USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 138 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 169 LYS NZ :NH3+ -170:sc=-0.00854 (180deg=-0.109) USER MOD Single : A 173 GLN : amide:sc= 0.301 K(o=0.3,f=-0.26) USER MOD Single : A 181 GLN :FLIP amide:sc= -0.496 F(o=-1.8!,f=-0.5) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.490 -7.438 -1.823 1.00 0.00 N ATOM 265 CA LYS A 169 -10.675 -7.220 -0.657 1.00 0.00 C ATOM 266 C LYS A 169 -9.267 -7.694 -0.966 1.00 0.00 C ATOM 267 O LYS A 169 -8.283 -7.035 -0.620 1.00 0.00 O ATOM 268 CB LYS A 169 -11.268 -7.969 0.542 1.00 0.00 C ATOM 269 CG LYS A 169 -10.550 -7.735 1.861 1.00 0.00 C ATOM 270 CD LYS A 169 -11.271 -8.444 2.993 1.00 0.00 C ATOM 271 CE LYS A 169 -10.572 -8.271 4.331 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.218 -8.861 4.340 1.00 0.00 N ATOM 0 HA LYS A 169 -10.647 -6.161 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.311 -7.675 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.260 -9.037 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.524 -8.097 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.498 -6.666 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.289 -8.061 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.347 -9.506 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -10.504 -7.209 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -11.172 -8.734 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.850 -8.870 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -9.261 -9.835 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.588 -8.294 3.736 1.00 0.00 H new ATOM 286 N GLU A 170 -9.185 -8.805 -1.696 1.00 0.00 N ATOM 287 CA GLU A 170 -7.903 -9.383 -2.077 1.00 0.00 C ATOM 288 C GLU A 170 -7.117 -8.417 -2.968 1.00 0.00 C ATOM 289 O GLU A 170 -5.910 -8.263 -2.809 1.00 0.00 O ATOM 290 CB GLU A 170 -8.083 -10.748 -2.777 1.00 0.00 C ATOM 291 CG GLU A 170 -8.873 -10.704 -4.084 1.00 0.00 C ATOM 292 CD GLU A 170 -8.964 -12.049 -4.754 1.00 0.00 C ATOM 293 OE1 GLU A 170 -8.048 -12.402 -5.503 1.00 0.00 O ATOM 294 OE2 GLU A 170 -9.960 -12.777 -4.558 1.00 0.00 O ATOM 0 H GLU A 170 -9.996 -9.322 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.333 -9.553 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -7.098 -11.168 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -8.585 -11.429 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -9.878 -10.334 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -8.402 -9.995 -4.765 1.00 0.00 H new ATOM 301 N ALA A 171 -7.827 -7.724 -3.857 1.00 0.00 N ATOM 302 CA ALA A 171 -7.199 -6.797 -4.782 1.00 0.00 C ATOM 303 C ALA A 171 -6.620 -5.614 -4.045 1.00 0.00 C ATOM 304 O ALA A 171 -5.511 -5.199 -4.316 1.00 0.00 O ATOM 305 CB ALA A 171 -8.171 -6.339 -5.852 1.00 0.00 C ATOM 0 H ALA A 171 -8.840 -7.791 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.385 -7.325 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.669 -5.646 -6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.525 -7.202 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.019 -5.839 -5.384 1.00 0.00 H new ATOM 311 N ALA A 172 -7.358 -5.102 -3.079 1.00 0.00 N ATOM 312 CA ALA A 172 -6.895 -3.969 -2.297 1.00 0.00 C ATOM 313 C ALA A 172 -5.689 -4.379 -1.463 1.00 0.00 C ATOM 314 O ALA A 172 -4.711 -3.634 -1.341 1.00 0.00 O ATOM 315 CB ALA A 172 -8.015 -3.440 -1.411 1.00 0.00 C ATOM 0 H ALA A 172 -8.280 -5.451 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.596 -3.167 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.651 -2.591 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.852 -3.123 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.345 -4.227 -0.733 1.00 0.00 H new ATOM 321 N GLN A 173 -5.743 -5.593 -0.943 1.00 0.00 N ATOM 322 CA GLN A 173 -4.684 -6.116 -0.127 1.00 0.00 C ATOM 323 C GLN A 173 -3.410 -6.360 -0.942 1.00 0.00 C ATOM 324 O GLN A 173 -2.316 -6.003 -0.493 1.00 0.00 O ATOM 325 CB GLN A 173 -5.122 -7.389 0.603 1.00 0.00 C ATOM 326 CG GLN A 173 -4.092 -7.918 1.596 1.00 0.00 C ATOM 327 CD GLN A 173 -3.703 -6.874 2.629 1.00 0.00 C ATOM 328 OE1 GLN A 173 -4.333 -6.740 3.672 1.00 0.00 O ATOM 329 NE2 GLN A 173 -2.665 -6.140 2.354 1.00 0.00 N ATOM 0 H GLN A 173 -6.524 -6.235 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.453 -5.361 0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.054 -7.190 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.333 -8.164 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -4.495 -8.795 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.202 -8.242 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -2.162 -6.276 1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.354 -5.428 3.015 1.00 0.00 H new ATOM 338 N LEU A 174 -3.532 -6.932 -2.139 1.00 0.00 N ATOM 339 CA LEU A 174 -2.356 -7.179 -2.964 1.00 0.00 C ATOM 340 C LEU A 174 -1.695 -5.862 -3.393 1.00 0.00 C ATOM 341 O LEU A 174 -0.477 -5.796 -3.567 1.00 0.00 O ATOM 342 CB LEU A 174 -2.678 -8.123 -4.151 1.00 0.00 C ATOM 343 CG LEU A 174 -3.699 -7.650 -5.197 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.069 -6.759 -6.259 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.420 -8.826 -5.822 1.00 0.00 C ATOM 0 H LEU A 174 -4.417 -7.228 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.619 -7.708 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.744 -8.336 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.036 -9.066 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.435 -7.040 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.831 -6.451 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.639 -5.877 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.285 -7.310 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.137 -8.463 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.696 -9.479 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.946 -9.384 -5.047 1.00 0.00 H new ATOM 357 N ARG A 175 -2.502 -4.803 -3.513 1.00 0.00 N ATOM 358 CA ARG A 175 -1.983 -3.485 -3.834 1.00 0.00 C ATOM 359 C ARG A 175 -1.091 -2.982 -2.694 1.00 0.00 C ATOM 360 O ARG A 175 -0.008 -2.435 -2.937 1.00 0.00 O ATOM 361 CB ARG A 175 -3.112 -2.483 -4.160 1.00 0.00 C ATOM 362 CG ARG A 175 -3.942 -2.847 -5.396 1.00 0.00 C ATOM 363 CD ARG A 175 -3.070 -3.029 -6.632 1.00 0.00 C ATOM 364 NE ARG A 175 -3.836 -3.419 -7.823 1.00 0.00 N ATOM 365 CZ ARG A 175 -3.296 -3.868 -8.971 1.00 0.00 C ATOM 366 NH1 ARG A 175 -1.983 -4.034 -9.082 1.00 0.00 N ATOM 367 NH2 ARG A 175 -4.068 -4.164 -9.998 1.00 0.00 N ATOM 0 H ARG A 175 -3.514 -4.840 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.377 -3.568 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.777 -2.410 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.674 -1.496 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.496 -3.766 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.678 -2.065 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.540 -2.099 -6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -2.314 -3.788 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.852 -3.344 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.373 -3.821 -8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.584 -4.375 -9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -5.079 -4.053 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.654 -4.504 -10.866 1.00 0.00 H new ATOM 381 N GLU A 176 -1.521 -3.217 -1.463 1.00 0.00 N ATOM 382 CA GLU A 176 -0.722 -2.873 -0.290 1.00 0.00 C ATOM 383 C GLU A 176 0.517 -3.773 -0.218 1.00 0.00 C ATOM 384 O GLU A 176 1.643 -3.294 -0.059 1.00 0.00 O ATOM 385 CB GLU A 176 -1.552 -3.000 1.007 1.00 0.00 C ATOM 386 CG GLU A 176 -0.735 -2.804 2.290 1.00 0.00 C ATOM 387 CD GLU A 176 -1.555 -2.915 3.551 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.002 -4.033 3.904 1.00 0.00 O ATOM 389 OE2 GLU A 176 -1.748 -1.900 4.239 1.00 0.00 O ATOM 0 H GLU A 176 -2.421 -3.646 -1.247 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.405 -1.834 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.357 -2.265 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -2.019 -3.984 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 176 0.063 -3.546 2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.259 -1.824 2.261 1.00 0.00 H new ATOM 396 N GLU A 177 0.302 -5.071 -0.384 1.00 0.00 N ATOM 397 CA GLU A 177 1.370 -6.054 -0.298 1.00 0.00 C ATOM 398 C GLU A 177 2.487 -5.825 -1.297 1.00 0.00 C ATOM 399 O GLU A 177 3.665 -5.968 -0.941 1.00 0.00 O ATOM 400 CB GLU A 177 0.842 -7.480 -0.389 1.00 0.00 C ATOM 401 CG GLU A 177 0.096 -7.931 0.853 1.00 0.00 C ATOM 402 CD GLU A 177 0.955 -7.831 2.095 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.103 -8.290 2.071 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.505 -7.270 3.113 1.00 0.00 O ATOM 0 H GLU A 177 -0.616 -5.470 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 177 1.808 -5.915 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.178 -7.559 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.677 -8.157 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.799 -7.322 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.236 -8.961 0.723 1.00 0.00 H new ATOM 411 N ARG A 178 2.145 -5.463 -2.531 1.00 0.00 N ATOM 412 CA ARG A 178 3.178 -5.207 -3.522 1.00 0.00 C ATOM 413 C ARG A 178 4.033 -4.015 -3.110 1.00 0.00 C ATOM 414 O ARG A 178 5.244 -4.061 -3.217 1.00 0.00 O ATOM 415 CB ARG A 178 2.630 -5.028 -4.956 1.00 0.00 C ATOM 416 CG ARG A 178 1.759 -3.808 -5.196 1.00 0.00 C ATOM 417 CD ARG A 178 1.437 -3.664 -6.670 1.00 0.00 C ATOM 418 NE ARG A 178 0.591 -2.494 -6.946 1.00 0.00 N ATOM 419 CZ ARG A 178 0.403 -1.954 -8.158 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.167 -2.318 -9.180 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.516 -1.015 -8.330 1.00 0.00 N ATOM 0 H ARG A 178 1.187 -5.344 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 178 3.801 -6.101 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.476 -4.985 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.054 -5.916 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.836 -3.895 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.271 -2.914 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.365 -3.580 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.932 -4.565 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 178 0.112 -2.061 -6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.902 -3.012 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.019 -1.904 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.080 -0.703 -7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.659 -0.604 -9.253 1.00 0.00 H new ATOM 435 N LEU A 179 3.392 -2.976 -2.563 1.00 0.00 N ATOM 436 CA LEU A 179 4.117 -1.784 -2.124 1.00 0.00 C ATOM 437 C LEU A 179 5.067 -2.125 -0.978 1.00 0.00 C ATOM 438 O LEU A 179 6.176 -1.598 -0.896 1.00 0.00 O ATOM 439 CB LEU A 179 3.152 -0.671 -1.698 1.00 0.00 C ATOM 440 CG LEU A 179 2.200 -0.138 -2.779 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.281 0.924 -2.197 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.977 0.424 -3.968 1.00 0.00 C ATOM 0 H LEU A 179 2.383 -2.938 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 179 4.701 -1.421 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.552 -1.040 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.741 0.165 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 179 1.594 -0.971 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 179 0.612 1.292 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 179 0.693 0.492 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.878 1.750 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.278 0.794 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.615 1.241 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.594 -0.362 -4.404 1.00 0.00 H new ATOM 454 N ARG A 180 4.630 -3.026 -0.115 1.00 0.00 N ATOM 455 CA ARG A 180 5.433 -3.472 1.016 1.00 0.00 C ATOM 456 C ARG A 180 6.684 -4.210 0.555 1.00 0.00 C ATOM 457 O ARG A 180 7.797 -3.884 0.980 1.00 0.00 O ATOM 458 CB ARG A 180 4.635 -4.393 1.927 1.00 0.00 C ATOM 459 CG ARG A 180 3.419 -3.772 2.577 1.00 0.00 C ATOM 460 CD ARG A 180 2.742 -4.772 3.490 1.00 0.00 C ATOM 461 NE ARG A 180 3.645 -5.224 4.564 1.00 0.00 N ATOM 462 CZ ARG A 180 3.509 -6.358 5.267 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.531 -7.215 4.985 1.00 0.00 N ATOM 464 NH2 ARG A 180 4.386 -6.651 6.228 1.00 0.00 N ATOM 0 H ARG A 180 3.713 -3.469 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 180 5.724 -2.576 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.314 -5.259 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.296 -4.762 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.713 -2.891 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 180 2.720 -3.438 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 180 1.852 -4.321 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 180 2.410 -5.631 2.907 1.00 0.00 H new ATOM 0 HE ARG A 180 4.439 -4.625 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 180 1.877 -7.012 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 180 2.435 -8.075 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 180 5.157 -6.013 6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 180 4.286 -7.513 6.765 1.00 0.00 H new ATOM 478 N GLN A 181 6.502 -5.179 -0.335 1.00 0.00 N ATOM 479 CA GLN A 181 7.607 -6.025 -0.785 1.00 0.00 C ATOM 480 C GLN A 181 8.529 -5.252 -1.711 1.00 0.00 C ATOM 481 O GLN A 181 9.730 -5.523 -1.797 1.00 0.00 O ATOM 482 CB GLN A 181 7.065 -7.323 -1.436 1.00 0.00 C ATOM 483 CG GLN A 181 6.412 -7.165 -2.816 1.00 0.00 C ATOM 484 CD GLN A 181 7.412 -7.211 -3.971 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.417 -8.036 -3.856 1.00 0.00 O flip ATOM 486 NE2 GLN A 181 7.239 -6.546 -4.981 1.00 0.00 N flip ATOM 0 H GLN A 181 5.602 -5.400 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 181 8.202 -6.324 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.888 -8.032 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.334 -7.767 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.674 -7.955 -2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.874 -6.217 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.444 -5.909 -5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.889 -6.627 -5.763 1.00 0.00 H new ATOM 495 N TYR A 182 7.963 -4.278 -2.392 1.00 0.00 N ATOM 496 CA TYR A 182 8.720 -3.442 -3.288 1.00 0.00 C ATOM 497 C TYR A 182 9.693 -2.604 -2.474 1.00 0.00 C ATOM 498 O TYR A 182 10.861 -2.455 -2.840 1.00 0.00 O ATOM 499 CB TYR A 182 7.792 -2.540 -4.108 1.00 0.00 C ATOM 500 CG TYR A 182 8.468 -1.924 -5.297 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.489 -2.593 -6.507 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.108 -0.695 -5.213 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.127 -2.067 -7.595 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.743 -0.155 -6.306 1.00 0.00 C ATOM 505 CZ TYR A 182 9.750 -0.850 -7.494 1.00 0.00 C ATOM 506 OH TYR A 182 10.410 -0.342 -8.578 1.00 0.00 O ATOM 0 H TYR A 182 6.971 -4.047 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 182 9.272 -4.071 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.935 -3.123 -4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.406 -1.748 -3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 182 7.992 -3.548 -6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 182 9.107 -0.156 -4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.140 -2.607 -8.530 1.00 0.00 H new ATOM 0 HE2 TYR A 182 10.232 0.805 -6.233 1.00 0.00 H new ATOM 0 HH TYR A 182 10.798 0.528 -8.347 1.00 0.00 H new ATOM 516 N ALA A 183 9.218 -2.113 -1.335 1.00 0.00 N ATOM 517 CA ALA A 183 10.033 -1.329 -0.425 1.00 0.00 C ATOM 518 C ALA A 183 11.075 -2.210 0.268 1.00 0.00 C ATOM 519 O ALA A 183 12.040 -1.710 0.838 1.00 0.00 O ATOM 520 CB ALA A 183 9.156 -0.625 0.601 1.00 0.00 C ATOM 0 H ALA A 183 8.257 -2.249 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 183 10.562 -0.572 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.782 -0.041 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.458 0.038 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.599 -1.367 1.173 1.00 0.00 H new ATOM 526 N GLU A 184 10.853 -3.511 0.238 1.00 0.00 N ATOM 527 CA GLU A 184 11.789 -4.473 0.791 1.00 0.00 C ATOM 528 C GLU A 184 12.948 -4.700 -0.160 1.00 0.00 C ATOM 529 O GLU A 184 14.110 -4.635 0.223 1.00 0.00 O ATOM 530 CB GLU A 184 11.125 -5.816 1.035 1.00 0.00 C ATOM 531 CG GLU A 184 10.095 -5.860 2.138 1.00 0.00 C ATOM 532 CD GLU A 184 9.600 -7.265 2.362 1.00 0.00 C ATOM 533 OE1 GLU A 184 10.240 -8.006 3.116 1.00 0.00 O ATOM 534 OE2 GLU A 184 8.594 -7.666 1.757 1.00 0.00 O ATOM 0 H GLU A 184 10.018 -3.931 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 184 12.143 -4.059 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.648 -6.136 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 184 11.902 -6.546 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.528 -5.472 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.256 -5.212 1.883 1.00 0.00 H new