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= -0.402 K(o=-0.4,f=-3!) USER MOD Single : A 280 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ 172:sc= 0.722 (180deg=0.418) 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+ 170:sc= -0.206 (180deg=-0.382) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 -2.819 1.448 -2.165 1.00 0.00 N ATOM 161 CA ILE A 276 -1.376 1.164 -1.920 1.00 0.00 C ATOM 162 C ILE A 276 -0.938 -0.082 -2.694 1.00 0.00 C ATOM 163 O ILE A 276 -0.017 -0.040 -3.485 1.00 0.00 O ATOM 164 CB ILE A 276 -1.270 0.925 -0.415 1.00 0.00 C ATOM 165 CG1 ILE A 276 -1.470 2.249 0.326 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.112 0.359 -0.083 1.00 0.00 C ATOM 167 CD1 ILE A 276 -2.637 2.115 1.306 1.00 0.00 C ATOM 0 HA ILE A 276 -0.735 1.981 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.037 0.215 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -0.560 2.519 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -1.669 3.050 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.187 0.189 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.255 -0.584 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.880 1.068 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -2.779 3.058 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -3.546 1.865 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -2.419 1.326 2.026 1.00 0.00 H new ATOM 179 N ARG A 277 -1.591 -1.190 -2.473 1.00 0.00 N ATOM 180 CA ARG A 277 -1.209 -2.436 -3.197 1.00 0.00 C ATOM 181 C ARG A 277 -0.940 -2.127 -4.672 1.00 0.00 C ATOM 182 O ARG A 277 0.177 -2.210 -5.138 1.00 0.00 O ATOM 183 CB ARG A 277 -2.416 -3.364 -3.056 1.00 0.00 C ATOM 184 CG ARG A 277 -2.567 -3.786 -1.593 1.00 0.00 C ATOM 185 CD ARG A 277 -2.792 -5.298 -1.519 1.00 0.00 C ATOM 186 NE ARG A 277 -2.446 -5.670 -0.119 1.00 0.00 N ATOM 187 CZ ARG A 277 -2.244 -6.921 0.197 1.00 0.00 C ATOM 188 NH1 ARG A 277 -2.342 -7.853 -0.713 1.00 0.00 N ATOM 189 NH2 ARG A 277 -1.943 -7.242 1.426 1.00 0.00 N ATOM 0 H ARG A 277 -2.371 -1.287 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.301 -2.885 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -3.320 -2.857 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -2.288 -4.243 -3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -1.674 -3.512 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -3.405 -3.260 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -3.825 -5.555 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.163 -5.826 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 277 -2.367 -4.946 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -2.577 -7.605 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -2.184 -8.829 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -1.866 -6.516 2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -1.785 -8.219 1.674 1.00 0.00 H new ATOM 203 N LYS A 278 -1.955 -1.772 -5.410 1.00 0.00 N ATOM 204 CA LYS A 278 -1.753 -1.459 -6.852 1.00 0.00 C ATOM 205 C LYS A 278 -0.481 -0.628 -7.039 1.00 0.00 C ATOM 206 O LYS A 278 0.409 -0.991 -7.783 1.00 0.00 O ATOM 207 CB LYS A 278 -2.987 -0.651 -7.255 1.00 0.00 C ATOM 208 CG LYS A 278 -3.467 -1.105 -8.635 1.00 0.00 C ATOM 209 CD LYS A 278 -2.797 -0.253 -9.714 1.00 0.00 C ATOM 210 CE LYS A 278 -3.845 0.634 -10.389 1.00 0.00 C ATOM 211 NZ LYS A 278 -3.074 1.776 -10.955 1.00 0.00 N ATOM 0 H LYS A 278 -2.915 -1.685 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.637 -2.357 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -3.780 -0.787 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -2.748 0.412 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -3.228 -2.157 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -4.551 -1.012 -8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -2.014 0.363 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -2.318 -0.895 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -4.378 0.091 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -4.592 0.978 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -3.725 2.430 -11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -2.583 2.277 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -2.376 1.419 -11.638 1.00 0.00 H new ATOM 225 N GLN A 279 -0.392 0.489 -6.369 1.00 0.00 N ATOM 226 CA GLN A 279 0.812 1.350 -6.504 1.00 0.00 C ATOM 227 C GLN A 279 2.081 0.568 -6.148 1.00 0.00 C ATOM 228 O GLN A 279 2.946 0.362 -6.976 1.00 0.00 O ATOM 229 CB GLN A 279 0.592 2.492 -5.511 1.00 0.00 C ATOM 230 CG GLN A 279 1.415 3.708 -5.941 1.00 0.00 C ATOM 231 CD GLN A 279 0.487 4.908 -6.138 1.00 0.00 C ATOM 232 OE1 GLN A 279 -0.709 4.749 -6.280 1.00 0.00 O ATOM 233 NE2 GLN A 279 0.991 6.112 -6.153 1.00 0.00 N ATOM 0 H GLN A 279 -1.106 0.842 -5.732 1.00 0.00 H new ATOM 0 HA GLN A 279 0.944 1.710 -7.524 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.466 2.752 -5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 279 0.884 2.178 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 279 2.167 3.937 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 279 1.948 3.491 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 279 1.995 6.246 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 279 0.381 6.919 -6.284 1.00 0.00 H new ATOM 242 N MET A 280 2.204 0.139 -4.920 1.00 0.00 N ATOM 243 CA MET A 280 3.424 -0.620 -4.516 1.00 0.00 C ATOM 244 C MET A 280 3.622 -1.839 -5.424 1.00 0.00 C ATOM 245 O MET A 280 4.711 -2.359 -5.547 1.00 0.00 O ATOM 246 CB MET A 280 3.174 -1.044 -3.063 1.00 0.00 C ATOM 247 CG MET A 280 2.293 -2.295 -3.018 1.00 0.00 C ATOM 248 SD MET A 280 3.288 -3.714 -2.494 1.00 0.00 S ATOM 249 CE MET A 280 2.486 -3.973 -0.893 1.00 0.00 C ATOM 0 H MET A 280 1.515 0.281 -4.181 1.00 0.00 H new ATOM 0 HA MET A 280 4.330 -0.021 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 280 4.124 -1.242 -2.566 1.00 0.00 H new ATOM 0 HB3 MET A 280 2.692 -0.232 -2.518 1.00 0.00 H new ATOM 0 HG2 MET A 280 1.463 -2.144 -2.327 1.00 0.00 H new ATOM 0 HG3 MET A 280 1.860 -2.484 -4.000 1.00 0.00 H new ATOM 0 HE1 MET A 280 2.951 -4.818 -0.386 1.00 0.00 H new ATOM 0 HE2 MET A 280 2.596 -3.077 -0.282 1.00 0.00 H new ATOM 0 HE3 MET A 280 1.427 -4.180 -1.046 1.00 0.00 H new ATOM 259 N ASP A 281 2.581 -2.296 -6.064 1.00 0.00 N ATOM 260 CA ASP A 281 2.724 -3.477 -6.963 1.00 0.00 C ATOM 261 C ASP A 281 3.597 -3.116 -8.167 1.00 0.00 C ATOM 262 O ASP A 281 4.711 -3.585 -8.302 1.00 0.00 O ATOM 263 CB ASP A 281 1.300 -3.814 -7.411 1.00 0.00 C ATOM 264 CG ASP A 281 1.239 -5.275 -7.860 1.00 0.00 C ATOM 265 OD1 ASP A 281 2.007 -5.638 -8.736 1.00 0.00 O ATOM 266 OD2 ASP A 281 0.425 -6.007 -7.321 1.00 0.00 O ATOM 0 H ASP A 281 1.641 -1.905 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 281 3.201 -4.321 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 281 0.600 -3.644 -6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 281 1.000 -3.158 -8.228 1.00 0.00 H new ATOM 271 N ALA A 282 3.100 -2.285 -9.042 1.00 0.00 N ATOM 272 CA ALA A 282 3.895 -1.894 -10.234 1.00 0.00 C ATOM 273 C ALA A 282 5.178 -1.176 -9.805 1.00 0.00 C ATOM 274 O ALA A 282 6.134 -1.095 -10.549 1.00 0.00 O ATOM 275 CB ALA A 282 2.989 -0.948 -11.022 1.00 0.00 C ATOM 0 H ALA A 282 2.175 -1.860 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 282 4.199 -2.756 -10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 282 3.506 -0.614 -11.921 1.00 0.00 H new ATOM 0 HB2 ALA A 282 2.074 -1.470 -11.303 1.00 0.00 H new ATOM 0 HB3 ALA A 282 2.739 -0.085 -10.405 1.00 0.00 H new ATOM 281 N ALA A 283 5.205 -0.653 -8.609 1.00 0.00 N ATOM 282 CA ALA A 283 6.422 0.062 -8.133 1.00 0.00 C ATOM 283 C ALA A 283 7.363 -0.909 -7.413 1.00 0.00 C ATOM 284 O ALA A 283 8.501 -0.591 -7.132 1.00 0.00 O ATOM 285 CB ALA A 283 5.904 1.123 -7.163 1.00 0.00 C ATOM 0 H ALA A 283 4.435 -0.691 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 283 6.989 0.501 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 283 6.743 1.695 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 283 5.223 1.794 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 283 5.376 0.638 -6.342 1.00 0.00 H new ATOM 291 N ALA A 284 6.895 -2.088 -7.108 1.00 0.00 N ATOM 292 CA ALA A 284 7.760 -3.073 -6.402 1.00 0.00 C ATOM 293 C ALA A 284 8.417 -4.027 -7.402 1.00 0.00 C ATOM 294 O ALA A 284 9.623 -4.055 -7.550 1.00 0.00 O ATOM 295 CB ALA A 284 6.814 -3.841 -5.479 1.00 0.00 C ATOM 0 H ALA A 284 5.951 -2.411 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 284 8.567 -2.587 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 284 7.377 -4.589 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 284 6.343 -3.148 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 284 6.046 -4.335 -6.074 1.00 0.00 H new ATOM 301 N SER A 285 7.633 -4.816 -8.084 1.00 0.00 N ATOM 302 CA SER A 285 8.210 -5.776 -9.065 1.00 0.00 C ATOM 303 C SER A 285 8.423 -5.096 -10.420 1.00 0.00 C ATOM 304 O SER A 285 8.080 -5.635 -11.454 1.00 0.00 O ATOM 305 CB SER A 285 7.173 -6.892 -9.183 1.00 0.00 C ATOM 306 OG SER A 285 7.797 -8.060 -9.701 1.00 0.00 O ATOM 0 H SER A 285 6.616 -4.837 -8.004 1.00 0.00 H new ATOM 0 HA SER A 285 9.182 -6.152 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 285 6.735 -7.102 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 285 6.359 -6.580 -9.837 1.00 0.00 H new ATOM 0 HG SER A 285 7.135 -8.778 -9.777 1.00 0.00 H new ATOM 312 N LYS A 286 8.985 -3.919 -10.427 1.00 0.00 N ATOM 313 CA LYS A 286 9.214 -3.215 -11.720 1.00 0.00 C ATOM 314 C LYS A 286 10.588 -2.543 -11.734 1.00 0.00 C ATOM 315 O LYS A 286 11.238 -2.460 -12.758 1.00 0.00 O ATOM 316 CB LYS A 286 8.103 -2.169 -11.805 1.00 0.00 C ATOM 317 CG LYS A 286 8.251 -1.371 -13.102 1.00 0.00 C ATOM 318 CD LYS A 286 7.907 -2.265 -14.295 1.00 0.00 C ATOM 319 CE LYS A 286 8.965 -2.090 -15.387 1.00 0.00 C ATOM 320 NZ LYS A 286 10.134 -2.887 -14.921 1.00 0.00 N ATOM 0 H LYS A 286 9.295 -3.415 -9.596 1.00 0.00 H new ATOM 0 HA LYS A 286 9.195 -3.901 -12.566 1.00 0.00 H new ATOM 0 HB2 LYS A 286 7.128 -2.655 -11.774 1.00 0.00 H new ATOM 0 HB3 LYS A 286 8.153 -1.500 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 286 7.593 -0.502 -13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 286 9.270 -0.997 -13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 286 7.863 -3.308 -13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 286 6.922 -2.007 -14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 286 8.601 -2.448 -16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 286 9.229 -1.040 -15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 10.849 -2.929 -15.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 10.546 -2.438 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 9.824 -3.851 -14.684 1.00 0.00 H new ATOM 334 N GLY A 287 11.034 -2.058 -10.611 1.00 0.00 N ATOM 335 CA GLY A 287 12.363 -1.387 -10.564 1.00 0.00 C ATOM 336 C GLY A 287 12.325 -0.282 -9.511 1.00 0.00 C ATOM 337 O GLY A 287 13.268 -0.079 -8.773 1.00 0.00 O ATOM 0 H GLY A 287 10.536 -2.097 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 287 13.142 -2.110 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 287 12.608 -0.969 -11.540 1.00 0.00 H new ATOM 341 N ASP A 288 11.233 0.427 -9.429 1.00 0.00 N ATOM 342 CA ASP A 288 11.125 1.511 -8.415 1.00 0.00 C ATOM 343 C ASP A 288 10.791 0.904 -7.053 1.00 0.00 C ATOM 344 O ASP A 288 9.843 1.293 -6.400 1.00 0.00 O ATOM 345 CB ASP A 288 9.985 2.405 -8.904 1.00 0.00 C ATOM 346 CG ASP A 288 10.067 3.766 -8.210 1.00 0.00 C ATOM 347 OD1 ASP A 288 10.741 3.852 -7.196 1.00 0.00 O ATOM 348 OD2 ASP A 288 9.455 4.699 -8.703 1.00 0.00 O ATOM 0 H ASP A 288 10.412 0.302 -10.021 1.00 0.00 H new ATOM 0 HA ASP A 288 12.052 2.073 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 288 10.047 2.532 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 288 9.024 1.935 -8.693 1.00 0.00 H new ATOM 353 N VAL A 289 11.563 -0.057 -6.626 1.00 0.00 N ATOM 354 CA VAL A 289 11.294 -0.704 -5.311 1.00 0.00 C ATOM 355 C VAL A 289 11.414 0.323 -4.183 1.00 0.00 C ATOM 356 O VAL A 289 10.957 0.102 -3.079 1.00 0.00 O ATOM 357 CB VAL A 289 12.363 -1.788 -5.177 1.00 0.00 C ATOM 358 CG1 VAL A 289 11.986 -2.738 -4.040 1.00 0.00 C ATOM 359 CG2 VAL A 289 12.454 -2.577 -6.487 1.00 0.00 C ATOM 0 H VAL A 289 12.370 -0.423 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 289 10.288 -1.120 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 289 13.325 -1.324 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 289 12.748 -3.511 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.917 -2.179 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 289 11.024 -3.202 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 289 13.216 -3.351 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 289 11.491 -3.040 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 289 12.720 -1.902 -7.300 1.00 0.00 H new ATOM 369 N GLU A 290 12.017 1.449 -4.450 1.00 0.00 N ATOM 370 CA GLU A 290 12.153 2.484 -3.393 1.00 0.00 C ATOM 371 C GLU A 290 10.791 2.736 -2.745 1.00 0.00 C ATOM 372 O GLU A 290 10.567 2.415 -1.595 1.00 0.00 O ATOM 373 CB GLU A 290 12.639 3.732 -4.128 1.00 0.00 C ATOM 374 CG GLU A 290 13.236 4.719 -3.123 1.00 0.00 C ATOM 375 CD GLU A 290 13.221 6.128 -3.719 1.00 0.00 C ATOM 376 OE1 GLU A 290 13.561 6.261 -4.883 1.00 0.00 O ATOM 377 OE2 GLU A 290 12.869 7.050 -3.001 1.00 0.00 O ATOM 0 H GLU A 290 12.420 1.695 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 290 12.839 2.190 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 290 13.386 3.460 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 290 11.811 4.198 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 290 12.665 4.699 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 290 14.257 4.429 -2.875 1.00 0.00 H new ATOM 384 N THR A 291 9.877 3.304 -3.482 1.00 0.00 N ATOM 385 CA THR A 291 8.526 3.574 -2.924 1.00 0.00 C ATOM 386 C THR A 291 7.928 2.283 -2.358 1.00 0.00 C ATOM 387 O THR A 291 7.372 2.263 -1.278 1.00 0.00 O ATOM 388 CB THR A 291 7.700 4.073 -4.111 1.00 0.00 C ATOM 389 OG1 THR A 291 8.133 5.378 -4.471 1.00 0.00 O ATOM 390 CG2 THR A 291 6.220 4.112 -3.725 1.00 0.00 C ATOM 0 H THR A 291 10.010 3.593 -4.451 1.00 0.00 H new ATOM 0 HA THR A 291 8.548 4.300 -2.111 1.00 0.00 H new ATOM 0 HB THR A 291 7.834 3.399 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 291 7.606 5.699 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 291 5.632 4.468 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 291 5.889 3.111 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 291 6.082 4.786 -2.879 1.00 0.00 H new ATOM 398 N TYR A 292 8.042 1.205 -3.084 1.00 0.00 N ATOM 399 CA TYR A 292 7.486 -0.090 -2.597 1.00 0.00 C ATOM 400 C TYR A 292 7.845 -0.298 -1.124 1.00 0.00 C ATOM 401 O TYR A 292 6.995 -0.254 -0.256 1.00 0.00 O ATOM 402 CB TYR A 292 8.153 -1.152 -3.471 1.00 0.00 C ATOM 403 CG TYR A 292 7.819 -2.528 -2.948 1.00 0.00 C ATOM 404 CD1 TYR A 292 6.630 -2.742 -2.242 1.00 0.00 C ATOM 405 CD2 TYR A 292 8.699 -3.593 -3.176 1.00 0.00 C ATOM 406 CE1 TYR A 292 6.321 -4.020 -1.762 1.00 0.00 C ATOM 407 CE2 TYR A 292 8.390 -4.871 -2.697 1.00 0.00 C ATOM 408 CZ TYR A 292 7.201 -5.085 -1.990 1.00 0.00 C ATOM 409 OH TYR A 292 6.896 -6.345 -1.517 1.00 0.00 O ATOM 0 H TYR A 292 8.497 1.165 -3.996 1.00 0.00 H new ATOM 0 HA TYR A 292 6.399 -0.129 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 292 7.814 -1.053 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.233 -1.007 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.951 -1.921 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 292 9.616 -3.428 -3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 292 5.404 -4.185 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 292 9.069 -5.692 -2.873 1.00 0.00 H new ATOM 0 HH TYR A 292 7.611 -6.968 -1.762 1.00 0.00 H new ATOM 419 N ARG A 293 9.097 -0.524 -0.834 1.00 0.00 N ATOM 420 CA ARG A 293 9.507 -0.733 0.582 1.00 0.00 C ATOM 421 C ARG A 293 8.808 0.282 1.489 1.00 0.00 C ATOM 422 O ARG A 293 8.022 -0.073 2.345 1.00 0.00 O ATOM 423 CB ARG A 293 11.020 -0.512 0.595 1.00 0.00 C ATOM 424 CG ARG A 293 11.532 -0.570 2.036 1.00 0.00 C ATOM 425 CD ARG A 293 12.677 -1.581 2.132 1.00 0.00 C ATOM 426 NE ARG A 293 12.361 -2.405 3.332 1.00 0.00 N ATOM 427 CZ ARG A 293 13.235 -3.260 3.790 1.00 0.00 C ATOM 428 NH1 ARG A 293 14.391 -3.398 3.198 1.00 0.00 N ATOM 429 NH2 ARG A 293 12.953 -3.980 4.841 1.00 0.00 N ATOM 0 H ARG A 293 9.853 -0.573 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 293 9.238 -1.724 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 293 11.515 -1.273 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 293 11.261 0.454 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 293 11.876 0.415 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.724 -0.856 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.737 -2.197 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 293 13.639 -1.080 2.239 1.00 0.00 H new ATOM 0 HE ARG A 293 11.459 -2.301 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 293 14.613 -2.837 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 293 15.072 -4.067 3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 293 12.050 -3.875 5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 293 13.635 -4.648 5.199 1.00 0.00 H new ATOM 443 N LYS A 294 9.088 1.544 1.306 1.00 0.00 N ATOM 444 CA LYS A 294 8.441 2.584 2.154 1.00 0.00 C ATOM 445 C LYS A 294 6.957 2.263 2.345 1.00 0.00 C ATOM 446 O LYS A 294 6.485 2.103 3.453 1.00 0.00 O ATOM 447 CB LYS A 294 8.612 3.890 1.376 1.00 0.00 C ATOM 448 CG LYS A 294 9.535 4.831 2.153 1.00 0.00 C ATOM 449 CD LYS A 294 8.937 6.240 2.162 1.00 0.00 C ATOM 450 CE LYS A 294 9.168 6.902 0.801 1.00 0.00 C ATOM 451 NZ LYS A 294 8.254 8.078 0.786 1.00 0.00 N ATOM 0 H LYS A 294 9.738 1.899 0.605 1.00 0.00 H new ATOM 0 HA LYS A 294 8.883 2.641 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 294 9.030 3.686 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.642 4.362 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 294 9.662 4.472 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 294 10.524 4.847 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 294 7.870 6.192 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 294 9.396 6.836 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 294 10.207 7.208 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 294 8.942 6.216 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 8.355 8.584 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 7.271 7.755 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 8.497 8.717 1.570 1.00 0.00 H new ATOM 465 N LEU A 295 6.218 2.168 1.273 1.00 0.00 N ATOM 466 CA LEU A 295 4.766 1.858 1.390 1.00 0.00 C ATOM 467 C LEU A 295 4.541 0.766 2.438 1.00 0.00 C ATOM 468 O LEU A 295 3.855 0.968 3.420 1.00 0.00 O ATOM 469 CB LEU A 295 4.352 1.366 0.003 1.00 0.00 C ATOM 470 CG LEU A 295 3.494 2.431 -0.681 1.00 0.00 C ATOM 471 CD1 LEU A 295 2.248 2.704 0.163 1.00 0.00 C ATOM 472 CD2 LEU A 295 4.305 3.722 -0.823 1.00 0.00 C ATOM 0 H LEU A 295 6.559 2.292 0.320 1.00 0.00 H new ATOM 0 HA LEU A 295 4.183 2.724 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 295 5.236 1.155 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.794 0.434 0.088 1.00 0.00 H new ATOM 0 HG LEU A 295 3.194 2.077 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 295 1.637 3.463 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 295 1.671 1.785 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 295 2.547 3.058 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 295 3.695 4.483 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 295 4.604 4.074 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 295 5.194 3.529 -1.424 1.00 0.00 H new ATOM 484 N LYS A 296 5.115 -0.391 2.238 1.00 0.00 N ATOM 485 CA LYS A 296 4.934 -1.492 3.224 1.00 0.00 C ATOM 486 C LYS A 296 5.044 -0.944 4.648 1.00 0.00 C ATOM 487 O LYS A 296 4.117 -1.029 5.429 1.00 0.00 O ATOM 488 CB LYS A 296 6.070 -2.474 2.936 1.00 0.00 C ATOM 489 CG LYS A 296 5.595 -3.525 1.930 1.00 0.00 C ATOM 490 CD LYS A 296 6.343 -4.837 2.171 1.00 0.00 C ATOM 491 CE LYS A 296 5.478 -5.771 3.020 1.00 0.00 C ATOM 492 NZ LYS A 296 6.360 -6.927 3.341 1.00 0.00 N ATOM 0 H LYS A 296 5.701 -0.619 1.435 1.00 0.00 H new ATOM 0 HA LYS A 296 3.957 -1.967 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 296 6.934 -1.941 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.390 -2.957 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 296 4.521 -3.682 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 296 5.771 -3.176 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 296 6.582 -5.311 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 296 7.289 -4.641 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 296 5.133 -5.274 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 296 4.590 -6.091 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 5.836 -7.612 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 6.667 -7.385 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 7.193 -6.593 3.866 1.00 0.00 H new ATOM 506 N ALA A 297 6.169 -0.377 4.989 1.00 0.00 N ATOM 507 CA ALA A 297 6.336 0.181 6.359 1.00 0.00 C ATOM 508 C ALA A 297 5.075 0.945 6.769 1.00 0.00 C ATOM 509 O ALA A 297 4.337 0.524 7.638 1.00 0.00 O ATOM 510 CB ALA A 297 7.530 1.130 6.258 1.00 0.00 C ATOM 0 H ALA A 297 6.979 -0.277 4.377 1.00 0.00 H new ATOM 0 HA ALA A 297 6.497 -0.595 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 297 7.718 1.583 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 297 8.412 0.573 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 297 7.313 1.911 5.530 1.00 0.00 H new ATOM 516 N LYS A 298 4.821 2.064 6.148 1.00 0.00 N ATOM 517 CA LYS A 298 3.610 2.854 6.498 1.00 0.00 C ATOM 518 C LYS A 298 2.376 1.948 6.513 1.00 0.00 C ATOM 519 O LYS A 298 1.712 1.803 7.521 1.00 0.00 O ATOM 520 CB LYS A 298 3.491 3.906 5.395 1.00 0.00 C ATOM 521 CG LYS A 298 4.668 4.879 5.488 1.00 0.00 C ATOM 522 CD LYS A 298 4.489 5.782 6.710 1.00 0.00 C ATOM 523 CE LYS A 298 5.211 5.168 7.911 1.00 0.00 C ATOM 524 NZ LYS A 298 4.241 5.271 9.036 1.00 0.00 N ATOM 0 H LYS A 298 5.402 2.465 5.412 1.00 0.00 H new ATOM 0 HA LYS A 298 3.683 3.308 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 298 3.481 3.424 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 298 2.550 4.447 5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 298 5.605 4.327 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 298 4.727 5.482 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 298 4.887 6.775 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.429 5.903 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 298 5.485 4.130 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 298 6.133 5.705 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 4.591 4.723 9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 4.134 6.268 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 3.320 4.894 8.736 1.00 0.00 H new ATOM 538 N LEU A 299 2.064 1.338 5.402 1.00 0.00 N ATOM 539 CA LEU A 299 0.874 0.443 5.348 1.00 0.00 C ATOM 540 C LEU A 299 0.806 -0.425 6.608 1.00 0.00 C ATOM 541 O LEU A 299 -0.256 -0.837 7.032 1.00 0.00 O ATOM 542 CB LEU A 299 1.089 -0.426 4.109 1.00 0.00 C ATOM 543 CG LEU A 299 -0.039 -1.453 4.003 1.00 0.00 C ATOM 544 CD1 LEU A 299 -0.907 -1.135 2.784 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.560 -2.853 3.850 1.00 0.00 C ATOM 0 H LEU A 299 2.583 1.421 4.528 1.00 0.00 H new ATOM 0 HA LEU A 299 -0.061 1.001 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 299 1.113 0.197 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 299 2.052 -0.933 4.170 1.00 0.00 H new ATOM 0 HG LEU A 299 -0.651 -1.415 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -1.711 -1.867 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.333 -0.138 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -0.296 -1.173 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -0.243 -3.586 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 299 1.172 -2.891 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.179 -3.081 4.718 1.00 0.00 H new