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= -0.518 X(o=-0.52,f=-0.078) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.428 -5.862 -1.490 1.00 0.00 N ATOM 265 CA LYS A 169 -10.421 -5.828 -0.467 1.00 0.00 C ATOM 266 C LYS A 169 -9.283 -6.798 -0.766 1.00 0.00 C ATOM 267 O LYS A 169 -8.148 -6.550 -0.392 1.00 0.00 O ATOM 268 CB LYS A 169 -11.011 -6.011 0.931 1.00 0.00 C ATOM 269 CG LYS A 169 -9.972 -5.903 2.026 1.00 0.00 C ATOM 270 CD LYS A 169 -10.596 -5.759 3.383 1.00 0.00 C ATOM 271 CE LYS A 169 -9.525 -5.694 4.445 1.00 0.00 C ATOM 272 NZ LYS A 169 -10.075 -5.311 5.751 1.00 0.00 N ATOM 0 HA LYS A 169 -9.984 -4.829 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.784 -5.260 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.495 -6.986 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.337 -6.789 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.328 -5.046 1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.207 -4.857 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.260 -6.601 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.035 -6.664 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.761 -4.976 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -9.309 -5.277 6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.520 -4.374 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.786 -6.010 6.047 1.00 0.00 H new ATOM 286 N GLU A 170 -9.574 -7.870 -1.493 1.00 0.00 N ATOM 287 CA GLU A 170 -8.519 -8.774 -1.935 1.00 0.00 C ATOM 288 C GLU A 170 -7.580 -8.044 -2.896 1.00 0.00 C ATOM 289 O GLU A 170 -6.392 -8.390 -3.004 1.00 0.00 O ATOM 290 CB GLU A 170 -9.063 -10.042 -2.596 1.00 0.00 C ATOM 291 CG GLU A 170 -9.876 -9.809 -3.851 1.00 0.00 C ATOM 292 CD GLU A 170 -10.231 -11.095 -4.534 1.00 0.00 C ATOM 293 OE1 GLU A 170 -11.273 -11.679 -4.210 1.00 0.00 O ATOM 294 OE2 GLU A 170 -9.477 -11.538 -5.417 1.00 0.00 O ATOM 0 H GLU A 170 -10.515 -8.132 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.973 -9.089 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.225 -10.695 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.682 -10.574 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -10.788 -9.269 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -9.312 -9.177 -4.537 1.00 0.00 H new ATOM 301 N ALA A 171 -8.098 -7.008 -3.566 1.00 0.00 N ATOM 302 CA ALA A 171 -7.288 -6.225 -4.446 1.00 0.00 C ATOM 303 C ALA A 171 -6.445 -5.306 -3.599 1.00 0.00 C ATOM 304 O ALA A 171 -5.267 -5.156 -3.845 1.00 0.00 O ATOM 305 CB ALA A 171 -8.134 -5.450 -5.446 1.00 0.00 C ATOM 0 H ALA A 171 -9.071 -6.710 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.646 -6.876 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.484 -4.867 -6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.718 -6.148 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.807 -4.780 -4.911 1.00 0.00 H new ATOM 311 N ALA A 172 -7.060 -4.747 -2.549 1.00 0.00 N ATOM 312 CA ALA A 172 -6.363 -3.898 -1.570 1.00 0.00 C ATOM 313 C ALA A 172 -5.203 -4.660 -0.946 1.00 0.00 C ATOM 314 O ALA A 172 -4.106 -4.120 -0.765 1.00 0.00 O ATOM 315 CB ALA A 172 -7.321 -3.442 -0.483 1.00 0.00 C ATOM 0 H ALA A 172 -8.053 -4.869 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.977 -3.021 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.788 -2.815 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.134 -2.871 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.729 -4.312 0.031 1.00 0.00 H new ATOM 321 N GLN A 173 -5.459 -5.921 -0.645 1.00 0.00 N ATOM 322 CA GLN A 173 -4.466 -6.820 -0.105 1.00 0.00 C ATOM 323 C GLN A 173 -3.277 -6.944 -1.040 1.00 0.00 C ATOM 324 O GLN A 173 -2.147 -6.687 -0.649 1.00 0.00 O ATOM 325 CB GLN A 173 -5.063 -8.197 0.133 1.00 0.00 C ATOM 326 CG GLN A 173 -6.144 -8.268 1.208 1.00 0.00 C ATOM 327 CD GLN A 173 -5.720 -7.734 2.577 1.00 0.00 C ATOM 328 OE1 GLN A 173 -6.548 -7.220 3.330 1.00 0.00 O ATOM 329 NE2 GLN A 173 -4.468 -7.883 2.929 1.00 0.00 N ATOM 0 H GLN A 173 -6.375 -6.350 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.128 -6.404 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.484 -8.558 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.259 -8.880 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -7.014 -7.706 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -6.459 -9.306 1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.805 -8.312 2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -4.156 -7.570 3.848 1.00 0.00 H new ATOM 338 N LEU A 174 -3.540 -7.328 -2.276 1.00 0.00 N ATOM 339 CA LEU A 174 -2.473 -7.465 -3.269 1.00 0.00 C ATOM 340 C LEU A 174 -1.779 -6.123 -3.575 1.00 0.00 C ATOM 341 O LEU A 174 -0.608 -6.113 -3.960 1.00 0.00 O ATOM 342 CB LEU A 174 -2.957 -8.202 -4.541 1.00 0.00 C ATOM 343 CG LEU A 174 -4.030 -7.525 -5.399 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.432 -6.541 -6.409 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.905 -8.554 -6.072 1.00 0.00 C ATOM 0 H LEU A 174 -4.474 -7.551 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.705 -8.099 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.088 -8.382 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.338 -9.177 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.657 -6.935 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.233 -6.087 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.884 -5.762 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.753 -7.072 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.660 -8.051 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.293 -9.190 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.395 -9.166 -5.315 1.00 0.00 H new ATOM 357 N ARG A 175 -2.505 -4.985 -3.406 1.00 0.00 N ATOM 358 CA ARG A 175 -1.885 -3.654 -3.546 1.00 0.00 C ATOM 359 C ARG A 175 -0.768 -3.568 -2.523 1.00 0.00 C ATOM 360 O ARG A 175 0.372 -3.257 -2.851 1.00 0.00 O ATOM 361 CB ARG A 175 -2.854 -2.492 -3.231 1.00 0.00 C ATOM 362 CG ARG A 175 -4.173 -2.433 -3.984 1.00 0.00 C ATOM 363 CD ARG A 175 -4.048 -2.226 -5.482 1.00 0.00 C ATOM 364 NE ARG A 175 -5.388 -2.169 -6.084 1.00 0.00 N ATOM 365 CZ ARG A 175 -5.698 -1.697 -7.295 1.00 0.00 C ATOM 366 NH1 ARG A 175 -4.779 -1.116 -8.051 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.949 -1.759 -7.719 1.00 0.00 N ATOM 0 H ARG A 175 -3.499 -4.968 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.554 -3.554 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.080 -2.527 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.324 -1.557 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.718 -3.360 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.775 -1.624 -3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -3.506 -1.303 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.473 -3.039 -5.925 1.00 0.00 H new ATOM 0 HE ARG A 175 -6.159 -2.526 -5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -3.822 -1.025 -7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -5.028 -0.760 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.670 -2.165 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.193 -1.401 -8.642 1.00 0.00 H new ATOM 381 N GLU A 176 -1.127 -3.887 -1.278 1.00 0.00 N ATOM 382 CA GLU A 176 -0.211 -3.886 -0.157 1.00 0.00 C ATOM 383 C GLU A 176 0.939 -4.846 -0.420 1.00 0.00 C ATOM 384 O GLU A 176 2.076 -4.463 -0.317 1.00 0.00 O ATOM 385 CB GLU A 176 -0.962 -4.273 1.123 1.00 0.00 C ATOM 386 CG GLU A 176 -0.104 -4.373 2.379 1.00 0.00 C ATOM 387 CD GLU A 176 0.601 -3.090 2.746 1.00 0.00 C ATOM 388 OE1 GLU A 176 -0.072 -2.061 2.939 1.00 0.00 O ATOM 389 OE2 GLU A 176 1.837 -3.101 2.915 1.00 0.00 O ATOM 0 H GLU A 176 -2.078 -4.156 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 176 0.203 -2.886 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.749 -3.539 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.452 -5.233 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.734 -4.680 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 176 0.640 -5.156 2.236 1.00 0.00 H new ATOM 396 N GLU A 177 0.617 -6.070 -0.804 1.00 0.00 N ATOM 397 CA GLU A 177 1.615 -7.101 -1.099 1.00 0.00 C ATOM 398 C GLU A 177 2.682 -6.641 -2.093 1.00 0.00 C ATOM 399 O GLU A 177 3.896 -6.721 -1.789 1.00 0.00 O ATOM 400 CB GLU A 177 0.946 -8.374 -1.593 1.00 0.00 C ATOM 401 CG GLU A 177 0.209 -9.133 -0.510 1.00 0.00 C ATOM 402 CD GLU A 177 1.156 -9.685 0.528 1.00 0.00 C ATOM 403 OE1 GLU A 177 1.923 -10.622 0.191 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.147 -9.218 1.696 1.00 0.00 O ATOM 0 H GLU A 177 -0.346 -6.384 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 177 2.129 -7.304 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.245 -8.121 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.703 -9.025 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.513 -8.472 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.356 -9.950 -0.958 1.00 0.00 H new ATOM 411 N ARG A 178 2.257 -6.122 -3.249 1.00 0.00 N ATOM 412 CA ARG A 178 3.201 -5.704 -4.267 1.00 0.00 C ATOM 413 C ARG A 178 3.950 -4.441 -3.839 1.00 0.00 C ATOM 414 O ARG A 178 5.126 -4.273 -4.150 1.00 0.00 O ATOM 415 CB ARG A 178 2.512 -5.499 -5.623 1.00 0.00 C ATOM 416 CG ARG A 178 1.475 -4.397 -5.634 1.00 0.00 C ATOM 417 CD ARG A 178 0.828 -4.242 -6.986 1.00 0.00 C ATOM 418 NE ARG A 178 1.816 -3.966 -8.044 1.00 0.00 N ATOM 419 CZ ARG A 178 1.956 -2.798 -8.707 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.191 -1.755 -8.409 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.857 -2.690 -9.674 1.00 0.00 N ATOM 0 H ARG A 178 1.276 -5.986 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 178 3.930 -6.506 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.271 -5.275 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.036 -6.433 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.709 -4.613 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.944 -3.456 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.279 -5.151 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.101 -3.431 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 178 2.450 -4.724 -8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 178 0.489 -1.831 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.305 -0.877 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 178 3.443 -3.489 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.964 -1.808 -10.176 1.00 0.00 H new ATOM 435 N LEU A 179 3.281 -3.575 -3.103 1.00 0.00 N ATOM 436 CA LEU A 179 3.892 -2.344 -2.638 1.00 0.00 C ATOM 437 C LEU A 179 4.886 -2.642 -1.521 1.00 0.00 C ATOM 438 O LEU A 179 5.944 -2.035 -1.434 1.00 0.00 O ATOM 439 CB LEU A 179 2.812 -1.361 -2.157 1.00 0.00 C ATOM 440 CG LEU A 179 3.288 0.012 -1.670 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.003 0.765 -2.782 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.109 0.822 -1.148 1.00 0.00 C ATOM 0 H LEU A 179 2.311 -3.701 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 179 4.430 -1.882 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.108 -1.205 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.259 -1.835 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 179 3.997 -0.139 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.331 1.736 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.869 0.191 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 179 3.322 0.908 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.460 1.795 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 179 1.380 0.960 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 179 1.642 0.291 -0.318 1.00 0.00 H new ATOM 454 N ARG A 180 4.553 -3.611 -0.703 1.00 0.00 N ATOM 455 CA ARG A 180 5.368 -3.995 0.421 1.00 0.00 C ATOM 456 C ARG A 180 6.688 -4.594 -0.023 1.00 0.00 C ATOM 457 O ARG A 180 7.713 -4.182 0.454 1.00 0.00 O ATOM 458 CB ARG A 180 4.608 -4.936 1.359 1.00 0.00 C ATOM 459 CG ARG A 180 5.368 -5.320 2.615 1.00 0.00 C ATOM 460 CD ARG A 180 4.476 -6.072 3.586 1.00 0.00 C ATOM 461 NE ARG A 180 3.330 -5.253 4.028 1.00 0.00 N ATOM 462 CZ ARG A 180 2.565 -5.504 5.096 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.794 -6.567 5.857 1.00 0.00 N ATOM 464 NH2 ARG A 180 1.578 -4.675 5.396 1.00 0.00 N ATOM 0 H ARG A 180 3.699 -4.160 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 180 5.601 -3.090 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 180 3.670 -4.462 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.351 -5.844 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 180 6.225 -5.939 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 180 5.759 -4.423 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 180 4.110 -6.983 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 180 5.060 -6.377 4.454 1.00 0.00 H new ATOM 0 HE ARG A 180 3.103 -4.428 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.559 -7.202 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 180 2.205 -6.749 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 180 1.407 -3.854 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 180 0.988 -4.857 6.208 1.00 0.00 H new ATOM 478 N GLN A 181 6.666 -5.527 -0.977 1.00 0.00 N ATOM 479 CA GLN A 181 7.913 -6.146 -1.459 1.00 0.00 C ATOM 480 C GLN A 181 8.814 -5.102 -2.137 1.00 0.00 C ATOM 481 O GLN A 181 10.043 -5.166 -2.064 1.00 0.00 O ATOM 482 CB GLN A 181 7.611 -7.299 -2.405 1.00 0.00 C ATOM 483 CG GLN A 181 6.834 -6.899 -3.642 1.00 0.00 C ATOM 484 CD GLN A 181 6.641 -8.029 -4.614 1.00 0.00 C ATOM 485 OE1 GLN A 181 6.576 -9.201 -4.222 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.516 -7.703 -5.865 1.00 0.00 N ATOM 0 H GLN A 181 5.817 -5.869 -1.427 1.00 0.00 H new ATOM 0 HA GLN A 181 8.449 -6.546 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.551 -7.758 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.047 -8.059 -1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.858 -6.516 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.356 -6.083 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.576 -6.724 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.358 -8.426 -6.567 1.00 0.00 H new ATOM 495 N TYR A 182 8.168 -4.140 -2.752 1.00 0.00 N ATOM 496 CA TYR A 182 8.804 -3.011 -3.407 1.00 0.00 C ATOM 497 C TYR A 182 9.512 -2.170 -2.336 1.00 0.00 C ATOM 498 O TYR A 182 10.698 -1.824 -2.463 1.00 0.00 O ATOM 499 CB TYR A 182 7.684 -2.223 -4.104 1.00 0.00 C ATOM 500 CG TYR A 182 8.061 -1.001 -4.900 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.681 -1.107 -6.139 1.00 0.00 C ATOM 502 CD2 TYR A 182 7.723 0.262 -4.443 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.952 0.018 -6.895 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.002 1.388 -5.184 1.00 0.00 C ATOM 505 CZ TYR A 182 8.611 1.262 -6.407 1.00 0.00 C ATOM 506 OH TYR A 182 8.857 2.386 -7.167 1.00 0.00 O ATOM 0 H TYR A 182 7.150 -4.117 -2.815 1.00 0.00 H new ATOM 0 HA TYR A 182 9.550 -3.311 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.162 -2.908 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.969 -1.915 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.955 -2.081 -6.516 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.231 0.365 -3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.427 -0.076 -7.860 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.743 2.365 -4.805 1.00 0.00 H new ATOM 0 HH TYR A 182 8.557 3.182 -6.680 1.00 0.00 H new ATOM 516 N ALA A 183 8.779 -1.913 -1.259 1.00 0.00 N ATOM 517 CA ALA A 183 9.268 -1.177 -0.112 1.00 0.00 C ATOM 518 C ALA A 183 10.405 -1.917 0.572 1.00 0.00 C ATOM 519 O ALA A 183 11.369 -1.304 1.008 1.00 0.00 O ATOM 520 CB ALA A 183 8.146 -0.958 0.877 1.00 0.00 C ATOM 0 H ALA A 183 7.811 -2.219 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 183 9.643 -0.216 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 183 8.522 -0.404 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.347 -0.390 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 183 7.759 -1.922 1.208 1.00 0.00 H new ATOM 526 N GLU A 184 10.254 -3.234 0.678 1.00 0.00 N ATOM 527 CA GLU A 184 11.248 -4.123 1.267 1.00 0.00 C ATOM 528 C GLU A 184 12.591 -3.968 0.590 1.00 0.00 C ATOM 529 O GLU A 184 13.604 -3.773 1.242 1.00 0.00 O ATOM 530 CB GLU A 184 10.803 -5.590 1.127 1.00 0.00 C ATOM 531 CG GLU A 184 9.626 -6.009 1.997 1.00 0.00 C ATOM 532 CD GLU A 184 9.927 -5.897 3.461 1.00 0.00 C ATOM 533 OE1 GLU A 184 10.517 -6.826 4.029 1.00 0.00 O ATOM 534 OE2 GLU A 184 9.628 -4.864 4.070 1.00 0.00 O ATOM 0 H GLU A 184 9.420 -3.722 0.350 1.00 0.00 H new ATOM 0 HA GLU A 184 11.340 -3.854 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.544 -5.774 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 184 11.652 -6.232 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 184 8.762 -5.388 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.353 -7.038 1.763 1.00 0.00 H new