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+ 165:sc= -0.0131 (180deg=-0.228) USER MOD Single : A 173 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 181 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.3) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.449 -7.159 -2.366 1.00 0.00 N ATOM 265 CA LYS A 169 -10.761 -7.361 -1.102 1.00 0.00 C ATOM 266 C LYS A 169 -9.353 -7.889 -1.311 1.00 0.00 C ATOM 267 O LYS A 169 -8.409 -7.478 -0.615 1.00 0.00 O ATOM 268 CB LYS A 169 -11.570 -8.287 -0.206 1.00 0.00 C ATOM 269 CG LYS A 169 -11.070 -8.348 1.217 1.00 0.00 C ATOM 270 CD LYS A 169 -11.921 -9.262 2.060 1.00 0.00 C ATOM 271 CE LYS A 169 -11.480 -9.237 3.509 1.00 0.00 C ATOM 272 NZ LYS A 169 -11.724 -7.924 4.150 1.00 0.00 N ATOM 0 HA LYS A 169 -10.669 -6.394 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.609 -7.957 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.556 -9.291 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -10.038 -8.698 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -11.071 -7.347 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.966 -8.959 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.858 -10.280 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -12.011 -10.012 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -10.418 -9.475 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -11.650 -8.023 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -11.017 -7.238 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -12.677 -7.588 3.902 1.00 0.00 H new ATOM 286 N GLU A 170 -9.207 -8.740 -2.297 1.00 0.00 N ATOM 287 CA GLU A 170 -7.935 -9.319 -2.623 1.00 0.00 C ATOM 288 C GLU A 170 -7.068 -8.248 -3.290 1.00 0.00 C ATOM 289 O GLU A 170 -5.867 -8.162 -3.034 1.00 0.00 O ATOM 290 CB GLU A 170 -8.150 -10.526 -3.543 1.00 0.00 C ATOM 291 CG GLU A 170 -6.902 -11.313 -3.899 1.00 0.00 C ATOM 292 CD GLU A 170 -6.237 -11.926 -2.698 1.00 0.00 C ATOM 293 OE1 GLU A 170 -6.803 -12.850 -2.102 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.123 -11.497 -2.335 1.00 0.00 O ATOM 0 H GLU A 170 -9.973 -9.049 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.424 -9.669 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.859 -11.202 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -8.613 -10.178 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -7.164 -12.101 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -6.195 -10.655 -4.404 1.00 0.00 H new ATOM 301 N ALA A 171 -7.708 -7.395 -4.101 1.00 0.00 N ATOM 302 CA ALA A 171 -7.018 -6.302 -4.766 1.00 0.00 C ATOM 303 C ALA A 171 -6.450 -5.339 -3.758 1.00 0.00 C ATOM 304 O ALA A 171 -5.294 -4.965 -3.846 1.00 0.00 O ATOM 305 CB ALA A 171 -7.926 -5.566 -5.733 1.00 0.00 C ATOM 0 H ALA A 171 -8.705 -7.448 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.202 -6.740 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.372 -4.757 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.283 -6.258 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.777 -5.153 -5.191 1.00 0.00 H new ATOM 311 N ALA A 172 -7.258 -4.965 -2.782 1.00 0.00 N ATOM 312 CA ALA A 172 -6.819 -4.051 -1.742 1.00 0.00 C ATOM 313 C ALA A 172 -5.663 -4.658 -0.954 1.00 0.00 C ATOM 314 O ALA A 172 -4.662 -3.985 -0.681 1.00 0.00 O ATOM 315 CB ALA A 172 -7.966 -3.706 -0.823 1.00 0.00 C ATOM 0 H ALA A 172 -8.223 -5.281 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.469 -3.132 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.619 -3.020 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.762 -3.233 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.346 -4.616 -0.358 1.00 0.00 H new ATOM 321 N GLN A 173 -5.782 -5.945 -0.666 1.00 0.00 N ATOM 322 CA GLN A 173 -4.780 -6.676 0.086 1.00 0.00 C ATOM 323 C GLN A 173 -3.448 -6.685 -0.665 1.00 0.00 C ATOM 324 O GLN A 173 -2.383 -6.437 -0.074 1.00 0.00 O ATOM 325 CB GLN A 173 -5.261 -8.106 0.341 1.00 0.00 C ATOM 326 CG GLN A 173 -4.360 -8.929 1.250 1.00 0.00 C ATOM 327 CD GLN A 173 -4.875 -10.339 1.476 1.00 0.00 C ATOM 328 OE1 GLN A 173 -5.504 -10.917 0.488 1.00 0.00 O flip ATOM 329 NE2 GLN A 173 -4.663 -10.927 2.538 1.00 0.00 N flip ATOM 0 H GLN A 173 -6.581 -6.512 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.628 -6.180 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.258 -8.066 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.354 -8.619 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.362 -8.978 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -4.265 -8.424 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -4.169 -10.452 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -4.981 -11.888 2.661 1.00 0.00 H new ATOM 338 N LEU A 174 -3.509 -6.925 -1.976 1.00 0.00 N ATOM 339 CA LEU A 174 -2.309 -6.970 -2.779 1.00 0.00 C ATOM 340 C LEU A 174 -1.692 -5.595 -2.979 1.00 0.00 C ATOM 341 O LEU A 174 -0.513 -5.508 -3.267 1.00 0.00 O ATOM 342 CB LEU A 174 -2.541 -7.705 -4.122 1.00 0.00 C ATOM 343 CG LEU A 174 -3.542 -7.098 -5.113 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.938 -5.981 -5.963 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.166 -8.170 -5.964 1.00 0.00 C ATOM 0 H LEU A 174 -4.374 -7.089 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.580 -7.554 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.579 -7.787 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -2.870 -8.719 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.329 -6.629 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.695 -5.592 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.587 -5.179 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.100 -6.374 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -4.873 -7.717 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.388 -8.689 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.690 -8.882 -5.326 1.00 0.00 H new ATOM 357 N ARG A 175 -2.494 -4.517 -2.833 1.00 0.00 N ATOM 358 CA ARG A 175 -1.959 -3.148 -2.970 1.00 0.00 C ATOM 359 C ARG A 175 -0.870 -2.970 -1.938 1.00 0.00 C ATOM 360 O ARG A 175 0.259 -2.604 -2.268 1.00 0.00 O ATOM 361 CB ARG A 175 -3.023 -2.054 -2.738 1.00 0.00 C ATOM 362 CG ARG A 175 -4.284 -2.143 -3.580 1.00 0.00 C ATOM 363 CD ARG A 175 -4.042 -2.053 -5.084 1.00 0.00 C ATOM 364 NE ARG A 175 -5.321 -2.156 -5.818 1.00 0.00 N ATOM 365 CZ ARG A 175 -5.476 -2.390 -7.135 1.00 0.00 C ATOM 366 NH1 ARG A 175 -4.420 -2.478 -7.942 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.698 -2.493 -7.637 1.00 0.00 N ATOM 0 H ARG A 175 -3.491 -4.567 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.594 -3.037 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.312 -2.077 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.560 -1.084 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.788 -3.084 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.962 -1.342 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -3.552 -1.109 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.369 -2.851 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 175 -6.174 -2.038 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -3.479 -2.368 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -4.552 -2.656 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.510 -2.395 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -6.827 -2.670 -8.633 1.00 0.00 H new ATOM 381 N GLU A 176 -1.220 -3.293 -0.695 1.00 0.00 N ATOM 382 CA GLU A 176 -0.286 -3.243 0.423 1.00 0.00 C ATOM 383 C GLU A 176 0.935 -4.110 0.154 1.00 0.00 C ATOM 384 O GLU A 176 2.065 -3.625 0.141 1.00 0.00 O ATOM 385 CB GLU A 176 -0.954 -3.707 1.734 1.00 0.00 C ATOM 386 CG GLU A 176 -1.766 -2.652 2.484 1.00 0.00 C ATOM 387 CD GLU A 176 -2.868 -2.014 1.683 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.621 -0.972 1.036 1.00 0.00 O ATOM 389 OE2 GLU A 176 -4.017 -2.488 1.743 1.00 0.00 O ATOM 0 H GLU A 176 -2.159 -3.596 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 176 0.025 -2.204 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.610 -4.547 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.177 -4.081 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.201 -3.112 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.089 -1.871 2.830 1.00 0.00 H new ATOM 396 N GLU A 177 0.694 -5.368 -0.125 1.00 0.00 N ATOM 397 CA GLU A 177 1.760 -6.336 -0.285 1.00 0.00 C ATOM 398 C GLU A 177 2.705 -6.040 -1.462 1.00 0.00 C ATOM 399 O GLU A 177 3.923 -6.207 -1.327 1.00 0.00 O ATOM 400 CB GLU A 177 1.204 -7.749 -0.354 1.00 0.00 C ATOM 401 CG GLU A 177 0.439 -8.163 0.899 1.00 0.00 C ATOM 402 CD GLU A 177 1.271 -8.057 2.161 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.086 -8.975 2.445 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.111 -7.083 2.909 1.00 0.00 O ATOM 0 H GLU A 177 -0.243 -5.752 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 177 2.381 -6.248 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.543 -7.829 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 177 2.026 -8.447 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.447 -7.537 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.092 -9.190 0.784 1.00 0.00 H new ATOM 411 N ARG A 178 2.180 -5.572 -2.599 1.00 0.00 N ATOM 412 CA ARG A 178 3.051 -5.295 -3.736 1.00 0.00 C ATOM 413 C ARG A 178 3.853 -4.026 -3.507 1.00 0.00 C ATOM 414 O ARG A 178 4.971 -3.893 -4.008 1.00 0.00 O ATOM 415 CB ARG A 178 2.281 -5.228 -5.058 1.00 0.00 C ATOM 416 CG ARG A 178 1.314 -4.073 -5.179 1.00 0.00 C ATOM 417 CD ARG A 178 0.518 -4.162 -6.455 1.00 0.00 C ATOM 418 NE ARG A 178 1.349 -4.001 -7.663 1.00 0.00 N ATOM 419 CZ ARG A 178 1.261 -4.776 -8.766 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.477 -5.846 -8.774 1.00 0.00 N ATOM 421 NH2 ARG A 178 1.981 -4.497 -9.845 1.00 0.00 N ATOM 0 H ARG A 178 1.189 -5.383 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 178 3.745 -6.132 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 178 2.999 -5.168 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.729 -6.159 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.637 -4.070 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.863 -3.131 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.011 -5.126 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -0.257 -3.395 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 178 2.040 -3.251 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.064 -6.088 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.415 -6.427 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 178 2.607 -3.692 -9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 178 1.908 -5.088 -10.673 1.00 0.00 H new ATOM 435 N LEU A 179 3.284 -3.112 -2.734 1.00 0.00 N ATOM 436 CA LEU A 179 3.944 -1.876 -2.391 1.00 0.00 C ATOM 437 C LEU A 179 5.104 -2.232 -1.467 1.00 0.00 C ATOM 438 O LEU A 179 6.250 -1.921 -1.753 1.00 0.00 O ATOM 439 CB LEU A 179 2.920 -0.926 -1.693 1.00 0.00 C ATOM 440 CG LEU A 179 3.281 0.576 -1.485 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.452 0.786 -0.534 1.00 0.00 C ATOM 442 CD2 LEU A 179 3.535 1.263 -2.822 1.00 0.00 C ATOM 0 H LEU A 179 2.352 -3.213 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 179 4.325 -1.356 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.996 -0.962 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.700 -1.347 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 179 2.415 1.037 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.652 1.853 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.207 0.369 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 179 5.336 0.287 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 179 3.785 2.310 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 179 4.363 0.771 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.639 1.200 -3.439 1.00 0.00 H new ATOM 454 N ARG A 180 4.779 -2.965 -0.413 1.00 0.00 N ATOM 455 CA ARG A 180 5.741 -3.387 0.607 1.00 0.00 C ATOM 456 C ARG A 180 6.906 -4.184 0.019 1.00 0.00 C ATOM 457 O ARG A 180 8.065 -3.858 0.264 1.00 0.00 O ATOM 458 CB ARG A 180 5.029 -4.199 1.706 1.00 0.00 C ATOM 459 CG ARG A 180 4.006 -3.401 2.526 1.00 0.00 C ATOM 460 CD ARG A 180 4.632 -2.539 3.630 1.00 0.00 C ATOM 461 NE ARG A 180 5.730 -1.679 3.173 1.00 0.00 N ATOM 462 CZ ARG A 180 5.706 -0.350 3.086 1.00 0.00 C ATOM 463 NH1 ARG A 180 4.556 0.324 3.203 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.834 0.291 2.828 1.00 0.00 N ATOM 0 H ARG A 180 3.829 -3.290 -0.235 1.00 0.00 H new ATOM 0 HA ARG A 180 6.166 -2.483 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.523 -5.047 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.780 -4.606 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.438 -2.757 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.297 -4.094 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.856 -1.914 4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 180 5.002 -3.193 4.420 1.00 0.00 H new ATOM 0 HE ARG A 180 6.595 -2.144 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.683 -0.180 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 180 4.552 1.342 3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 180 7.700 -0.232 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 180 6.838 1.309 2.757 1.00 0.00 H new ATOM 478 N GLN A 181 6.609 -5.191 -0.798 1.00 0.00 N ATOM 479 CA GLN A 181 7.669 -6.036 -1.348 1.00 0.00 C ATOM 480 C GLN A 181 8.594 -5.255 -2.273 1.00 0.00 C ATOM 481 O GLN A 181 9.809 -5.421 -2.240 1.00 0.00 O ATOM 482 CB GLN A 181 7.096 -7.322 -2.008 1.00 0.00 C ATOM 483 CG GLN A 181 6.297 -7.169 -3.321 1.00 0.00 C ATOM 484 CD GLN A 181 7.162 -6.995 -4.569 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.286 -7.483 -4.641 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.647 -6.308 -5.547 1.00 0.00 N ATOM 0 H GLN A 181 5.664 -5.440 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 181 8.287 -6.371 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.929 -7.998 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.450 -7.812 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.664 -8.047 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.634 -6.309 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.710 -5.915 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.180 -6.162 -6.404 1.00 0.00 H new ATOM 495 N TYR A 182 8.024 -4.362 -3.047 1.00 0.00 N ATOM 496 CA TYR A 182 8.810 -3.581 -3.987 1.00 0.00 C ATOM 497 C TYR A 182 9.619 -2.528 -3.241 1.00 0.00 C ATOM 498 O TYR A 182 10.698 -2.144 -3.670 1.00 0.00 O ATOM 499 CB TYR A 182 7.909 -2.924 -5.044 1.00 0.00 C ATOM 500 CG TYR A 182 8.664 -2.243 -6.172 1.00 0.00 C ATOM 501 CD1 TYR A 182 9.028 -2.952 -7.308 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.015 -0.899 -6.101 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.713 -2.341 -8.340 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.701 -0.286 -7.126 1.00 0.00 C ATOM 505 CZ TYR A 182 10.048 -1.009 -8.241 1.00 0.00 C ATOM 506 OH TYR A 182 10.721 -0.392 -9.279 1.00 0.00 O ATOM 0 H TYR A 182 7.025 -4.155 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 182 9.497 -4.251 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.253 -3.684 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.270 -2.189 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.772 -3.998 -7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 182 8.745 -0.326 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.985 -2.905 -9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 182 9.965 0.759 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 182 10.881 0.548 -9.052 1.00 0.00 H new ATOM 516 N ALA A 183 9.101 -2.105 -2.120 1.00 0.00 N ATOM 517 CA ALA A 183 9.723 -1.093 -1.308 1.00 0.00 C ATOM 518 C ALA A 183 10.873 -1.660 -0.476 1.00 0.00 C ATOM 519 O ALA A 183 12.014 -1.174 -0.563 1.00 0.00 O ATOM 520 CB ALA A 183 8.682 -0.467 -0.407 1.00 0.00 C ATOM 0 H ALA A 183 8.223 -2.458 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 183 10.145 -0.336 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.149 0.300 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.898 -0.016 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.248 -1.234 0.235 1.00 0.00 H new ATOM 526 N GLU A 184 10.586 -2.690 0.308 1.00 0.00 N ATOM 527 CA GLU A 184 11.568 -3.275 1.206 1.00 0.00 C ATOM 528 C GLU A 184 12.578 -4.175 0.499 1.00 0.00 C ATOM 529 O GLU A 184 13.788 -3.968 0.638 1.00 0.00 O ATOM 530 CB GLU A 184 10.924 -4.011 2.385 1.00 0.00 C ATOM 531 CG GLU A 184 10.341 -3.114 3.487 1.00 0.00 C ATOM 532 CD GLU A 184 9.116 -2.335 3.082 1.00 0.00 C ATOM 533 OE1 GLU A 184 8.030 -2.927 3.057 1.00 0.00 O ATOM 534 OE2 GLU A 184 9.208 -1.093 2.841 1.00 0.00 O ATOM 0 H GLU A 184 9.671 -3.140 0.339 1.00 0.00 H new ATOM 0 HA GLU A 184 12.122 -2.424 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.128 -4.649 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 184 11.671 -4.667 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.092 -3.734 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.110 -2.413 3.811 1.00 0.00 H new