USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=4 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= -0.145 X(o=-0.15,f=-0.2) USER MOD Single : A 280 MET CE :methyl -136:sc= -3.32 (180deg=-5.31!) USER MOD Single : A 285 SER OG : rot 180:sc= 0.152 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 113:sc= 0.272 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 -2.962 -1.475 -1.941 1.00 0.00 N ATOM 161 CA ILE A 276 -1.583 -1.066 -1.572 1.00 0.00 C ATOM 162 C ILE A 276 -1.086 -1.876 -0.370 1.00 0.00 C ATOM 163 O ILE A 276 0.097 -2.104 -0.212 1.00 0.00 O ATOM 164 CB ILE A 276 -1.691 0.416 -1.217 1.00 0.00 C ATOM 165 CG1 ILE A 276 -2.115 1.205 -2.459 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.333 0.926 -0.730 1.00 0.00 C ATOM 167 CD1 ILE A 276 -3.336 2.065 -2.128 1.00 0.00 C ATOM 0 HA ILE A 276 -0.873 -1.241 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.432 0.548 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -1.294 1.836 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -2.350 0.521 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -0.411 1.983 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.028 0.363 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.409 0.795 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -3.637 2.626 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -4.157 1.423 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -3.085 2.759 -1.326 1.00 0.00 H new ATOM 179 N ARG A 277 -1.977 -2.315 0.477 1.00 0.00 N ATOM 180 CA ARG A 277 -1.543 -3.111 1.662 1.00 0.00 C ATOM 181 C ARG A 277 -0.824 -4.381 1.200 1.00 0.00 C ATOM 182 O ARG A 277 0.359 -4.551 1.418 1.00 0.00 O ATOM 183 CB ARG A 277 -2.831 -3.468 2.410 1.00 0.00 C ATOM 184 CG ARG A 277 -3.588 -2.189 2.779 1.00 0.00 C ATOM 185 CD ARG A 277 -2.732 -1.343 3.724 1.00 0.00 C ATOM 186 NE ARG A 277 -3.467 -1.354 5.020 1.00 0.00 N ATOM 187 CZ ARG A 277 -2.850 -1.038 6.127 1.00 0.00 C ATOM 188 NH1 ARG A 277 -1.586 -0.711 6.105 1.00 0.00 N ATOM 189 NH2 ARG A 277 -3.500 -1.048 7.259 1.00 0.00 N ATOM 0 H ARG A 277 -2.982 -2.158 0.401 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.851 -2.558 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -3.459 -4.106 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -2.594 -4.034 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -3.824 -1.621 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -4.536 -2.439 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -1.732 -1.762 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.612 -0.328 3.346 1.00 0.00 H new ATOM 0 HE ARG A 277 -4.454 -1.609 5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -1.077 -0.702 5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -1.108 -0.465 6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -4.488 -1.302 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -3.020 -0.802 8.125 1.00 0.00 H new ATOM 203 N LYS A 278 -1.530 -5.272 0.559 1.00 0.00 N ATOM 204 CA LYS A 278 -0.889 -6.526 0.080 1.00 0.00 C ATOM 205 C LYS A 278 0.458 -6.212 -0.574 1.00 0.00 C ATOM 206 O LYS A 278 1.500 -6.629 -0.106 1.00 0.00 O ATOM 207 CB LYS A 278 -1.863 -7.101 -0.949 1.00 0.00 C ATOM 208 CG LYS A 278 -2.450 -8.412 -0.422 1.00 0.00 C ATOM 209 CD LYS A 278 -3.756 -8.719 -1.156 1.00 0.00 C ATOM 210 CE LYS A 278 -3.906 -10.233 -1.321 1.00 0.00 C ATOM 211 NZ LYS A 278 -5.374 -10.480 -1.276 1.00 0.00 N ATOM 0 H LYS A 278 -2.524 -5.184 0.347 1.00 0.00 H new ATOM 0 HA LYS A 278 -0.694 -7.227 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.662 -6.387 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.349 -7.275 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -1.739 -9.225 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -2.632 -8.336 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -4.602 -8.318 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -3.759 -8.234 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -3.477 -10.572 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -3.390 -10.770 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -5.558 -11.498 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -5.753 -10.153 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -5.837 -9.961 -2.049 1.00 0.00 H new ATOM 225 N GLN A 279 0.445 -5.480 -1.655 1.00 0.00 N ATOM 226 CA GLN A 279 1.721 -5.139 -2.341 1.00 0.00 C ATOM 227 C GLN A 279 2.755 -4.652 -1.323 1.00 0.00 C ATOM 228 O GLN A 279 3.818 -5.223 -1.181 1.00 0.00 O ATOM 229 CB GLN A 279 1.360 -4.017 -3.316 1.00 0.00 C ATOM 230 CG GLN A 279 2.103 -4.228 -4.636 1.00 0.00 C ATOM 231 CD GLN A 279 3.609 -4.095 -4.401 1.00 0.00 C ATOM 232 OE1 GLN A 279 4.071 -3.089 -3.901 1.00 0.00 O ATOM 233 NE2 GLN A 279 4.400 -5.075 -4.743 1.00 0.00 N ATOM 0 H GLN A 279 -0.396 -5.104 -2.092 1.00 0.00 H new ATOM 0 HA GLN A 279 2.157 -5.998 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 279 0.284 -4.005 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 279 1.625 -3.050 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 279 1.873 -5.213 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 279 1.773 -3.495 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 279 4.013 -5.920 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 279 5.405 -4.996 -4.590 1.00 0.00 H new ATOM 242 N MET A 280 2.450 -3.601 -0.614 1.00 0.00 N ATOM 243 CA MET A 280 3.414 -3.077 0.395 1.00 0.00 C ATOM 244 C MET A 280 3.869 -4.201 1.328 1.00 0.00 C ATOM 245 O MET A 280 4.996 -4.228 1.773 1.00 0.00 O ATOM 246 CB MET A 280 2.635 -2.014 1.172 1.00 0.00 C ATOM 247 CG MET A 280 2.705 -0.680 0.424 1.00 0.00 C ATOM 248 SD MET A 280 2.502 0.683 1.598 1.00 0.00 S ATOM 249 CE MET A 280 1.050 0.029 2.458 1.00 0.00 C ATOM 0 H MET A 280 1.575 -3.082 -0.689 1.00 0.00 H new ATOM 0 HA MET A 280 4.313 -2.667 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 280 1.596 -2.323 1.290 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.050 -1.903 2.174 1.00 0.00 H new ATOM 0 HG2 MET A 280 3.661 -0.590 -0.092 1.00 0.00 H new ATOM 0 HG3 MET A 280 1.926 -0.637 -0.338 1.00 0.00 H new ATOM 0 HE1 MET A 280 0.324 0.828 2.606 1.00 0.00 H new ATOM 0 HE2 MET A 280 0.600 -0.764 1.861 1.00 0.00 H new ATOM 0 HE3 MET A 280 1.350 -0.372 3.426 1.00 0.00 H new ATOM 259 N ASP A 281 3.004 -5.129 1.628 1.00 0.00 N ATOM 260 CA ASP A 281 3.399 -6.247 2.534 1.00 0.00 C ATOM 261 C ASP A 281 4.538 -7.060 1.910 1.00 0.00 C ATOM 262 O ASP A 281 5.669 -7.001 2.350 1.00 0.00 O ATOM 263 CB ASP A 281 2.142 -7.105 2.681 1.00 0.00 C ATOM 264 CG ASP A 281 1.981 -7.527 4.143 1.00 0.00 C ATOM 265 OD1 ASP A 281 1.519 -6.714 4.927 1.00 0.00 O ATOM 266 OD2 ASP A 281 2.322 -8.656 4.453 1.00 0.00 O ATOM 0 H ASP A 281 2.043 -5.163 1.287 1.00 0.00 H new ATOM 0 HA ASP A 281 3.759 -5.887 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 281 1.266 -6.545 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 281 2.213 -7.986 2.043 1.00 0.00 H new ATOM 271 N ALA A 282 4.245 -7.824 0.892 1.00 0.00 N ATOM 272 CA ALA A 282 5.303 -8.647 0.242 1.00 0.00 C ATOM 273 C ALA A 282 6.509 -7.779 -0.134 1.00 0.00 C ATOM 274 O ALA A 282 7.600 -8.273 -0.335 1.00 0.00 O ATOM 275 CB ALA A 282 4.644 -9.221 -1.012 1.00 0.00 C ATOM 0 H ALA A 282 3.315 -7.913 0.482 1.00 0.00 H new ATOM 0 HA ALA A 282 5.676 -9.429 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 282 5.362 -9.842 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 282 3.783 -9.826 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 282 4.317 -8.405 -1.657 1.00 0.00 H new ATOM 281 N ALA A 283 6.322 -6.491 -0.234 1.00 0.00 N ATOM 282 CA ALA A 283 7.459 -5.600 -0.600 1.00 0.00 C ATOM 283 C ALA A 283 8.052 -4.950 0.654 1.00 0.00 C ATOM 284 O ALA A 283 9.138 -4.407 0.628 1.00 0.00 O ATOM 285 CB ALA A 283 6.851 -4.540 -1.519 1.00 0.00 C ATOM 0 H ALA A 283 5.432 -6.018 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 283 8.269 -6.144 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 283 7.627 -3.843 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 283 6.420 -5.023 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 283 6.072 -3.998 -0.983 1.00 0.00 H new ATOM 291 N ALA A 284 7.345 -4.997 1.749 1.00 0.00 N ATOM 292 CA ALA A 284 7.865 -4.378 3.000 1.00 0.00 C ATOM 293 C ALA A 284 8.562 -5.427 3.870 1.00 0.00 C ATOM 294 O ALA A 284 9.761 -5.390 4.063 1.00 0.00 O ATOM 295 CB ALA A 284 6.630 -3.831 3.715 1.00 0.00 C ATOM 0 H ALA A 284 6.429 -5.438 1.831 1.00 0.00 H new ATOM 0 HA ALA A 284 8.600 -3.600 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 284 6.931 -3.357 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 284 6.136 -3.097 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 284 5.941 -4.648 3.928 1.00 0.00 H new ATOM 301 N SER A 285 7.818 -6.356 4.404 1.00 0.00 N ATOM 302 CA SER A 285 8.437 -7.400 5.268 1.00 0.00 C ATOM 303 C SER A 285 8.977 -8.550 4.416 1.00 0.00 C ATOM 304 O SER A 285 8.766 -9.709 4.715 1.00 0.00 O ATOM 305 CB SER A 285 7.307 -7.887 6.173 1.00 0.00 C ATOM 306 OG SER A 285 6.061 -7.687 5.519 1.00 0.00 O ATOM 0 H SER A 285 6.809 -6.437 4.279 1.00 0.00 H new ATOM 0 HA SER A 285 9.280 -7.011 5.840 1.00 0.00 H new ATOM 0 HB2 SER A 285 7.443 -8.943 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 285 7.325 -7.346 7.119 1.00 0.00 H new ATOM 0 HG SER A 285 5.334 -8.000 6.097 1.00 0.00 H new ATOM 312 N LYS A 286 9.671 -8.242 3.356 1.00 0.00 N ATOM 313 CA LYS A 286 10.221 -9.320 2.488 1.00 0.00 C ATOM 314 C LYS A 286 11.665 -9.004 2.090 1.00 0.00 C ATOM 315 O LYS A 286 12.483 -9.889 1.936 1.00 0.00 O ATOM 316 CB LYS A 286 9.316 -9.339 1.256 1.00 0.00 C ATOM 317 CG LYS A 286 9.414 -10.703 0.570 1.00 0.00 C ATOM 318 CD LYS A 286 8.356 -11.644 1.148 1.00 0.00 C ATOM 319 CE LYS A 286 8.481 -13.021 0.491 1.00 0.00 C ATOM 320 NZ LYS A 286 7.119 -13.324 -0.028 1.00 0.00 N ATOM 0 H LYS A 286 9.881 -7.291 3.053 1.00 0.00 H new ATOM 0 HA LYS A 286 10.240 -10.284 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 286 8.285 -9.140 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 286 9.610 -8.550 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 286 9.269 -10.592 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 286 10.409 -11.124 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 286 8.483 -11.732 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 286 7.360 -11.237 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 286 9.217 -13.009 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 286 8.806 -13.773 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 7.124 -14.254 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 6.441 -13.335 0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 6.839 -12.595 -0.715 1.00 0.00 H new ATOM 334 N GLY A 287 11.982 -7.753 1.920 1.00 0.00 N ATOM 335 CA GLY A 287 13.370 -7.381 1.528 1.00 0.00 C ATOM 336 C GLY A 287 13.323 -6.114 0.679 1.00 0.00 C ATOM 337 O GLY A 287 14.163 -5.244 0.793 1.00 0.00 O ATOM 0 H GLY A 287 11.339 -6.969 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 287 13.981 -7.217 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 287 13.833 -8.193 0.968 1.00 0.00 H new ATOM 341 N ASP A 288 12.337 -5.999 -0.167 1.00 0.00 N ATOM 342 CA ASP A 288 12.224 -4.783 -1.018 1.00 0.00 C ATOM 343 C ASP A 288 11.600 -3.647 -0.208 1.00 0.00 C ATOM 344 O ASP A 288 10.634 -3.033 -0.617 1.00 0.00 O ATOM 345 CB ASP A 288 11.310 -5.187 -2.174 1.00 0.00 C ATOM 346 CG ASP A 288 11.613 -4.315 -3.394 1.00 0.00 C ATOM 347 OD1 ASP A 288 11.018 -3.255 -3.502 1.00 0.00 O ATOM 348 OD2 ASP A 288 12.435 -4.721 -4.198 1.00 0.00 O ATOM 0 H ASP A 288 11.605 -6.695 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 288 13.191 -4.432 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.460 -6.238 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 288 10.266 -5.073 -1.883 1.00 0.00 H new ATOM 353 N VAL A 289 12.145 -3.368 0.943 1.00 0.00 N ATOM 354 CA VAL A 289 11.585 -2.276 1.789 1.00 0.00 C ATOM 355 C VAL A 289 11.684 -0.939 1.052 1.00 0.00 C ATOM 356 O VAL A 289 10.921 -0.026 1.298 1.00 0.00 O ATOM 357 CB VAL A 289 12.447 -2.268 3.052 1.00 0.00 C ATOM 358 CG1 VAL A 289 11.756 -1.440 4.137 1.00 0.00 C ATOM 359 CG2 VAL A 289 12.631 -3.704 3.554 1.00 0.00 C ATOM 0 H VAL A 289 12.955 -3.849 1.335 1.00 0.00 H new ATOM 0 HA VAL A 289 10.532 -2.430 2.023 1.00 0.00 H new ATOM 0 HB VAL A 289 13.420 -1.832 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 289 12.371 -1.434 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.621 -0.418 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 289 10.784 -1.877 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 289 13.245 -3.699 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 289 11.657 -4.137 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 289 13.122 -4.299 2.783 1.00 0.00 H new ATOM 369 N GLU A 290 12.613 -0.817 0.144 1.00 0.00 N ATOM 370 CA GLU A 290 12.746 0.456 -0.609 1.00 0.00 C ATOM 371 C GLU A 290 11.376 0.889 -1.131 1.00 0.00 C ATOM 372 O GLU A 290 10.813 1.873 -0.694 1.00 0.00 O ATOM 373 CB GLU A 290 13.684 0.131 -1.770 1.00 0.00 C ATOM 374 CG GLU A 290 14.215 1.430 -2.379 1.00 0.00 C ATOM 375 CD GLU A 290 15.381 1.115 -3.317 1.00 0.00 C ATOM 376 OE1 GLU A 290 15.436 0.000 -3.807 1.00 0.00 O ATOM 377 OE2 GLU A 290 16.200 1.995 -3.528 1.00 0.00 O ATOM 0 H GLU A 290 13.283 -1.544 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 290 13.130 1.270 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 290 14.513 -0.484 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 290 13.155 -0.448 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 290 13.421 1.938 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 290 14.542 2.107 -1.590 1.00 0.00 H new ATOM 384 N THR A 291 10.836 0.153 -2.062 1.00 0.00 N ATOM 385 CA THR A 291 9.503 0.507 -2.616 1.00 0.00 C ATOM 386 C THR A 291 8.485 0.660 -1.483 1.00 0.00 C ATOM 387 O THR A 291 7.686 1.576 -1.471 1.00 0.00 O ATOM 388 CB THR A 291 9.124 -0.667 -3.521 1.00 0.00 C ATOM 389 OG1 THR A 291 9.998 -0.702 -4.641 1.00 0.00 O ATOM 390 CG2 THR A 291 7.682 -0.498 -4.001 1.00 0.00 C ATOM 0 H THR A 291 11.264 -0.681 -2.463 1.00 0.00 H new ATOM 0 HA THR A 291 9.520 1.452 -3.160 1.00 0.00 H new ATOM 0 HB THR A 291 9.212 -1.599 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 291 10.558 -1.505 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 291 7.413 -1.335 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 291 7.013 -0.473 -3.141 1.00 0.00 H new ATOM 0 HG23 THR A 291 7.591 0.434 -4.559 1.00 0.00 H new ATOM 398 N TYR A 292 8.508 -0.232 -0.530 1.00 0.00 N ATOM 399 CA TYR A 292 7.543 -0.141 0.604 1.00 0.00 C ATOM 400 C TYR A 292 7.515 1.283 1.161 1.00 0.00 C ATOM 401 O TYR A 292 6.488 1.932 1.181 1.00 0.00 O ATOM 402 CB TYR A 292 8.078 -1.119 1.651 1.00 0.00 C ATOM 403 CG TYR A 292 7.236 -1.036 2.901 1.00 0.00 C ATOM 404 CD1 TYR A 292 5.861 -0.791 2.806 1.00 0.00 C ATOM 405 CD2 TYR A 292 7.831 -1.212 4.156 1.00 0.00 C ATOM 406 CE1 TYR A 292 5.081 -0.721 3.966 1.00 0.00 C ATOM 407 CE2 TYR A 292 7.052 -1.141 5.316 1.00 0.00 C ATOM 408 CZ TYR A 292 5.677 -0.896 5.222 1.00 0.00 C ATOM 409 OH TYR A 292 4.908 -0.828 6.365 1.00 0.00 O ATOM 0 H TYR A 292 9.154 -1.020 -0.487 1.00 0.00 H new ATOM 0 HA TYR A 292 6.523 -0.381 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 292 8.061 -2.135 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.117 -0.885 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.402 -0.656 1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 292 8.892 -1.403 4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 292 4.020 -0.532 3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 292 7.512 -1.275 6.284 1.00 0.00 H new ATOM 0 HH TYR A 292 5.476 -0.972 7.150 1.00 0.00 H new ATOM 419 N ARG A 293 8.636 1.774 1.615 1.00 0.00 N ATOM 420 CA ARG A 293 8.677 3.154 2.172 1.00 0.00 C ATOM 421 C ARG A 293 7.855 4.105 1.296 1.00 0.00 C ATOM 422 O ARG A 293 6.859 4.652 1.724 1.00 0.00 O ATOM 423 CB ARG A 293 10.156 3.545 2.150 1.00 0.00 C ATOM 424 CG ARG A 293 10.630 3.833 3.576 1.00 0.00 C ATOM 425 CD ARG A 293 12.145 4.049 3.578 1.00 0.00 C ATOM 426 NE ARG A 293 12.350 5.334 4.304 1.00 0.00 N ATOM 427 CZ ARG A 293 12.134 5.403 5.590 1.00 0.00 C ATOM 428 NH1 ARG A 293 11.728 4.350 6.247 1.00 0.00 N ATOM 429 NH2 ARG A 293 12.322 6.530 6.221 1.00 0.00 N ATOM 0 H ARG A 293 9.527 1.277 1.624 1.00 0.00 H new ATOM 0 HA ARG A 293 8.256 3.207 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.749 2.741 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.301 4.425 1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 293 10.126 4.717 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.370 3.002 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.660 3.228 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.537 4.102 2.563 1.00 0.00 H new ATOM 0 HE ARG A 293 12.660 6.162 3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 293 11.578 3.469 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 293 11.561 4.409 7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 293 12.637 7.354 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 293 12.154 6.586 7.225 1.00 0.00 H new ATOM 443 N LYS A 294 8.267 4.306 0.074 1.00 0.00 N ATOM 444 CA LYS A 294 7.512 5.221 -0.826 1.00 0.00 C ATOM 445 C LYS A 294 6.009 4.948 -0.724 1.00 0.00 C ATOM 446 O LYS A 294 5.258 5.749 -0.203 1.00 0.00 O ATOM 447 CB LYS A 294 8.022 4.903 -2.232 1.00 0.00 C ATOM 448 CG LYS A 294 9.406 5.527 -2.425 1.00 0.00 C ATOM 449 CD LYS A 294 10.002 5.047 -3.749 1.00 0.00 C ATOM 450 CE LYS A 294 9.497 5.935 -4.888 1.00 0.00 C ATOM 451 NZ LYS A 294 9.009 4.986 -5.927 1.00 0.00 N ATOM 0 H LYS A 294 9.094 3.876 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 294 7.660 6.269 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 294 8.074 3.824 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.329 5.291 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 294 9.330 6.614 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 294 10.060 5.250 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 294 11.091 5.080 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 294 9.722 4.009 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 294 8.698 6.595 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 294 10.293 6.570 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 8.646 5.520 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 9.792 4.375 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 8.247 4.399 -5.531 1.00 0.00 H new ATOM 465 N LEU A 295 5.566 3.824 -1.220 1.00 0.00 N ATOM 466 CA LEU A 295 4.113 3.499 -1.155 1.00 0.00 C ATOM 467 C LEU A 295 3.543 3.893 0.210 1.00 0.00 C ATOM 468 O LEU A 295 2.632 4.691 0.305 1.00 0.00 O ATOM 469 CB LEU A 295 4.037 1.984 -1.347 1.00 0.00 C ATOM 470 CG LEU A 295 3.773 1.666 -2.819 1.00 0.00 C ATOM 471 CD1 LEU A 295 5.088 1.724 -3.598 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.174 0.262 -2.937 1.00 0.00 C ATOM 0 H LEU A 295 6.149 3.117 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 295 3.537 4.036 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.969 1.519 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.243 1.568 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 295 3.075 2.396 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 295 4.900 1.497 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 295 5.517 2.722 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 295 5.786 0.994 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 295 2.985 0.034 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 295 3.873 -0.467 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 295 2.237 0.218 -2.382 1.00 0.00 H new ATOM 484 N LYS A 296 4.075 3.339 1.265 1.00 0.00 N ATOM 485 CA LYS A 296 3.569 3.679 2.623 1.00 0.00 C ATOM 486 C LYS A 296 3.310 5.184 2.729 1.00 0.00 C ATOM 487 O LYS A 296 2.196 5.619 2.944 1.00 0.00 O ATOM 488 CB LYS A 296 4.688 3.259 3.576 1.00 0.00 C ATOM 489 CG LYS A 296 4.082 2.625 4.829 1.00 0.00 C ATOM 490 CD LYS A 296 4.545 3.395 6.067 1.00 0.00 C ATOM 491 CE LYS A 296 3.750 4.697 6.186 1.00 0.00 C ATOM 492 NZ LYS A 296 4.229 5.324 7.449 1.00 0.00 N ATOM 0 H LYS A 296 4.840 2.664 1.244 1.00 0.00 H new ATOM 0 HA LYS A 296 2.628 3.179 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 296 5.353 2.550 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 296 5.291 4.125 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 296 2.994 2.638 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 296 4.385 1.580 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 296 4.403 2.787 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 296 5.611 3.613 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 296 3.927 5.348 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 296 2.678 4.503 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 3.730 6.224 7.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 4.041 4.684 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 5.251 5.503 7.382 1.00 0.00 H new ATOM 506 N ALA A 297 4.331 5.982 2.580 1.00 0.00 N ATOM 507 CA ALA A 297 4.147 7.456 2.672 1.00 0.00 C ATOM 508 C ALA A 297 2.891 7.884 1.905 1.00 0.00 C ATOM 509 O ALA A 297 1.917 8.318 2.486 1.00 0.00 O ATOM 510 CB ALA A 297 5.399 8.053 2.029 1.00 0.00 C ATOM 0 H ALA A 297 5.287 5.675 2.398 1.00 0.00 H new ATOM 0 HA ALA A 297 4.018 7.792 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.339 9.141 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.282 7.723 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 297 5.470 7.721 0.993 1.00 0.00 H new ATOM 516 N LYS A 298 2.908 7.768 0.605 1.00 0.00 N ATOM 517 CA LYS A 298 1.718 8.173 -0.194 1.00 0.00 C ATOM 518 C LYS A 298 0.433 7.684 0.479 1.00 0.00 C ATOM 519 O LYS A 298 -0.522 8.421 0.624 1.00 0.00 O ATOM 520 CB LYS A 298 1.902 7.497 -1.554 1.00 0.00 C ATOM 521 CG LYS A 298 1.350 8.407 -2.654 1.00 0.00 C ATOM 522 CD LYS A 298 2.510 9.081 -3.389 1.00 0.00 C ATOM 523 CE LYS A 298 2.405 10.599 -3.225 1.00 0.00 C ATOM 524 NZ LYS A 298 1.841 11.087 -4.514 1.00 0.00 N ATOM 0 H LYS A 298 3.694 7.410 0.063 1.00 0.00 H new ATOM 0 HA LYS A 298 1.634 9.256 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.958 7.294 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 298 1.386 6.537 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 298 0.750 7.826 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 298 0.693 9.161 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 298 3.461 8.727 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.488 8.816 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.760 10.862 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 298 3.381 11.043 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 1.739 12.121 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 2.480 10.828 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.909 10.653 -4.672 1.00 0.00 H new ATOM 538 N LEU A 299 0.400 6.445 0.887 1.00 0.00 N ATOM 539 CA LEU A 299 -0.823 5.908 1.545 1.00 0.00 C ATOM 540 C LEU A 299 -1.336 6.890 2.603 1.00 0.00 C ATOM 541 O LEU A 299 -2.483 7.292 2.584 1.00 0.00 O ATOM 542 CB LEU A 299 -0.381 4.598 2.199 1.00 0.00 C ATOM 543 CG LEU A 299 -1.615 3.791 2.609 1.00 0.00 C ATOM 544 CD1 LEU A 299 -2.006 2.842 1.474 1.00 0.00 C ATOM 545 CD2 LEU A 299 -1.297 2.978 3.866 1.00 0.00 C ATOM 0 H LEU A 299 1.169 5.781 0.793 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.636 5.756 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.230 4.021 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 299 0.238 4.806 3.072 1.00 0.00 H new ATOM 0 HG LEU A 299 -2.442 4.471 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -2.885 2.267 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -2.232 3.420 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -1.180 2.161 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -2.175 2.403 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -0.470 2.298 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -1.019 3.653 4.675 1.00 0.00 H new