USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=5 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= -0.45 K(o=-0.45,f=-2.1) USER MOD Single : A 280 MET CE :methyl -148:sc= -0.387 (180deg=-2.12!) 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 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 298 LYS NZ :NH3+ 155:sc= -0.0216 (180deg=-1.12!) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 3.079 1.709 -1.642 1.00 0.00 N ATOM 161 CA ILE A 276 1.819 0.975 -1.333 1.00 0.00 C ATOM 162 C ILE A 276 0.954 1.781 -0.359 1.00 0.00 C ATOM 163 O ILE A 276 -0.191 2.080 -0.633 1.00 0.00 O ATOM 164 CB ILE A 276 2.271 -0.334 -0.687 1.00 0.00 C ATOM 165 CG1 ILE A 276 2.913 -1.230 -1.748 1.00 0.00 C ATOM 166 CG2 ILE A 276 1.061 -1.048 -0.082 1.00 0.00 C ATOM 167 CD1 ILE A 276 3.384 -2.533 -1.100 1.00 0.00 C ATOM 0 HA ILE A 276 1.215 0.805 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 276 2.997 -0.121 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 276 2.196 -1.444 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 276 3.756 -0.717 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 276 1.383 -1.982 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.602 -0.410 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.335 -1.262 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 276 3.841 -3.171 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 276 4.115 -2.309 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 276 2.531 -3.048 -0.658 1.00 0.00 H new ATOM 179 N ARG A 277 1.492 2.134 0.776 1.00 0.00 N ATOM 180 CA ARG A 277 0.697 2.919 1.763 1.00 0.00 C ATOM 181 C ARG A 277 -0.082 4.028 1.050 1.00 0.00 C ATOM 182 O ARG A 277 -1.291 4.104 1.139 1.00 0.00 O ATOM 183 CB ARG A 277 1.729 3.516 2.720 1.00 0.00 C ATOM 184 CG ARG A 277 1.469 2.999 4.136 1.00 0.00 C ATOM 185 CD ARG A 277 2.700 2.242 4.640 1.00 0.00 C ATOM 186 NE ARG A 277 2.840 2.649 6.066 1.00 0.00 N ATOM 187 CZ ARG A 277 3.156 3.880 6.368 1.00 0.00 C ATOM 188 NH1 ARG A 277 3.359 4.756 5.421 1.00 0.00 N ATOM 189 NH2 ARG A 277 3.271 4.234 7.618 1.00 0.00 N ATOM 0 H ARG A 277 2.446 1.913 1.063 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.034 2.304 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 277 2.736 3.245 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 277 1.671 4.604 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 277 1.244 3.832 4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 277 0.599 2.343 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 277 2.567 1.164 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 277 3.588 2.504 4.065 1.00 0.00 H new ATOM 0 HE ARG A 277 2.689 1.965 6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 277 3.271 4.480 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 277 3.606 5.717 5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 277 3.114 3.550 8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 277 3.518 5.195 7.855 1.00 0.00 H new ATOM 203 N LYS A 278 0.601 4.887 0.344 1.00 0.00 N ATOM 204 CA LYS A 278 -0.101 5.987 -0.371 1.00 0.00 C ATOM 205 C LYS A 278 -1.365 5.454 -1.051 1.00 0.00 C ATOM 206 O LYS A 278 -2.472 5.750 -0.646 1.00 0.00 O ATOM 207 CB LYS A 278 0.900 6.486 -1.414 1.00 0.00 C ATOM 208 CG LYS A 278 0.982 8.013 -1.352 1.00 0.00 C ATOM 209 CD LYS A 278 2.391 8.433 -0.927 1.00 0.00 C ATOM 210 CE LYS A 278 2.352 8.979 0.502 1.00 0.00 C ATOM 211 NZ LYS A 278 3.202 8.047 1.293 1.00 0.00 N ATOM 0 H LYS A 278 1.615 4.874 0.232 1.00 0.00 H new ATOM 0 HA LYS A 278 -0.415 6.783 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 278 1.882 6.051 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 278 0.593 6.168 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 278 0.742 8.440 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 278 0.248 8.399 -0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 278 3.068 7.581 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 278 2.776 9.192 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 278 2.737 9.998 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 278 1.332 9.006 0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 3.225 8.356 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 2.808 7.086 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 4.168 8.047 0.908 1.00 0.00 H new ATOM 225 N GLN A 279 -1.210 4.669 -2.082 1.00 0.00 N ATOM 226 CA GLN A 279 -2.401 4.118 -2.787 1.00 0.00 C ATOM 227 C GLN A 279 -3.448 3.649 -1.774 1.00 0.00 C ATOM 228 O GLN A 279 -4.631 3.870 -1.941 1.00 0.00 O ATOM 229 CB GLN A 279 -1.871 2.934 -3.596 1.00 0.00 C ATOM 230 CG GLN A 279 -1.446 3.412 -4.985 1.00 0.00 C ATOM 231 CD GLN A 279 -2.662 3.968 -5.728 1.00 0.00 C ATOM 232 OE1 GLN A 279 -3.788 3.647 -5.402 1.00 0.00 O ATOM 233 NE2 GLN A 279 -2.482 4.796 -6.721 1.00 0.00 N ATOM 0 H GLN A 279 -0.309 4.385 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 279 -2.884 4.862 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -1.024 2.479 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -2.640 2.167 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -0.678 4.180 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -1.009 2.587 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -1.537 5.066 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -3.286 5.173 -7.223 1.00 0.00 H new ATOM 242 N MET A 280 -3.022 2.999 -0.725 1.00 0.00 N ATOM 243 CA MET A 280 -3.994 2.512 0.297 1.00 0.00 C ATOM 244 C MET A 280 -4.543 3.685 1.111 1.00 0.00 C ATOM 245 O MET A 280 -5.739 3.871 1.217 1.00 0.00 O ATOM 246 CB MET A 280 -3.190 1.567 1.191 1.00 0.00 C ATOM 247 CG MET A 280 -3.360 0.129 0.699 1.00 0.00 C ATOM 248 SD MET A 280 -4.104 -0.873 2.011 1.00 0.00 S ATOM 249 CE MET A 280 -2.807 -0.626 3.248 1.00 0.00 C ATOM 0 H MET A 280 -2.044 2.784 -0.531 1.00 0.00 H new ATOM 0 HA MET A 280 -4.851 2.014 -0.156 1.00 0.00 H new ATOM 0 HB2 MET A 280 -2.136 1.845 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 280 -3.528 1.651 2.224 1.00 0.00 H new ATOM 0 HG2 MET A 280 -3.990 0.110 -0.190 1.00 0.00 H new ATOM 0 HG3 MET A 280 -2.393 -0.286 0.414 1.00 0.00 H new ATOM 0 HE1 MET A 280 -2.724 -1.517 3.871 1.00 0.00 H new ATOM 0 HE2 MET A 280 -1.856 -0.444 2.747 1.00 0.00 H new ATOM 0 HE3 MET A 280 -3.058 0.231 3.872 1.00 0.00 H new ATOM 259 N ASP A 281 -3.680 4.479 1.686 1.00 0.00 N ATOM 260 CA ASP A 281 -4.157 5.640 2.491 1.00 0.00 C ATOM 261 C ASP A 281 -5.313 6.334 1.769 1.00 0.00 C ATOM 262 O ASP A 281 -6.402 6.463 2.295 1.00 0.00 O ATOM 263 CB ASP A 281 -2.951 6.574 2.595 1.00 0.00 C ATOM 264 CG ASP A 281 -3.005 7.332 3.923 1.00 0.00 C ATOM 265 OD1 ASP A 281 -3.858 7.008 4.733 1.00 0.00 O ATOM 266 OD2 ASP A 281 -2.193 8.223 4.107 1.00 0.00 O ATOM 0 H ASP A 281 -2.667 4.374 1.633 1.00 0.00 H new ATOM 0 HA ASP A 281 -4.524 5.342 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -2.027 6.000 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -2.950 7.277 1.762 1.00 0.00 H new ATOM 271 N ALA A 282 -5.085 6.781 0.565 1.00 0.00 N ATOM 272 CA ALA A 282 -6.162 7.463 -0.194 1.00 0.00 C ATOM 273 C ALA A 282 -7.354 6.520 -0.388 1.00 0.00 C ATOM 274 O ALA A 282 -8.401 6.699 0.199 1.00 0.00 O ATOM 275 CB ALA A 282 -5.533 7.815 -1.542 1.00 0.00 C ATOM 0 H ALA A 282 -4.194 6.701 0.075 1.00 0.00 H new ATOM 0 HA ALA A 282 -6.537 8.345 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -6.268 8.324 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -4.676 8.469 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -5.206 6.902 -2.040 1.00 0.00 H new ATOM 281 N ALA A 283 -7.200 5.515 -1.207 1.00 0.00 N ATOM 282 CA ALA A 283 -8.325 4.562 -1.441 1.00 0.00 C ATOM 283 C ALA A 283 -8.959 4.142 -0.112 1.00 0.00 C ATOM 284 O ALA A 283 -10.096 3.717 -0.064 1.00 0.00 O ATOM 285 CB ALA A 283 -7.684 3.358 -2.131 1.00 0.00 C ATOM 0 H ALA A 283 -6.345 5.312 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 283 -9.119 5.005 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -8.448 2.608 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -7.225 3.677 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -6.922 2.929 -1.481 1.00 0.00 H new ATOM 291 N ALA A 284 -8.232 4.248 0.965 1.00 0.00 N ATOM 292 CA ALA A 284 -8.793 3.845 2.285 1.00 0.00 C ATOM 293 C ALA A 284 -9.781 4.897 2.803 1.00 0.00 C ATOM 294 O ALA A 284 -10.980 4.755 2.670 1.00 0.00 O ATOM 295 CB ALA A 284 -7.583 3.748 3.214 1.00 0.00 C ATOM 0 H ALA A 284 -7.274 4.596 0.988 1.00 0.00 H new ATOM 0 HA ALA A 284 -9.344 2.906 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -7.912 3.455 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -6.887 3.003 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -7.086 4.717 3.266 1.00 0.00 H new ATOM 301 N SER A 285 -9.285 5.941 3.410 1.00 0.00 N ATOM 302 CA SER A 285 -10.191 6.991 3.955 1.00 0.00 C ATOM 303 C SER A 285 -10.556 8.021 2.881 1.00 0.00 C ATOM 304 O SER A 285 -10.550 9.211 3.127 1.00 0.00 O ATOM 305 CB SER A 285 -9.393 7.652 5.078 1.00 0.00 C ATOM 306 OG SER A 285 -10.221 7.787 6.226 1.00 0.00 O ATOM 0 H SER A 285 -8.289 6.112 3.552 1.00 0.00 H new ATOM 0 HA SER A 285 -11.133 6.569 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 285 -8.515 7.052 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 285 -9.034 8.630 4.758 1.00 0.00 H new ATOM 0 HG SER A 285 -9.712 8.209 6.949 1.00 0.00 H new ATOM 312 N LYS A 286 -10.881 7.582 1.696 1.00 0.00 N ATOM 313 CA LYS A 286 -11.249 8.552 0.627 1.00 0.00 C ATOM 314 C LYS A 286 -12.533 8.109 -0.080 1.00 0.00 C ATOM 315 O LYS A 286 -13.018 8.772 -0.976 1.00 0.00 O ATOM 316 CB LYS A 286 -10.072 8.548 -0.348 1.00 0.00 C ATOM 317 CG LYS A 286 -10.250 9.677 -1.365 1.00 0.00 C ATOM 318 CD LYS A 286 -9.445 10.899 -0.918 1.00 0.00 C ATOM 319 CE LYS A 286 -10.338 11.822 -0.086 1.00 0.00 C ATOM 320 NZ LYS A 286 -9.466 12.303 1.022 1.00 0.00 N ATOM 0 H LYS A 286 -10.908 6.600 1.423 1.00 0.00 H new ATOM 0 HA LYS A 286 -11.437 9.547 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -9.136 8.677 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -10.014 7.588 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -9.917 9.349 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -11.305 9.936 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -8.582 10.584 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -9.062 11.433 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -10.712 12.653 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -11.208 11.289 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -10.008 12.943 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -9.130 11.490 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -8.650 12.812 0.626 1.00 0.00 H new ATOM 334 N GLY A 287 -13.087 6.997 0.313 1.00 0.00 N ATOM 335 CA GLY A 287 -14.339 6.521 -0.341 1.00 0.00 C ATOM 336 C GLY A 287 -14.030 5.299 -1.206 1.00 0.00 C ATOM 337 O GLY A 287 -14.773 4.338 -1.228 1.00 0.00 O ATOM 0 H GLY A 287 -12.729 6.398 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.082 6.266 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -14.766 7.315 -0.954 1.00 0.00 H new ATOM 341 N ASP A 288 -12.936 5.325 -1.916 1.00 0.00 N ATOM 342 CA ASP A 288 -12.579 4.161 -2.774 1.00 0.00 C ATOM 343 C ASP A 288 -11.962 3.058 -1.914 1.00 0.00 C ATOM 344 O ASP A 288 -10.872 2.587 -2.174 1.00 0.00 O ATOM 345 CB ASP A 288 -11.557 4.701 -3.774 1.00 0.00 C ATOM 346 CG ASP A 288 -12.106 4.557 -5.194 1.00 0.00 C ATOM 347 OD1 ASP A 288 -13.315 4.605 -5.349 1.00 0.00 O ATOM 348 OD2 ASP A 288 -11.308 4.400 -6.104 1.00 0.00 O ATOM 0 H ASP A 288 -12.275 6.101 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 288 -13.445 3.731 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -11.342 5.748 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -10.617 4.157 -3.679 1.00 0.00 H new ATOM 353 N VAL A 289 -12.652 2.648 -0.886 1.00 0.00 N ATOM 354 CA VAL A 289 -12.111 1.579 0.001 1.00 0.00 C ATOM 355 C VAL A 289 -12.004 0.259 -0.764 1.00 0.00 C ATOM 356 O VAL A 289 -11.301 -0.647 -0.362 1.00 0.00 O ATOM 357 CB VAL A 289 -13.119 1.462 1.146 1.00 0.00 C ATOM 358 CG1 VAL A 289 -12.486 0.689 2.304 1.00 0.00 C ATOM 359 CG2 VAL A 289 -13.511 2.862 1.627 1.00 0.00 C ATOM 0 H VAL A 289 -13.569 3.008 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 289 -11.111 1.813 0.366 1.00 0.00 H new ATOM 0 HB VAL A 289 -14.006 0.935 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -13.203 0.605 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -12.204 -0.308 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -11.599 1.218 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -14.229 2.779 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -12.623 3.388 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -13.960 3.417 0.803 1.00 0.00 H new ATOM 369 N GLU A 290 -12.689 0.140 -1.868 1.00 0.00 N ATOM 370 CA GLU A 290 -12.613 -1.119 -2.652 1.00 0.00 C ATOM 371 C GLU A 290 -11.155 -1.563 -2.769 1.00 0.00 C ATOM 372 O GLU A 290 -10.747 -2.552 -2.193 1.00 0.00 O ATOM 373 CB GLU A 290 -13.181 -0.761 -4.025 1.00 0.00 C ATOM 374 CG GLU A 290 -13.531 -2.041 -4.786 1.00 0.00 C ATOM 375 CD GLU A 290 -12.387 -2.402 -5.736 1.00 0.00 C ATOM 376 OE1 GLU A 290 -11.774 -1.490 -6.266 1.00 0.00 O ATOM 377 OE2 GLU A 290 -12.144 -3.583 -5.917 1.00 0.00 O ATOM 0 H GLU A 290 -13.296 0.860 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 290 -13.163 -1.939 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -14.069 -0.139 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -12.454 -0.178 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -13.706 -2.857 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -14.454 -1.901 -5.349 1.00 0.00 H new ATOM 384 N THR A 291 -10.366 -0.833 -3.507 1.00 0.00 N ATOM 385 CA THR A 291 -8.934 -1.201 -3.658 1.00 0.00 C ATOM 386 C THR A 291 -8.292 -1.370 -2.279 1.00 0.00 C ATOM 387 O THR A 291 -7.569 -2.313 -2.030 1.00 0.00 O ATOM 388 CB THR A 291 -8.299 -0.029 -4.407 1.00 0.00 C ATOM 389 OG1 THR A 291 -8.848 0.047 -5.716 1.00 0.00 O ATOM 390 CG2 THR A 291 -6.786 -0.236 -4.495 1.00 0.00 C ATOM 0 H THR A 291 -10.654 0.005 -4.013 1.00 0.00 H new ATOM 0 HA THR A 291 -8.800 -2.142 -4.192 1.00 0.00 H new ATOM 0 HB THR A 291 -8.504 0.899 -3.873 1.00 0.00 H new ATOM 0 HG1 THR A 291 -8.443 0.799 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 291 -6.335 0.600 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 291 -6.368 -0.293 -3.490 1.00 0.00 H new ATOM 0 HG23 THR A 291 -6.576 -1.163 -5.029 1.00 0.00 H new ATOM 398 N TYR A 292 -8.558 -0.461 -1.379 1.00 0.00 N ATOM 399 CA TYR A 292 -7.971 -0.566 -0.013 1.00 0.00 C ATOM 400 C TYR A 292 -8.104 -2.002 0.498 1.00 0.00 C ATOM 401 O TYR A 292 -7.132 -2.634 0.861 1.00 0.00 O ATOM 402 CB TYR A 292 -8.798 0.392 0.846 1.00 0.00 C ATOM 403 CG TYR A 292 -8.172 0.524 2.215 1.00 0.00 C ATOM 404 CD1 TYR A 292 -6.780 0.587 2.348 1.00 0.00 C ATOM 405 CD2 TYR A 292 -8.988 0.588 3.351 1.00 0.00 C ATOM 406 CE1 TYR A 292 -6.204 0.712 3.618 1.00 0.00 C ATOM 407 CE2 TYR A 292 -8.412 0.714 4.621 1.00 0.00 C ATOM 408 CZ TYR A 292 -7.019 0.776 4.754 1.00 0.00 C ATOM 409 OH TYR A 292 -6.451 0.900 6.006 1.00 0.00 O ATOM 0 H TYR A 292 -9.157 0.350 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 292 -6.911 -0.315 0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -8.854 1.369 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -9.820 0.023 0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -6.151 0.539 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -10.062 0.540 3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -5.130 0.759 3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -9.041 0.763 5.497 1.00 0.00 H new ATOM 0 HH TYR A 292 -7.158 0.931 6.684 1.00 0.00 H new ATOM 419 N ARG A 293 -9.301 -2.521 0.522 1.00 0.00 N ATOM 420 CA ARG A 293 -9.498 -3.916 1.001 1.00 0.00 C ATOM 421 C ARG A 293 -8.406 -4.824 0.432 1.00 0.00 C ATOM 422 O ARG A 293 -7.523 -5.267 1.138 1.00 0.00 O ATOM 423 CB ARG A 293 -10.870 -4.328 0.465 1.00 0.00 C ATOM 424 CG ARG A 293 -11.649 -5.058 1.560 1.00 0.00 C ATOM 425 CD ARG A 293 -12.584 -4.073 2.265 1.00 0.00 C ATOM 426 NE ARG A 293 -13.066 -4.798 3.473 1.00 0.00 N ATOM 427 CZ ARG A 293 -13.968 -4.255 4.247 1.00 0.00 C ATOM 428 NH1 ARG A 293 -14.451 -3.075 3.966 1.00 0.00 N ATOM 429 NH2 ARG A 293 -14.387 -4.895 5.304 1.00 0.00 N ATOM 0 H ARG A 293 -10.151 -2.038 0.230 1.00 0.00 H new ATOM 0 HA ARG A 293 -9.445 -3.994 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -11.423 -3.448 0.136 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -10.753 -4.974 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -12.225 -5.876 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -10.959 -5.499 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -12.060 -3.157 2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -13.414 -3.786 1.620 1.00 0.00 H new ATOM 0 HE ARG A 293 -12.691 -5.720 3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -14.124 -2.574 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -15.155 -2.654 4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -14.011 -5.817 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -15.091 -4.473 5.910 1.00 0.00 H new ATOM 443 N LYS A 294 -8.459 -5.100 -0.843 1.00 0.00 N ATOM 444 CA LYS A 294 -7.424 -5.975 -1.457 1.00 0.00 C ATOM 445 C LYS A 294 -6.028 -5.506 -1.037 1.00 0.00 C ATOM 446 O LYS A 294 -5.313 -6.197 -0.337 1.00 0.00 O ATOM 447 CB LYS A 294 -7.613 -5.816 -2.966 1.00 0.00 C ATOM 448 CG LYS A 294 -6.993 -7.015 -3.687 1.00 0.00 C ATOM 449 CD LYS A 294 -8.100 -7.971 -4.135 1.00 0.00 C ATOM 450 CE LYS A 294 -8.278 -9.073 -3.088 1.00 0.00 C ATOM 451 NZ LYS A 294 -7.544 -10.247 -3.636 1.00 0.00 N ATOM 0 H LYS A 294 -9.174 -4.757 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 294 -7.520 -7.015 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -8.674 -5.743 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -7.146 -4.892 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -6.419 -6.677 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -6.298 -7.531 -3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -9.035 -7.426 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -7.848 -8.409 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -7.873 -8.770 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -9.332 -9.304 -2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -7.620 -11.045 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -7.956 -10.517 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -6.542 -10.000 -3.767 1.00 0.00 H new ATOM 465 N LEU A 295 -5.636 -4.335 -1.459 1.00 0.00 N ATOM 466 CA LEU A 295 -4.291 -3.817 -1.087 1.00 0.00 C ATOM 467 C LEU A 295 -4.009 -4.089 0.393 1.00 0.00 C ATOM 468 O LEU A 295 -3.010 -4.684 0.744 1.00 0.00 O ATOM 469 CB LEU A 295 -4.358 -2.313 -1.353 1.00 0.00 C ATOM 470 CG LEU A 295 -3.706 -2.004 -2.701 1.00 0.00 C ATOM 471 CD1 LEU A 295 -4.662 -2.392 -3.831 1.00 0.00 C ATOM 472 CD2 LEU A 295 -3.398 -0.508 -2.786 1.00 0.00 C ATOM 0 H LEU A 295 -6.192 -3.714 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 295 -3.493 -4.296 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -5.396 -1.979 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -3.849 -1.769 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 295 -2.781 -2.573 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -4.198 -2.172 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -4.883 -3.458 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -5.587 -1.823 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -2.933 -0.286 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -4.323 0.060 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -2.718 -0.230 -1.981 1.00 0.00 H new ATOM 484 N LYS A 296 -4.884 -3.656 1.262 1.00 0.00 N ATOM 485 CA LYS A 296 -4.670 -3.886 2.719 1.00 0.00 C ATOM 486 C LYS A 296 -4.136 -5.300 2.957 1.00 0.00 C ATOM 487 O LYS A 296 -3.025 -5.484 3.415 1.00 0.00 O ATOM 488 CB LYS A 296 -6.052 -3.718 3.352 1.00 0.00 C ATOM 489 CG LYS A 296 -5.970 -4.021 4.849 1.00 0.00 C ATOM 490 CD LYS A 296 -7.383 -4.112 5.428 1.00 0.00 C ATOM 491 CE LYS A 296 -7.339 -4.835 6.776 1.00 0.00 C ATOM 492 NZ LYS A 296 -7.777 -3.818 7.771 1.00 0.00 N ATOM 0 H LYS A 296 -5.739 -3.152 1.024 1.00 0.00 H new ATOM 0 HA LYS A 296 -3.941 -3.197 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -6.414 -2.702 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -6.766 -4.388 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -5.437 -4.958 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -5.406 -3.240 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -7.801 -3.113 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -8.036 -4.647 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -7.999 -5.702 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -6.335 -5.197 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -7.773 -4.239 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -7.126 -3.007 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -8.738 -3.497 7.539 1.00 0.00 H new ATOM 506 N ALA A 297 -4.916 -6.300 2.648 1.00 0.00 N ATOM 507 CA ALA A 297 -4.450 -7.699 2.853 1.00 0.00 C ATOM 508 C ALA A 297 -2.997 -7.841 2.391 1.00 0.00 C ATOM 509 O ALA A 297 -2.135 -8.255 3.139 1.00 0.00 O ATOM 510 CB ALA A 297 -5.374 -8.555 1.986 1.00 0.00 C ATOM 0 H ALA A 297 -5.856 -6.208 2.262 1.00 0.00 H new ATOM 0 HA ALA A 297 -4.483 -7.998 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -5.095 -9.604 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -6.405 -8.423 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -5.282 -8.249 0.944 1.00 0.00 H new ATOM 516 N LYS A 298 -2.722 -7.499 1.162 1.00 0.00 N ATOM 517 CA LYS A 298 -1.331 -7.612 0.650 1.00 0.00 C ATOM 518 C LYS A 298 -0.367 -6.848 1.564 1.00 0.00 C ATOM 519 O LYS A 298 0.608 -7.390 2.046 1.00 0.00 O ATOM 520 CB LYS A 298 -1.368 -6.977 -0.740 1.00 0.00 C ATOM 521 CG LYS A 298 -0.634 -7.880 -1.733 1.00 0.00 C ATOM 522 CD LYS A 298 0.736 -7.279 -2.054 1.00 0.00 C ATOM 523 CE LYS A 298 1.705 -8.396 -2.448 1.00 0.00 C ATOM 524 NZ LYS A 298 0.962 -9.217 -3.445 1.00 0.00 N ATOM 0 H LYS A 298 -3.404 -7.146 0.491 1.00 0.00 H new ATOM 0 HA LYS A 298 -0.986 -8.645 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -2.400 -6.832 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -0.902 -5.992 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -0.515 -8.879 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -1.220 -7.986 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.647 -6.557 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 298 1.120 -6.739 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 298 2.622 -7.990 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 298 1.993 -8.992 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 1.639 -9.712 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 0.371 -9.914 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.357 -8.599 -4.022 1.00 0.00 H new ATOM 538 N LEU A 299 -0.634 -5.592 1.801 1.00 0.00 N ATOM 539 CA LEU A 299 0.262 -4.787 2.678 1.00 0.00 C ATOM 540 C LEU A 299 0.703 -5.609 3.893 1.00 0.00 C ATOM 541 O LEU A 299 1.869 -5.903 4.065 1.00 0.00 O ATOM 542 CB LEU A 299 -0.586 -3.593 3.117 1.00 0.00 C ATOM 543 CG LEU A 299 0.296 -2.575 3.842 1.00 0.00 C ATOM 544 CD1 LEU A 299 0.689 -3.125 5.214 1.00 0.00 C ATOM 545 CD2 LEU A 299 1.559 -2.316 3.016 1.00 0.00 C ATOM 0 H LEU A 299 -1.436 -5.088 1.424 1.00 0.00 H new ATOM 0 HA LEU A 299 1.171 -4.477 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -1.056 -3.129 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -1.389 -3.927 3.774 1.00 0.00 H new ATOM 0 HG LEU A 299 -0.254 -1.643 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 299 1.317 -2.399 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -0.209 -3.311 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 299 1.239 -4.057 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 299 2.188 -1.591 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 299 2.109 -3.249 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.280 -1.924 2.038 1.00 0.00 H new