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= -0.132 X(o=-0.13,f=-0.42) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -10.825 -7.735 -0.226 1.00 0.00 N ATOM 265 CA LYS A 169 -9.622 -8.204 0.416 1.00 0.00 C ATOM 266 C LYS A 169 -8.569 -8.492 -0.620 1.00 0.00 C ATOM 267 O LYS A 169 -7.413 -8.194 -0.418 1.00 0.00 O ATOM 268 CB LYS A 169 -9.918 -9.463 1.253 1.00 0.00 C ATOM 269 CG LYS A 169 -8.773 -9.916 2.148 1.00 0.00 C ATOM 270 CD LYS A 169 -8.477 -8.875 3.217 1.00 0.00 C ATOM 271 CE LYS A 169 -7.320 -9.289 4.103 1.00 0.00 C ATOM 272 NZ LYS A 169 -7.038 -8.280 5.144 1.00 0.00 N ATOM 0 HA LYS A 169 -9.251 -7.428 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -10.793 -9.272 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -10.178 -10.278 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.028 -10.865 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.881 -10.089 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.247 -7.921 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.366 -8.720 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.548 -10.245 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -6.430 -9.439 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.240 -8.599 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.796 -7.374 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.879 -8.155 5.743 1.00 0.00 H new ATOM 286 N GLU A 170 -9.006 -9.024 -1.745 1.00 0.00 N ATOM 287 CA GLU A 170 -8.134 -9.348 -2.838 1.00 0.00 C ATOM 288 C GLU A 170 -7.478 -8.066 -3.364 1.00 0.00 C ATOM 289 O GLU A 170 -6.250 -7.964 -3.414 1.00 0.00 O ATOM 290 CB GLU A 170 -8.939 -10.028 -3.949 1.00 0.00 C ATOM 291 CG GLU A 170 -8.098 -10.678 -5.023 1.00 0.00 C ATOM 292 CD GLU A 170 -7.305 -11.836 -4.493 1.00 0.00 C ATOM 293 OE1 GLU A 170 -7.862 -12.943 -4.374 1.00 0.00 O ATOM 294 OE2 GLU A 170 -6.117 -11.667 -4.170 1.00 0.00 O ATOM 0 H GLU A 170 -9.987 -9.242 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.355 -10.031 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -9.584 -10.785 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.591 -9.288 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -8.744 -11.021 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -7.420 -9.939 -5.449 1.00 0.00 H new ATOM 301 N ALA A 171 -8.309 -7.071 -3.695 1.00 0.00 N ATOM 302 CA ALA A 171 -7.826 -5.800 -4.245 1.00 0.00 C ATOM 303 C ALA A 171 -6.955 -5.039 -3.251 1.00 0.00 C ATOM 304 O ALA A 171 -5.907 -4.481 -3.618 1.00 0.00 O ATOM 305 CB ALA A 171 -8.987 -4.932 -4.705 1.00 0.00 C ATOM 0 H ALA A 171 -9.322 -7.122 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 171 -7.205 -6.042 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -8.603 -3.995 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -9.550 -5.456 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.641 -4.721 -3.859 1.00 0.00 H new ATOM 311 N ALA A 172 -7.376 -5.029 -2.003 1.00 0.00 N ATOM 312 CA ALA A 172 -6.648 -4.348 -0.956 1.00 0.00 C ATOM 313 C ALA A 172 -5.298 -5.012 -0.708 1.00 0.00 C ATOM 314 O ALA A 172 -4.275 -4.333 -0.621 1.00 0.00 O ATOM 315 CB ALA A 172 -7.471 -4.293 0.321 1.00 0.00 C ATOM 0 H ALA A 172 -8.229 -5.491 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.461 -3.325 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.905 -3.777 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.401 -3.756 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.698 -5.307 0.652 1.00 0.00 H new ATOM 321 N GLN A 173 -5.297 -6.332 -0.634 1.00 0.00 N ATOM 322 CA GLN A 173 -4.084 -7.100 -0.389 1.00 0.00 C ATOM 323 C GLN A 173 -3.092 -6.894 -1.511 1.00 0.00 C ATOM 324 O GLN A 173 -1.924 -6.560 -1.255 1.00 0.00 O ATOM 325 CB GLN A 173 -4.442 -8.594 -0.181 1.00 0.00 C ATOM 326 CG GLN A 173 -3.294 -9.587 0.085 1.00 0.00 C ATOM 327 CD GLN A 173 -2.617 -10.136 -1.170 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.613 -9.611 -1.649 1.00 0.00 O ATOM 329 NE2 GLN A 173 -3.179 -11.181 -1.718 1.00 0.00 N ATOM 0 H GLN A 173 -6.135 -6.903 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.605 -6.747 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.137 -8.656 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.978 -8.934 -1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -2.541 -9.094 0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.683 -10.423 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -4.011 -11.593 -1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.785 -11.585 -2.568 1.00 0.00 H new ATOM 338 N LEU A 174 -3.563 -7.024 -2.752 1.00 0.00 N ATOM 339 CA LEU A 174 -2.686 -6.939 -3.891 1.00 0.00 C ATOM 340 C LEU A 174 -1.991 -5.594 -4.011 1.00 0.00 C ATOM 341 O LEU A 174 -0.785 -5.555 -4.172 1.00 0.00 O ATOM 342 CB LEU A 174 -3.385 -7.378 -5.206 1.00 0.00 C ATOM 343 CG LEU A 174 -4.554 -6.521 -5.748 1.00 0.00 C ATOM 344 CD1 LEU A 174 -4.082 -5.344 -6.602 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.520 -7.379 -6.512 1.00 0.00 C ATOM 0 H LEU A 174 -4.544 -7.187 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.888 -7.660 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.623 -7.428 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.758 -8.392 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 174 -5.061 -6.092 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.946 -4.780 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.443 -4.694 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.520 -5.718 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.337 -6.762 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -5.005 -7.848 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.920 -8.150 -5.854 1.00 0.00 H new ATOM 357 N ARG A 175 -2.733 -4.499 -3.858 1.00 0.00 N ATOM 358 CA ARG A 175 -2.158 -3.180 -4.082 1.00 0.00 C ATOM 359 C ARG A 175 -1.147 -2.795 -3.014 1.00 0.00 C ATOM 360 O ARG A 175 -0.060 -2.279 -3.323 1.00 0.00 O ATOM 361 CB ARG A 175 -3.224 -2.091 -4.252 1.00 0.00 C ATOM 362 CG ARG A 175 -4.052 -1.780 -3.026 1.00 0.00 C ATOM 363 CD ARG A 175 -5.070 -0.703 -3.336 1.00 0.00 C ATOM 364 NE ARG A 175 -5.797 -0.236 -2.146 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.880 0.573 -2.179 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.382 0.968 -3.341 1.00 0.00 N ATOM 367 NH2 ARG A 175 -7.432 1.006 -1.045 1.00 0.00 N ATOM 0 H ARG A 175 -3.716 -4.500 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.619 -3.253 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.731 -1.174 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.897 -2.391 -5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.560 -2.682 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -3.403 -1.453 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.564 0.143 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -5.785 -1.086 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.461 -0.543 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.951 0.662 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.199 1.578 -3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.037 0.727 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.249 1.616 -1.076 1.00 0.00 H new ATOM 381 N GLU A 176 -1.472 -3.103 -1.781 1.00 0.00 N ATOM 382 CA GLU A 176 -0.637 -2.732 -0.676 1.00 0.00 C ATOM 383 C GLU A 176 0.631 -3.558 -0.682 1.00 0.00 C ATOM 384 O GLU A 176 1.730 -3.019 -0.815 1.00 0.00 O ATOM 385 CB GLU A 176 -1.376 -2.934 0.642 1.00 0.00 C ATOM 386 CG GLU A 176 -2.672 -2.156 0.778 1.00 0.00 C ATOM 387 CD GLU A 176 -2.503 -0.664 0.764 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.022 -0.114 1.778 1.00 0.00 O ATOM 389 OE2 GLU A 176 -2.945 -0.011 -0.197 1.00 0.00 O ATOM 0 H GLU A 176 -2.316 -3.613 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.379 -1.678 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.593 -3.996 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.713 -2.651 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -3.340 -2.442 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -3.160 -2.446 1.709 1.00 0.00 H new ATOM 396 N GLU A 177 0.471 -4.873 -0.624 1.00 0.00 N ATOM 397 CA GLU A 177 1.598 -5.779 -0.495 1.00 0.00 C ATOM 398 C GLU A 177 2.586 -5.709 -1.652 1.00 0.00 C ATOM 399 O GLU A 177 3.791 -5.859 -1.428 1.00 0.00 O ATOM 400 CB GLU A 177 1.142 -7.202 -0.229 1.00 0.00 C ATOM 401 CG GLU A 177 0.497 -7.384 1.137 1.00 0.00 C ATOM 402 CD GLU A 177 1.466 -7.151 2.288 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.380 -7.978 2.496 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.308 -6.169 3.044 1.00 0.00 O ATOM 0 H GLU A 177 -0.437 -5.336 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 177 2.152 -5.432 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.431 -7.498 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.998 -7.871 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.343 -6.695 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.091 -8.393 1.210 1.00 0.00 H new ATOM 411 N ARG A 178 2.114 -5.444 -2.879 1.00 0.00 N ATOM 412 CA ARG A 178 3.046 -5.335 -3.986 1.00 0.00 C ATOM 413 C ARG A 178 3.940 -4.108 -3.821 1.00 0.00 C ATOM 414 O ARG A 178 5.140 -4.202 -3.998 1.00 0.00 O ATOM 415 CB ARG A 178 2.359 -5.365 -5.364 1.00 0.00 C ATOM 416 CG ARG A 178 1.405 -4.225 -5.632 1.00 0.00 C ATOM 417 CD ARG A 178 0.698 -4.388 -6.960 1.00 0.00 C ATOM 418 NE ARG A 178 1.602 -4.218 -8.115 1.00 0.00 N ATOM 419 CZ ARG A 178 1.629 -5.005 -9.207 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.970 -6.153 -9.219 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.342 -4.642 -10.275 1.00 0.00 N ATOM 0 H ARG A 178 1.131 -5.308 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 178 3.676 -6.224 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.129 -5.363 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.814 -6.304 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.668 -4.172 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.953 -3.283 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.242 -5.377 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -0.111 -3.660 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 178 2.261 -3.440 -8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 178 0.439 -6.445 -8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.993 -6.746 -10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 178 2.867 -3.768 -10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.362 -5.239 -11.102 1.00 0.00 H new ATOM 435 N LEU A 179 3.366 -2.976 -3.405 1.00 0.00 N ATOM 436 CA LEU A 179 4.168 -1.772 -3.183 1.00 0.00 C ATOM 437 C LEU A 179 5.059 -1.931 -1.958 1.00 0.00 C ATOM 438 O LEU A 179 6.205 -1.463 -1.941 1.00 0.00 O ATOM 439 CB LEU A 179 3.303 -0.501 -3.066 1.00 0.00 C ATOM 440 CG LEU A 179 2.901 0.220 -4.378 1.00 0.00 C ATOM 441 CD1 LEU A 179 2.134 -0.682 -5.327 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.091 1.465 -4.067 1.00 0.00 C ATOM 0 H LEU A 179 2.369 -2.869 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 179 4.800 -1.648 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.389 -0.765 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.839 0.213 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 179 3.825 0.503 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 179 1.877 -0.127 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 179 2.752 -1.540 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.221 -1.028 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 179 1.815 1.962 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 179 1.188 1.186 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.687 2.143 -3.456 1.00 0.00 H new ATOM 454 N ARG A 180 4.543 -2.618 -0.960 1.00 0.00 N ATOM 455 CA ARG A 180 5.269 -2.856 0.277 1.00 0.00 C ATOM 456 C ARG A 180 6.492 -3.744 0.061 1.00 0.00 C ATOM 457 O ARG A 180 7.561 -3.474 0.629 1.00 0.00 O ATOM 458 CB ARG A 180 4.359 -3.464 1.345 1.00 0.00 C ATOM 459 CG ARG A 180 3.227 -2.556 1.781 1.00 0.00 C ATOM 460 CD ARG A 180 2.333 -3.232 2.797 1.00 0.00 C ATOM 461 NE ARG A 180 1.215 -2.378 3.207 1.00 0.00 N ATOM 462 CZ ARG A 180 0.108 -2.796 3.824 1.00 0.00 C ATOM 463 NH1 ARG A 180 -0.124 -4.099 3.981 1.00 0.00 N ATOM 464 NH2 ARG A 180 -0.781 -1.905 4.236 1.00 0.00 N ATOM 0 H ARG A 180 3.609 -3.028 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 180 5.618 -1.885 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 180 3.938 -4.394 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.961 -3.721 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.637 -1.641 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 180 2.637 -2.266 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 180 1.944 -4.159 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 180 2.922 -3.502 3.674 1.00 0.00 H new ATOM 0 HE ARG A 180 1.289 -1.381 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 180 0.546 -4.782 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -0.972 -4.413 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -0.616 -0.910 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -1.631 -2.213 4.709 1.00 0.00 H new ATOM 478 N GLN A 181 6.361 -4.782 -0.777 1.00 0.00 N ATOM 479 CA GLN A 181 7.466 -5.695 -1.005 1.00 0.00 C ATOM 480 C GLN A 181 8.574 -5.028 -1.784 1.00 0.00 C ATOM 481 O GLN A 181 9.738 -5.326 -1.569 1.00 0.00 O ATOM 482 CB GLN A 181 7.032 -6.980 -1.700 1.00 0.00 C ATOM 483 CG GLN A 181 6.514 -6.812 -3.116 1.00 0.00 C ATOM 484 CD GLN A 181 6.336 -8.133 -3.833 1.00 0.00 C ATOM 485 OE1 GLN A 181 6.064 -9.160 -3.212 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.499 -8.129 -5.125 1.00 0.00 N ATOM 0 H GLN A 181 5.511 -5.000 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 181 7.843 -5.970 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.879 -7.666 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.254 -7.452 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.560 -6.286 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.207 -6.187 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.724 -7.259 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.402 -8.996 -5.654 1.00 0.00 H new ATOM 495 N TYR A 182 8.207 -4.113 -2.673 1.00 0.00 N ATOM 496 CA TYR A 182 9.164 -3.373 -3.450 1.00 0.00 C ATOM 497 C TYR A 182 10.102 -2.593 -2.535 1.00 0.00 C ATOM 498 O TYR A 182 11.322 -2.607 -2.713 1.00 0.00 O ATOM 499 CB TYR A 182 8.454 -2.397 -4.384 1.00 0.00 C ATOM 500 CG TYR A 182 7.589 -2.996 -5.475 1.00 0.00 C ATOM 501 CD1 TYR A 182 7.849 -4.250 -6.006 1.00 0.00 C ATOM 502 CD2 TYR A 182 6.512 -2.281 -5.987 1.00 0.00 C ATOM 503 CE1 TYR A 182 7.060 -4.774 -7.009 1.00 0.00 C ATOM 504 CE2 TYR A 182 5.719 -2.798 -6.990 1.00 0.00 C ATOM 505 CZ TYR A 182 5.997 -4.046 -7.494 1.00 0.00 C ATOM 506 OH TYR A 182 5.212 -4.570 -8.499 1.00 0.00 O ATOM 0 H TYR A 182 7.235 -3.871 -2.867 1.00 0.00 H new ATOM 0 HA TYR A 182 9.741 -4.085 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.829 -1.741 -3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 182 9.210 -1.770 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.682 -4.825 -5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 182 6.292 -1.301 -5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 182 7.276 -5.752 -7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 182 4.887 -2.227 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 182 4.504 -3.932 -8.727 1.00 0.00 H new ATOM 516 N ALA A 183 9.530 -1.941 -1.545 1.00 0.00 N ATOM 517 CA ALA A 183 10.286 -1.122 -0.612 1.00 0.00 C ATOM 518 C ALA A 183 11.034 -1.970 0.419 1.00 0.00 C ATOM 519 O ALA A 183 12.027 -1.530 0.992 1.00 0.00 O ATOM 520 CB ALA A 183 9.363 -0.131 0.076 1.00 0.00 C ATOM 0 H ALA A 183 8.527 -1.962 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 183 11.037 -0.575 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.938 0.478 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.899 0.513 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.589 -0.672 0.620 1.00 0.00 H new ATOM 526 N GLU A 184 10.555 -3.172 0.646 1.00 0.00 N ATOM 527 CA GLU A 184 11.162 -4.055 1.625 1.00 0.00 C ATOM 528 C GLU A 184 12.341 -4.802 0.989 1.00 0.00 C ATOM 529 O GLU A 184 13.480 -4.649 1.411 1.00 0.00 O ATOM 530 CB GLU A 184 10.108 -5.057 2.148 1.00 0.00 C ATOM 531 CG GLU A 184 10.393 -5.681 3.528 1.00 0.00 C ATOM 532 CD GLU A 184 11.668 -6.501 3.626 1.00 0.00 C ATOM 533 OE1 GLU A 184 11.651 -7.695 3.272 1.00 0.00 O ATOM 534 OE2 GLU A 184 12.685 -5.984 4.119 1.00 0.00 O ATOM 0 H GLU A 184 9.745 -3.564 0.166 1.00 0.00 H new ATOM 0 HA GLU A 184 11.533 -3.466 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.145 -4.549 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.010 -5.863 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.439 -4.881 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.551 -6.317 3.800 1.00 0.00 H new