USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.7!) USER MOD Single : A 181 GLN : amide:sc= 0.689 K(o=0.69,f=-0.16) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.122 -5.403 -0.621 1.00 0.00 N ATOM 265 CA LYS A 169 -10.104 -5.775 0.326 1.00 0.00 C ATOM 266 C LYS A 169 -9.141 -6.773 -0.302 1.00 0.00 C ATOM 267 O LYS A 169 -7.941 -6.697 -0.077 1.00 0.00 O ATOM 268 CB LYS A 169 -10.694 -6.302 1.636 1.00 0.00 C ATOM 269 CG LYS A 169 -9.633 -6.636 2.672 1.00 0.00 C ATOM 270 CD LYS A 169 -10.230 -6.978 4.021 1.00 0.00 C ATOM 271 CE LYS A 169 -9.126 -7.274 5.021 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.644 -7.514 6.379 1.00 0.00 N ATOM 0 HA LYS A 169 -9.546 -4.876 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.374 -5.557 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.286 -7.194 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.036 -7.477 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.957 -5.788 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -10.841 -6.149 4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.888 -7.842 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.565 -8.148 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.428 -6.437 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.852 -7.711 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.157 -6.672 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.290 -8.329 6.365 1.00 0.00 H new ATOM 286 N GLU A 170 -9.651 -7.663 -1.149 1.00 0.00 N ATOM 287 CA GLU A 170 -8.775 -8.602 -1.831 1.00 0.00 C ATOM 288 C GLU A 170 -7.980 -7.880 -2.915 1.00 0.00 C ATOM 289 O GLU A 170 -6.849 -8.251 -3.228 1.00 0.00 O ATOM 290 CB GLU A 170 -9.527 -9.804 -2.411 1.00 0.00 C ATOM 291 CG GLU A 170 -10.609 -9.457 -3.412 1.00 0.00 C ATOM 292 CD GLU A 170 -11.194 -10.677 -4.044 1.00 0.00 C ATOM 293 OE1 GLU A 170 -12.125 -11.270 -3.479 1.00 0.00 O ATOM 294 OE2 GLU A 170 -10.705 -11.093 -5.120 1.00 0.00 O ATOM 0 H GLU A 170 -10.642 -7.751 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 170 -8.088 -9.003 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.807 -10.467 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.977 -10.363 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -11.397 -8.893 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -10.194 -8.811 -4.186 1.00 0.00 H new ATOM 301 N ALA A 171 -8.558 -6.805 -3.451 1.00 0.00 N ATOM 302 CA ALA A 171 -7.865 -6.026 -4.456 1.00 0.00 C ATOM 303 C ALA A 171 -6.797 -5.193 -3.776 1.00 0.00 C ATOM 304 O ALA A 171 -5.726 -4.964 -4.318 1.00 0.00 O ATOM 305 CB ALA A 171 -8.833 -5.144 -5.207 1.00 0.00 C ATOM 0 H ALA A 171 -9.488 -6.465 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 171 -7.399 -6.695 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -8.293 -4.567 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -9.584 -5.763 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.322 -4.464 -4.509 1.00 0.00 H new ATOM 311 N ALA A 172 -7.105 -4.773 -2.564 1.00 0.00 N ATOM 312 CA ALA A 172 -6.195 -4.021 -1.738 1.00 0.00 C ATOM 313 C ALA A 172 -5.035 -4.889 -1.385 1.00 0.00 C ATOM 314 O ALA A 172 -3.909 -4.492 -1.534 1.00 0.00 O ATOM 315 CB ALA A 172 -6.891 -3.580 -0.480 1.00 0.00 C ATOM 0 H ALA A 172 -8.008 -4.950 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.851 -3.141 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.197 -3.012 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -7.745 -2.953 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.236 -4.455 0.071 1.00 0.00 H new ATOM 321 N GLN A 173 -5.359 -6.102 -0.958 1.00 0.00 N ATOM 322 CA GLN A 173 -4.411 -7.137 -0.587 1.00 0.00 C ATOM 323 C GLN A 173 -3.279 -7.264 -1.610 1.00 0.00 C ATOM 324 O GLN A 173 -2.116 -7.078 -1.268 1.00 0.00 O ATOM 325 CB GLN A 173 -5.176 -8.457 -0.457 1.00 0.00 C ATOM 326 CG GLN A 173 -4.333 -9.694 -0.245 1.00 0.00 C ATOM 327 CD GLN A 173 -5.179 -10.949 -0.274 1.00 0.00 C ATOM 328 OE1 GLN A 173 -6.227 -10.992 -0.921 1.00 0.00 O ATOM 329 NE2 GLN A 173 -4.732 -11.975 0.358 1.00 0.00 N ATOM 0 H GLN A 173 -6.329 -6.401 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.943 -6.874 0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.873 -8.369 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.773 -8.598 -1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.567 -9.751 -1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.815 -9.624 0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.861 -11.910 0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.248 -12.855 0.332 1.00 0.00 H new ATOM 338 N LEU A 174 -3.626 -7.514 -2.860 1.00 0.00 N ATOM 339 CA LEU A 174 -2.632 -7.699 -3.904 1.00 0.00 C ATOM 340 C LEU A 174 -1.827 -6.418 -4.220 1.00 0.00 C ATOM 341 O LEU A 174 -0.653 -6.491 -4.618 1.00 0.00 O ATOM 342 CB LEU A 174 -3.265 -8.374 -5.144 1.00 0.00 C ATOM 343 CG LEU A 174 -4.519 -7.713 -5.751 1.00 0.00 C ATOM 344 CD1 LEU A 174 -4.171 -6.592 -6.711 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.412 -8.745 -6.408 1.00 0.00 C ATOM 0 H LEU A 174 -4.592 -7.594 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.876 -8.386 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.504 -8.430 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.521 -9.399 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 174 -5.073 -7.260 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -5.087 -6.159 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.606 -5.823 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.569 -6.987 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.289 -8.253 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.862 -9.248 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.728 -9.478 -5.666 1.00 0.00 H new ATOM 357 N ARG A 175 -2.429 -5.254 -4.015 1.00 0.00 N ATOM 358 CA ARG A 175 -1.725 -3.996 -4.218 1.00 0.00 C ATOM 359 C ARG A 175 -0.802 -3.722 -3.031 1.00 0.00 C ATOM 360 O ARG A 175 0.365 -3.369 -3.195 1.00 0.00 O ATOM 361 CB ARG A 175 -2.693 -2.812 -4.403 1.00 0.00 C ATOM 362 CG ARG A 175 -3.611 -2.891 -5.619 1.00 0.00 C ATOM 363 CD ARG A 175 -2.832 -3.032 -6.919 1.00 0.00 C ATOM 364 NE ARG A 175 -3.718 -2.990 -8.090 1.00 0.00 N ATOM 365 CZ ARG A 175 -3.612 -3.758 -9.182 1.00 0.00 C ATOM 366 NH1 ARG A 175 -2.675 -4.702 -9.261 1.00 0.00 N ATOM 367 NH2 ARG A 175 -4.459 -3.593 -10.184 1.00 0.00 N ATOM 0 H ARG A 175 -3.397 -5.155 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.141 -4.092 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.311 -2.729 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.107 -1.895 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.286 -3.740 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.230 -1.995 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.096 -2.232 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -2.281 -3.972 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.483 -2.315 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.029 -4.846 -8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -2.604 -5.281 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -5.189 -2.883 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -4.382 -4.175 -11.018 1.00 0.00 H new ATOM 381 N GLU A 176 -1.334 -3.935 -1.851 1.00 0.00 N ATOM 382 CA GLU A 176 -0.648 -3.709 -0.598 1.00 0.00 C ATOM 383 C GLU A 176 0.556 -4.652 -0.489 1.00 0.00 C ATOM 384 O GLU A 176 1.664 -4.214 -0.162 1.00 0.00 O ATOM 385 CB GLU A 176 -1.673 -3.886 0.561 1.00 0.00 C ATOM 386 CG GLU A 176 -1.240 -3.472 1.974 1.00 0.00 C ATOM 387 CD GLU A 176 -0.270 -4.418 2.622 1.00 0.00 C ATOM 388 OE1 GLU A 176 -0.674 -5.519 2.998 1.00 0.00 O ATOM 389 OE2 GLU A 176 0.921 -4.079 2.756 1.00 0.00 O ATOM 0 H GLU A 176 -2.286 -4.281 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.250 -2.696 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.567 -3.318 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.962 -4.937 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.788 -2.481 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -2.126 -3.389 2.604 1.00 0.00 H new ATOM 396 N GLU A 177 0.356 -5.924 -0.827 1.00 0.00 N ATOM 397 CA GLU A 177 1.434 -6.895 -0.761 1.00 0.00 C ATOM 398 C GLU A 177 2.567 -6.587 -1.732 1.00 0.00 C ATOM 399 O GLU A 177 3.740 -6.823 -1.413 1.00 0.00 O ATOM 400 CB GLU A 177 0.956 -8.333 -0.928 1.00 0.00 C ATOM 401 CG GLU A 177 0.075 -8.828 0.204 1.00 0.00 C ATOM 402 CD GLU A 177 -0.179 -10.308 0.117 1.00 0.00 C ATOM 403 OE1 GLU A 177 0.648 -11.095 0.648 1.00 0.00 O ATOM 404 OE2 GLU A 177 -1.180 -10.724 -0.472 1.00 0.00 O ATOM 0 H GLU A 177 -0.537 -6.300 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 177 1.832 -6.803 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.405 -8.415 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.825 -8.986 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 177 0.548 -8.597 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.876 -8.295 0.182 1.00 0.00 H new ATOM 411 N ARG A 178 2.258 -6.043 -2.911 1.00 0.00 N ATOM 412 CA ARG A 178 3.340 -5.709 -3.818 1.00 0.00 C ATOM 413 C ARG A 178 4.099 -4.488 -3.312 1.00 0.00 C ATOM 414 O ARG A 178 5.311 -4.391 -3.489 1.00 0.00 O ATOM 415 CB ARG A 178 2.914 -5.542 -5.283 1.00 0.00 C ATOM 416 CG ARG A 178 2.089 -4.314 -5.608 1.00 0.00 C ATOM 417 CD ARG A 178 1.890 -4.207 -7.104 1.00 0.00 C ATOM 418 NE ARG A 178 1.088 -3.044 -7.493 1.00 0.00 N ATOM 419 CZ ARG A 178 0.552 -2.859 -8.705 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.713 -3.777 -9.658 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.140 -1.754 -8.967 1.00 0.00 N ATOM 0 H ARG A 178 1.316 -5.835 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 178 4.007 -6.571 -3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.812 -5.523 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.344 -6.424 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 178 1.123 -4.372 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.589 -3.420 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.863 -4.150 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 178 1.405 -5.113 -7.466 1.00 0.00 H new ATOM 0 HE ARG A 178 0.927 -2.324 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.247 -4.625 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.303 -3.632 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -0.263 -1.046 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.548 -1.615 -9.892 1.00 0.00 H new ATOM 435 N LEU A 179 3.394 -3.590 -2.617 1.00 0.00 N ATOM 436 CA LEU A 179 4.032 -2.424 -2.008 1.00 0.00 C ATOM 437 C LEU A 179 5.041 -2.865 -0.959 1.00 0.00 C ATOM 438 O LEU A 179 6.053 -2.202 -0.747 1.00 0.00 O ATOM 439 CB LEU A 179 3.014 -1.483 -1.365 1.00 0.00 C ATOM 440 CG LEU A 179 2.052 -0.748 -2.293 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.086 0.091 -1.471 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.820 0.141 -3.265 1.00 0.00 C ATOM 0 H LEU A 179 2.387 -3.649 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 179 4.537 -1.881 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.422 -2.062 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.562 -0.737 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 179 1.490 -1.483 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 179 0.401 0.614 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 179 0.519 -0.557 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.646 0.818 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.117 0.657 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.401 0.874 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.491 -0.472 -3.866 1.00 0.00 H new ATOM 454 N ARG A 180 4.767 -4.000 -0.329 1.00 0.00 N ATOM 455 CA ARG A 180 5.664 -4.560 0.665 1.00 0.00 C ATOM 456 C ARG A 180 6.997 -4.899 0.033 1.00 0.00 C ATOM 457 O ARG A 180 8.019 -4.402 0.462 1.00 0.00 O ATOM 458 CB ARG A 180 5.081 -5.805 1.314 1.00 0.00 C ATOM 459 CG ARG A 180 3.761 -5.587 2.010 1.00 0.00 C ATOM 460 CD ARG A 180 3.285 -6.872 2.632 1.00 0.00 C ATOM 461 NE ARG A 180 1.974 -6.743 3.255 1.00 0.00 N ATOM 462 CZ ARG A 180 1.474 -7.601 4.148 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.189 -8.658 4.537 1.00 0.00 N ATOM 464 NH2 ARG A 180 0.249 -7.416 4.618 1.00 0.00 N ATOM 0 H ARG A 180 3.925 -4.551 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 180 5.803 -3.806 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.952 -6.571 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.799 -6.193 2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.868 -4.820 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.021 -5.223 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.245 -7.648 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 180 4.008 -7.199 3.380 1.00 0.00 H new ATOM 0 HE ARG A 180 1.399 -5.943 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.121 -8.813 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 180 1.804 -9.311 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -0.306 -6.622 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -0.139 -8.067 5.300 1.00 0.00 H new ATOM 478 N GLN A 181 6.975 -5.696 -1.045 1.00 0.00 N ATOM 479 CA GLN A 181 8.220 -6.106 -1.711 1.00 0.00 C ATOM 480 C GLN A 181 8.914 -4.933 -2.376 1.00 0.00 C ATOM 481 O GLN A 181 10.139 -4.927 -2.569 1.00 0.00 O ATOM 482 CB GLN A 181 7.998 -7.320 -2.648 1.00 0.00 C ATOM 483 CG GLN A 181 7.076 -7.183 -3.895 1.00 0.00 C ATOM 484 CD GLN A 181 7.660 -6.386 -5.072 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.372 -6.930 -5.909 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.275 -5.159 -5.213 1.00 0.00 N ATOM 0 H GLN A 181 6.124 -6.065 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 181 8.912 -6.455 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.978 -7.639 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.600 -8.131 -2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 181 6.822 -8.183 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.145 -6.708 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.683 -4.726 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.564 -4.625 -6.033 1.00 0.00 H new ATOM 495 N TYR A 182 8.125 -3.943 -2.673 1.00 0.00 N ATOM 496 CA TYR A 182 8.595 -2.702 -3.244 1.00 0.00 C ATOM 497 C TYR A 182 9.432 -1.946 -2.223 1.00 0.00 C ATOM 498 O TYR A 182 10.592 -1.630 -2.473 1.00 0.00 O ATOM 499 CB TYR A 182 7.403 -1.841 -3.701 1.00 0.00 C ATOM 500 CG TYR A 182 7.783 -0.456 -4.162 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.312 -0.240 -5.423 1.00 0.00 C ATOM 502 CD2 TYR A 182 7.634 0.636 -3.315 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.680 1.023 -5.827 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.004 1.893 -3.712 1.00 0.00 C ATOM 505 CZ TYR A 182 8.525 2.083 -4.965 1.00 0.00 C ATOM 506 OH TYR A 182 8.905 3.340 -5.350 1.00 0.00 O ATOM 0 H TYR A 182 7.116 -3.970 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 182 9.215 -2.924 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.889 -2.354 -4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.693 -1.756 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.437 -1.073 -6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.220 0.491 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.088 1.181 -6.815 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.886 2.731 -3.041 1.00 0.00 H new ATOM 0 HH TYR A 182 8.726 3.973 -4.623 1.00 0.00 H new ATOM 516 N ALA A 183 8.836 -1.685 -1.070 1.00 0.00 N ATOM 517 CA ALA A 183 9.476 -0.930 -0.008 1.00 0.00 C ATOM 518 C ALA A 183 10.612 -1.721 0.626 1.00 0.00 C ATOM 519 O ALA A 183 11.665 -1.156 0.958 1.00 0.00 O ATOM 520 CB ALA A 183 8.452 -0.528 1.042 1.00 0.00 C ATOM 0 H ALA A 183 7.890 -1.993 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 183 9.904 -0.028 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 183 8.945 0.038 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.681 0.089 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 183 7.995 -1.422 1.466 1.00 0.00 H new ATOM 526 N GLU A 184 10.397 -3.023 0.751 1.00 0.00 N ATOM 527 CA GLU A 184 11.346 -3.964 1.338 1.00 0.00 C ATOM 528 C GLU A 184 12.680 -3.903 0.626 1.00 0.00 C ATOM 529 O GLU A 184 13.728 -3.784 1.252 1.00 0.00 O ATOM 530 CB GLU A 184 10.778 -5.382 1.216 1.00 0.00 C ATOM 531 CG GLU A 184 11.676 -6.491 1.720 1.00 0.00 C ATOM 532 CD GLU A 184 11.090 -7.848 1.451 1.00 0.00 C ATOM 533 OE1 GLU A 184 11.335 -8.410 0.362 1.00 0.00 O ATOM 534 OE2 GLU A 184 10.372 -8.392 2.317 1.00 0.00 O ATOM 0 H GLU A 184 9.534 -3.468 0.439 1.00 0.00 H new ATOM 0 HA GLU A 184 11.499 -3.700 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.836 -5.425 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.548 -5.573 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.652 -6.415 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.837 -6.370 2.791 1.00 0.00 H new