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= -1.98 K(o=-2,f=-8!) USER MOD Single : A 280 MET CE :methyl -163:sc= 0 (180deg=-0.0867) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.354) 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+ 161:sc= 0 (180deg=-0.305) USER MOD Single : A 298 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0626) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 -3.193 2.063 -1.405 1.00 0.00 N ATOM 161 CA ILE A 276 -1.793 1.718 -1.030 1.00 0.00 C ATOM 162 C ILE A 276 -0.973 1.404 -2.283 1.00 0.00 C ATOM 163 O ILE A 276 0.061 1.994 -2.524 1.00 0.00 O ATOM 164 CB ILE A 276 -1.912 0.479 -0.144 1.00 0.00 C ATOM 165 CG1 ILE A 276 -2.631 0.848 1.156 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.515 -0.052 0.182 1.00 0.00 C ATOM 167 CD1 ILE A 276 -2.547 -0.323 2.136 1.00 0.00 C ATOM 0 HA ILE A 276 -1.290 2.538 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.480 -0.289 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -2.178 1.737 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.674 1.090 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -0.600 -0.936 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.001 -0.315 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.053 0.716 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -3.059 -0.060 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -3.021 -1.200 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -1.501 -0.544 2.350 1.00 0.00 H new ATOM 179 N ARG A 277 -1.427 0.476 -3.082 1.00 0.00 N ATOM 180 CA ARG A 277 -0.674 0.121 -4.320 1.00 0.00 C ATOM 181 C ARG A 277 -0.168 1.389 -5.010 1.00 0.00 C ATOM 182 O ARG A 277 0.959 1.456 -5.454 1.00 0.00 O ATOM 183 CB ARG A 277 -1.685 -0.608 -5.205 1.00 0.00 C ATOM 184 CG ARG A 277 -0.942 -1.517 -6.187 1.00 0.00 C ATOM 185 CD ARG A 277 -1.885 -1.925 -7.321 1.00 0.00 C ATOM 186 NE ARG A 277 -1.000 -2.518 -8.362 1.00 0.00 N ATOM 187 CZ ARG A 277 -1.514 -3.025 -9.451 1.00 0.00 C ATOM 188 NH1 ARG A 277 -2.807 -3.017 -9.632 1.00 0.00 N ATOM 189 NH2 ARG A 277 -0.733 -3.539 -10.360 1.00 0.00 N ATOM 0 H ARG A 277 -2.287 -0.052 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 277 0.200 -0.496 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.364 -1.198 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -2.294 0.113 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -0.073 -0.999 -6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -0.573 -2.403 -5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -2.628 -2.645 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.431 -1.065 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 277 0.011 -2.528 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -3.419 -2.614 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -3.205 -3.414 -10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 277 0.277 -3.545 -10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -1.132 -3.935 -11.211 1.00 0.00 H new ATOM 203 N LYS A 278 -0.992 2.396 -5.105 1.00 0.00 N ATOM 204 CA LYS A 278 -0.553 3.652 -5.762 1.00 0.00 C ATOM 205 C LYS A 278 0.539 4.323 -4.925 1.00 0.00 C ATOM 206 O LYS A 278 1.587 4.683 -5.425 1.00 0.00 O ATOM 207 CB LYS A 278 -1.805 4.529 -5.819 1.00 0.00 C ATOM 208 CG LYS A 278 -1.774 5.379 -7.091 1.00 0.00 C ATOM 209 CD LYS A 278 -3.202 5.589 -7.601 1.00 0.00 C ATOM 210 CE LYS A 278 -4.023 6.318 -6.536 1.00 0.00 C ATOM 211 NZ LYS A 278 -5.222 5.461 -6.321 1.00 0.00 N ATOM 0 H LYS A 278 -1.950 2.400 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 278 -0.135 3.480 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.699 3.906 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.852 5.172 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -1.305 6.341 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -1.172 4.887 -7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -3.188 6.168 -8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -3.661 4.628 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -3.454 6.440 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -4.306 7.316 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -5.835 5.896 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -5.747 5.368 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -4.922 4.519 -5.997 1.00 0.00 H new ATOM 225 N GLN A 279 0.299 4.494 -3.654 1.00 0.00 N ATOM 226 CA GLN A 279 1.312 5.140 -2.778 1.00 0.00 C ATOM 227 C GLN A 279 2.631 4.361 -2.814 1.00 0.00 C ATOM 228 O GLN A 279 3.675 4.904 -3.119 1.00 0.00 O ATOM 229 CB GLN A 279 0.705 5.099 -1.375 1.00 0.00 C ATOM 230 CG GLN A 279 0.116 6.469 -1.032 1.00 0.00 C ATOM 231 CD GLN A 279 -1.179 6.680 -1.819 1.00 0.00 C ATOM 232 OE1 GLN A 279 -1.218 6.466 -3.014 1.00 0.00 O ATOM 233 NE2 GLN A 279 -2.248 7.093 -1.195 1.00 0.00 N ATOM 0 H GLN A 279 -0.561 4.212 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 279 1.540 6.157 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.071 4.335 -1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 279 1.468 4.826 -0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -0.082 6.534 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 279 0.832 7.255 -1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -2.215 7.273 -0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -3.116 7.236 -1.711 1.00 0.00 H new ATOM 242 N MET A 280 2.593 3.094 -2.499 1.00 0.00 N ATOM 243 CA MET A 280 3.848 2.287 -2.510 1.00 0.00 C ATOM 244 C MET A 280 4.538 2.396 -3.874 1.00 0.00 C ATOM 245 O MET A 280 5.745 2.507 -3.959 1.00 0.00 O ATOM 246 CB MET A 280 3.404 0.848 -2.238 1.00 0.00 C ATOM 247 CG MET A 280 2.309 0.450 -3.228 1.00 0.00 C ATOM 248 SD MET A 280 3.056 -0.359 -4.664 1.00 0.00 S ATOM 249 CE MET A 280 2.715 -2.066 -4.168 1.00 0.00 C ATOM 0 H MET A 280 1.750 2.584 -2.235 1.00 0.00 H new ATOM 0 HA MET A 280 4.566 2.633 -1.767 1.00 0.00 H new ATOM 0 HB2 MET A 280 4.254 0.172 -2.330 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.034 0.758 -1.217 1.00 0.00 H new ATOM 0 HG2 MET A 280 1.597 -0.222 -2.748 1.00 0.00 H new ATOM 0 HG3 MET A 280 1.752 1.332 -3.544 1.00 0.00 H new ATOM 0 HE1 MET A 280 3.343 -2.745 -4.745 1.00 0.00 H new ATOM 0 HE2 MET A 280 2.931 -2.186 -3.106 1.00 0.00 H new ATOM 0 HE3 MET A 280 1.666 -2.296 -4.353 1.00 0.00 H new ATOM 259 N ASP A 281 3.785 2.370 -4.940 1.00 0.00 N ATOM 260 CA ASP A 281 4.410 2.477 -6.290 1.00 0.00 C ATOM 261 C ASP A 281 5.297 3.722 -6.356 1.00 0.00 C ATOM 262 O ASP A 281 6.463 3.651 -6.691 1.00 0.00 O ATOM 263 CB ASP A 281 3.237 2.603 -7.264 1.00 0.00 C ATOM 264 CG ASP A 281 3.597 1.927 -8.588 1.00 0.00 C ATOM 265 OD1 ASP A 281 4.373 0.986 -8.559 1.00 0.00 O ATOM 266 OD2 ASP A 281 3.091 2.362 -9.610 1.00 0.00 O ATOM 0 H ASP A 281 2.769 2.280 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 281 5.041 1.619 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 281 2.346 2.141 -6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 281 3.002 3.654 -7.432 1.00 0.00 H new ATOM 271 N ALA A 282 4.752 4.863 -6.038 1.00 0.00 N ATOM 272 CA ALA A 282 5.556 6.111 -6.079 1.00 0.00 C ATOM 273 C ALA A 282 6.785 5.982 -5.174 1.00 0.00 C ATOM 274 O ALA A 282 7.906 5.918 -5.638 1.00 0.00 O ATOM 275 CB ALA A 282 4.620 7.202 -5.559 1.00 0.00 C ATOM 0 H ALA A 282 3.781 4.983 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 282 5.923 6.331 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 282 5.142 8.159 -5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 282 3.743 7.267 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 282 4.306 6.959 -4.544 1.00 0.00 H new ATOM 281 N ALA A 283 6.582 5.946 -3.885 1.00 0.00 N ATOM 282 CA ALA A 283 7.737 5.827 -2.948 1.00 0.00 C ATOM 283 C ALA A 283 8.684 4.712 -3.402 1.00 0.00 C ATOM 284 O ALA A 283 9.872 4.755 -3.149 1.00 0.00 O ATOM 285 CB ALA A 283 7.116 5.482 -1.595 1.00 0.00 C ATOM 0 H ALA A 283 5.666 5.994 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 283 8.326 6.743 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 283 7.904 5.377 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 283 6.435 6.278 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 283 6.566 4.544 -1.676 1.00 0.00 H new ATOM 291 N ALA A 284 8.172 3.714 -4.068 1.00 0.00 N ATOM 292 CA ALA A 284 9.050 2.600 -4.530 1.00 0.00 C ATOM 293 C ALA A 284 10.068 3.115 -5.551 1.00 0.00 C ATOM 294 O ALA A 284 11.228 3.303 -5.244 1.00 0.00 O ATOM 295 CB ALA A 284 8.106 1.587 -5.178 1.00 0.00 C ATOM 0 H ALA A 284 7.186 3.621 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 284 9.618 2.159 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 284 8.681 0.736 -5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 284 7.379 1.244 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 284 7.584 2.057 -6.012 1.00 0.00 H new ATOM 301 N SER A 285 9.644 3.340 -6.764 1.00 0.00 N ATOM 302 CA SER A 285 10.588 3.837 -7.803 1.00 0.00 C ATOM 303 C SER A 285 10.698 5.364 -7.738 1.00 0.00 C ATOM 304 O SER A 285 10.697 6.038 -8.749 1.00 0.00 O ATOM 305 CB SER A 285 9.977 3.400 -9.133 1.00 0.00 C ATOM 306 OG SER A 285 10.405 2.079 -9.435 1.00 0.00 O ATOM 0 H SER A 285 8.684 3.201 -7.080 1.00 0.00 H new ATOM 0 HA SER A 285 11.595 3.443 -7.666 1.00 0.00 H new ATOM 0 HB2 SER A 285 8.889 3.438 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 285 10.279 4.083 -9.927 1.00 0.00 H new ATOM 0 HG SER A 285 10.013 1.795 -10.287 1.00 0.00 H new ATOM 312 N LYS A 286 10.790 5.916 -6.559 1.00 0.00 N ATOM 313 CA LYS A 286 10.896 7.396 -6.439 1.00 0.00 C ATOM 314 C LYS A 286 12.135 7.782 -5.626 1.00 0.00 C ATOM 315 O LYS A 286 12.549 8.924 -5.615 1.00 0.00 O ATOM 316 CB LYS A 286 9.621 7.826 -5.712 1.00 0.00 C ATOM 317 CG LYS A 286 9.743 9.290 -5.285 1.00 0.00 C ATOM 318 CD LYS A 286 9.668 10.191 -6.519 1.00 0.00 C ATOM 319 CE LYS A 286 10.314 11.543 -6.206 1.00 0.00 C ATOM 320 NZ LYS A 286 9.450 12.147 -5.154 1.00 0.00 N ATOM 0 H LYS A 286 10.796 5.406 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 286 10.997 7.880 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 286 8.757 7.698 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 286 9.457 7.194 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 286 8.945 9.544 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 286 10.686 9.450 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 286 10.178 9.718 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 286 8.629 10.333 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 286 11.338 11.419 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 286 10.357 12.175 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 9.606 13.175 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 8.452 11.954 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 9.689 11.734 -4.230 1.00 0.00 H new ATOM 334 N GLY A 287 12.728 6.843 -4.944 1.00 0.00 N ATOM 335 CA GLY A 287 13.937 7.163 -4.133 1.00 0.00 C ATOM 336 C GLY A 287 13.702 6.738 -2.683 1.00 0.00 C ATOM 337 O GLY A 287 14.505 6.044 -2.092 1.00 0.00 O ATOM 0 H GLY A 287 12.429 5.868 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 287 14.807 6.647 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 287 14.148 8.231 -4.181 1.00 0.00 H new ATOM 341 N ASP A 288 12.604 7.143 -2.107 1.00 0.00 N ATOM 342 CA ASP A 288 12.316 6.757 -0.698 1.00 0.00 C ATOM 343 C ASP A 288 11.769 5.329 -0.654 1.00 0.00 C ATOM 344 O ASP A 288 10.713 5.072 -0.110 1.00 0.00 O ATOM 345 CB ASP A 288 11.260 7.754 -0.219 1.00 0.00 C ATOM 346 CG ASP A 288 11.155 7.692 1.306 1.00 0.00 C ATOM 347 OD1 ASP A 288 10.526 6.771 1.800 1.00 0.00 O ATOM 348 OD2 ASP A 288 11.704 8.568 1.953 1.00 0.00 O ATOM 0 H ASP A 288 11.894 7.725 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 288 13.206 6.780 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.527 8.762 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 288 10.295 7.523 -0.670 1.00 0.00 H new ATOM 353 N VAL A 289 12.481 4.399 -1.227 1.00 0.00 N ATOM 354 CA VAL A 289 12.006 2.987 -1.224 1.00 0.00 C ATOM 355 C VAL A 289 11.763 2.513 0.211 1.00 0.00 C ATOM 356 O VAL A 289 11.101 1.522 0.443 1.00 0.00 O ATOM 357 CB VAL A 289 13.136 2.187 -1.874 1.00 0.00 C ATOM 358 CG1 VAL A 289 12.651 0.768 -2.173 1.00 0.00 C ATOM 359 CG2 VAL A 289 13.554 2.867 -3.180 1.00 0.00 C ATOM 0 H VAL A 289 13.372 4.556 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 289 11.064 2.866 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 289 13.988 2.144 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 289 13.457 0.198 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 289 12.351 0.283 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 289 11.799 0.810 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 289 14.359 2.298 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 289 12.701 2.909 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 289 13.899 3.879 -2.969 1.00 0.00 H new ATOM 369 N GLU A 290 12.287 3.216 1.177 1.00 0.00 N ATOM 370 CA GLU A 290 12.077 2.805 2.589 1.00 0.00 C ATOM 371 C GLU A 290 10.601 2.472 2.815 1.00 0.00 C ATOM 372 O GLU A 290 10.233 1.331 3.014 1.00 0.00 O ATOM 373 CB GLU A 290 12.487 4.022 3.418 1.00 0.00 C ATOM 374 CG GLU A 290 12.690 3.605 4.876 1.00 0.00 C ATOM 375 CD GLU A 290 11.521 4.116 5.720 1.00 0.00 C ATOM 376 OE1 GLU A 290 10.392 3.800 5.385 1.00 0.00 O ATOM 377 OE2 GLU A 290 11.776 4.814 6.688 1.00 0.00 O ATOM 0 H GLU A 290 12.851 4.056 1.047 1.00 0.00 H new ATOM 0 HA GLU A 290 12.652 1.919 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 290 13.406 4.452 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 290 11.720 4.794 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 290 12.758 2.520 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 290 13.629 4.009 5.254 1.00 0.00 H new ATOM 384 N THR A 291 9.755 3.463 2.780 1.00 0.00 N ATOM 385 CA THR A 291 8.304 3.213 2.986 1.00 0.00 C ATOM 386 C THR A 291 7.815 2.124 2.026 1.00 0.00 C ATOM 387 O THR A 291 7.127 1.202 2.417 1.00 0.00 O ATOM 388 CB THR A 291 7.625 4.548 2.674 1.00 0.00 C ATOM 389 OG1 THR A 291 7.897 5.471 3.720 1.00 0.00 O ATOM 390 CG2 THR A 291 6.115 4.339 2.555 1.00 0.00 C ATOM 0 H THR A 291 10.008 4.438 2.617 1.00 0.00 H new ATOM 0 HA THR A 291 8.082 2.869 3.996 1.00 0.00 H new ATOM 0 HB THR A 291 8.010 4.941 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 291 7.464 6.328 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 291 5.632 5.291 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 291 5.908 3.631 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 291 5.727 3.946 3.495 1.00 0.00 H new ATOM 398 N TYR A 292 8.167 2.226 0.773 1.00 0.00 N ATOM 399 CA TYR A 292 7.725 1.198 -0.213 1.00 0.00 C ATOM 400 C TYR A 292 7.868 -0.203 0.387 1.00 0.00 C ATOM 401 O TYR A 292 6.909 -0.939 0.507 1.00 0.00 O ATOM 402 CB TYR A 292 8.663 1.371 -1.408 1.00 0.00 C ATOM 403 CG TYR A 292 8.358 0.322 -2.450 1.00 0.00 C ATOM 404 CD1 TYR A 292 7.046 -0.135 -2.622 1.00 0.00 C ATOM 405 CD2 TYR A 292 9.388 -0.191 -3.246 1.00 0.00 C ATOM 406 CE1 TYR A 292 6.765 -1.106 -3.590 1.00 0.00 C ATOM 407 CE2 TYR A 292 9.107 -1.162 -4.215 1.00 0.00 C ATOM 408 CZ TYR A 292 7.795 -1.620 -4.387 1.00 0.00 C ATOM 409 OH TYR A 292 7.518 -2.577 -5.341 1.00 0.00 O ATOM 0 H TYR A 292 8.741 2.976 0.389 1.00 0.00 H new ATOM 0 HA TYR A 292 6.679 1.316 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 292 8.544 2.367 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.700 1.285 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 292 6.251 0.262 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 292 10.400 0.162 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 292 5.753 -1.459 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 292 9.902 -1.558 -4.830 1.00 0.00 H new ATOM 0 HH TYR A 292 8.344 -2.824 -5.806 1.00 0.00 H new ATOM 419 N ARG A 293 9.060 -0.578 0.766 1.00 0.00 N ATOM 420 CA ARG A 293 9.264 -1.928 1.359 1.00 0.00 C ATOM 421 C ARG A 293 8.140 -2.246 2.349 1.00 0.00 C ATOM 422 O ARG A 293 7.343 -3.136 2.133 1.00 0.00 O ATOM 423 CB ARG A 293 10.609 -1.845 2.081 1.00 0.00 C ATOM 424 CG ARG A 293 11.440 -3.088 1.759 1.00 0.00 C ATOM 425 CD ARG A 293 12.860 -2.667 1.372 1.00 0.00 C ATOM 426 NE ARG A 293 13.149 -3.404 0.111 1.00 0.00 N ATOM 427 CZ ARG A 293 12.624 -3.006 -1.017 1.00 0.00 C ATOM 428 NH1 ARG A 293 11.842 -1.960 -1.045 1.00 0.00 N ATOM 429 NH2 ARG A 293 12.880 -3.655 -2.119 1.00 0.00 N ATOM 0 H ARG A 293 9.901 -0.006 0.690 1.00 0.00 H new ATOM 0 HA ARG A 293 9.255 -2.716 0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 293 11.144 -0.947 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.452 -1.769 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 293 11.469 -3.753 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.979 -3.645 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.926 -1.589 1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 293 13.575 -2.925 2.153 1.00 0.00 H new ATOM 0 HE ARG A 293 13.758 -4.222 0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 293 11.640 -1.451 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 293 11.434 -1.652 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 293 13.490 -4.473 -2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 293 12.471 -3.345 -3.000 1.00 0.00 H new ATOM 443 N LYS A 294 8.073 -1.523 3.434 1.00 0.00 N ATOM 444 CA LYS A 294 7.004 -1.780 4.439 1.00 0.00 C ATOM 445 C LYS A 294 5.666 -2.032 3.738 1.00 0.00 C ATOM 446 O LYS A 294 5.129 -3.122 3.776 1.00 0.00 O ATOM 447 CB LYS A 294 6.936 -0.504 5.279 1.00 0.00 C ATOM 448 CG LYS A 294 7.756 -0.691 6.558 1.00 0.00 C ATOM 449 CD LYS A 294 8.262 0.669 7.043 1.00 0.00 C ATOM 450 CE LYS A 294 7.293 1.233 8.085 1.00 0.00 C ATOM 451 NZ LYS A 294 8.155 1.961 9.057 1.00 0.00 N ATOM 0 H LYS A 294 8.714 -0.764 3.667 1.00 0.00 H new ATOM 0 HA LYS A 294 7.213 -2.660 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 294 7.321 0.341 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 294 5.900 -0.275 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 294 7.145 -1.160 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 294 8.597 -1.358 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 294 9.257 0.565 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.349 1.357 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 294 6.564 1.901 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 294 6.732 0.437 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 7.562 2.377 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 8.834 1.298 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 8.672 2.717 8.564 1.00 0.00 H new ATOM 465 N LEU A 295 5.123 -1.031 3.098 1.00 0.00 N ATOM 466 CA LEU A 295 3.822 -1.211 2.396 1.00 0.00 C ATOM 467 C LEU A 295 3.803 -2.548 1.652 1.00 0.00 C ATOM 468 O LEU A 295 2.913 -3.355 1.831 1.00 0.00 O ATOM 469 CB LEU A 295 3.740 -0.045 1.410 1.00 0.00 C ATOM 470 CG LEU A 295 3.100 1.161 2.100 1.00 0.00 C ATOM 471 CD1 LEU A 295 3.853 1.468 3.396 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.169 2.375 1.171 1.00 0.00 C ATOM 0 H LEU A 295 5.526 -0.096 3.032 1.00 0.00 H new ATOM 0 HA LEU A 295 2.978 -1.221 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.737 0.214 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.153 -0.333 0.538 1.00 0.00 H new ATOM 0 HG LEU A 295 2.058 0.937 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 295 3.397 2.327 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 295 3.805 0.604 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 295 4.895 1.692 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 295 2.713 3.235 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 295 4.211 2.598 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 295 2.632 2.158 0.248 1.00 0.00 H new ATOM 484 N LYS A 296 4.779 -2.788 0.818 1.00 0.00 N ATOM 485 CA LYS A 296 4.818 -4.073 0.065 1.00 0.00 C ATOM 486 C LYS A 296 4.440 -5.234 0.987 1.00 0.00 C ATOM 487 O LYS A 296 3.429 -5.882 0.801 1.00 0.00 O ATOM 488 CB LYS A 296 6.266 -4.213 -0.407 1.00 0.00 C ATOM 489 CG LYS A 296 6.376 -5.392 -1.375 1.00 0.00 C ATOM 490 CD LYS A 296 7.782 -5.988 -1.296 1.00 0.00 C ATOM 491 CE LYS A 296 7.728 -7.473 -1.661 1.00 0.00 C ATOM 492 NZ LYS A 296 7.334 -7.502 -3.097 1.00 0.00 N ATOM 0 H LYS A 296 5.551 -2.149 0.626 1.00 0.00 H new ATOM 0 HA LYS A 296 4.116 -4.086 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 296 6.590 -3.295 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.925 -4.368 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 296 5.634 -6.150 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 296 6.166 -5.062 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 296 8.451 -5.460 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 296 8.185 -5.864 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 296 8.695 -7.953 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 296 7.006 -8.006 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 7.581 -8.425 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 6.308 -7.351 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 7.837 -6.750 -3.610 1.00 0.00 H new ATOM 506 N ALA A 297 5.243 -5.500 1.981 1.00 0.00 N ATOM 507 CA ALA A 297 4.929 -6.615 2.916 1.00 0.00 C ATOM 508 C ALA A 297 3.440 -6.601 3.268 1.00 0.00 C ATOM 509 O ALA A 297 2.716 -7.536 2.986 1.00 0.00 O ATOM 510 CB ALA A 297 5.777 -6.341 4.158 1.00 0.00 C ATOM 0 H ALA A 297 6.104 -4.992 2.185 1.00 0.00 H new ATOM 0 HA ALA A 297 5.145 -7.592 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.602 -7.122 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.832 -6.332 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 297 5.503 -5.374 4.579 1.00 0.00 H new ATOM 516 N LYS A 298 2.976 -5.546 3.880 1.00 0.00 N ATOM 517 CA LYS A 298 1.536 -5.470 4.247 1.00 0.00 C ATOM 518 C LYS A 298 0.670 -5.973 3.089 1.00 0.00 C ATOM 519 O LYS A 298 -0.080 -6.918 3.225 1.00 0.00 O ATOM 520 CB LYS A 298 1.271 -3.988 4.512 1.00 0.00 C ATOM 521 CG LYS A 298 -0.203 -3.786 4.866 1.00 0.00 C ATOM 522 CD LYS A 298 -0.392 -3.951 6.375 1.00 0.00 C ATOM 523 CE LYS A 298 -1.823 -3.564 6.757 1.00 0.00 C ATOM 524 NZ LYS A 298 -2.650 -4.750 6.400 1.00 0.00 N ATOM 0 H LYS A 298 3.534 -4.733 4.141 1.00 0.00 H new ATOM 0 HA LYS A 298 1.297 -6.086 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 298 1.903 -3.635 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 298 1.528 -3.399 3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -0.530 -2.794 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -0.819 -4.508 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -0.193 -4.982 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 298 0.321 -3.325 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -1.900 -3.335 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -2.150 -2.677 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -3.475 -4.444 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -2.081 -5.413 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -2.972 -5.223 7.269 1.00 0.00 H new ATOM 538 N LEU A 299 0.769 -5.346 1.948 1.00 0.00 N ATOM 539 CA LEU A 299 -0.045 -5.783 0.781 1.00 0.00 C ATOM 540 C LEU A 299 -0.012 -7.308 0.652 1.00 0.00 C ATOM 541 O LEU A 299 -1.023 -7.945 0.431 1.00 0.00 O ATOM 542 CB LEU A 299 0.617 -5.128 -0.431 1.00 0.00 C ATOM 543 CG LEU A 299 -0.016 -5.670 -1.714 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.360 -4.979 -1.951 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.915 -5.394 -2.897 1.00 0.00 C ATOM 0 H LEU A 299 1.380 -4.548 1.775 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.092 -5.496 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.497 -4.046 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.688 -5.331 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 299 -0.172 -6.744 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -1.811 -5.365 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -2.023 -5.174 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -1.204 -3.905 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 299 0.465 -5.780 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 299 1.071 -4.320 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.873 -5.886 -2.729 1.00 0.00 H new