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 X(o=0,f=0) USER MOD Single : A 280 MET CE :methyl 143:sc= -1.03 (180deg=-5.4!) USER MOD Single : A 285 SER OG : rot 51:sc= 0.172 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 109:sc= 0.0883 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+ -174:sc= -0.0574 (180deg=-0.112) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 -3.910 -2.872 -2.426 1.00 0.00 N ATOM 161 CA ILE A 276 -2.484 -3.079 -2.050 1.00 0.00 C ATOM 162 C ILE A 276 -2.279 -2.841 -0.550 1.00 0.00 C ATOM 163 O ILE A 276 -1.654 -3.630 0.131 1.00 0.00 O ATOM 164 CB ILE A 276 -1.707 -2.047 -2.867 1.00 0.00 C ATOM 165 CG1 ILE A 276 -1.829 -2.380 -4.356 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.233 -2.078 -2.459 1.00 0.00 C ATOM 167 CD1 ILE A 276 -1.139 -1.293 -5.182 1.00 0.00 C ATOM 0 HA ILE A 276 -2.153 -4.098 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.115 -1.054 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -1.375 -3.350 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -2.879 -2.454 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.321 -1.342 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.144 -1.843 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.175 -3.071 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -1.226 -1.531 -6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -1.613 -0.331 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -0.085 -1.241 -4.907 1.00 0.00 H new ATOM 179 N ARG A 277 -2.795 -1.759 -0.031 1.00 0.00 N ATOM 180 CA ARG A 277 -2.621 -1.473 1.425 1.00 0.00 C ATOM 181 C ARG A 277 -2.812 -2.751 2.246 1.00 0.00 C ATOM 182 O ARG A 277 -1.964 -3.127 3.031 1.00 0.00 O ATOM 183 CB ARG A 277 -3.706 -0.451 1.766 1.00 0.00 C ATOM 184 CG ARG A 277 -3.501 0.052 3.196 1.00 0.00 C ATOM 185 CD ARG A 277 -3.780 1.556 3.255 1.00 0.00 C ATOM 186 NE ARG A 277 -2.436 2.196 3.261 1.00 0.00 N ATOM 187 CZ ARG A 277 -2.302 3.439 3.641 1.00 0.00 C ATOM 188 NH1 ARG A 277 -3.346 4.126 4.021 1.00 0.00 N ATOM 189 NH2 ARG A 277 -1.122 3.995 3.642 1.00 0.00 N ATOM 0 H ARG A 277 -3.328 -1.062 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 277 -1.623 -1.097 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -3.667 0.384 1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -4.692 -0.905 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -4.166 -0.479 3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -2.481 -0.152 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -4.369 1.882 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -4.346 1.818 4.149 1.00 0.00 H new ATOM 0 HE ARG A 277 -1.617 1.663 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -4.269 3.692 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -3.238 5.096 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -0.306 3.460 3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -1.016 4.965 3.938 1.00 0.00 H new ATOM 203 N LYS A 278 -3.920 -3.420 2.073 1.00 0.00 N ATOM 204 CA LYS A 278 -4.165 -4.671 2.844 1.00 0.00 C ATOM 205 C LYS A 278 -2.888 -5.514 2.899 1.00 0.00 C ATOM 206 O LYS A 278 -2.258 -5.636 3.930 1.00 0.00 O ATOM 207 CB LYS A 278 -5.261 -5.404 2.068 1.00 0.00 C ATOM 208 CG LYS A 278 -5.465 -6.799 2.662 1.00 0.00 C ATOM 209 CD LYS A 278 -6.884 -7.281 2.354 1.00 0.00 C ATOM 210 CE LYS A 278 -6.821 -8.613 1.603 1.00 0.00 C ATOM 211 NZ LYS A 278 -7.476 -8.345 0.292 1.00 0.00 N ATOM 0 H LYS A 278 -4.666 -3.153 1.431 1.00 0.00 H new ATOM 0 HA LYS A 278 -4.459 -4.473 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -6.192 -4.839 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -4.986 -5.482 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -4.735 -7.493 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -5.304 -6.774 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -7.448 -7.400 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -7.409 -6.538 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -5.791 -8.943 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -7.340 -9.400 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -7.472 -9.212 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -8.457 -8.039 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -6.956 -7.596 -0.209 1.00 0.00 H new ATOM 225 N GLN A 279 -2.502 -6.093 1.796 1.00 0.00 N ATOM 226 CA GLN A 279 -1.267 -6.923 1.785 1.00 0.00 C ATOM 227 C GLN A 279 -0.145 -6.210 2.546 1.00 0.00 C ATOM 228 O GLN A 279 0.515 -6.790 3.385 1.00 0.00 O ATOM 229 CB GLN A 279 -0.904 -7.072 0.307 1.00 0.00 C ATOM 230 CG GLN A 279 -2.009 -7.846 -0.414 1.00 0.00 C ATOM 231 CD GLN A 279 -1.468 -8.400 -1.732 1.00 0.00 C ATOM 232 OE1 GLN A 279 -1.054 -9.540 -1.802 1.00 0.00 O ATOM 233 NE2 GLN A 279 -1.454 -7.636 -2.790 1.00 0.00 N ATOM 0 H GLN A 279 -2.989 -6.027 0.902 1.00 0.00 H new ATOM 0 HA GLN A 279 -1.413 -7.889 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.777 -6.090 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 279 0.047 -7.595 0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -2.367 -8.661 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -2.860 -7.193 -0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -1.801 -6.679 -2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -1.096 -7.996 -3.674 1.00 0.00 H new ATOM 242 N MET A 280 0.072 -4.955 2.261 1.00 0.00 N ATOM 243 CA MET A 280 1.149 -4.204 2.970 1.00 0.00 C ATOM 244 C MET A 280 0.899 -4.227 4.479 1.00 0.00 C ATOM 245 O MET A 280 1.736 -4.653 5.250 1.00 0.00 O ATOM 246 CB MET A 280 1.055 -2.775 2.434 1.00 0.00 C ATOM 247 CG MET A 280 1.897 -2.646 1.164 1.00 0.00 C ATOM 248 SD MET A 280 1.657 -1.002 0.446 1.00 0.00 S ATOM 249 CE MET A 280 2.829 -0.118 1.504 1.00 0.00 C ATOM 0 H MET A 280 -0.449 -4.417 1.569 1.00 0.00 H new ATOM 0 HA MET A 280 2.135 -4.637 2.803 1.00 0.00 H new ATOM 0 HB2 MET A 280 0.016 -2.524 2.220 1.00 0.00 H new ATOM 0 HB3 MET A 280 1.405 -2.070 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 280 2.950 -2.803 1.396 1.00 0.00 H new ATOM 0 HG3 MET A 280 1.611 -3.414 0.445 1.00 0.00 H new ATOM 0 HE1 MET A 280 3.339 0.648 0.921 1.00 0.00 H new ATOM 0 HE2 MET A 280 2.292 0.351 2.329 1.00 0.00 H new ATOM 0 HE3 MET A 280 3.562 -0.820 1.901 1.00 0.00 H new ATOM 259 N ASP A 281 -0.248 -3.774 4.905 1.00 0.00 N ATOM 260 CA ASP A 281 -0.556 -3.770 6.363 1.00 0.00 C ATOM 261 C ASP A 281 -0.096 -5.084 7.001 1.00 0.00 C ATOM 262 O ASP A 281 0.659 -5.094 7.953 1.00 0.00 O ATOM 263 CB ASP A 281 -2.077 -3.637 6.442 1.00 0.00 C ATOM 264 CG ASP A 281 -2.458 -2.852 7.699 1.00 0.00 C ATOM 265 OD1 ASP A 281 -1.587 -2.203 8.255 1.00 0.00 O ATOM 266 OD2 ASP A 281 -3.614 -2.912 8.083 1.00 0.00 O ATOM 0 H ASP A 281 -0.986 -3.406 4.305 1.00 0.00 H new ATOM 0 HA ASP A 281 -0.048 -2.965 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -2.454 -3.128 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -2.538 -4.624 6.464 1.00 0.00 H new ATOM 271 N ALA A 282 -0.546 -6.192 6.483 1.00 0.00 N ATOM 272 CA ALA A 282 -0.138 -7.502 7.056 1.00 0.00 C ATOM 273 C ALA A 282 1.388 -7.589 7.155 1.00 0.00 C ATOM 274 O ALA A 282 1.954 -7.546 8.229 1.00 0.00 O ATOM 275 CB ALA A 282 -0.673 -8.547 6.077 1.00 0.00 C ATOM 0 H ALA A 282 -1.180 -6.246 5.686 1.00 0.00 H new ATOM 0 HA ALA A 282 -0.528 -7.649 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -0.412 -9.544 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -1.757 -8.459 6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -0.232 -8.384 5.094 1.00 0.00 H new ATOM 281 N ALA A 283 2.057 -7.715 6.041 1.00 0.00 N ATOM 282 CA ALA A 283 3.547 -7.812 6.067 1.00 0.00 C ATOM 283 C ALA A 283 4.156 -6.576 6.735 1.00 0.00 C ATOM 284 O ALA A 283 5.320 -6.559 7.084 1.00 0.00 O ATOM 285 CB ALA A 283 3.962 -7.884 4.598 1.00 0.00 C ATOM 0 H ALA A 283 1.637 -7.755 5.112 1.00 0.00 H new ATOM 0 HA ALA A 283 3.891 -8.676 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 283 5.047 -7.957 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 283 3.509 -8.761 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 283 3.626 -6.986 4.080 1.00 0.00 H new ATOM 291 N ALA A 284 3.384 -5.539 6.912 1.00 0.00 N ATOM 292 CA ALA A 284 3.928 -4.308 7.553 1.00 0.00 C ATOM 293 C ALA A 284 4.028 -4.492 9.071 1.00 0.00 C ATOM 294 O ALA A 284 5.096 -4.705 9.611 1.00 0.00 O ATOM 295 CB ALA A 284 2.925 -3.206 7.212 1.00 0.00 C ATOM 0 H ALA A 284 2.402 -5.491 6.641 1.00 0.00 H new ATOM 0 HA ALA A 284 4.931 -4.072 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 284 3.256 -2.264 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 284 2.857 -3.098 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 284 1.946 -3.468 7.613 1.00 0.00 H new ATOM 301 N SER A 285 2.926 -4.403 9.764 1.00 0.00 N ATOM 302 CA SER A 285 2.958 -4.564 11.245 1.00 0.00 C ATOM 303 C SER A 285 2.884 -6.045 11.630 1.00 0.00 C ATOM 304 O SER A 285 2.163 -6.424 12.531 1.00 0.00 O ATOM 305 CB SER A 285 1.723 -3.819 11.749 1.00 0.00 C ATOM 306 OG SER A 285 0.694 -3.901 10.771 1.00 0.00 O ATOM 0 H SER A 285 2.003 -4.225 9.368 1.00 0.00 H new ATOM 0 HA SER A 285 3.879 -4.175 11.678 1.00 0.00 H new ATOM 0 HB2 SER A 285 1.382 -4.251 12.690 1.00 0.00 H new ATOM 0 HB3 SER A 285 1.969 -2.776 11.948 1.00 0.00 H new ATOM 0 HG SER A 285 0.569 -4.836 10.506 1.00 0.00 H new ATOM 312 N LYS A 286 3.624 -6.885 10.959 1.00 0.00 N ATOM 313 CA LYS A 286 3.590 -8.334 11.296 1.00 0.00 C ATOM 314 C LYS A 286 5.008 -8.864 11.521 1.00 0.00 C ATOM 315 O LYS A 286 5.201 -9.990 11.935 1.00 0.00 O ATOM 316 CB LYS A 286 2.950 -9.013 10.085 1.00 0.00 C ATOM 317 CG LYS A 286 2.997 -10.531 10.268 1.00 0.00 C ATOM 318 CD LYS A 286 1.624 -11.126 9.955 1.00 0.00 C ATOM 319 CE LYS A 286 0.571 -10.490 10.866 1.00 0.00 C ATOM 320 NZ LYS A 286 -0.005 -11.626 11.638 1.00 0.00 N ATOM 0 H LYS A 286 4.249 -6.630 10.194 1.00 0.00 H new ATOM 0 HA LYS A 286 3.032 -8.527 12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 286 1.918 -8.681 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 286 3.478 -8.729 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 286 3.751 -10.964 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 286 3.287 -10.776 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 286 1.370 -10.950 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 286 1.642 -12.206 10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 286 1.018 -9.749 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -0.196 -9.978 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -0.736 -11.270 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -0.429 -12.312 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 0.747 -12.090 12.186 1.00 0.00 H new ATOM 334 N GLY A 287 6.002 -8.064 11.251 1.00 0.00 N ATOM 335 CA GLY A 287 7.404 -8.527 11.449 1.00 0.00 C ATOM 336 C GLY A 287 8.174 -8.394 10.135 1.00 0.00 C ATOM 337 O GLY A 287 9.270 -7.870 10.097 1.00 0.00 O ATOM 0 H GLY A 287 5.904 -7.111 10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 287 7.887 -7.936 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 287 7.412 -9.564 11.784 1.00 0.00 H new ATOM 341 N ASP A 288 7.609 -8.862 9.056 1.00 0.00 N ATOM 342 CA ASP A 288 8.309 -8.758 7.746 1.00 0.00 C ATOM 343 C ASP A 288 8.141 -7.348 7.176 1.00 0.00 C ATOM 344 O ASP A 288 7.678 -7.165 6.068 1.00 0.00 O ATOM 345 CB ASP A 288 7.623 -9.787 6.846 1.00 0.00 C ATOM 346 CG ASP A 288 8.363 -9.871 5.510 1.00 0.00 C ATOM 347 OD1 ASP A 288 9.334 -10.606 5.438 1.00 0.00 O ATOM 348 OD2 ASP A 288 7.947 -9.198 4.582 1.00 0.00 O ATOM 0 H ASP A 288 6.694 -9.311 9.025 1.00 0.00 H new ATOM 0 HA ASP A 288 9.380 -8.944 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 288 7.616 -10.763 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 288 6.583 -9.505 6.681 1.00 0.00 H new ATOM 353 N VAL A 289 8.514 -6.350 7.929 1.00 0.00 N ATOM 354 CA VAL A 289 8.376 -4.950 7.436 1.00 0.00 C ATOM 355 C VAL A 289 9.187 -4.757 6.153 1.00 0.00 C ATOM 356 O VAL A 289 8.936 -3.855 5.379 1.00 0.00 O ATOM 357 CB VAL A 289 8.930 -4.075 8.562 1.00 0.00 C ATOM 358 CG1 VAL A 289 8.550 -2.615 8.308 1.00 0.00 C ATOM 359 CG2 VAL A 289 8.336 -4.527 9.899 1.00 0.00 C ATOM 0 H VAL A 289 8.909 -6.443 8.865 1.00 0.00 H new ATOM 0 HA VAL A 289 7.343 -4.697 7.197 1.00 0.00 H new ATOM 0 HB VAL A 289 10.015 -4.170 8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 289 8.945 -1.991 9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 289 8.970 -2.290 7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 289 7.464 -2.522 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 289 8.730 -3.904 10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 289 7.251 -4.432 9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 289 8.603 -5.568 10.083 1.00 0.00 H new ATOM 369 N GLU A 290 10.157 -5.599 5.917 1.00 0.00 N ATOM 370 CA GLU A 290 10.974 -5.462 4.682 1.00 0.00 C ATOM 371 C GLU A 290 10.064 -5.182 3.486 1.00 0.00 C ATOM 372 O GLU A 290 10.057 -4.099 2.936 1.00 0.00 O ATOM 373 CB GLU A 290 11.672 -6.813 4.522 1.00 0.00 C ATOM 374 CG GLU A 290 12.817 -6.683 3.515 1.00 0.00 C ATOM 375 CD GLU A 290 12.248 -6.632 2.096 1.00 0.00 C ATOM 376 OE1 GLU A 290 11.238 -7.275 1.860 1.00 0.00 O ATOM 377 OE2 GLU A 290 12.831 -5.950 1.269 1.00 0.00 O ATOM 0 H GLU A 290 10.417 -6.374 6.527 1.00 0.00 H new ATOM 0 HA GLU A 290 11.688 -4.640 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 290 12.057 -7.151 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 290 10.959 -7.564 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 290 13.394 -5.781 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 290 13.500 -7.527 3.614 1.00 0.00 H new ATOM 384 N THR A 291 9.292 -6.153 3.084 1.00 0.00 N ATOM 385 CA THR A 291 8.377 -5.948 1.930 1.00 0.00 C ATOM 386 C THR A 291 7.612 -4.633 2.096 1.00 0.00 C ATOM 387 O THR A 291 7.473 -3.861 1.169 1.00 0.00 O ATOM 388 CB THR A 291 7.417 -7.138 1.968 1.00 0.00 C ATOM 389 OG1 THR A 291 8.114 -8.318 1.594 1.00 0.00 O ATOM 390 CG2 THR A 291 6.262 -6.895 0.995 1.00 0.00 C ATOM 0 H THR A 291 9.256 -7.081 3.506 1.00 0.00 H new ATOM 0 HA THR A 291 8.911 -5.889 0.982 1.00 0.00 H new ATOM 0 HB THR A 291 7.021 -7.254 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 291 8.232 -8.891 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 291 5.578 -7.743 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 291 5.728 -5.989 1.283 1.00 0.00 H new ATOM 0 HG23 THR A 291 6.655 -6.779 -0.015 1.00 0.00 H new ATOM 398 N TYR A 292 7.118 -4.373 3.276 1.00 0.00 N ATOM 399 CA TYR A 292 6.365 -3.108 3.508 1.00 0.00 C ATOM 400 C TYR A 292 7.213 -1.909 3.077 1.00 0.00 C ATOM 401 O TYR A 292 6.798 -1.100 2.271 1.00 0.00 O ATOM 402 CB TYR A 292 6.111 -3.076 5.017 1.00 0.00 C ATOM 403 CG TYR A 292 5.111 -1.993 5.346 1.00 0.00 C ATOM 404 CD1 TYR A 292 3.995 -1.792 4.523 1.00 0.00 C ATOM 405 CD2 TYR A 292 5.299 -1.191 6.478 1.00 0.00 C ATOM 406 CE1 TYR A 292 3.069 -0.788 4.834 1.00 0.00 C ATOM 407 CE2 TYR A 292 4.373 -0.188 6.788 1.00 0.00 C ATOM 408 CZ TYR A 292 3.258 0.014 5.966 1.00 0.00 C ATOM 409 OH TYR A 292 2.346 1.003 6.271 1.00 0.00 O ATOM 0 H TYR A 292 7.204 -4.982 4.090 1.00 0.00 H new ATOM 0 HA TYR A 292 5.437 -3.062 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 292 5.737 -4.043 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 292 7.045 -2.894 5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 292 3.849 -2.410 3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 292 6.159 -1.346 7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 292 2.209 -0.632 4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 292 4.519 0.430 7.662 1.00 0.00 H new ATOM 0 HH TYR A 292 2.626 1.465 7.088 1.00 0.00 H new ATOM 419 N ARG A 293 8.400 -1.790 3.607 1.00 0.00 N ATOM 420 CA ARG A 293 9.276 -0.648 3.227 1.00 0.00 C ATOM 421 C ARG A 293 9.214 -0.411 1.715 1.00 0.00 C ATOM 422 O ARG A 293 8.707 0.594 1.255 1.00 0.00 O ATOM 423 CB ARG A 293 10.683 -1.073 3.647 1.00 0.00 C ATOM 424 CG ARG A 293 10.861 -0.835 5.148 1.00 0.00 C ATOM 425 CD ARG A 293 10.990 0.666 5.415 1.00 0.00 C ATOM 426 NE ARG A 293 12.456 0.921 5.473 1.00 0.00 N ATOM 427 CZ ARG A 293 13.142 0.571 6.528 1.00 0.00 C ATOM 428 NH1 ARG A 293 12.547 -0.006 7.537 1.00 0.00 N ATOM 429 NH2 ARG A 293 14.426 0.799 6.575 1.00 0.00 N ATOM 0 H ARG A 293 8.800 -2.436 4.288 1.00 0.00 H new ATOM 0 HA ARG A 293 8.971 0.283 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.841 -2.126 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 293 11.428 -0.507 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 293 10.010 -1.241 5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 293 11.748 -1.357 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 293 10.519 1.250 4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 293 10.503 0.944 6.350 1.00 0.00 H new ATOM 0 HE ARG A 293 12.926 1.370 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 293 11.543 -0.185 7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 293 13.086 -0.278 8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 293 14.893 1.250 5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 293 14.963 0.526 7.398 1.00 0.00 H new ATOM 443 N LYS A 294 9.725 -1.329 0.939 1.00 0.00 N ATOM 444 CA LYS A 294 9.693 -1.155 -0.540 1.00 0.00 C ATOM 445 C LYS A 294 8.327 -0.622 -0.976 1.00 0.00 C ATOM 446 O LYS A 294 8.210 0.481 -1.474 1.00 0.00 O ATOM 447 CB LYS A 294 9.934 -2.553 -1.111 1.00 0.00 C ATOM 448 CG LYS A 294 11.243 -2.563 -1.903 1.00 0.00 C ATOM 449 CD LYS A 294 10.948 -2.865 -3.373 1.00 0.00 C ATOM 450 CE LYS A 294 11.054 -4.372 -3.617 1.00 0.00 C ATOM 451 NZ LYS A 294 11.402 -4.504 -5.060 1.00 0.00 N ATOM 0 H LYS A 294 10.162 -2.191 1.266 1.00 0.00 H new ATOM 0 HA LYS A 294 10.439 -0.442 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 294 9.980 -3.284 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 294 9.104 -2.842 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 294 11.743 -1.599 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 294 11.921 -3.313 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 294 9.950 -2.513 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 294 11.651 -2.332 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 294 11.819 -4.822 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 294 10.115 -4.876 -3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 11.492 -5.511 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 10.653 -4.073 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 12.304 -4.021 -5.245 1.00 0.00 H new ATOM 465 N LEU A 295 7.292 -1.397 -0.792 1.00 0.00 N ATOM 466 CA LEU A 295 5.935 -0.935 -1.192 1.00 0.00 C ATOM 467 C LEU A 295 5.737 0.526 -0.782 1.00 0.00 C ATOM 468 O LEU A 295 5.368 1.361 -1.584 1.00 0.00 O ATOM 469 CB LEU A 295 4.967 -1.841 -0.431 1.00 0.00 C ATOM 470 CG LEU A 295 4.871 -3.193 -1.137 1.00 0.00 C ATOM 471 CD1 LEU A 295 4.416 -4.259 -0.139 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.857 -3.100 -2.280 1.00 0.00 C ATOM 0 H LEU A 295 7.329 -2.330 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 295 5.780 -0.989 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 295 5.311 -1.978 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.983 -1.376 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 295 5.848 -3.464 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 295 4.348 -5.223 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 295 5.137 -4.326 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 295 3.439 -3.989 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 295 3.788 -4.064 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 295 2.880 -2.829 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 295 4.180 -2.340 -2.992 1.00 0.00 H new ATOM 484 N LYS A 296 5.983 0.839 0.461 1.00 0.00 N ATOM 485 CA LYS A 296 5.814 2.243 0.926 1.00 0.00 C ATOM 486 C LYS A 296 6.377 3.212 -0.116 1.00 0.00 C ATOM 487 O LYS A 296 5.648 3.947 -0.752 1.00 0.00 O ATOM 488 CB LYS A 296 6.613 2.330 2.226 1.00 0.00 C ATOM 489 CG LYS A 296 6.283 3.640 2.943 1.00 0.00 C ATOM 490 CD LYS A 296 6.145 3.380 4.444 1.00 0.00 C ATOM 491 CE LYS A 296 7.438 3.789 5.154 1.00 0.00 C ATOM 492 NZ LYS A 296 8.247 2.541 5.226 1.00 0.00 N ATOM 0 H LYS A 296 6.294 0.181 1.175 1.00 0.00 H new ATOM 0 HA LYS A 296 4.767 2.507 1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 296 6.375 1.482 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 296 7.681 2.279 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 296 7.068 4.374 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 296 5.357 4.059 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 296 5.303 3.944 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 296 5.937 2.325 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 296 7.963 4.568 4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 296 7.234 4.186 6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 9.104 2.715 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 7.686 1.789 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 8.517 2.247 4.266 1.00 0.00 H new ATOM 506 N ALA A 297 7.669 3.215 -0.298 1.00 0.00 N ATOM 507 CA ALA A 297 8.277 4.132 -1.301 1.00 0.00 C ATOM 508 C ALA A 297 7.439 4.134 -2.582 1.00 0.00 C ATOM 509 O ALA A 297 6.862 5.135 -2.957 1.00 0.00 O ATOM 510 CB ALA A 297 9.669 3.560 -1.570 1.00 0.00 C ATOM 0 H ALA A 297 8.329 2.622 0.205 1.00 0.00 H new ATOM 0 HA ALA A 297 8.324 5.162 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 297 10.183 4.183 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 297 10.241 3.543 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 297 9.577 2.545 -1.958 1.00 0.00 H new ATOM 516 N LYS A 298 7.367 3.017 -3.255 1.00 0.00 N ATOM 517 CA LYS A 298 6.567 2.951 -4.507 1.00 0.00 C ATOM 518 C LYS A 298 5.174 3.544 -4.277 1.00 0.00 C ATOM 519 O LYS A 298 4.787 4.506 -4.910 1.00 0.00 O ATOM 520 CB LYS A 298 6.469 1.461 -4.837 1.00 0.00 C ATOM 521 CG LYS A 298 7.537 1.097 -5.870 1.00 0.00 C ATOM 522 CD LYS A 298 7.659 -0.425 -5.964 1.00 0.00 C ATOM 523 CE LYS A 298 7.005 -0.912 -7.259 1.00 0.00 C ATOM 524 NZ LYS A 298 7.422 -2.336 -7.389 1.00 0.00 N ATOM 0 H LYS A 298 7.829 2.147 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 298 7.023 3.518 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 298 6.605 0.868 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 298 5.478 1.228 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 298 7.273 1.512 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 298 8.495 1.532 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 298 8.709 -0.718 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 298 7.179 -0.892 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 298 5.920 -0.821 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 298 7.337 -0.324 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 7.012 -2.740 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 8.459 -2.391 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 7.086 -2.873 -6.564 1.00 0.00 H new ATOM 538 N LEU A 299 4.419 2.974 -3.376 1.00 0.00 N ATOM 539 CA LEU A 299 3.051 3.500 -3.102 1.00 0.00 C ATOM 540 C LEU A 299 3.066 5.030 -3.083 1.00 0.00 C ATOM 541 O LEU A 299 2.133 5.676 -3.520 1.00 0.00 O ATOM 542 CB LEU A 299 2.685 2.949 -1.723 1.00 0.00 C ATOM 543 CG LEU A 299 1.187 3.136 -1.477 1.00 0.00 C ATOM 544 CD1 LEU A 299 0.629 1.904 -0.764 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.967 4.373 -0.602 1.00 0.00 C ATOM 0 H LEU A 299 4.692 2.165 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 299 2.332 3.200 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 299 2.945 1.892 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 299 3.258 3.463 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 299 0.675 3.267 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -0.439 2.037 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 299 0.787 1.022 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 299 1.140 1.773 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -0.100 4.509 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 299 1.479 4.240 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.365 5.252 -1.108 1.00 0.00 H new