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= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 280 MET CE :methyl -114:sc= -2.34 (180deg=-4.31!) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ -147:sc= -0.102 (180deg=-3.29!) USER MOD Single : A 291 THR OG1 : rot 108:sc= 0.189 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 3.867 2.121 -1.701 1.00 0.00 N ATOM 161 CA ILE A 276 2.477 1.616 -1.875 1.00 0.00 C ATOM 162 C ILE A 276 1.583 2.141 -0.749 1.00 0.00 C ATOM 163 O ILE A 276 0.451 2.524 -0.968 1.00 0.00 O ATOM 164 CB ILE A 276 2.596 0.093 -1.805 1.00 0.00 C ATOM 165 CG1 ILE A 276 3.162 -0.434 -3.126 1.00 0.00 C ATOM 166 CG2 ILE A 276 1.215 -0.518 -1.563 1.00 0.00 C ATOM 167 CD1 ILE A 276 4.649 -0.750 -2.957 1.00 0.00 C ATOM 0 HA ILE A 276 2.031 1.944 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 276 3.262 -0.182 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 276 2.622 -1.330 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 276 3.024 0.307 -3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 276 1.301 -1.603 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.811 -0.143 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.548 -0.244 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 276 5.051 -1.125 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 276 5.183 0.156 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 276 4.774 -1.506 -2.182 1.00 0.00 H new ATOM 179 N ARG A 277 2.085 2.164 0.456 1.00 0.00 N ATOM 180 CA ARG A 277 1.264 2.668 1.593 1.00 0.00 C ATOM 181 C ARG A 277 0.635 4.015 1.228 1.00 0.00 C ATOM 182 O ARG A 277 -0.569 4.175 1.251 1.00 0.00 O ATOM 183 CB ARG A 277 2.248 2.830 2.752 1.00 0.00 C ATOM 184 CG ARG A 277 1.610 2.309 4.042 1.00 0.00 C ATOM 185 CD ARG A 277 2.369 1.070 4.523 1.00 0.00 C ATOM 186 NE ARG A 277 3.419 1.596 5.439 1.00 0.00 N ATOM 187 CZ ARG A 277 3.084 2.143 6.577 1.00 0.00 C ATOM 188 NH1 ARG A 277 1.826 2.231 6.918 1.00 0.00 N ATOM 189 NH2 ARG A 277 4.008 2.602 7.376 1.00 0.00 N ATOM 0 H ARG A 277 3.026 1.856 0.702 1.00 0.00 H new ATOM 0 HA ARG A 277 0.447 1.993 1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 277 3.167 2.283 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 277 2.521 3.879 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 277 1.632 3.083 4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 277 0.563 2.062 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 277 1.706 0.376 5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 277 2.810 0.527 3.687 1.00 0.00 H new ATOM 0 HE ARG A 277 4.402 1.529 5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 277 1.102 1.872 6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 277 1.567 2.659 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 277 4.991 2.534 7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 277 3.747 3.029 8.265 1.00 0.00 H new ATOM 203 N LYS A 278 1.441 4.983 0.887 1.00 0.00 N ATOM 204 CA LYS A 278 0.889 6.315 0.517 1.00 0.00 C ATOM 205 C LYS A 278 -0.328 6.142 -0.395 1.00 0.00 C ATOM 206 O LYS A 278 -1.455 6.353 0.009 1.00 0.00 O ATOM 207 CB LYS A 278 2.022 7.022 -0.228 1.00 0.00 C ATOM 208 CG LYS A 278 2.269 8.393 0.404 1.00 0.00 C ATOM 209 CD LYS A 278 3.720 8.813 0.164 1.00 0.00 C ATOM 210 CE LYS A 278 4.326 9.323 1.473 1.00 0.00 C ATOM 211 NZ LYS A 278 5.675 8.695 1.543 1.00 0.00 N ATOM 0 H LYS A 278 2.458 4.908 0.849 1.00 0.00 H new ATOM 0 HA LYS A 278 0.559 6.883 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 278 2.930 6.421 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 278 1.764 7.136 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 278 1.590 9.130 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 278 2.063 8.354 1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 278 4.297 7.968 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 278 3.763 9.592 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 278 4.396 10.411 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 278 3.713 9.039 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 6.154 8.997 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 5.576 7.660 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 6.238 8.989 0.719 1.00 0.00 H new ATOM 225 N GLN A 279 -0.108 5.758 -1.623 1.00 0.00 N ATOM 226 CA GLN A 279 -1.250 5.568 -2.559 1.00 0.00 C ATOM 227 C GLN A 279 -2.392 4.838 -1.850 1.00 0.00 C ATOM 228 O GLN A 279 -3.537 5.241 -1.917 1.00 0.00 O ATOM 229 CB GLN A 279 -0.691 4.713 -3.697 1.00 0.00 C ATOM 230 CG GLN A 279 0.175 5.582 -4.611 1.00 0.00 C ATOM 231 CD GLN A 279 1.172 4.698 -5.362 1.00 0.00 C ATOM 232 OE1 GLN A 279 1.086 3.487 -5.311 1.00 0.00 O ATOM 233 NE2 GLN A 279 2.121 5.255 -6.064 1.00 0.00 N ATOM 0 H GLN A 279 0.813 5.568 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 279 -1.652 6.514 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.100 3.891 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -1.507 4.268 -4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -0.453 6.122 -5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 279 0.707 6.329 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 279 2.194 6.271 -6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 279 2.790 4.674 -6.569 1.00 0.00 H new ATOM 242 N MET A 280 -2.088 3.768 -1.167 1.00 0.00 N ATOM 243 CA MET A 280 -3.153 3.012 -0.450 1.00 0.00 C ATOM 244 C MET A 280 -3.840 3.917 0.574 1.00 0.00 C ATOM 245 O MET A 280 -5.045 4.073 0.563 1.00 0.00 O ATOM 246 CB MET A 280 -2.424 1.867 0.252 1.00 0.00 C ATOM 247 CG MET A 280 -2.707 0.555 -0.482 1.00 0.00 C ATOM 248 SD MET A 280 -3.495 -0.614 0.654 1.00 0.00 S ATOM 249 CE MET A 280 -2.071 -0.864 1.742 1.00 0.00 C ATOM 0 H MET A 280 -1.147 3.385 -1.075 1.00 0.00 H new ATOM 0 HA MET A 280 -3.927 2.647 -1.125 1.00 0.00 H new ATOM 0 HB2 MET A 280 -1.352 2.062 0.270 1.00 0.00 H new ATOM 0 HB3 MET A 280 -2.753 1.794 1.289 1.00 0.00 H new ATOM 0 HG2 MET A 280 -3.355 0.738 -1.340 1.00 0.00 H new ATOM 0 HG3 MET A 280 -1.779 0.134 -0.868 1.00 0.00 H new ATOM 0 HE1 MET A 280 -1.724 -1.894 1.656 1.00 0.00 H new ATOM 0 HE2 MET A 280 -1.269 -0.185 1.453 1.00 0.00 H new ATOM 0 HE3 MET A 280 -2.362 -0.664 2.773 1.00 0.00 H new ATOM 259 N ASP A 281 -3.082 4.514 1.455 1.00 0.00 N ATOM 260 CA ASP A 281 -3.690 5.412 2.481 1.00 0.00 C ATOM 261 C ASP A 281 -4.797 6.258 1.849 1.00 0.00 C ATOM 262 O ASP A 281 -5.955 6.140 2.196 1.00 0.00 O ATOM 263 CB ASP A 281 -2.542 6.301 2.959 1.00 0.00 C ATOM 264 CG ASP A 281 -2.779 6.702 4.416 1.00 0.00 C ATOM 265 OD1 ASP A 281 -3.703 7.461 4.657 1.00 0.00 O ATOM 266 OD2 ASP A 281 -2.033 6.244 5.265 1.00 0.00 O ATOM 0 H ASP A 281 -2.068 4.419 1.509 1.00 0.00 H new ATOM 0 HA ASP A 281 -4.143 4.856 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -1.594 5.770 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -2.472 7.190 2.333 1.00 0.00 H new ATOM 271 N ALA A 282 -4.451 7.106 0.919 1.00 0.00 N ATOM 272 CA ALA A 282 -5.486 7.949 0.265 1.00 0.00 C ATOM 273 C ALA A 282 -6.675 7.083 -0.156 1.00 0.00 C ATOM 274 O ALA A 282 -7.748 7.166 0.407 1.00 0.00 O ATOM 275 CB ALA A 282 -4.795 8.547 -0.961 1.00 0.00 C ATOM 0 H ALA A 282 -3.498 7.250 0.586 1.00 0.00 H new ATOM 0 HA ALA A 282 -5.873 8.722 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -5.496 9.185 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -3.937 9.139 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -4.458 7.744 -1.617 1.00 0.00 H new ATOM 281 N ALA A 283 -6.491 6.246 -1.141 1.00 0.00 N ATOM 282 CA ALA A 283 -7.608 5.371 -1.598 1.00 0.00 C ATOM 283 C ALA A 283 -8.305 4.728 -0.394 1.00 0.00 C ATOM 284 O ALA A 283 -9.469 4.385 -0.449 1.00 0.00 O ATOM 285 CB ALA A 283 -6.942 4.302 -2.465 1.00 0.00 C ATOM 0 H ALA A 283 -5.614 6.130 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 283 -8.370 5.926 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -7.700 3.615 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -6.434 4.778 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -6.216 3.750 -1.868 1.00 0.00 H new ATOM 291 N ALA A 284 -7.600 4.558 0.691 1.00 0.00 N ATOM 292 CA ALA A 284 -8.221 3.932 1.894 1.00 0.00 C ATOM 293 C ALA A 284 -9.062 4.954 2.666 1.00 0.00 C ATOM 294 O ALA A 284 -10.274 4.876 2.699 1.00 0.00 O ATOM 295 CB ALA A 284 -7.044 3.458 2.748 1.00 0.00 C ATOM 0 H ALA A 284 -6.621 4.825 0.797 1.00 0.00 H new ATOM 0 HA ALA A 284 -8.891 3.115 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -7.420 2.984 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -6.450 2.740 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -6.422 4.312 3.016 1.00 0.00 H new ATOM 301 N SER A 285 -8.427 5.904 3.298 1.00 0.00 N ATOM 302 CA SER A 285 -9.188 6.920 4.079 1.00 0.00 C ATOM 303 C SER A 285 -9.650 8.066 3.174 1.00 0.00 C ATOM 304 O SER A 285 -9.532 9.225 3.520 1.00 0.00 O ATOM 305 CB SER A 285 -8.201 7.431 5.127 1.00 0.00 C ATOM 306 OG SER A 285 -7.718 6.334 5.891 1.00 0.00 O ATOM 0 H SER A 285 -7.414 6.020 3.307 1.00 0.00 H new ATOM 0 HA SER A 285 -10.087 6.499 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 285 -7.371 7.945 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 285 -8.688 8.157 5.779 1.00 0.00 H new ATOM 0 HG SER A 285 -7.083 6.658 6.563 1.00 0.00 H new ATOM 312 N LYS A 286 -10.175 7.757 2.021 1.00 0.00 N ATOM 313 CA LYS A 286 -10.641 8.837 1.106 1.00 0.00 C ATOM 314 C LYS A 286 -12.021 8.502 0.534 1.00 0.00 C ATOM 315 O LYS A 286 -12.814 9.377 0.250 1.00 0.00 O ATOM 316 CB LYS A 286 -9.597 8.894 -0.009 1.00 0.00 C ATOM 317 CG LYS A 286 -9.962 10.003 -0.997 1.00 0.00 C ATOM 318 CD LYS A 286 -9.912 11.357 -0.287 1.00 0.00 C ATOM 319 CE LYS A 286 -11.329 11.786 0.099 1.00 0.00 C ATOM 320 NZ LYS A 286 -12.113 11.706 -1.165 1.00 0.00 N ATOM 0 H LYS A 286 -10.301 6.806 1.673 1.00 0.00 H new ATOM 0 HA LYS A 286 -10.740 9.792 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -8.609 9.080 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -9.548 7.935 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -9.270 9.996 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -10.959 9.830 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -9.286 11.290 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -9.460 12.104 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -11.745 11.131 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -11.338 12.797 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -12.844 12.446 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -11.478 11.844 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -12.565 10.772 -1.235 1.00 0.00 H new ATOM 334 N GLY A 287 -12.311 7.244 0.357 1.00 0.00 N ATOM 335 CA GLY A 287 -13.636 6.856 -0.202 1.00 0.00 C ATOM 336 C GLY A 287 -13.463 5.606 -1.062 1.00 0.00 C ATOM 337 O GLY A 287 -14.276 4.704 -1.036 1.00 0.00 O ATOM 0 H GLY A 287 -11.688 6.467 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -14.344 6.664 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -14.046 7.670 -0.799 1.00 0.00 H new ATOM 341 N ASP A 288 -12.401 5.542 -1.815 1.00 0.00 N ATOM 342 CA ASP A 288 -12.166 4.345 -2.668 1.00 0.00 C ATOM 343 C ASP A 288 -11.585 3.218 -1.815 1.00 0.00 C ATOM 344 O ASP A 288 -10.557 2.652 -2.128 1.00 0.00 O ATOM 345 CB ASP A 288 -11.159 4.798 -3.726 1.00 0.00 C ATOM 346 CG ASP A 288 -11.431 4.063 -5.040 1.00 0.00 C ATOM 347 OD1 ASP A 288 -11.094 2.894 -5.123 1.00 0.00 O ATOM 348 OD2 ASP A 288 -11.972 4.683 -5.941 1.00 0.00 O ATOM 0 H ASP A 288 -11.686 6.267 -1.876 1.00 0.00 H new ATOM 0 HA ASP A 288 -13.081 3.968 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -11.235 5.875 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -10.143 4.594 -3.387 1.00 0.00 H new ATOM 353 N VAL A 289 -12.236 2.896 -0.732 1.00 0.00 N ATOM 354 CA VAL A 289 -11.724 1.811 0.153 1.00 0.00 C ATOM 355 C VAL A 289 -11.674 0.486 -0.611 1.00 0.00 C ATOM 356 O VAL A 289 -10.924 -0.407 -0.273 1.00 0.00 O ATOM 357 CB VAL A 289 -12.720 1.736 1.310 1.00 0.00 C ATOM 358 CG1 VAL A 289 -12.119 0.907 2.446 1.00 0.00 C ATOM 359 CG2 VAL A 289 -13.018 3.150 1.819 1.00 0.00 C ATOM 0 H VAL A 289 -13.101 3.337 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 289 -10.712 2.008 0.506 1.00 0.00 H new ATOM 0 HB VAL A 289 -13.643 1.269 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -12.828 0.853 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -11.903 -0.099 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -11.197 1.376 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -13.728 3.098 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -12.094 3.615 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -13.444 3.745 1.011 1.00 0.00 H new ATOM 369 N GLU A 290 -12.460 0.351 -1.643 1.00 0.00 N ATOM 370 CA GLU A 290 -12.442 -0.913 -2.423 1.00 0.00 C ATOM 371 C GLU A 290 -11.001 -1.269 -2.789 1.00 0.00 C ATOM 372 O GLU A 290 -10.446 -2.238 -2.311 1.00 0.00 O ATOM 373 CB GLU A 290 -13.256 -0.609 -3.680 1.00 0.00 C ATOM 374 CG GLU A 290 -13.682 -1.921 -4.343 1.00 0.00 C ATOM 375 CD GLU A 290 -12.441 -2.715 -4.753 1.00 0.00 C ATOM 376 OE1 GLU A 290 -11.740 -2.263 -5.645 1.00 0.00 O ATOM 377 OE2 GLU A 290 -12.211 -3.760 -4.168 1.00 0.00 O ATOM 0 H GLU A 290 -13.112 1.061 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 290 -12.853 -1.757 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -14.135 -0.017 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -12.663 -0.014 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -14.290 -2.507 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -14.299 -1.715 -5.217 1.00 0.00 H new ATOM 384 N THR A 291 -10.391 -0.483 -3.632 1.00 0.00 N ATOM 385 CA THR A 291 -8.985 -0.759 -4.032 1.00 0.00 C ATOM 386 C THR A 291 -8.113 -0.955 -2.790 1.00 0.00 C ATOM 387 O THR A 291 -7.266 -1.825 -2.743 1.00 0.00 O ATOM 388 CB THR A 291 -8.545 0.485 -4.807 1.00 0.00 C ATOM 389 OG1 THR A 291 -9.267 0.559 -6.028 1.00 0.00 O ATOM 390 CG2 THR A 291 -7.047 0.403 -5.102 1.00 0.00 C ATOM 0 H THR A 291 -10.809 0.342 -4.062 1.00 0.00 H new ATOM 0 HA THR A 291 -8.894 -1.666 -4.630 1.00 0.00 H new ATOM 0 HB THR A 291 -8.746 1.375 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 291 -9.918 1.290 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 291 -6.736 1.290 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 291 -6.494 0.347 -4.164 1.00 0.00 H new ATOM 0 HG23 THR A 291 -6.842 -0.486 -5.698 1.00 0.00 H new ATOM 398 N TYR A 292 -8.317 -0.152 -1.782 1.00 0.00 N ATOM 399 CA TYR A 292 -7.505 -0.288 -0.540 1.00 0.00 C ATOM 400 C TYR A 292 -7.526 -1.739 -0.051 1.00 0.00 C ATOM 401 O TYR A 292 -6.507 -2.396 0.018 1.00 0.00 O ATOM 402 CB TYR A 292 -8.189 0.632 0.472 1.00 0.00 C ATOM 403 CG TYR A 292 -7.405 0.650 1.762 1.00 0.00 C ATOM 404 CD1 TYR A 292 -6.042 0.968 1.749 1.00 0.00 C ATOM 405 CD2 TYR A 292 -8.044 0.353 2.971 1.00 0.00 C ATOM 406 CE1 TYR A 292 -5.318 0.990 2.947 1.00 0.00 C ATOM 407 CE2 TYR A 292 -7.321 0.376 4.169 1.00 0.00 C ATOM 408 CZ TYR A 292 -5.958 0.694 4.157 1.00 0.00 C ATOM 409 OH TYR A 292 -5.244 0.717 5.338 1.00 0.00 O ATOM 0 H TYR A 292 -9.012 0.594 -1.765 1.00 0.00 H new ATOM 0 HA TYR A 292 -6.459 -0.023 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -8.263 1.641 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -9.206 0.288 0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -5.549 1.196 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -9.095 0.106 2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -4.266 1.235 2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -7.815 0.148 5.102 1.00 0.00 H new ATOM 0 HH TYR A 292 -5.838 0.489 6.084 1.00 0.00 H new ATOM 419 N ARG A 293 -8.681 -2.241 0.290 1.00 0.00 N ATOM 420 CA ARG A 293 -8.772 -3.645 0.776 1.00 0.00 C ATOM 421 C ARG A 293 -7.892 -4.567 -0.075 1.00 0.00 C ATOM 422 O ARG A 293 -6.917 -5.118 0.395 1.00 0.00 O ATOM 423 CB ARG A 293 -10.246 -4.021 0.623 1.00 0.00 C ATOM 424 CG ARG A 293 -10.524 -5.320 1.382 1.00 0.00 C ATOM 425 CD ARG A 293 -11.844 -5.193 2.147 1.00 0.00 C ATOM 426 NE ARG A 293 -11.479 -4.550 3.440 1.00 0.00 N ATOM 427 CZ ARG A 293 -12.371 -4.429 4.387 1.00 0.00 C ATOM 428 NH1 ARG A 293 -13.586 -4.870 4.205 1.00 0.00 N ATOM 429 NH2 ARG A 293 -12.046 -3.866 5.519 1.00 0.00 N ATOM 0 H ARG A 293 -9.567 -1.737 0.253 1.00 0.00 H new ATOM 0 HA ARG A 293 -8.427 -3.745 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -10.878 -3.221 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -10.493 -4.144 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -10.574 -6.157 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -9.709 -5.530 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -12.564 -4.589 1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -12.303 -6.169 2.307 1.00 0.00 H new ATOM 0 HE ARG A 293 -10.531 -4.203 3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -13.842 -5.311 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -14.280 -4.774 4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -11.097 -3.521 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -12.741 -3.771 6.259 1.00 0.00 H new ATOM 443 N LYS A 294 -8.232 -4.743 -1.323 1.00 0.00 N ATOM 444 CA LYS A 294 -7.420 -5.632 -2.200 1.00 0.00 C ATOM 445 C LYS A 294 -5.928 -5.385 -1.971 1.00 0.00 C ATOM 446 O LYS A 294 -5.236 -6.195 -1.384 1.00 0.00 O ATOM 447 CB LYS A 294 -7.815 -5.250 -3.626 1.00 0.00 C ATOM 448 CG LYS A 294 -9.281 -5.618 -3.866 1.00 0.00 C ATOM 449 CD LYS A 294 -9.651 -5.322 -5.320 1.00 0.00 C ATOM 450 CE LYS A 294 -10.175 -6.597 -5.984 1.00 0.00 C ATOM 451 NZ LYS A 294 -11.544 -6.250 -6.457 1.00 0.00 N ATOM 0 H LYS A 294 -9.038 -4.309 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 294 -7.600 -6.688 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -7.667 -4.181 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -7.177 -5.768 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -9.442 -6.673 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -9.924 -5.050 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -10.409 -4.540 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -8.780 -4.950 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -9.536 -6.901 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -10.200 -7.428 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -11.970 -7.076 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -12.131 -5.971 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -11.488 -5.461 -7.132 1.00 0.00 H new ATOM 465 N LEU A 295 -5.427 -4.272 -2.431 1.00 0.00 N ATOM 466 CA LEU A 295 -3.981 -3.973 -2.241 1.00 0.00 C ATOM 467 C LEU A 295 -3.552 -4.335 -0.818 1.00 0.00 C ATOM 468 O LEU A 295 -2.619 -5.085 -0.613 1.00 0.00 O ATOM 469 CB LEU A 295 -3.852 -2.468 -2.476 1.00 0.00 C ATOM 470 CG LEU A 295 -2.666 -2.197 -3.402 1.00 0.00 C ATOM 471 CD1 LEU A 295 -3.156 -1.499 -4.672 1.00 0.00 C ATOM 472 CD2 LEU A 295 -1.656 -1.298 -2.685 1.00 0.00 C ATOM 0 H LEU A 295 -5.957 -3.557 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 295 -3.347 -4.545 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -4.769 -2.078 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -3.711 -1.952 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 295 -2.191 -3.141 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -2.309 -1.306 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -3.876 -2.138 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -3.632 -0.555 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -0.810 -1.104 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -2.133 -0.355 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -1.305 -1.794 -1.780 1.00 0.00 H new ATOM 484 N LYS A 296 -4.229 -3.808 0.167 1.00 0.00 N ATOM 485 CA LYS A 296 -3.863 -4.122 1.575 1.00 0.00 C ATOM 486 C LYS A 296 -3.558 -5.615 1.718 1.00 0.00 C ATOM 487 O LYS A 296 -2.448 -6.005 2.023 1.00 0.00 O ATOM 488 CB LYS A 296 -5.095 -3.745 2.398 1.00 0.00 C ATOM 489 CG LYS A 296 -4.756 -2.569 3.315 1.00 0.00 C ATOM 490 CD LYS A 296 -4.704 -3.051 4.767 1.00 0.00 C ATOM 491 CE LYS A 296 -3.499 -2.421 5.470 1.00 0.00 C ATOM 492 NZ LYS A 296 -3.889 -2.345 6.906 1.00 0.00 N ATOM 0 H LYS A 296 -5.020 -3.173 0.055 1.00 0.00 H new ATOM 0 HA LYS A 296 -2.974 -3.582 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -5.919 -3.478 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -5.425 -4.598 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -3.797 -2.137 3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -5.504 -1.784 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -5.624 -2.779 5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -4.630 -4.138 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -2.602 -3.026 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -3.279 -1.432 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -3.113 -1.923 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -4.741 -1.757 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -4.085 -3.302 7.263 1.00 0.00 H new ATOM 506 N ALA A 297 -4.534 -6.453 1.499 1.00 0.00 N ATOM 507 CA ALA A 297 -4.301 -7.918 1.620 1.00 0.00 C ATOM 508 C ALA A 297 -2.967 -8.292 0.970 1.00 0.00 C ATOM 509 O ALA A 297 -2.047 -8.736 1.628 1.00 0.00 O ATOM 510 CB ALA A 297 -5.464 -8.568 0.871 1.00 0.00 C ATOM 0 H ALA A 297 -5.484 -6.185 1.241 1.00 0.00 H new ATOM 0 HA ALA A 297 -4.253 -8.246 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -5.364 -9.653 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -6.406 -8.271 1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -5.453 -8.244 -0.170 1.00 0.00 H new ATOM 516 N LYS A 298 -2.855 -8.115 -0.318 1.00 0.00 N ATOM 517 CA LYS A 298 -1.582 -8.459 -1.008 1.00 0.00 C ATOM 518 C LYS A 298 -0.388 -7.943 -0.201 1.00 0.00 C ATOM 519 O LYS A 298 0.471 -8.698 0.209 1.00 0.00 O ATOM 520 CB LYS A 298 -1.660 -7.753 -2.362 1.00 0.00 C ATOM 521 CG LYS A 298 -2.936 -8.181 -3.089 1.00 0.00 C ATOM 522 CD LYS A 298 -2.649 -8.321 -4.586 1.00 0.00 C ATOM 523 CE LYS A 298 -3.363 -7.203 -5.349 1.00 0.00 C ATOM 524 NZ LYS A 298 -4.665 -7.793 -5.768 1.00 0.00 N ATOM 0 H LYS A 298 -3.590 -7.747 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 298 -1.450 -9.535 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -1.654 -6.672 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -0.786 -8.001 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -3.296 -9.128 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -3.724 -7.446 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -1.575 -8.272 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -2.988 -9.293 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -3.512 -6.327 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -2.780 -6.879 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -5.212 -7.085 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -4.492 -8.621 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -5.201 -8.086 -4.926 1.00 0.00 H new ATOM 538 N LEU A 299 -0.329 -6.660 0.030 1.00 0.00 N ATOM 539 CA LEU A 299 0.806 -6.091 0.808 1.00 0.00 C ATOM 540 C LEU A 299 1.119 -6.974 2.019 1.00 0.00 C ATOM 541 O LEU A 299 2.176 -7.565 2.109 1.00 0.00 O ATOM 542 CB LEU A 299 0.323 -4.712 1.260 1.00 0.00 C ATOM 543 CG LEU A 299 1.416 -4.033 2.085 1.00 0.00 C ATOM 544 CD1 LEU A 299 2.405 -3.336 1.149 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.782 -2.998 3.018 1.00 0.00 C ATOM 0 H LEU A 299 -1.020 -5.980 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 299 1.720 -6.031 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.074 -4.100 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.587 -4.810 1.853 1.00 0.00 H new ATOM 0 HG LEU A 299 1.942 -4.783 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 299 3.184 -2.852 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 299 2.857 -4.072 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 299 1.879 -2.587 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 299 1.561 -2.513 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 299 0.255 -2.249 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 299 0.078 -3.494 3.686 1.00 0.00 H new