USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 208 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 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 280 MET CE :methyl 154:sc= -1.09 (180deg=-3.54!) USER MOD Single : A 285 SER OG : rot 72:sc= 0.987 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ -133:sc= -0.0454 (180deg=-0.621) USER MOD Single : A 296 LYS NZ :NH3+ -132:sc= -0.0142 (180deg=-0.267) USER MOD Single : A 298 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.00207) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 2.844 1.665 -3.282 1.00 0.00 N ATOM 161 CA ILE A 276 1.479 1.167 -2.954 1.00 0.00 C ATOM 162 C ILE A 276 0.845 2.035 -1.864 1.00 0.00 C ATOM 163 O ILE A 276 -0.311 2.401 -1.942 1.00 0.00 O ATOM 164 CB ILE A 276 1.690 -0.260 -2.446 1.00 0.00 C ATOM 165 CG1 ILE A 276 2.082 -1.164 -3.617 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.395 -0.775 -1.818 1.00 0.00 C ATOM 167 CD1 ILE A 276 2.606 -2.497 -3.079 1.00 0.00 C ATOM 0 HA ILE A 276 0.811 1.200 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 276 2.484 -0.266 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 276 1.221 -1.334 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 276 2.846 -0.679 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.546 -1.792 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.114 -0.131 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.399 -0.770 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 276 2.885 -3.141 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 276 3.478 -2.318 -2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 276 1.828 -2.983 -2.490 1.00 0.00 H new ATOM 179 N ARG A 277 1.594 2.367 -0.847 1.00 0.00 N ATOM 180 CA ARG A 277 1.034 3.212 0.247 1.00 0.00 C ATOM 181 C ARG A 277 0.209 4.358 -0.343 1.00 0.00 C ATOM 182 O ARG A 277 -0.983 4.451 -0.127 1.00 0.00 O ATOM 183 CB ARG A 277 2.253 3.755 0.992 1.00 0.00 C ATOM 184 CG ARG A 277 1.844 4.176 2.405 1.00 0.00 C ATOM 185 CD ARG A 277 2.408 3.177 3.418 1.00 0.00 C ATOM 186 NE ARG A 277 1.264 2.284 3.755 1.00 0.00 N ATOM 187 CZ ARG A 277 1.350 1.463 4.767 1.00 0.00 C ATOM 188 NH1 ARG A 277 2.436 1.423 5.491 1.00 0.00 N ATOM 189 NH2 ARG A 277 0.346 0.681 5.057 1.00 0.00 N ATOM 0 H ARG A 277 2.568 2.090 -0.726 1.00 0.00 H new ATOM 0 HA ARG A 277 0.372 2.651 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 277 3.032 2.994 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 277 2.671 4.606 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 277 2.217 5.178 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 277 0.758 4.216 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 277 3.239 2.612 2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 277 2.787 3.685 4.305 1.00 0.00 H new ATOM 0 HE ARG A 277 0.412 2.314 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 277 3.221 2.034 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 277 2.499 0.780 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -0.504 0.712 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 277 0.411 0.039 5.847 1.00 0.00 H new ATOM 203 N LYS A 278 0.834 5.231 -1.084 1.00 0.00 N ATOM 204 CA LYS A 278 0.087 6.370 -1.687 1.00 0.00 C ATOM 205 C LYS A 278 -1.259 5.889 -2.235 1.00 0.00 C ATOM 206 O LYS A 278 -2.308 6.293 -1.775 1.00 0.00 O ATOM 207 CB LYS A 278 0.980 6.873 -2.822 1.00 0.00 C ATOM 208 CG LYS A 278 2.341 7.283 -2.256 1.00 0.00 C ATOM 209 CD LYS A 278 3.452 6.559 -3.020 1.00 0.00 C ATOM 210 CE LYS A 278 3.392 6.948 -4.498 1.00 0.00 C ATOM 211 NZ LYS A 278 4.604 7.784 -4.725 1.00 0.00 N ATOM 0 H LYS A 278 1.831 5.204 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 278 -0.128 7.154 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 278 1.106 6.093 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 278 0.511 7.721 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 278 2.471 8.362 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 278 2.395 7.037 -1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 278 4.425 6.821 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 278 3.339 5.480 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 278 3.395 6.066 -5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 278 2.481 7.503 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 4.634 8.090 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 4.570 8.619 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 5.455 7.227 -4.509 1.00 0.00 H new ATOM 225 N GLN A 279 -1.237 5.026 -3.214 1.00 0.00 N ATOM 226 CA GLN A 279 -2.513 4.518 -3.788 1.00 0.00 C ATOM 227 C GLN A 279 -3.505 4.197 -2.668 1.00 0.00 C ATOM 228 O GLN A 279 -4.568 4.778 -2.581 1.00 0.00 O ATOM 229 CB GLN A 279 -2.130 3.248 -4.547 1.00 0.00 C ATOM 230 CG GLN A 279 -2.659 3.330 -5.980 1.00 0.00 C ATOM 231 CD GLN A 279 -1.524 3.738 -6.921 1.00 0.00 C ATOM 232 OE1 GLN A 279 -0.724 4.591 -6.592 1.00 0.00 O ATOM 233 NE2 GLN A 279 -1.420 3.160 -8.087 1.00 0.00 N ATOM 0 H GLN A 279 -0.390 4.651 -3.641 1.00 0.00 H new ATOM 0 HA GLN A 279 -2.994 5.250 -4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -1.047 3.129 -4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -2.543 2.373 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -3.068 2.366 -6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -3.472 4.054 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -2.092 2.444 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -0.667 3.425 -8.722 1.00 0.00 H new ATOM 242 N MET A 280 -3.165 3.275 -1.809 1.00 0.00 N ATOM 243 CA MET A 280 -4.090 2.918 -0.695 1.00 0.00 C ATOM 244 C MET A 280 -4.615 4.188 -0.022 1.00 0.00 C ATOM 245 O MET A 280 -5.804 4.440 0.006 1.00 0.00 O ATOM 246 CB MET A 280 -3.241 2.103 0.281 1.00 0.00 C ATOM 247 CG MET A 280 -3.271 0.629 -0.124 1.00 0.00 C ATOM 248 SD MET A 280 -1.880 -0.237 0.645 1.00 0.00 S ATOM 249 CE MET A 280 -2.071 0.457 2.306 1.00 0.00 C ATOM 0 H MET A 280 -2.288 2.754 -1.830 1.00 0.00 H new ATOM 0 HA MET A 280 -4.959 2.358 -1.041 1.00 0.00 H new ATOM 0 HB2 MET A 280 -2.215 2.470 0.281 1.00 0.00 H new ATOM 0 HB3 MET A 280 -3.621 2.220 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 280 -4.212 0.175 0.186 1.00 0.00 H new ATOM 0 HG3 MET A 280 -3.215 0.538 -1.209 1.00 0.00 H new ATOM 0 HE1 MET A 280 -1.655 -0.234 3.039 1.00 0.00 H new ATOM 0 HE2 MET A 280 -1.544 1.409 2.365 1.00 0.00 H new ATOM 0 HE3 MET A 280 -3.129 0.614 2.515 1.00 0.00 H new ATOM 259 N ASP A 281 -3.740 4.992 0.516 1.00 0.00 N ATOM 260 CA ASP A 281 -4.193 6.246 1.182 1.00 0.00 C ATOM 261 C ASP A 281 -5.261 6.933 0.327 1.00 0.00 C ATOM 262 O ASP A 281 -6.381 7.130 0.754 1.00 0.00 O ATOM 263 CB ASP A 281 -2.939 7.117 1.282 1.00 0.00 C ATOM 264 CG ASP A 281 -2.922 7.835 2.632 1.00 0.00 C ATOM 265 OD1 ASP A 281 -3.968 8.311 3.042 1.00 0.00 O ATOM 266 OD2 ASP A 281 -1.863 7.896 3.235 1.00 0.00 O ATOM 0 H ASP A 281 -2.732 4.835 0.523 1.00 0.00 H new ATOM 0 HA ASP A 281 -4.636 6.062 2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -2.046 6.501 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -2.923 7.845 0.471 1.00 0.00 H new ATOM 271 N ALA A 282 -4.924 7.298 -0.879 1.00 0.00 N ATOM 272 CA ALA A 282 -5.917 7.968 -1.761 1.00 0.00 C ATOM 273 C ALA A 282 -7.228 7.177 -1.782 1.00 0.00 C ATOM 274 O ALA A 282 -8.247 7.630 -1.300 1.00 0.00 O ATOM 275 CB ALA A 282 -5.273 7.975 -3.148 1.00 0.00 C ATOM 0 H ALA A 282 -4.001 7.160 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 282 -6.160 8.974 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -5.946 8.454 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -4.333 8.525 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -5.081 6.950 -3.465 1.00 0.00 H new ATOM 281 N ALA A 283 -7.208 5.998 -2.342 1.00 0.00 N ATOM 282 CA ALA A 283 -8.450 5.174 -2.403 1.00 0.00 C ATOM 283 C ALA A 283 -9.024 4.964 -0.999 1.00 0.00 C ATOM 284 O ALA A 283 -10.183 4.637 -0.836 1.00 0.00 O ATOM 285 CB ALA A 283 -8.007 3.840 -3.003 1.00 0.00 C ATOM 0 H ALA A 283 -6.383 5.569 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 283 -9.231 5.652 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -8.866 3.174 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -7.586 4.009 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -7.253 3.385 -2.361 1.00 0.00 H new ATOM 291 N ALA A 284 -8.225 5.143 0.016 1.00 0.00 N ATOM 292 CA ALA A 284 -8.732 4.944 1.404 1.00 0.00 C ATOM 293 C ALA A 284 -9.675 6.085 1.803 1.00 0.00 C ATOM 294 O ALA A 284 -10.878 5.921 1.839 1.00 0.00 O ATOM 295 CB ALA A 284 -7.482 4.936 2.288 1.00 0.00 C ATOM 0 H ALA A 284 -7.245 5.418 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 284 -9.304 4.022 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -7.773 4.794 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -6.824 4.123 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -6.957 5.886 2.185 1.00 0.00 H new ATOM 301 N SER A 285 -9.143 7.239 2.107 1.00 0.00 N ATOM 302 CA SER A 285 -10.015 8.379 2.507 1.00 0.00 C ATOM 303 C SER A 285 -10.517 9.133 1.272 1.00 0.00 C ATOM 304 O SER A 285 -10.527 10.347 1.239 1.00 0.00 O ATOM 305 CB SER A 285 -9.122 9.280 3.359 1.00 0.00 C ATOM 306 OG SER A 285 -8.549 10.287 2.535 1.00 0.00 O ATOM 0 H SER A 285 -8.143 7.440 2.095 1.00 0.00 H new ATOM 0 HA SER A 285 -10.899 8.046 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 285 -9.704 9.737 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 285 -8.337 8.691 3.832 1.00 0.00 H new ATOM 0 HG SER A 285 -9.238 10.938 2.287 1.00 0.00 H new ATOM 312 N LYS A 286 -10.935 8.427 0.258 1.00 0.00 N ATOM 313 CA LYS A 286 -11.436 9.111 -0.966 1.00 0.00 C ATOM 314 C LYS A 286 -12.825 8.587 -1.337 1.00 0.00 C ATOM 315 O LYS A 286 -13.465 9.084 -2.243 1.00 0.00 O ATOM 316 CB LYS A 286 -10.423 8.770 -2.059 1.00 0.00 C ATOM 317 CG LYS A 286 -10.970 9.212 -3.418 1.00 0.00 C ATOM 318 CD LYS A 286 -11.437 7.986 -4.205 1.00 0.00 C ATOM 319 CE LYS A 286 -11.837 8.409 -5.620 1.00 0.00 C ATOM 320 NZ LYS A 286 -12.599 7.251 -6.166 1.00 0.00 N ATOM 0 H LYS A 286 -10.951 7.408 0.224 1.00 0.00 H new ATOM 0 HA LYS A 286 -11.532 10.187 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -9.474 9.267 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -10.226 7.698 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -11.799 9.906 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -10.199 9.744 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -10.640 7.243 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -12.283 7.518 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -12.448 9.312 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -10.960 8.628 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -12.908 7.465 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -11.990 6.408 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -13.431 7.071 -5.569 1.00 0.00 H new ATOM 334 N GLY A 287 -13.297 7.587 -0.645 1.00 0.00 N ATOM 335 CA GLY A 287 -14.644 7.034 -0.960 1.00 0.00 C ATOM 336 C GLY A 287 -14.500 5.598 -1.464 1.00 0.00 C ATOM 337 O GLY A 287 -15.188 4.701 -1.019 1.00 0.00 O ATOM 0 H GLY A 287 -12.808 7.129 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.275 7.057 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -15.134 7.649 -1.715 1.00 0.00 H new ATOM 341 N ASP A 288 -13.608 5.372 -2.389 1.00 0.00 N ATOM 342 CA ASP A 288 -13.419 3.993 -2.920 1.00 0.00 C ATOM 343 C ASP A 288 -12.564 3.174 -1.952 1.00 0.00 C ATOM 344 O ASP A 288 -11.546 2.621 -2.321 1.00 0.00 O ATOM 345 CB ASP A 288 -12.695 4.177 -4.254 1.00 0.00 C ATOM 346 CG ASP A 288 -12.359 2.807 -4.845 1.00 0.00 C ATOM 347 OD1 ASP A 288 -13.262 2.168 -5.361 1.00 0.00 O ATOM 348 OD2 ASP A 288 -11.204 2.419 -4.772 1.00 0.00 O ATOM 0 H ASP A 288 -13.002 6.082 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 288 -14.363 3.461 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -13.322 4.739 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -11.783 4.756 -4.108 1.00 0.00 H new ATOM 353 N VAL A 289 -12.969 3.093 -0.714 1.00 0.00 N ATOM 354 CA VAL A 289 -12.179 2.310 0.279 1.00 0.00 C ATOM 355 C VAL A 289 -12.104 0.842 -0.145 1.00 0.00 C ATOM 356 O VAL A 289 -11.311 0.078 0.369 1.00 0.00 O ATOM 357 CB VAL A 289 -12.943 2.453 1.596 1.00 0.00 C ATOM 358 CG1 VAL A 289 -12.065 1.969 2.751 1.00 0.00 C ATOM 359 CG2 VAL A 289 -13.307 3.923 1.817 1.00 0.00 C ATOM 0 H VAL A 289 -13.812 3.535 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 289 -11.153 2.667 0.365 1.00 0.00 H new ATOM 0 HB VAL A 289 -13.853 1.854 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -12.610 2.071 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -11.803 0.922 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -11.155 2.568 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -13.852 4.026 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -12.397 4.521 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -13.932 4.271 0.995 1.00 0.00 H new ATOM 369 N GLU A 290 -12.918 0.441 -1.083 1.00 0.00 N ATOM 370 CA GLU A 290 -12.885 -0.973 -1.540 1.00 0.00 C ATOM 371 C GLU A 290 -11.435 -1.422 -1.722 1.00 0.00 C ATOM 372 O GLU A 290 -10.920 -2.219 -0.964 1.00 0.00 O ATOM 373 CB GLU A 290 -13.623 -0.969 -2.878 1.00 0.00 C ATOM 374 CG GLU A 290 -13.988 -2.403 -3.268 1.00 0.00 C ATOM 375 CD GLU A 290 -15.510 -2.557 -3.279 1.00 0.00 C ATOM 376 OE1 GLU A 290 -16.068 -2.805 -2.223 1.00 0.00 O ATOM 377 OE2 GLU A 290 -16.091 -2.425 -4.343 1.00 0.00 O ATOM 0 H GLU A 290 -13.604 1.033 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 290 -13.345 -1.658 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -14.524 -0.361 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -12.997 -0.520 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -13.581 -2.639 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -13.546 -3.107 -2.563 1.00 0.00 H new ATOM 384 N THR A 291 -10.772 -0.909 -2.721 1.00 0.00 N ATOM 385 CA THR A 291 -9.355 -1.296 -2.953 1.00 0.00 C ATOM 386 C THR A 291 -8.555 -1.148 -1.657 1.00 0.00 C ATOM 387 O THR A 291 -7.779 -2.008 -1.291 1.00 0.00 O ATOM 388 CB THR A 291 -8.847 -0.319 -4.015 1.00 0.00 C ATOM 389 OG1 THR A 291 -9.360 -0.696 -5.285 1.00 0.00 O ATOM 390 CG2 THR A 291 -7.318 -0.349 -4.051 1.00 0.00 C ATOM 0 H THR A 291 -11.153 -0.237 -3.387 1.00 0.00 H new ATOM 0 HA THR A 291 -9.253 -2.333 -3.274 1.00 0.00 H new ATOM 0 HB THR A 291 -9.181 0.689 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 291 -9.037 -0.071 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 291 -6.958 0.348 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 291 -6.925 -0.060 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 291 -6.979 -1.356 -4.294 1.00 0.00 H new ATOM 398 N TYR A 292 -8.741 -0.060 -0.959 1.00 0.00 N ATOM 399 CA TYR A 292 -7.995 0.147 0.315 1.00 0.00 C ATOM 400 C TYR A 292 -8.039 -1.127 1.162 1.00 0.00 C ATOM 401 O TYR A 292 -7.036 -1.778 1.373 1.00 0.00 O ATOM 402 CB TYR A 292 -8.727 1.289 1.020 1.00 0.00 C ATOM 403 CG TYR A 292 -7.894 1.790 2.175 1.00 0.00 C ATOM 404 CD1 TYR A 292 -6.510 1.945 2.028 1.00 0.00 C ATOM 405 CD2 TYR A 292 -8.507 2.103 3.395 1.00 0.00 C ATOM 406 CE1 TYR A 292 -5.740 2.412 3.099 1.00 0.00 C ATOM 407 CE2 TYR A 292 -7.736 2.570 4.466 1.00 0.00 C ATOM 408 CZ TYR A 292 -6.353 2.725 4.319 1.00 0.00 C ATOM 409 OH TYR A 292 -5.593 3.185 5.375 1.00 0.00 O ATOM 0 H TYR A 292 -9.378 0.694 -1.216 1.00 0.00 H new ATOM 0 HA TYR A 292 -6.944 0.381 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -8.918 2.100 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -9.696 0.945 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -6.037 1.704 1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -9.574 1.984 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -4.673 2.531 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -8.209 2.811 5.407 1.00 0.00 H new ATOM 0 HH TYR A 292 -6.173 3.356 6.146 1.00 0.00 H new ATOM 419 N ARG A 293 -9.197 -1.487 1.648 1.00 0.00 N ATOM 420 CA ARG A 293 -9.306 -2.718 2.479 1.00 0.00 C ATOM 421 C ARG A 293 -8.474 -3.846 1.861 1.00 0.00 C ATOM 422 O ARG A 293 -7.474 -4.265 2.410 1.00 0.00 O ATOM 423 CB ARG A 293 -10.793 -3.076 2.465 1.00 0.00 C ATOM 424 CG ARG A 293 -11.008 -4.398 3.203 1.00 0.00 C ATOM 425 CD ARG A 293 -12.484 -4.539 3.582 1.00 0.00 C ATOM 426 NE ARG A 293 -12.489 -4.680 5.065 1.00 0.00 N ATOM 427 CZ ARG A 293 -13.598 -4.515 5.737 1.00 0.00 C ATOM 428 NH1 ARG A 293 -14.707 -4.227 5.111 1.00 0.00 N ATOM 429 NH2 ARG A 293 -13.597 -4.640 7.036 1.00 0.00 N ATOM 0 H ARG A 293 -10.071 -0.981 1.505 1.00 0.00 H new ATOM 0 HA ARG A 293 -8.934 -2.568 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -11.373 -2.284 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -11.148 -3.159 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -10.703 -5.233 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -10.387 -4.432 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -13.058 -3.668 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -12.934 -5.408 3.101 1.00 0.00 H new ATOM 0 HE ARG A 293 -11.625 -4.906 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -14.709 -4.130 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -15.571 -4.099 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -12.731 -4.866 7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -14.462 -4.511 7.561 1.00 0.00 H new ATOM 443 N LYS A 294 -8.878 -4.338 0.721 1.00 0.00 N ATOM 444 CA LYS A 294 -8.110 -5.434 0.068 1.00 0.00 C ATOM 445 C LYS A 294 -6.609 -5.136 0.130 1.00 0.00 C ATOM 446 O LYS A 294 -5.864 -5.786 0.838 1.00 0.00 O ATOM 447 CB LYS A 294 -8.595 -5.448 -1.382 1.00 0.00 C ATOM 448 CG LYS A 294 -9.628 -6.561 -1.567 1.00 0.00 C ATOM 449 CD LYS A 294 -9.493 -7.155 -2.971 1.00 0.00 C ATOM 450 CE LYS A 294 -10.549 -8.245 -3.170 1.00 0.00 C ATOM 451 NZ LYS A 294 -10.108 -9.370 -2.299 1.00 0.00 N ATOM 0 H LYS A 294 -9.707 -4.028 0.214 1.00 0.00 H new ATOM 0 HA LYS A 294 -8.264 -6.396 0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -9.034 -4.484 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -7.753 -5.604 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -9.480 -7.337 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -10.634 -6.166 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -9.616 -6.374 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -8.495 -7.572 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -11.540 -7.891 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -10.607 -8.553 -4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -10.153 -10.261 -2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -9.130 -9.204 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -10.732 -9.432 -1.469 1.00 0.00 H new ATOM 465 N LEU A 295 -6.160 -4.155 -0.608 1.00 0.00 N ATOM 466 CA LEU A 295 -4.711 -3.810 -0.595 1.00 0.00 C ATOM 467 C LEU A 295 -4.170 -3.855 0.836 1.00 0.00 C ATOM 468 O LEU A 295 -3.206 -4.536 1.124 1.00 0.00 O ATOM 469 CB LEU A 295 -4.638 -2.387 -1.150 1.00 0.00 C ATOM 470 CG LEU A 295 -3.900 -2.397 -2.489 1.00 0.00 C ATOM 471 CD1 LEU A 295 -4.615 -3.338 -3.461 1.00 0.00 C ATOM 472 CD2 LEU A 295 -3.883 -0.982 -3.071 1.00 0.00 C ATOM 0 H LEU A 295 -6.737 -3.578 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 295 -4.115 -4.508 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -5.643 -1.984 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -4.122 -1.736 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 295 -2.877 -2.742 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -4.088 -3.344 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -4.629 -4.346 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -5.638 -2.994 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -3.357 -0.988 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -4.906 -0.639 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -3.373 -0.310 -2.380 1.00 0.00 H new ATOM 484 N LYS A 296 -4.785 -3.133 1.734 1.00 0.00 N ATOM 485 CA LYS A 296 -4.309 -3.132 3.146 1.00 0.00 C ATOM 486 C LYS A 296 -3.946 -4.553 3.582 1.00 0.00 C ATOM 487 O LYS A 296 -2.802 -4.851 3.864 1.00 0.00 O ATOM 488 CB LYS A 296 -5.491 -2.607 3.961 1.00 0.00 C ATOM 489 CG LYS A 296 -5.206 -1.173 4.410 1.00 0.00 C ATOM 490 CD LYS A 296 -5.770 -0.957 5.815 1.00 0.00 C ATOM 491 CE LYS A 296 -4.699 -1.297 6.854 1.00 0.00 C ATOM 492 NZ LYS A 296 -3.794 -0.115 6.873 1.00 0.00 N ATOM 0 H LYS A 296 -5.597 -2.544 1.550 1.00 0.00 H new ATOM 0 HA LYS A 296 -3.417 -2.521 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -6.401 -2.637 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -5.659 -3.244 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -4.132 -0.986 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -5.656 -0.466 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -6.091 0.078 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -6.649 -1.583 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -5.141 -1.471 7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -4.159 -2.204 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -2.806 -0.434 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -4.008 0.499 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -3.935 0.416 7.756 1.00 0.00 H new ATOM 506 N ALA A 297 -4.910 -5.431 3.639 1.00 0.00 N ATOM 507 CA ALA A 297 -4.622 -6.831 4.055 1.00 0.00 C ATOM 508 C ALA A 297 -3.329 -7.318 3.397 1.00 0.00 C ATOM 509 O ALA A 297 -2.373 -7.663 4.063 1.00 0.00 O ATOM 510 CB ALA A 297 -5.816 -7.646 3.559 1.00 0.00 C ATOM 0 H ALA A 297 -5.886 -5.238 3.415 1.00 0.00 H new ATOM 0 HA ALA A 297 -4.487 -6.924 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -5.679 -8.693 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -6.730 -7.270 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -5.893 -7.557 2.475 1.00 0.00 H new ATOM 516 N LYS A 298 -3.292 -7.348 2.092 1.00 0.00 N ATOM 517 CA LYS A 298 -2.063 -7.811 1.393 1.00 0.00 C ATOM 518 C LYS A 298 -0.830 -7.114 1.976 1.00 0.00 C ATOM 519 O LYS A 298 0.025 -7.739 2.572 1.00 0.00 O ATOM 520 CB LYS A 298 -2.263 -7.413 -0.069 1.00 0.00 C ATOM 521 CG LYS A 298 -2.156 -8.655 -0.956 1.00 0.00 C ATOM 522 CD LYS A 298 -2.159 -8.235 -2.427 1.00 0.00 C ATOM 523 CE LYS A 298 -3.577 -7.840 -2.844 1.00 0.00 C ATOM 524 NZ LYS A 298 -4.224 -9.116 -3.259 1.00 0.00 N ATOM 0 H LYS A 298 -4.061 -7.071 1.481 1.00 0.00 H new ATOM 0 HA LYS A 298 -1.904 -8.884 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -3.238 -6.943 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -1.514 -6.678 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -1.242 -9.202 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -2.989 -9.329 -0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -1.478 -7.398 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -1.800 -9.054 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -4.116 -7.374 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -3.562 -7.120 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -5.256 -9.027 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -3.980 -9.323 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -3.888 -9.890 -2.651 1.00 0.00 H new ATOM 538 N LEU A 299 -0.731 -5.823 1.805 1.00 0.00 N ATOM 539 CA LEU A 299 0.444 -5.087 2.346 1.00 0.00 C ATOM 540 C LEU A 299 0.751 -5.550 3.772 1.00 0.00 C ATOM 541 O LEU A 299 1.879 -5.505 4.221 1.00 0.00 O ATOM 542 CB LEU A 299 0.029 -3.615 2.336 1.00 0.00 C ATOM 543 CG LEU A 299 1.226 -2.749 1.940 1.00 0.00 C ATOM 544 CD1 LEU A 299 1.380 -2.756 0.418 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.997 -1.315 2.421 1.00 0.00 C ATOM 0 H LEU A 299 -1.415 -5.247 1.313 1.00 0.00 H new ATOM 0 HA LEU A 299 1.345 -5.260 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -0.791 -3.462 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.335 -3.322 3.321 1.00 0.00 H new ATOM 0 HG LEU A 299 2.131 -3.148 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 299 2.233 -2.139 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 299 1.541 -3.777 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 299 0.476 -2.357 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 299 1.849 -0.696 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 299 0.092 -0.917 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 299 0.886 -1.308 3.505 1.00 0.00 H new