USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=6 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+ -125:sc= -0.127 (180deg=-0.21) USER MOD Single : A 279 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 280 MET CE :methyl 174:sc= -0.847 (180deg=-0.879) USER MOD Single : A 285 SER OG : rot 180:sc= 0 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= -0.147 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ -170:sc= -1.1 (180deg=-1.45) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 -2.673 -3.220 -2.602 1.00 0.00 N ATOM 161 CA ILE A 276 -1.250 -2.901 -2.314 1.00 0.00 C ATOM 162 C ILE A 276 -0.982 -2.995 -0.809 1.00 0.00 C ATOM 163 O ILE A 276 -0.029 -3.613 -0.376 1.00 0.00 O ATOM 164 CB ILE A 276 -1.058 -1.466 -2.805 1.00 0.00 C ATOM 165 CG1 ILE A 276 -1.399 -1.390 -4.296 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.396 -1.042 -2.594 1.00 0.00 C ATOM 167 CD1 ILE A 276 -1.022 -0.010 -4.837 1.00 0.00 C ATOM 0 HA ILE A 276 -0.564 -3.593 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 276 -1.714 -0.800 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -0.862 -2.165 -4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -2.463 -1.573 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.531 -0.019 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.641 -1.098 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 276 1.054 -1.707 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -1.265 0.044 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -1.579 0.757 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 276 0.047 0.155 -4.701 1.00 0.00 H new ATOM 179 N ARG A 277 -1.819 -2.384 -0.013 1.00 0.00 N ATOM 180 CA ARG A 277 -1.627 -2.428 1.466 1.00 0.00 C ATOM 181 C ARG A 277 -1.167 -3.821 1.904 1.00 0.00 C ATOM 182 O ARG A 277 -0.325 -3.960 2.766 1.00 0.00 O ATOM 183 CB ARG A 277 -3.001 -2.108 2.054 1.00 0.00 C ATOM 184 CG ARG A 277 -3.079 -0.619 2.392 1.00 0.00 C ATOM 185 CD ARG A 277 -3.948 -0.424 3.636 1.00 0.00 C ATOM 186 NE ARG A 277 -5.339 -0.702 3.180 1.00 0.00 N ATOM 187 CZ ARG A 277 -6.262 -1.025 4.047 1.00 0.00 C ATOM 188 NH1 ARG A 277 -5.972 -1.100 5.319 1.00 0.00 N ATOM 189 NH2 ARG A 277 -7.477 -1.271 3.642 1.00 0.00 N ATOM 0 H ARG A 277 -2.632 -1.853 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.865 -1.725 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -3.783 -2.371 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -3.172 -2.704 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -2.079 -0.222 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -3.498 -0.066 1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -3.651 -1.103 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -3.856 0.589 4.027 1.00 0.00 H new ATOM 0 HE ARG A 277 -5.571 -0.640 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -5.023 -0.906 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -6.695 -1.352 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -7.706 -1.211 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -8.198 -1.523 4.317 1.00 0.00 H new ATOM 203 N LYS A 278 -1.711 -4.852 1.317 1.00 0.00 N ATOM 204 CA LYS A 278 -1.298 -6.227 1.701 1.00 0.00 C ATOM 205 C LYS A 278 0.189 -6.432 1.399 1.00 0.00 C ATOM 206 O LYS A 278 0.992 -6.635 2.287 1.00 0.00 O ATOM 207 CB LYS A 278 -2.157 -7.155 0.842 1.00 0.00 C ATOM 208 CG LYS A 278 -3.067 -7.988 1.746 1.00 0.00 C ATOM 209 CD LYS A 278 -3.611 -9.184 0.962 1.00 0.00 C ATOM 210 CE LYS A 278 -2.852 -10.449 1.368 1.00 0.00 C ATOM 211 NZ LYS A 278 -1.806 -10.621 0.322 1.00 0.00 N ATOM 0 H LYS A 278 -2.423 -4.799 0.589 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.435 -6.420 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.756 -6.571 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.521 -7.809 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -2.512 -8.334 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -3.891 -7.376 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -4.676 -9.307 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -3.503 -9.010 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -2.407 -10.342 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -3.516 -11.312 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -1.887 -11.569 -0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -1.935 -9.903 -0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -0.865 -10.511 0.751 1.00 0.00 H new ATOM 225 N GLN A 279 0.565 -6.379 0.150 1.00 0.00 N ATOM 226 CA GLN A 279 1.998 -6.566 -0.199 1.00 0.00 C ATOM 227 C GLN A 279 2.872 -5.715 0.726 1.00 0.00 C ATOM 228 O GLN A 279 3.754 -6.214 1.399 1.00 0.00 O ATOM 229 CB GLN A 279 2.121 -6.090 -1.647 1.00 0.00 C ATOM 230 CG GLN A 279 2.173 -7.301 -2.579 1.00 0.00 C ATOM 231 CD GLN A 279 0.790 -7.537 -3.188 1.00 0.00 C ATOM 232 OE1 GLN A 279 0.372 -6.817 -4.073 1.00 0.00 O ATOM 233 NE2 GLN A 279 0.056 -8.523 -2.749 1.00 0.00 N ATOM 0 H GLN A 279 -0.058 -6.215 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 279 2.324 -7.600 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 279 1.274 -5.455 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 279 3.020 -5.486 -1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 279 2.906 -7.134 -3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 279 2.494 -8.184 -2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 279 0.406 -9.128 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -0.868 -8.689 -3.149 1.00 0.00 H new ATOM 242 N MET A 280 2.629 -4.432 0.767 1.00 0.00 N ATOM 243 CA MET A 280 3.442 -3.550 1.652 1.00 0.00 C ATOM 244 C MET A 280 3.247 -3.954 3.116 1.00 0.00 C ATOM 245 O MET A 280 4.141 -3.824 3.928 1.00 0.00 O ATOM 246 CB MET A 280 2.915 -2.133 1.402 1.00 0.00 C ATOM 247 CG MET A 280 1.419 -2.076 1.705 1.00 0.00 C ATOM 248 SD MET A 280 1.169 -1.770 3.472 1.00 0.00 S ATOM 249 CE MET A 280 0.814 0.000 3.349 1.00 0.00 C ATOM 0 H MET A 280 1.905 -3.958 0.227 1.00 0.00 H new ATOM 0 HA MET A 280 4.509 -3.623 1.443 1.00 0.00 H new ATOM 0 HB2 MET A 280 3.450 -1.420 2.030 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.097 -1.845 0.367 1.00 0.00 H new ATOM 0 HG2 MET A 280 0.949 -1.287 1.119 1.00 0.00 H new ATOM 0 HG3 MET A 280 0.943 -3.013 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 280 0.521 0.381 4.327 1.00 0.00 H new ATOM 0 HE2 MET A 280 1.704 0.527 3.006 1.00 0.00 H new ATOM 0 HE3 MET A 280 0.002 0.160 2.640 1.00 0.00 H new ATOM 259 N ASP A 281 2.089 -4.452 3.461 1.00 0.00 N ATOM 260 CA ASP A 281 1.854 -4.868 4.874 1.00 0.00 C ATOM 261 C ASP A 281 2.878 -5.931 5.277 1.00 0.00 C ATOM 262 O ASP A 281 3.662 -5.740 6.186 1.00 0.00 O ATOM 263 CB ASP A 281 0.439 -5.451 4.896 1.00 0.00 C ATOM 264 CG ASP A 281 -0.513 -4.458 5.564 1.00 0.00 C ATOM 265 OD1 ASP A 281 -0.328 -3.268 5.370 1.00 0.00 O ATOM 266 OD2 ASP A 281 -1.411 -4.905 6.259 1.00 0.00 O ATOM 0 H ASP A 281 1.300 -4.588 2.829 1.00 0.00 H new ATOM 0 HA ASP A 281 1.956 -4.037 5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 281 0.106 -5.663 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 281 0.433 -6.397 5.437 1.00 0.00 H new ATOM 271 N ALA A 282 2.877 -7.049 4.606 1.00 0.00 N ATOM 272 CA ALA A 282 3.846 -8.123 4.945 1.00 0.00 C ATOM 273 C ALA A 282 5.267 -7.557 5.001 1.00 0.00 C ATOM 274 O ALA A 282 5.944 -7.658 6.003 1.00 0.00 O ATOM 275 CB ALA A 282 3.720 -9.144 3.813 1.00 0.00 C ATOM 0 H ALA A 282 2.244 -7.264 3.835 1.00 0.00 H new ATOM 0 HA ALA A 282 3.643 -8.568 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 282 4.407 -9.971 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 282 2.698 -9.522 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 282 3.965 -8.667 2.864 1.00 0.00 H new ATOM 281 N ALA A 283 5.726 -6.964 3.932 1.00 0.00 N ATOM 282 CA ALA A 283 7.106 -6.395 3.928 1.00 0.00 C ATOM 283 C ALA A 283 7.223 -5.264 4.953 1.00 0.00 C ATOM 284 O ALA A 283 8.307 -4.877 5.343 1.00 0.00 O ATOM 285 CB ALA A 283 7.309 -5.856 2.513 1.00 0.00 C ATOM 0 H ALA A 283 5.206 -6.849 3.062 1.00 0.00 H new ATOM 0 HA ALA A 283 7.856 -7.140 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 283 8.304 -5.420 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 283 7.208 -6.670 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 283 6.559 -5.093 2.303 1.00 0.00 H new ATOM 291 N ALA A 284 6.117 -4.724 5.386 1.00 0.00 N ATOM 292 CA ALA A 284 6.169 -3.611 6.377 1.00 0.00 C ATOM 293 C ALA A 284 6.315 -4.154 7.803 1.00 0.00 C ATOM 294 O ALA A 284 7.326 -3.964 8.450 1.00 0.00 O ATOM 295 CB ALA A 284 4.834 -2.883 6.222 1.00 0.00 C ATOM 0 H ALA A 284 5.180 -5.005 5.097 1.00 0.00 H new ATOM 0 HA ALA A 284 7.023 -2.955 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 284 4.793 -2.047 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 284 4.739 -2.510 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 284 4.017 -3.573 6.434 1.00 0.00 H new ATOM 301 N SER A 285 5.307 -4.816 8.300 1.00 0.00 N ATOM 302 CA SER A 285 5.376 -5.357 9.687 1.00 0.00 C ATOM 303 C SER A 285 6.054 -6.730 9.705 1.00 0.00 C ATOM 304 O SER A 285 5.589 -7.653 10.345 1.00 0.00 O ATOM 305 CB SER A 285 3.920 -5.475 10.135 1.00 0.00 C ATOM 306 OG SER A 285 3.607 -4.396 11.006 1.00 0.00 O ATOM 0 H SER A 285 4.436 -5.006 7.804 1.00 0.00 H new ATOM 0 HA SER A 285 5.961 -4.715 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 285 3.259 -5.461 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 285 3.760 -6.426 10.643 1.00 0.00 H new ATOM 0 HG SER A 285 2.673 -4.468 11.294 1.00 0.00 H new ATOM 312 N LYS A 286 7.151 -6.874 9.015 1.00 0.00 N ATOM 313 CA LYS A 286 7.852 -8.188 9.005 1.00 0.00 C ATOM 314 C LYS A 286 9.351 -7.998 9.242 1.00 0.00 C ATOM 315 O LYS A 286 10.010 -8.840 9.819 1.00 0.00 O ATOM 316 CB LYS A 286 7.605 -8.765 7.612 1.00 0.00 C ATOM 317 CG LYS A 286 8.521 -9.970 7.389 1.00 0.00 C ATOM 318 CD LYS A 286 8.171 -11.070 8.393 1.00 0.00 C ATOM 319 CE LYS A 286 9.454 -11.757 8.867 1.00 0.00 C ATOM 320 NZ LYS A 286 9.164 -13.215 8.781 1.00 0.00 N ATOM 0 H LYS A 286 7.591 -6.141 8.459 1.00 0.00 H new ATOM 0 HA LYS A 286 7.487 -8.848 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 286 6.562 -9.064 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 286 7.794 -8.006 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 286 8.408 -10.343 6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 286 9.564 -9.674 7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 286 7.638 -10.644 9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 286 7.505 -11.799 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 286 10.302 -11.486 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 286 9.705 -11.464 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 9.998 -13.754 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 8.356 -13.445 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 8.935 -13.466 7.798 1.00 0.00 H new ATOM 334 N GLY A 287 9.895 -6.903 8.794 1.00 0.00 N ATOM 335 CA GLY A 287 11.353 -6.661 8.984 1.00 0.00 C ATOM 336 C GLY A 287 11.899 -5.945 7.751 1.00 0.00 C ATOM 337 O GLY A 287 12.680 -5.020 7.850 1.00 0.00 O ATOM 0 H GLY A 287 9.393 -6.163 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 287 11.522 -6.058 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 287 11.876 -7.606 9.134 1.00 0.00 H new ATOM 341 N ASP A 288 11.482 -6.360 6.586 1.00 0.00 N ATOM 342 CA ASP A 288 11.963 -5.698 5.343 1.00 0.00 C ATOM 343 C ASP A 288 11.183 -4.401 5.122 1.00 0.00 C ATOM 344 O ASP A 288 10.626 -4.169 4.068 1.00 0.00 O ATOM 345 CB ASP A 288 11.678 -6.698 4.222 1.00 0.00 C ATOM 346 CG ASP A 288 12.675 -6.485 3.081 1.00 0.00 C ATOM 347 OD1 ASP A 288 12.657 -5.415 2.496 1.00 0.00 O ATOM 348 OD2 ASP A 288 13.440 -7.397 2.811 1.00 0.00 O ATOM 0 H ASP A 288 10.828 -7.130 6.442 1.00 0.00 H new ATOM 0 HA ASP A 288 13.021 -5.438 5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.756 -7.717 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 288 10.659 -6.570 3.857 1.00 0.00 H new ATOM 353 N VAL A 289 11.139 -3.558 6.116 1.00 0.00 N ATOM 354 CA VAL A 289 10.393 -2.276 5.976 1.00 0.00 C ATOM 355 C VAL A 289 10.981 -1.449 4.831 1.00 0.00 C ATOM 356 O VAL A 289 10.349 -0.550 4.314 1.00 0.00 O ATOM 357 CB VAL A 289 10.573 -1.559 7.314 1.00 0.00 C ATOM 358 CG1 VAL A 289 9.582 -0.399 7.408 1.00 0.00 C ATOM 359 CG2 VAL A 289 10.311 -2.542 8.459 1.00 0.00 C ATOM 0 H VAL A 289 11.588 -3.702 7.020 1.00 0.00 H new ATOM 0 HA VAL A 289 9.340 -2.433 5.744 1.00 0.00 H new ATOM 0 HB VAL A 289 11.591 -1.177 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 289 9.710 0.113 8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 289 9.764 0.302 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 289 8.564 -0.783 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 289 10.439 -2.031 9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 289 9.293 -2.923 8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 289 11.015 -3.372 8.394 1.00 0.00 H new ATOM 369 N GLU A 290 12.184 -1.750 4.422 1.00 0.00 N ATOM 370 CA GLU A 290 12.795 -0.985 3.306 1.00 0.00 C ATOM 371 C GLU A 290 11.785 -0.854 2.167 1.00 0.00 C ATOM 372 O GLU A 290 11.291 0.217 1.878 1.00 0.00 O ATOM 373 CB GLU A 290 13.996 -1.822 2.868 1.00 0.00 C ATOM 374 CG GLU A 290 14.937 -0.964 2.021 1.00 0.00 C ATOM 375 CD GLU A 290 15.312 0.301 2.795 1.00 0.00 C ATOM 376 OE1 GLU A 290 15.483 0.206 3.999 1.00 0.00 O ATOM 377 OE2 GLU A 290 15.423 1.343 2.171 1.00 0.00 O ATOM 0 H GLU A 290 12.766 -2.491 4.813 1.00 0.00 H new ATOM 0 HA GLU A 290 13.091 0.023 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 290 14.524 -2.205 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 290 13.660 -2.686 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 290 15.835 -1.529 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 290 14.455 -0.698 1.080 1.00 0.00 H new ATOM 384 N THR A 291 11.467 -1.945 1.527 1.00 0.00 N ATOM 385 CA THR A 291 10.481 -1.897 0.416 1.00 0.00 C ATOM 386 C THR A 291 9.199 -1.208 0.889 1.00 0.00 C ATOM 387 O THR A 291 8.613 -0.410 0.185 1.00 0.00 O ATOM 388 CB THR A 291 10.208 -3.362 0.068 1.00 0.00 C ATOM 389 OG1 THR A 291 11.367 -3.930 -0.526 1.00 0.00 O ATOM 390 CG2 THR A 291 9.037 -3.446 -0.912 1.00 0.00 C ATOM 0 H THR A 291 11.849 -2.869 1.727 1.00 0.00 H new ATOM 0 HA THR A 291 10.847 -1.337 -0.445 1.00 0.00 H new ATOM 0 HB THR A 291 9.959 -3.911 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 291 11.194 -4.869 -0.748 1.00 0.00 H new ATOM 0 HG21 THR A 291 8.844 -4.490 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 291 8.148 -3.010 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 291 9.283 -2.898 -1.821 1.00 0.00 H new ATOM 398 N TYR A 292 8.764 -1.510 2.083 1.00 0.00 N ATOM 399 CA TYR A 292 7.524 -0.874 2.612 1.00 0.00 C ATOM 400 C TYR A 292 7.647 0.651 2.549 1.00 0.00 C ATOM 401 O TYR A 292 6.836 1.324 1.944 1.00 0.00 O ATOM 402 CB TYR A 292 7.430 -1.348 4.063 1.00 0.00 C ATOM 403 CG TYR A 292 6.297 -0.635 4.761 1.00 0.00 C ATOM 404 CD1 TYR A 292 5.193 -0.187 4.027 1.00 0.00 C ATOM 405 CD2 TYR A 292 6.350 -0.426 6.144 1.00 0.00 C ATOM 406 CE1 TYR A 292 4.141 0.471 4.676 1.00 0.00 C ATOM 407 CE2 TYR A 292 5.299 0.232 6.793 1.00 0.00 C ATOM 408 CZ TYR A 292 4.194 0.681 6.060 1.00 0.00 C ATOM 409 OH TYR A 292 3.158 1.329 6.699 1.00 0.00 O ATOM 0 H TYR A 292 9.215 -2.171 2.715 1.00 0.00 H new ATOM 0 HA TYR A 292 6.638 -1.144 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 292 7.268 -2.425 4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 292 8.369 -1.152 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.152 -0.349 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 292 7.202 -0.772 6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 292 3.289 0.817 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 292 5.340 0.393 7.860 1.00 0.00 H new ATOM 0 HH TYR A 292 3.353 1.391 7.657 1.00 0.00 H new ATOM 419 N ARG A 293 8.656 1.199 3.169 1.00 0.00 N ATOM 420 CA ARG A 293 8.832 2.677 3.145 1.00 0.00 C ATOM 421 C ARG A 293 8.564 3.218 1.738 1.00 0.00 C ATOM 422 O ARG A 293 7.620 3.949 1.514 1.00 0.00 O ATOM 423 CB ARG A 293 10.290 2.910 3.540 1.00 0.00 C ATOM 424 CG ARG A 293 10.488 4.380 3.915 1.00 0.00 C ATOM 425 CD ARG A 293 11.866 4.562 4.555 1.00 0.00 C ATOM 426 NE ARG A 293 11.650 5.537 5.660 1.00 0.00 N ATOM 427 CZ ARG A 293 12.540 5.662 6.607 1.00 0.00 C ATOM 428 NH1 ARG A 293 13.624 4.932 6.592 1.00 0.00 N ATOM 429 NH2 ARG A 293 12.347 6.519 7.572 1.00 0.00 N ATOM 0 H ARG A 293 9.366 0.686 3.691 1.00 0.00 H new ATOM 0 HA ARG A 293 8.142 3.186 3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.557 2.270 4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.949 2.642 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 293 10.401 5.008 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 293 9.709 4.698 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.254 3.616 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.591 4.938 3.833 1.00 0.00 H new ATOM 0 HE ARG A 293 10.805 6.108 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 293 13.777 4.262 5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 293 14.317 5.033 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 293 11.502 7.090 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 293 13.041 6.618 8.313 1.00 0.00 H new ATOM 443 N LYS A 294 9.389 2.865 0.789 1.00 0.00 N ATOM 444 CA LYS A 294 9.183 3.357 -0.602 1.00 0.00 C ATOM 445 C LYS A 294 7.698 3.297 -0.966 1.00 0.00 C ATOM 446 O LYS A 294 7.039 4.311 -1.095 1.00 0.00 O ATOM 447 CB LYS A 294 9.991 2.404 -1.484 1.00 0.00 C ATOM 448 CG LYS A 294 11.483 2.579 -1.192 1.00 0.00 C ATOM 449 CD LYS A 294 12.274 1.476 -1.897 1.00 0.00 C ATOM 450 CE LYS A 294 12.120 1.626 -3.412 1.00 0.00 C ATOM 451 NZ LYS A 294 12.900 0.497 -3.991 1.00 0.00 N ATOM 0 H LYS A 294 10.197 2.256 0.918 1.00 0.00 H new ATOM 0 HA LYS A 294 9.500 4.392 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 294 9.691 1.373 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 294 9.789 2.606 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 294 11.819 3.558 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 294 11.661 2.539 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 294 13.327 1.535 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 294 11.915 0.497 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 294 11.073 1.576 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 294 12.503 2.587 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 12.843 0.532 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 13.894 0.575 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 12.508 -0.405 -3.653 1.00 0.00 H new ATOM 465 N LEU A 295 7.165 2.117 -1.129 1.00 0.00 N ATOM 466 CA LEU A 295 5.724 1.994 -1.479 1.00 0.00 C ATOM 467 C LEU A 295 4.898 2.964 -0.633 1.00 0.00 C ATOM 468 O LEU A 295 4.074 3.699 -1.140 1.00 0.00 O ATOM 469 CB LEU A 295 5.357 0.546 -1.151 1.00 0.00 C ATOM 470 CG LEU A 295 4.168 0.114 -2.012 1.00 0.00 C ATOM 471 CD1 LEU A 295 4.497 0.340 -3.488 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.882 -1.370 -1.775 1.00 0.00 C ATOM 0 H LEU A 295 7.666 1.234 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 295 5.528 2.234 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 295 6.210 -0.107 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 295 5.107 0.453 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 295 3.291 0.702 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 295 3.650 0.032 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 295 4.702 1.397 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 295 5.374 -0.248 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 295 3.035 -1.680 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 295 4.759 -1.957 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 295 3.647 -1.532 -0.723 1.00 0.00 H new ATOM 484 N LYS A 296 5.117 2.973 0.655 1.00 0.00 N ATOM 485 CA LYS A 296 4.351 3.896 1.536 1.00 0.00 C ATOM 486 C LYS A 296 4.246 5.274 0.879 1.00 0.00 C ATOM 487 O LYS A 296 3.180 5.705 0.486 1.00 0.00 O ATOM 488 CB LYS A 296 5.163 3.978 2.829 1.00 0.00 C ATOM 489 CG LYS A 296 4.216 3.993 4.030 1.00 0.00 C ATOM 490 CD LYS A 296 5.009 3.720 5.309 1.00 0.00 C ATOM 491 CE LYS A 296 5.728 4.998 5.748 1.00 0.00 C ATOM 492 NZ LYS A 296 7.143 4.808 5.322 1.00 0.00 N ATOM 0 H LYS A 296 5.795 2.380 1.134 1.00 0.00 H new ATOM 0 HA LYS A 296 3.334 3.548 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 296 5.841 3.128 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 296 5.779 4.878 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 296 3.715 4.959 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 296 3.439 3.239 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 296 4.340 3.378 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 296 5.733 2.924 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 296 5.289 5.879 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 296 5.656 5.141 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 7.733 5.559 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 7.483 3.882 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 7.202 4.850 4.285 1.00 0.00 H new ATOM 506 N ALA A 297 5.346 5.965 0.752 1.00 0.00 N ATOM 507 CA ALA A 297 5.308 7.308 0.115 1.00 0.00 C ATOM 508 C ALA A 297 4.428 7.266 -1.135 1.00 0.00 C ATOM 509 O ALA A 297 3.453 7.982 -1.246 1.00 0.00 O ATOM 510 CB ALA A 297 6.760 7.611 -0.258 1.00 0.00 C ATOM 0 H ALA A 297 6.267 5.656 1.062 1.00 0.00 H new ATOM 0 HA ALA A 297 4.892 8.070 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 297 6.816 8.589 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 297 7.375 7.610 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 297 7.125 6.850 -0.947 1.00 0.00 H new ATOM 516 N LYS A 298 4.765 6.428 -2.078 1.00 0.00 N ATOM 517 CA LYS A 298 3.951 6.334 -3.319 1.00 0.00 C ATOM 518 C LYS A 298 2.467 6.200 -2.968 1.00 0.00 C ATOM 519 O LYS A 298 1.667 7.066 -3.264 1.00 0.00 O ATOM 520 CB LYS A 298 4.450 5.074 -4.026 1.00 0.00 C ATOM 521 CG LYS A 298 4.585 5.349 -5.525 1.00 0.00 C ATOM 522 CD LYS A 298 3.796 4.300 -6.311 1.00 0.00 C ATOM 523 CE LYS A 298 4.160 2.902 -5.805 1.00 0.00 C ATOM 524 NZ LYS A 298 4.320 2.078 -7.035 1.00 0.00 N ATOM 0 H LYS A 298 5.571 5.804 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 298 4.051 7.220 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 298 5.412 4.769 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 298 3.756 4.251 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 298 4.214 6.347 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 298 5.635 5.323 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 298 2.726 4.473 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 298 4.020 4.383 -7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 298 5.079 2.921 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 298 3.379 2.500 -5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 4.570 1.104 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 3.427 2.073 -7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 5.074 2.481 -7.627 1.00 0.00 H new ATOM 538 N LEU A 299 2.093 5.118 -2.341 1.00 0.00 N ATOM 539 CA LEU A 299 0.664 4.924 -1.972 1.00 0.00 C ATOM 540 C LEU A 299 0.112 6.186 -1.304 1.00 0.00 C ATOM 541 O LEU A 299 -0.795 6.819 -1.805 1.00 0.00 O ATOM 542 CB LEU A 299 0.664 3.753 -0.990 1.00 0.00 C ATOM 543 CG LEU A 299 -0.777 3.334 -0.696 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.213 2.267 -1.701 1.00 0.00 C ATOM 545 CD2 LEU A 299 -0.861 2.763 0.722 1.00 0.00 C ATOM 0 H LEU A 299 2.718 4.359 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 299 0.037 4.727 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 299 1.220 2.914 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.166 4.039 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 299 -1.432 4.201 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -2.240 1.968 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.152 2.672 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -0.558 1.399 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -1.888 2.464 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -0.206 1.896 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -0.549 3.522 1.439 1.00 0.00 H new