USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=2 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+ 158:sc= -0.137 (180deg=-0.624) USER MOD Single : A 173 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.2) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.106 -7.485 -0.639 1.00 0.00 N ATOM 265 CA LYS A 169 -9.945 -7.374 0.184 1.00 0.00 C ATOM 266 C LYS A 169 -8.734 -7.912 -0.547 1.00 0.00 C ATOM 267 O LYS A 169 -7.595 -7.619 -0.188 1.00 0.00 O ATOM 268 CB LYS A 169 -10.189 -8.089 1.509 1.00 0.00 C ATOM 269 CG LYS A 169 -9.181 -7.767 2.588 1.00 0.00 C ATOM 270 CD LYS A 169 -9.600 -8.360 3.915 1.00 0.00 C ATOM 271 CE LYS A 169 -8.680 -7.908 5.031 1.00 0.00 C ATOM 272 NZ LYS A 169 -8.662 -6.435 5.154 1.00 0.00 N ATOM 0 HA LYS A 169 -9.744 -6.326 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.184 -7.830 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -10.184 -9.165 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.203 -8.156 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.079 -6.686 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -10.624 -8.064 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.590 -9.448 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.005 -8.349 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.670 -8.271 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.349 -6.170 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.007 -6.036 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.618 -6.061 4.987 1.00 0.00 H new ATOM 286 N GLU A 170 -8.989 -8.653 -1.612 1.00 0.00 N ATOM 287 CA GLU A 170 -7.928 -9.189 -2.428 1.00 0.00 C ATOM 288 C GLU A 170 -7.260 -8.042 -3.177 1.00 0.00 C ATOM 289 O GLU A 170 -6.036 -7.992 -3.290 1.00 0.00 O ATOM 290 CB GLU A 170 -8.470 -10.250 -3.397 1.00 0.00 C ATOM 291 CG GLU A 170 -7.409 -10.917 -4.274 1.00 0.00 C ATOM 292 CD GLU A 170 -6.342 -11.683 -3.494 1.00 0.00 C ATOM 293 OE1 GLU A 170 -6.427 -11.780 -2.255 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.410 -12.232 -4.135 1.00 0.00 O ATOM 0 H GLU A 170 -9.928 -8.895 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.189 -9.681 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.982 -11.021 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.216 -9.786 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -7.902 -11.603 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -6.922 -10.153 -4.880 1.00 0.00 H new ATOM 301 N ALA A 171 -8.081 -7.102 -3.648 1.00 0.00 N ATOM 302 CA ALA A 171 -7.604 -5.905 -4.321 1.00 0.00 C ATOM 303 C ALA A 171 -6.735 -5.096 -3.385 1.00 0.00 C ATOM 304 O ALA A 171 -5.650 -4.640 -3.759 1.00 0.00 O ATOM 305 CB ALA A 171 -8.775 -5.062 -4.786 1.00 0.00 C ATOM 0 H ALA A 171 -9.097 -7.155 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 171 -7.016 -6.205 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -8.404 -4.169 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -9.387 -5.640 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.378 -4.770 -3.926 1.00 0.00 H new ATOM 311 N ALA A 172 -7.211 -4.939 -2.159 1.00 0.00 N ATOM 312 CA ALA A 172 -6.483 -4.224 -1.125 1.00 0.00 C ATOM 313 C ALA A 172 -5.148 -4.918 -0.847 1.00 0.00 C ATOM 314 O ALA A 172 -4.095 -4.276 -0.842 1.00 0.00 O ATOM 315 CB ALA A 172 -7.322 -4.140 0.139 1.00 0.00 C ATOM 0 H ALA A 172 -8.113 -5.304 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.277 -3.210 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.768 -3.602 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.251 -3.612 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.550 -5.146 0.492 1.00 0.00 H new ATOM 321 N GLN A 173 -5.212 -6.234 -0.677 1.00 0.00 N ATOM 322 CA GLN A 173 -4.051 -7.075 -0.428 1.00 0.00 C ATOM 323 C GLN A 173 -3.018 -6.891 -1.528 1.00 0.00 C ATOM 324 O GLN A 173 -1.901 -6.459 -1.253 1.00 0.00 O ATOM 325 CB GLN A 173 -4.514 -8.559 -0.298 1.00 0.00 C ATOM 326 CG GLN A 173 -3.451 -9.652 0.003 1.00 0.00 C ATOM 327 CD GLN A 173 -2.572 -10.052 -1.190 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.471 -9.525 -1.400 1.00 0.00 O ATOM 329 NE2 GLN A 173 -3.061 -10.962 -1.984 1.00 0.00 N ATOM 0 H GLN A 173 -6.089 -6.754 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.572 -6.784 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.264 -8.602 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.013 -8.831 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -2.806 -9.298 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.962 -10.541 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.971 -11.378 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.534 -11.259 -2.805 1.00 0.00 H new ATOM 338 N LEU A 174 -3.414 -7.143 -2.776 1.00 0.00 N ATOM 339 CA LEU A 174 -2.487 -7.100 -3.886 1.00 0.00 C ATOM 340 C LEU A 174 -1.818 -5.742 -4.044 1.00 0.00 C ATOM 341 O LEU A 174 -0.615 -5.680 -4.211 1.00 0.00 O ATOM 342 CB LEU A 174 -3.133 -7.627 -5.202 1.00 0.00 C ATOM 343 CG LEU A 174 -4.345 -6.866 -5.781 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.933 -5.694 -6.660 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.267 -7.803 -6.527 1.00 0.00 C ATOM 0 H LEU A 174 -4.372 -7.378 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.677 -7.789 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.357 -7.648 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.440 -8.659 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.888 -6.449 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.824 -5.194 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.344 -4.989 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.336 -6.058 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.112 -7.241 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.724 -8.271 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.631 -8.573 -5.847 1.00 0.00 H new ATOM 357 N ARG A 175 -2.578 -4.661 -3.917 1.00 0.00 N ATOM 358 CA ARG A 175 -2.016 -3.335 -4.115 1.00 0.00 C ATOM 359 C ARG A 175 -1.064 -2.929 -2.980 1.00 0.00 C ATOM 360 O ARG A 175 0.047 -2.460 -3.229 1.00 0.00 O ATOM 361 CB ARG A 175 -3.102 -2.271 -4.341 1.00 0.00 C ATOM 362 CG ARG A 175 -4.016 -2.052 -3.166 1.00 0.00 C ATOM 363 CD ARG A 175 -5.090 -1.034 -3.461 1.00 0.00 C ATOM 364 NE ARG A 175 -6.014 -1.470 -4.515 1.00 0.00 N ATOM 365 CZ ARG A 175 -7.257 -0.991 -4.675 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.741 -0.087 -3.830 1.00 0.00 N ATOM 367 NH2 ARG A 175 -8.009 -1.418 -5.670 1.00 0.00 N ATOM 0 H ARG A 175 -3.570 -4.677 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.423 -3.391 -5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.620 -1.326 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.703 -2.561 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.481 -2.998 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -3.430 -1.721 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -5.654 -0.833 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -4.622 -0.096 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.690 -2.183 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -7.167 0.246 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.687 0.274 -3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.646 -2.115 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.954 -1.052 -5.789 1.00 0.00 H new ATOM 381 N GLU A 176 -1.465 -3.169 -1.747 1.00 0.00 N ATOM 382 CA GLU A 176 -0.671 -2.752 -0.618 1.00 0.00 C ATOM 383 C GLU A 176 0.558 -3.627 -0.456 1.00 0.00 C ATOM 384 O GLU A 176 1.663 -3.131 -0.175 1.00 0.00 O ATOM 385 CB GLU A 176 -1.509 -2.737 0.651 1.00 0.00 C ATOM 386 CG GLU A 176 -2.669 -1.754 0.593 1.00 0.00 C ATOM 387 CD GLU A 176 -3.491 -1.749 1.847 1.00 0.00 C ATOM 388 OE1 GLU A 176 -3.140 -1.017 2.798 1.00 0.00 O ATOM 389 OE2 GLU A 176 -4.510 -2.461 1.907 1.00 0.00 O ATOM 0 H GLU A 176 -2.332 -3.649 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.325 -1.736 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.899 -3.739 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.870 -2.485 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.281 -0.751 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -3.308 -2.003 -0.254 1.00 0.00 H new ATOM 396 N GLU A 177 0.392 -4.910 -0.680 1.00 0.00 N ATOM 397 CA GLU A 177 1.481 -5.835 -0.524 1.00 0.00 C ATOM 398 C GLU A 177 2.484 -5.759 -1.664 1.00 0.00 C ATOM 399 O GLU A 177 3.677 -6.002 -1.449 1.00 0.00 O ATOM 400 CB GLU A 177 0.990 -7.250 -0.293 1.00 0.00 C ATOM 401 CG GLU A 177 0.241 -7.418 1.021 1.00 0.00 C ATOM 402 CD GLU A 177 1.095 -7.056 2.209 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.118 -7.745 2.449 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.751 -6.116 2.947 1.00 0.00 O ATOM 0 H GLU A 177 -0.489 -5.333 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 177 2.018 -5.529 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.336 -7.540 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.842 -7.930 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.651 -6.792 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.095 -8.451 1.117 1.00 0.00 H new ATOM 411 N ARG A 178 2.035 -5.383 -2.872 1.00 0.00 N ATOM 412 CA ARG A 178 2.975 -5.227 -3.983 1.00 0.00 C ATOM 413 C ARG A 178 3.894 -4.033 -3.735 1.00 0.00 C ATOM 414 O ARG A 178 5.040 -4.021 -4.182 1.00 0.00 O ATOM 415 CB ARG A 178 2.287 -5.164 -5.370 1.00 0.00 C ATOM 416 CG ARG A 178 1.416 -3.945 -5.623 1.00 0.00 C ATOM 417 CD ARG A 178 0.622 -4.097 -6.914 1.00 0.00 C ATOM 418 NE ARG A 178 -0.297 -2.972 -7.133 1.00 0.00 N ATOM 419 CZ ARG A 178 -1.292 -2.943 -8.035 1.00 0.00 C ATOM 420 NH1 ARG A 178 -1.562 -4.012 -8.778 1.00 0.00 N ATOM 421 NH2 ARG A 178 -2.036 -1.858 -8.156 1.00 0.00 N ATOM 0 H ARG A 178 1.059 -5.188 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 178 3.585 -6.129 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.059 -5.201 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.673 -6.057 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.732 -3.803 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.040 -3.053 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.310 -4.171 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.055 -5.027 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 178 -0.169 -2.144 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -1.012 -4.863 -8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -2.319 -3.981 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.854 -1.046 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -2.792 -1.832 -8.840 1.00 0.00 H new ATOM 435 N LEU A 179 3.400 -3.035 -3.006 1.00 0.00 N ATOM 436 CA LEU A 179 4.250 -1.921 -2.593 1.00 0.00 C ATOM 437 C LEU A 179 5.150 -2.332 -1.440 1.00 0.00 C ATOM 438 O LEU A 179 6.298 -1.895 -1.360 1.00 0.00 O ATOM 439 CB LEU A 179 3.455 -0.647 -2.241 1.00 0.00 C ATOM 440 CG LEU A 179 3.072 0.300 -3.405 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.314 0.859 -4.088 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.184 -0.381 -4.416 1.00 0.00 C ATOM 0 H LEU A 179 2.431 -2.974 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 179 4.868 -1.668 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.537 -0.951 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 179 4.038 -0.075 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 179 2.510 1.126 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.015 1.521 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.907 1.418 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.910 0.038 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 179 1.939 0.319 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 179 2.704 -1.243 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 179 1.266 -0.712 -3.930 1.00 0.00 H new ATOM 454 N ARG A 180 4.633 -3.189 -0.561 1.00 0.00 N ATOM 455 CA ARG A 180 5.416 -3.694 0.562 1.00 0.00 C ATOM 456 C ARG A 180 6.648 -4.428 0.103 1.00 0.00 C ATOM 457 O ARG A 180 7.749 -4.056 0.476 1.00 0.00 O ATOM 458 CB ARG A 180 4.606 -4.586 1.502 1.00 0.00 C ATOM 459 CG ARG A 180 3.662 -3.846 2.429 1.00 0.00 C ATOM 460 CD ARG A 180 4.417 -2.859 3.326 1.00 0.00 C ATOM 461 NE ARG A 180 5.590 -3.474 3.999 1.00 0.00 N ATOM 462 CZ ARG A 180 5.623 -3.879 5.282 1.00 0.00 C ATOM 463 NH1 ARG A 180 4.535 -3.790 6.044 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.759 -4.372 5.800 1.00 0.00 N ATOM 0 H ARG A 180 3.679 -3.546 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 180 5.719 -2.810 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.027 -5.289 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.297 -5.175 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 180 2.918 -3.309 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.122 -4.562 3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 180 4.751 -2.012 2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 180 3.735 -2.466 4.081 1.00 0.00 H new ATOM 0 HE ARG A 180 6.437 -3.599 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.670 -3.413 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 180 4.566 -4.099 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 180 7.596 -4.439 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 180 6.785 -4.679 6.772 1.00 0.00 H new ATOM 478 N GLN A 181 6.465 -5.449 -0.727 1.00 0.00 N ATOM 479 CA GLN A 181 7.582 -6.244 -1.232 1.00 0.00 C ATOM 480 C GLN A 181 8.564 -5.377 -2.013 1.00 0.00 C ATOM 481 O GLN A 181 9.779 -5.530 -1.888 1.00 0.00 O ATOM 482 CB GLN A 181 7.064 -7.404 -2.077 1.00 0.00 C ATOM 483 CG GLN A 181 6.185 -6.988 -3.235 1.00 0.00 C ATOM 484 CD GLN A 181 5.658 -8.157 -4.014 1.00 0.00 C ATOM 485 OE1 GLN A 181 4.594 -8.695 -3.702 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.378 -8.563 -5.020 1.00 0.00 N ATOM 0 H GLN A 181 5.551 -5.748 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 181 8.125 -6.659 -0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.915 -7.964 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.502 -8.083 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.347 -6.402 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.753 -6.339 -3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.253 -8.090 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.067 -9.354 -5.583 1.00 0.00 H new ATOM 495 N TYR A 182 8.015 -4.442 -2.767 1.00 0.00 N ATOM 496 CA TYR A 182 8.783 -3.491 -3.538 1.00 0.00 C ATOM 497 C TYR A 182 9.727 -2.688 -2.644 1.00 0.00 C ATOM 498 O TYR A 182 10.944 -2.751 -2.815 1.00 0.00 O ATOM 499 CB TYR A 182 7.826 -2.568 -4.315 1.00 0.00 C ATOM 500 CG TYR A 182 8.461 -1.331 -4.906 1.00 0.00 C ATOM 501 CD1 TYR A 182 9.359 -1.410 -5.958 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.151 -0.077 -4.398 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.933 -0.275 -6.479 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.718 1.061 -4.916 1.00 0.00 C ATOM 505 CZ TYR A 182 9.604 0.961 -5.952 1.00 0.00 C ATOM 506 OH TYR A 182 10.180 2.107 -6.464 1.00 0.00 O ATOM 0 H TYR A 182 7.006 -4.323 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 182 9.404 -4.033 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.368 -3.142 -5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.022 -2.260 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 182 9.611 -2.375 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.451 0.005 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 182 10.637 -0.348 -7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 182 8.466 2.029 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 182 9.839 2.888 -5.981 1.00 0.00 H new ATOM 516 N ALA A 183 9.164 -1.995 -1.668 1.00 0.00 N ATOM 517 CA ALA A 183 9.933 -1.129 -0.790 1.00 0.00 C ATOM 518 C ALA A 183 10.848 -1.921 0.138 1.00 0.00 C ATOM 519 O ALA A 183 12.023 -1.573 0.304 1.00 0.00 O ATOM 520 CB ALA A 183 9.002 -0.230 0.010 1.00 0.00 C ATOM 0 H ALA A 183 8.165 -2.017 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 183 10.573 -0.509 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.591 0.414 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.415 0.385 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.332 -0.844 0.612 1.00 0.00 H new ATOM 526 N GLU A 184 10.327 -2.999 0.701 1.00 0.00 N ATOM 527 CA GLU A 184 11.063 -3.814 1.659 1.00 0.00 C ATOM 528 C GLU A 184 12.315 -4.389 1.010 1.00 0.00 C ATOM 529 O GLU A 184 13.425 -4.271 1.542 1.00 0.00 O ATOM 530 CB GLU A 184 10.182 -4.965 2.155 1.00 0.00 C ATOM 531 CG GLU A 184 10.740 -5.706 3.353 1.00 0.00 C ATOM 532 CD GLU A 184 10.821 -4.823 4.570 1.00 0.00 C ATOM 533 OE1 GLU A 184 9.771 -4.616 5.234 1.00 0.00 O ATOM 534 OE2 GLU A 184 11.923 -4.326 4.899 1.00 0.00 O ATOM 0 H GLU A 184 9.383 -3.335 0.508 1.00 0.00 H new ATOM 0 HA GLU A 184 11.349 -3.183 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.199 -4.570 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.037 -5.674 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.111 -6.569 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.733 -6.087 3.114 1.00 0.00 H new