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=-0.006) USER MOD Single : A 280 MET CE :methyl -176:sc= -5.99! (180deg=-6.15!) USER MOD Single : A 285 SER OG : rot -60:sc= 1.13 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= -0.495 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+ -159:sc= -0.114 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 3.102 3.952 -0.294 1.00 0.00 N ATOM 161 CA ILE A 276 1.852 3.162 -0.456 1.00 0.00 C ATOM 162 C ILE A 276 0.929 3.391 0.742 1.00 0.00 C ATOM 163 O ILE A 276 -0.266 3.558 0.596 1.00 0.00 O ATOM 164 CB ILE A 276 2.307 1.703 -0.512 1.00 0.00 C ATOM 165 CG1 ILE A 276 3.127 1.473 -1.784 1.00 0.00 C ATOM 166 CG2 ILE A 276 1.083 0.787 -0.524 1.00 0.00 C ATOM 167 CD1 ILE A 276 3.694 0.052 -1.777 1.00 0.00 C ATOM 0 HA ILE A 276 1.295 3.447 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 276 2.920 1.480 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 276 2.502 1.622 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 276 3.938 2.199 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 276 1.407 -0.253 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.498 0.950 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.470 1.010 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 276 4.278 -0.111 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 276 4.334 -0.080 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 276 2.875 -0.666 -1.739 1.00 0.00 H new ATOM 179 N ARG A 277 1.475 3.403 1.928 1.00 0.00 N ATOM 180 CA ARG A 277 0.630 3.623 3.136 1.00 0.00 C ATOM 181 C ARG A 277 -0.341 4.781 2.893 1.00 0.00 C ATOM 182 O ARG A 277 -1.543 4.603 2.886 1.00 0.00 O ATOM 183 CB ARG A 277 1.615 3.974 4.251 1.00 0.00 C ATOM 184 CG ARG A 277 1.049 3.512 5.596 1.00 0.00 C ATOM 185 CD ARG A 277 1.701 2.187 5.997 1.00 0.00 C ATOM 186 NE ARG A 277 0.820 1.134 5.419 1.00 0.00 N ATOM 187 CZ ARG A 277 0.926 -0.103 5.823 1.00 0.00 C ATOM 188 NH1 ARG A 277 1.798 -0.423 6.741 1.00 0.00 N ATOM 189 NH2 ARG A 277 0.156 -1.023 5.309 1.00 0.00 N ATOM 0 H ARG A 277 2.469 3.270 2.112 1.00 0.00 H new ATOM 0 HA ARG A 277 0.029 2.749 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 277 2.577 3.495 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 277 1.792 5.049 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 277 1.236 4.267 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -0.032 3.391 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 277 2.715 2.112 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 277 1.770 2.093 7.081 1.00 0.00 H new ATOM 0 HE ARG A 277 0.133 1.380 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 277 2.400 0.295 7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 277 1.877 -1.391 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -0.527 -0.775 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 277 0.237 -1.990 5.623 1.00 0.00 H new ATOM 203 N LYS A 278 0.169 5.966 2.695 1.00 0.00 N ATOM 204 CA LYS A 278 -0.727 7.130 2.455 1.00 0.00 C ATOM 205 C LYS A 278 -1.849 6.740 1.489 1.00 0.00 C ATOM 206 O LYS A 278 -2.996 6.626 1.873 1.00 0.00 O ATOM 207 CB LYS A 278 0.171 8.204 1.838 1.00 0.00 C ATOM 208 CG LYS A 278 -0.376 9.589 2.189 1.00 0.00 C ATOM 209 CD LYS A 278 0.548 10.260 3.208 1.00 0.00 C ATOM 210 CE LYS A 278 0.802 11.710 2.790 1.00 0.00 C ATOM 211 NZ LYS A 278 -0.332 12.481 3.371 1.00 0.00 N ATOM 0 H LYS A 278 1.167 6.177 2.689 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.205 7.481 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 278 1.190 8.099 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 278 0.212 8.081 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -0.449 10.201 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -1.383 9.501 2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 278 0.096 10.230 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 278 1.492 9.718 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 278 1.759 12.069 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 278 0.832 11.809 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -0.229 13.487 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -1.229 12.122 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -0.331 12.374 4.405 1.00 0.00 H new ATOM 225 N GLN A 279 -1.530 6.529 0.240 1.00 0.00 N ATOM 226 CA GLN A 279 -2.583 6.142 -0.737 1.00 0.00 C ATOM 227 C GLN A 279 -3.491 5.076 -0.121 1.00 0.00 C ATOM 228 O GLN A 279 -4.700 5.204 -0.111 1.00 0.00 O ATOM 229 CB GLN A 279 -1.824 5.574 -1.937 1.00 0.00 C ATOM 230 CG GLN A 279 -2.706 5.659 -3.185 1.00 0.00 C ATOM 231 CD GLN A 279 -1.907 5.205 -4.407 1.00 0.00 C ATOM 232 OE1 GLN A 279 -0.886 5.780 -4.729 1.00 0.00 O ATOM 233 NE2 GLN A 279 -2.331 4.188 -5.108 1.00 0.00 N ATOM 0 H GLN A 279 -0.588 6.608 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 279 -3.217 6.981 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.900 6.131 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -1.544 4.538 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -3.590 5.033 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -3.057 6.681 -3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -3.188 3.705 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -1.805 3.877 -5.925 1.00 0.00 H new ATOM 242 N MET A 280 -2.914 4.029 0.401 1.00 0.00 N ATOM 243 CA MET A 280 -3.739 2.957 1.027 1.00 0.00 C ATOM 244 C MET A 280 -4.692 3.571 2.051 1.00 0.00 C ATOM 245 O MET A 280 -5.892 3.564 1.875 1.00 0.00 O ATOM 246 CB MET A 280 -2.733 2.037 1.717 1.00 0.00 C ATOM 247 CG MET A 280 -3.068 0.579 1.403 1.00 0.00 C ATOM 248 SD MET A 280 -2.190 -0.499 2.561 1.00 0.00 S ATOM 249 CE MET A 280 -0.514 -0.130 1.989 1.00 0.00 C ATOM 0 H MET A 280 -1.907 3.869 0.421 1.00 0.00 H new ATOM 0 HA MET A 280 -4.348 2.420 0.300 1.00 0.00 H new ATOM 0 HB2 MET A 280 -1.723 2.269 1.380 1.00 0.00 H new ATOM 0 HB3 MET A 280 -2.755 2.201 2.794 1.00 0.00 H new ATOM 0 HG2 MET A 280 -4.143 0.416 1.480 1.00 0.00 H new ATOM 0 HG3 MET A 280 -2.782 0.341 0.378 1.00 0.00 H new ATOM 0 HE1 MET A 280 0.200 -0.752 2.529 1.00 0.00 H new ATOM 0 HE2 MET A 280 -0.440 -0.337 0.921 1.00 0.00 H new ATOM 0 HE3 MET A 280 -0.290 0.921 2.171 1.00 0.00 H new ATOM 259 N ASP A 281 -4.164 4.106 3.118 1.00 0.00 N ATOM 260 CA ASP A 281 -5.034 4.727 4.157 1.00 0.00 C ATOM 261 C ASP A 281 -6.159 5.529 3.496 1.00 0.00 C ATOM 262 O ASP A 281 -7.324 5.343 3.787 1.00 0.00 O ATOM 263 CB ASP A 281 -4.106 5.656 4.939 1.00 0.00 C ATOM 264 CG ASP A 281 -4.558 5.719 6.399 1.00 0.00 C ATOM 265 OD1 ASP A 281 -5.564 6.358 6.659 1.00 0.00 O ATOM 266 OD2 ASP A 281 -3.891 5.128 7.231 1.00 0.00 O ATOM 0 H ASP A 281 -3.164 4.140 3.315 1.00 0.00 H new ATOM 0 HA ASP A 281 -5.508 3.984 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -3.079 5.295 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -4.119 6.654 4.500 1.00 0.00 H new ATOM 271 N ALA A 282 -5.813 6.422 2.611 1.00 0.00 N ATOM 272 CA ALA A 282 -6.850 7.245 1.928 1.00 0.00 C ATOM 273 C ALA A 282 -8.058 6.386 1.539 1.00 0.00 C ATOM 274 O ALA A 282 -9.175 6.659 1.930 1.00 0.00 O ATOM 275 CB ALA A 282 -6.158 7.791 0.679 1.00 0.00 C ATOM 0 H ALA A 282 -4.852 6.618 2.330 1.00 0.00 H new ATOM 0 HA ALA A 282 -7.229 8.039 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -6.857 8.411 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -5.297 8.391 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -5.826 6.961 0.055 1.00 0.00 H new ATOM 281 N ALA A 283 -7.848 5.357 0.763 1.00 0.00 N ATOM 282 CA ALA A 283 -8.989 4.494 0.342 1.00 0.00 C ATOM 283 C ALA A 283 -9.178 3.328 1.318 1.00 0.00 C ATOM 284 O ALA A 283 -10.137 2.586 1.232 1.00 0.00 O ATOM 285 CB ALA A 283 -8.599 3.974 -1.041 1.00 0.00 C ATOM 0 H ALA A 283 -6.936 5.077 0.402 1.00 0.00 H new ATOM 0 HA ALA A 283 -9.931 5.043 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -9.389 3.328 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -8.458 4.815 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -7.671 3.407 -0.968 1.00 0.00 H new ATOM 291 N ALA A 284 -8.270 3.153 2.237 1.00 0.00 N ATOM 292 CA ALA A 284 -8.396 2.029 3.207 1.00 0.00 C ATOM 293 C ALA A 284 -9.280 2.431 4.391 1.00 0.00 C ATOM 294 O ALA A 284 -10.411 2.003 4.507 1.00 0.00 O ATOM 295 CB ALA A 284 -6.968 1.752 3.676 1.00 0.00 C ATOM 0 H ALA A 284 -7.445 3.740 2.359 1.00 0.00 H new ATOM 0 HA ALA A 284 -8.860 1.151 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -6.974 0.934 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -6.351 1.478 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -6.560 2.646 4.147 1.00 0.00 H new ATOM 301 N SER A 285 -8.770 3.243 5.276 1.00 0.00 N ATOM 302 CA SER A 285 -9.577 3.662 6.456 1.00 0.00 C ATOM 303 C SER A 285 -10.468 4.855 6.100 1.00 0.00 C ATOM 304 O SER A 285 -10.562 5.814 6.841 1.00 0.00 O ATOM 305 CB SER A 285 -8.551 4.059 7.516 1.00 0.00 C ATOM 306 OG SER A 285 -9.201 4.786 8.550 1.00 0.00 O ATOM 0 H SER A 285 -7.829 3.634 5.233 1.00 0.00 H new ATOM 0 HA SER A 285 -10.238 2.868 6.803 1.00 0.00 H new ATOM 0 HB2 SER A 285 -8.072 3.170 7.926 1.00 0.00 H new ATOM 0 HB3 SER A 285 -7.764 4.666 7.068 1.00 0.00 H new ATOM 0 HG SER A 285 -9.616 5.590 8.174 1.00 0.00 H new ATOM 312 N LYS A 286 -11.121 4.806 4.972 1.00 0.00 N ATOM 313 CA LYS A 286 -12.002 5.937 4.573 1.00 0.00 C ATOM 314 C LYS A 286 -13.348 5.418 4.061 1.00 0.00 C ATOM 315 O LYS A 286 -14.370 6.056 4.217 1.00 0.00 O ATOM 316 CB LYS A 286 -11.244 6.655 3.456 1.00 0.00 C ATOM 317 CG LYS A 286 -12.115 7.775 2.885 1.00 0.00 C ATOM 318 CD LYS A 286 -12.273 7.580 1.376 1.00 0.00 C ATOM 319 CE LYS A 286 -13.336 8.544 0.845 1.00 0.00 C ATOM 320 NZ LYS A 286 -12.601 9.463 -0.068 1.00 0.00 N ATOM 0 H LYS A 286 -11.082 4.031 4.310 1.00 0.00 H new ATOM 0 HA LYS A 286 -12.221 6.599 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -10.311 7.066 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -10.980 5.948 2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -13.093 7.772 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -11.661 8.744 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -11.322 7.758 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -12.560 6.551 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -14.125 8.009 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -13.813 9.093 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -13.264 10.155 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -11.861 9.963 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -12.164 8.914 -0.835 1.00 0.00 H new ATOM 334 N GLY A 287 -13.356 4.269 3.448 1.00 0.00 N ATOM 335 CA GLY A 287 -14.633 3.713 2.921 1.00 0.00 C ATOM 336 C GLY A 287 -14.355 2.991 1.604 1.00 0.00 C ATOM 337 O GLY A 287 -14.842 1.905 1.363 1.00 0.00 O ATOM 0 H GLY A 287 -12.532 3.689 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.070 3.024 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -15.357 4.513 2.766 1.00 0.00 H new ATOM 341 N ASP A 288 -13.565 3.585 0.753 1.00 0.00 N ATOM 342 CA ASP A 288 -13.244 2.930 -0.546 1.00 0.00 C ATOM 343 C ASP A 288 -12.156 1.876 -0.334 1.00 0.00 C ATOM 344 O ASP A 288 -11.138 1.875 -0.996 1.00 0.00 O ATOM 345 CB ASP A 288 -12.736 4.057 -1.447 1.00 0.00 C ATOM 346 CG ASP A 288 -13.109 3.756 -2.899 1.00 0.00 C ATOM 347 OD1 ASP A 288 -13.502 2.633 -3.169 1.00 0.00 O ATOM 348 OD2 ASP A 288 -12.994 4.653 -3.718 1.00 0.00 O ATOM 0 H ASP A 288 -13.128 4.495 0.901 1.00 0.00 H new ATOM 0 HA ASP A 288 -14.104 2.424 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -13.171 5.008 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -11.655 4.155 -1.351 1.00 0.00 H new ATOM 353 N VAL A 289 -12.367 0.982 0.592 1.00 0.00 N ATOM 354 CA VAL A 289 -11.348 -0.073 0.860 1.00 0.00 C ATOM 355 C VAL A 289 -11.100 -0.906 -0.399 1.00 0.00 C ATOM 356 O VAL A 289 -10.140 -1.646 -0.485 1.00 0.00 O ATOM 357 CB VAL A 289 -11.951 -0.934 1.971 1.00 0.00 C ATOM 358 CG1 VAL A 289 -10.873 -1.853 2.547 1.00 0.00 C ATOM 359 CG2 VAL A 289 -12.490 -0.028 3.081 1.00 0.00 C ATOM 0 H VAL A 289 -13.202 0.936 1.176 1.00 0.00 H new ATOM 0 HA VAL A 289 -10.385 0.347 1.151 1.00 0.00 H new ATOM 0 HB VAL A 289 -12.763 -1.536 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -11.303 -2.466 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -10.485 -2.498 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -10.061 -1.251 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -12.920 -0.640 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -11.676 0.573 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -13.258 0.630 2.673 1.00 0.00 H new ATOM 369 N GLU A 290 -11.951 -0.790 -1.382 1.00 0.00 N ATOM 370 CA GLU A 290 -11.750 -1.572 -2.629 1.00 0.00 C ATOM 371 C GLU A 290 -10.287 -1.478 -3.062 1.00 0.00 C ATOM 372 O GLU A 290 -9.547 -2.440 -3.005 1.00 0.00 O ATOM 373 CB GLU A 290 -12.661 -0.906 -3.660 1.00 0.00 C ATOM 374 CG GLU A 290 -12.850 -1.840 -4.857 1.00 0.00 C ATOM 375 CD GLU A 290 -12.691 -1.046 -6.155 1.00 0.00 C ATOM 376 OE1 GLU A 290 -11.566 -0.715 -6.490 1.00 0.00 O ATOM 377 OE2 GLU A 290 -13.698 -0.782 -6.792 1.00 0.00 O ATOM 0 H GLU A 290 -12.774 -0.188 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 290 -11.983 -2.630 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -13.627 -0.674 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -12.227 0.038 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -12.119 -2.648 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -13.837 -2.302 -4.819 1.00 0.00 H new ATOM 384 N THR A 291 -9.865 -0.320 -3.487 1.00 0.00 N ATOM 385 CA THR A 291 -8.452 -0.151 -3.915 1.00 0.00 C ATOM 386 C THR A 291 -7.510 -0.665 -2.823 1.00 0.00 C ATOM 387 O THR A 291 -6.602 -1.430 -3.079 1.00 0.00 O ATOM 388 CB THR A 291 -8.278 1.356 -4.112 1.00 0.00 C ATOM 389 OG1 THR A 291 -8.893 1.745 -5.332 1.00 0.00 O ATOM 390 CG2 THR A 291 -6.790 1.702 -4.155 1.00 0.00 C ATOM 0 H THR A 291 -10.441 0.519 -3.556 1.00 0.00 H new ATOM 0 HA THR A 291 -8.221 -0.708 -4.823 1.00 0.00 H new ATOM 0 HB THR A 291 -8.745 1.887 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 291 -8.784 2.711 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 291 -6.670 2.776 -4.295 1.00 0.00 H new ATOM 0 HG22 THR A 291 -6.320 1.404 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 291 -6.317 1.173 -4.982 1.00 0.00 H new ATOM 398 N TYR A 292 -7.726 -0.250 -1.604 1.00 0.00 N ATOM 399 CA TYR A 292 -6.851 -0.712 -0.488 1.00 0.00 C ATOM 400 C TYR A 292 -6.595 -2.217 -0.608 1.00 0.00 C ATOM 401 O TYR A 292 -5.464 -2.661 -0.640 1.00 0.00 O ATOM 402 CB TYR A 292 -7.643 -0.394 0.784 1.00 0.00 C ATOM 403 CG TYR A 292 -6.922 -0.927 2.004 1.00 0.00 C ATOM 404 CD1 TYR A 292 -5.601 -1.389 1.907 1.00 0.00 C ATOM 405 CD2 TYR A 292 -7.581 -0.958 3.239 1.00 0.00 C ATOM 406 CE1 TYR A 292 -4.946 -1.880 3.042 1.00 0.00 C ATOM 407 CE2 TYR A 292 -6.924 -1.448 4.374 1.00 0.00 C ATOM 408 CZ TYR A 292 -5.607 -1.910 4.275 1.00 0.00 C ATOM 409 OH TYR A 292 -4.959 -2.393 5.394 1.00 0.00 O ATOM 0 H TYR A 292 -8.472 0.390 -1.332 1.00 0.00 H new ATOM 0 HA TYR A 292 -5.875 -0.227 -0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -7.778 0.684 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -8.638 -0.835 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -5.089 -1.366 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -8.598 -0.603 3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -3.929 -2.236 2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -7.434 -1.469 5.326 1.00 0.00 H new ATOM 0 HH TYR A 292 -5.559 -2.343 6.167 1.00 0.00 H new ATOM 419 N ARG A 293 -7.635 -3.004 -0.676 1.00 0.00 N ATOM 420 CA ARG A 293 -7.450 -4.478 -0.795 1.00 0.00 C ATOM 421 C ARG A 293 -6.310 -4.794 -1.768 1.00 0.00 C ATOM 422 O ARG A 293 -5.280 -5.309 -1.383 1.00 0.00 O ATOM 423 CB ARG A 293 -8.780 -5.001 -1.338 1.00 0.00 C ATOM 424 CG ARG A 293 -9.797 -5.091 -0.199 1.00 0.00 C ATOM 425 CD ARG A 293 -9.917 -6.544 0.267 1.00 0.00 C ATOM 426 NE ARG A 293 -10.742 -7.214 -0.776 1.00 0.00 N ATOM 427 CZ ARG A 293 -11.311 -8.364 -0.525 1.00 0.00 C ATOM 428 NH1 ARG A 293 -11.159 -8.931 0.641 1.00 0.00 N ATOM 429 NH2 ARG A 293 -12.032 -8.947 -1.443 1.00 0.00 N ATOM 0 H ARG A 293 -8.605 -2.689 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 293 -7.189 -4.939 0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -9.151 -4.338 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -8.639 -5.982 -1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -9.486 -4.457 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -10.767 -4.724 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -8.937 -7.012 0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -10.391 -6.607 1.246 1.00 0.00 H new ATOM 0 HE ARG A 293 -10.863 -6.775 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -10.595 -8.477 1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -11.604 -9.828 0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -12.151 -8.506 -2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -12.477 -9.844 -1.249 1.00 0.00 H new ATOM 443 N LYS A 294 -6.486 -4.487 -3.025 1.00 0.00 N ATOM 444 CA LYS A 294 -5.411 -4.767 -4.017 1.00 0.00 C ATOM 445 C LYS A 294 -4.046 -4.383 -3.438 1.00 0.00 C ATOM 446 O LYS A 294 -3.179 -5.217 -3.259 1.00 0.00 O ATOM 447 CB LYS A 294 -5.747 -3.891 -5.225 1.00 0.00 C ATOM 448 CG LYS A 294 -6.323 -4.762 -6.343 1.00 0.00 C ATOM 449 CD LYS A 294 -7.804 -4.430 -6.536 1.00 0.00 C ATOM 450 CE LYS A 294 -8.661 -5.511 -5.875 1.00 0.00 C ATOM 451 NZ LYS A 294 -9.603 -5.958 -6.938 1.00 0.00 N ATOM 0 H LYS A 294 -7.327 -4.055 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 294 -5.359 -5.823 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -6.466 -3.122 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -4.852 -3.377 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -5.777 -4.590 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -6.205 -5.817 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -8.029 -3.456 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -8.037 -4.366 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -8.047 -6.338 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -9.198 -5.117 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -10.225 -6.701 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -10.179 -5.151 -7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -9.064 -6.335 -7.744 1.00 0.00 H new ATOM 465 N LEU A 295 -3.849 -3.126 -3.144 1.00 0.00 N ATOM 466 CA LEU A 295 -2.544 -2.687 -2.577 1.00 0.00 C ATOM 467 C LEU A 295 -2.070 -3.682 -1.515 1.00 0.00 C ATOM 468 O LEU A 295 -1.001 -4.252 -1.618 1.00 0.00 O ATOM 469 CB LEU A 295 -2.826 -1.322 -1.949 1.00 0.00 C ATOM 470 CG LEU A 295 -2.925 -0.265 -3.050 1.00 0.00 C ATOM 471 CD1 LEU A 295 -3.491 1.030 -2.466 1.00 0.00 C ATOM 472 CD2 LEU A 295 -1.533 0.002 -3.626 1.00 0.00 C ATOM 0 H LEU A 295 -4.537 -2.384 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 295 -1.760 -2.633 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -3.754 -1.357 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -2.032 -1.061 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 295 -3.584 -0.625 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -3.561 1.783 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -4.483 0.841 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -2.833 1.391 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -1.602 0.755 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -0.875 0.362 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -1.129 -0.920 -4.043 1.00 0.00 H new ATOM 484 N LYS A 296 -2.857 -3.896 -0.495 1.00 0.00 N ATOM 485 CA LYS A 296 -2.453 -4.855 0.571 1.00 0.00 C ATOM 486 C LYS A 296 -1.841 -6.109 -0.056 1.00 0.00 C ATOM 487 O LYS A 296 -0.709 -6.460 0.214 1.00 0.00 O ATOM 488 CB LYS A 296 -3.748 -5.199 1.308 1.00 0.00 C ATOM 489 CG LYS A 296 -3.420 -5.985 2.578 1.00 0.00 C ATOM 490 CD LYS A 296 -4.710 -6.269 3.352 1.00 0.00 C ATOM 491 CE LYS A 296 -4.885 -5.222 4.455 1.00 0.00 C ATOM 492 NZ LYS A 296 -4.477 -5.913 5.709 1.00 0.00 N ATOM 0 H LYS A 296 -3.762 -3.448 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 296 -1.704 -4.436 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -4.288 -4.287 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -4.401 -5.787 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -2.924 -6.921 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -2.728 -5.418 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -5.565 -6.247 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -4.673 -7.268 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -4.266 -4.345 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -5.917 -4.877 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -4.570 -5.259 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -5.088 -6.740 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -3.488 -6.224 5.628 1.00 0.00 H new ATOM 506 N ALA A 297 -2.580 -6.787 -0.892 1.00 0.00 N ATOM 507 CA ALA A 297 -2.041 -8.016 -1.537 1.00 0.00 C ATOM 508 C ALA A 297 -0.596 -7.783 -1.987 1.00 0.00 C ATOM 509 O ALA A 297 0.316 -8.456 -1.549 1.00 0.00 O ATOM 510 CB ALA A 297 -2.946 -8.261 -2.745 1.00 0.00 C ATOM 0 H ALA A 297 -3.534 -6.542 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 297 -2.030 -8.869 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -2.612 -9.153 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -3.973 -8.402 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -2.899 -7.402 -3.415 1.00 0.00 H new ATOM 516 N LYS A 298 -0.383 -6.833 -2.859 1.00 0.00 N ATOM 517 CA LYS A 298 1.001 -6.556 -3.337 1.00 0.00 C ATOM 518 C LYS A 298 1.984 -6.610 -2.164 1.00 0.00 C ATOM 519 O LYS A 298 2.855 -7.456 -2.110 1.00 0.00 O ATOM 520 CB LYS A 298 0.945 -5.144 -3.924 1.00 0.00 C ATOM 521 CG LYS A 298 1.929 -5.038 -5.091 1.00 0.00 C ATOM 522 CD LYS A 298 2.748 -3.752 -4.955 1.00 0.00 C ATOM 523 CE LYS A 298 3.910 -3.986 -3.987 1.00 0.00 C ATOM 524 NZ LYS A 298 3.595 -3.145 -2.799 1.00 0.00 N ATOM 0 H LYS A 298 -1.108 -6.238 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 298 1.338 -7.288 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -0.066 -4.920 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 298 1.193 -4.410 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 298 2.591 -5.904 -5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 298 1.388 -5.039 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 298 3.129 -3.446 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.115 -2.942 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 298 3.992 -5.038 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 298 4.861 -3.697 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 4.467 -2.963 -2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 3.186 -2.242 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 2.912 -3.643 -2.192 1.00 0.00 H new ATOM 538 N LEU A 299 1.848 -5.714 -1.224 1.00 0.00 N ATOM 539 CA LEU A 299 2.770 -5.715 -0.055 1.00 0.00 C ATOM 540 C LEU A 299 2.996 -7.146 0.437 1.00 0.00 C ATOM 541 O LEU A 299 4.112 -7.621 0.503 1.00 0.00 O ATOM 542 CB LEU A 299 2.055 -4.886 1.013 1.00 0.00 C ATOM 543 CG LEU A 299 2.882 -3.640 1.332 1.00 0.00 C ATOM 544 CD1 LEU A 299 2.183 -2.403 0.767 1.00 0.00 C ATOM 545 CD2 LEU A 299 3.022 -3.498 2.850 1.00 0.00 C ATOM 0 H LEU A 299 1.138 -4.982 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 299 3.750 -5.305 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 299 1.064 -4.597 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.912 -5.481 1.915 1.00 0.00 H new ATOM 0 HG LEU A 299 3.870 -3.735 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 299 2.773 -1.516 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 299 2.082 -2.504 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 299 1.195 -2.307 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 299 3.611 -2.610 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 299 2.033 -3.403 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 299 3.521 -4.379 3.253 1.00 0.00 H new