 0 HG21 ILE B 187 24.345 -24.227 22.997 1.00 0.00 H new ATOM 0 HG22 ILE B 187 23.907 -24.706 24.654 1.00 0.00 H new ATOM 0 HG23 ILE B 187 23.982 -22.983 24.216 1.00 0.00 H new ATOM 0 HD11 ILE B 187 27.336 -22.768 21.509 1.00 0.00 H new ATOM 0 HD12 ILE B 187 27.367 -24.419 22.171 1.00 0.00 H new ATOM 0 HD13 ILE B 187 25.819 -23.677 21.702 1.00 0.00 H new ATOM 755 N TRP B 188 28.290 -22.980 26.222 1.00 0.00 N ATOM 756 CA TRP B 188 29.694 -23.247 26.642 1.00 0.00 C ATOM 757 C TRP B 188 29.736 -23.538 28.148 1.00 0.00 C ATOM 758 O TRP B 188 30.534 -24.364 28.603 1.00 0.00 O ATOM 759 CB TRP B 188 30.605 -22.035 26.306 1.00 0.00 C ATOM 760 CG TRP B 188 31.577 -22.331 25.182 1.00 0.00 C ATOM 761 CD1 TRP B 188 32.281 -23.483 25.011 1.00 0.00 C ATOM 762 CD2 TRP B 188 31.975 -21.454 24.087 1.00 0.00 C ATOM 763 NE1 TRP B 188 33.061 -23.369 23.875 1.00 0.00 N ATOM 764 CE2 TRP B 188 32.912 -22.136 23.274 1.00 0.00 C ATOM 765 CE3 TRP B 188 31.610 -20.145 23.721 1.00 0.00 C ATOM 766 CZ2 TRP B 188 33.466 -21.539 22.141 1.00 0.00 C ATOM 767 CZ3 TRP B 188 32.170 -19.541 22.584 1.00 0.00 C ATOM 768 CH2 TRP B 188 33.095 -20.237 21.795 1.00 0.00 C ATOM 0 H TRP B 188 28.136 -22.074 25.781 1.00 0.00 H new ATOM 0 HA TRP B 188 30.064 -24.115 26.097 1.00 0.00 H new ATOM 0 HB2 TRP B 188 29.983 -21.184 26.029 1.00 0.00 H new ATOM 0 HB3 TRP B 188 31.163 -21.746 27.197 1.00 0.00 H new ATOM 0 HD1 TRP B 188 32.237 -24.347 25.658 1.00 0.00 H new ATOM 0 HE1 TRP B 188 33.672 -24.106 23.524 1.00 0.00 H new ATOM 0 HE3 TRP B 188 30.894 -19.601 24.319 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 34.177 -22.080 21.535 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 31.886 -18.534 22.316 1.00 0.00 H new ATOM 0 HH2 TRP B 188 33.521 -19.768 20.920 1.00 0.00 H new ATOM 779 N LYS B 189 28.907 -22.870 28.920 1.00 0.00 N ATOM 780 CA LYS B 189 28.890 -23.083 30.402 1.00 0.00 C ATOM 781 C LYS B 189 28.422 -24.501 30.728 1.00 0.00 C ATOM 782 O LYS B 189 28.941 -25.132 31.655 1.00 0.00 O ATOM 783 CB LYS B 189 27.950 -22.072 31.065 1.00 0.00 C ATOM 784 CG LYS B 189 28.232 -22.010 32.568 1.00 0.00 C ATOM 785 CD LYS B 189 27.215 -21.088 33.244 1.00 0.00 C ATOM 786 CE LYS B 189 27.668 -20.784 34.673 1.00 0.00 C ATOM 787 NZ LYS B 189 27.665 -22.038 35.478 1.00 0.00 N ATOM 0 H LYS B 189 28.236 -22.180 28.581 1.00 0.00 H new ATOM 0 HA LYS B 189 29.901 -22.944 30.784 1.00 0.00 H new ATOM 0 HB2 LYS B 189 28.088 -21.087 30.619 1.00 0.00 H new ATOM 0 HB3 LYS B 189 26.913 -22.358 30.892 1.00 0.00 H new ATOM 0 HG2 LYS B 189 28.176 -23.009 33.000 1.00 0.00 H new ATOM 0 HG3 LYS B 189 29.243 -21.643 32.744 1.00 0.00 H new ATOM 0 HD2 LYS B 189 27.117 -20.162 32.678 1.00 0.00 H new ATOM 0 HD3 LYS B 189 26.233 -21.560 33.256 1.00 0.00 H new ATOM 0 HE2 LYS B 189 28.667 -20.349 34.663 1.00 0.00 H new ATOM 0 HE3 LYS B 189 27.004 -20.048 35.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 27.807 -21.806 36.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 26.753 -22.524 35.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 28.433 -22.660 35.154 1.00 0.00 H new ATOM 801 N LYS B 190 27.450 -25.007 30.000 1.00 0.00 N ATOM 802 CA LYS B 190 26.923 -26.389 30.270 1.00 0.00 C ATOM 803 C LYS B 190 27.669 -27.435 29.431 1.00 0.00 C ATOM 804 O LYS B 190 27.595 -28.632 29.729 1.00 0.00 O ATOM 805 CB LYS B 190 25.424 -26.452 29.940 1.00 0.00 C ATOM 806 CG LYS B 190 24.598 -25.921 31.119 1.00 0.00 C ATOM 807 CD LYS B 190 23.112 -26.183 30.860 1.00 0.00 C ATOM 808 CE LYS B 190 22.318 -25.973 32.154 1.00 0.00 C ATOM 809 NZ LYS B 190 22.184 -24.512 32.442 1.00 0.00 N ATOM 0 H LYS B 190 26.997 -24.520 29.227 1.00 0.00 H new ATOM 0 HA LYS B 190 27.079 -26.609 31.326 1.00 0.00 H new ATOM 0 HB2 LYS B 190 25.216 -25.863 29.047 1.00 0.00 H new ATOM 0 HB3 LYS B 190 25.136 -27.480 29.719 1.00 0.00 H new ATOM 0 HG2 LYS B 190 24.908 -26.408 32.043 1.00 0.00 H new ATOM 0 HG3 LYS B 190 24.773 -24.853 31.248 1.00 0.00 H new ATOM 0 HD2 LYS B 190 22.744 -25.512 30.083 1.00 0.00 H new ATOM 0 HD3 LYS B 190 22.970 -27.201 30.496 1.00 0.00 H new ATOM 0 HE2 LYS B 190 21.331 -26.426 32.062 1.00 0.00 H new ATOM 0 HE3 LYS B 190 22.821 -26.471 32.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 21.644 -24.380 33.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 23.129 -24.091 32.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 21.685 -24.048 31.656 1.00 0.00 H new ATOM 823 N MET B 191 28.371 -27.020 28.397 1.00 0.00 N ATOM 824 CA MET B 191 29.116 -27.991 27.532 1.00 0.00 C ATOM 825 C MET B 191 30.558 -28.132 28.038 1.00 0.00 C ATOM 826 O MET B 191 31.485 -28.368 27.252 1.00 0.00 O ATOM 827 CB MET B 191 29.107 -27.503 26.074 1.00 0.00 C ATOM 828 CG MET B 191 27.666 -27.422 25.552 1.00 0.00 C ATOM 829 SD MET B 191 27.143 -29.053 24.958 1.00 0.00 S ATOM 830 CE MET B 191 26.149 -28.491 23.553 1.00 0.00 C ATOM 0 H MET B 191 28.458 -26.043 28.116 1.00 0.00 H new ATOM 0 HA MET B 191 28.629 -28.965 27.578 1.00 0.00 H new ATOM 0 HB2 MET B 191 29.581 -26.524 26.007 1.00 0.00 H new ATOM 0 HB3 MET B 191 29.689 -28.182 25.452 1.00 0.00 H new ATOM 0 HG2 MET B 191 27.000 -27.081 26.345 1.00 0.00 H new ATOM 0 HG3 MET B 191 27.601 -26.692 24.745 1.00 0.00 H new ATOM 0 HE1 MET B 191 25.726 -29.354 23.038 1.00 0.00 H new ATOM 0 HE2 MET B 191 25.343 -27.851 23.911 1.00 0.00 H new ATOM 0 HE3 MET B 191 26.779 -27.930 22.863 1.00 0.00 H new