USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 170 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 Set 1.1: A 172 SER OG : rot 56:sc= 2.32 USER MOD Set 1.2: A 173 HIS : no HD1:sc= -0.0521 X(o=4.6,f=4.5) USER MOD Set 1.3: B 172 SER OG : rot -88:sc= 1.27 USER MOD Set 1.4: B 173 HIS : no HD1:sc= 1.1 K(o=4.6,f=-0.6) USER MOD Single : A 168 SER OG : rot 160:sc= 0.145 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 66.895 51.531 53.727 1.00 0.00 N ATOM 261 CA LEU A 166 67.153 50.281 52.974 1.00 0.00 C ATOM 262 C LEU A 166 65.982 49.722 52.125 1.00 0.00 C ATOM 263 O LEU A 166 66.214 49.441 50.950 1.00 0.00 O ATOM 264 CB LEU A 166 67.788 49.202 53.871 1.00 0.00 C ATOM 265 CG LEU A 166 69.265 49.469 54.143 1.00 0.00 C ATOM 266 CD1 LEU A 166 69.727 48.626 55.333 1.00 0.00 C ATOM 267 CD2 LEU A 166 70.109 49.094 52.923 1.00 0.00 C ATOM 0 HA LEU A 166 67.875 50.585 52.216 1.00 0.00 H new ATOM 0 HB2 LEU A 166 67.249 49.157 54.817 1.00 0.00 H new ATOM 0 HB3 LEU A 166 67.679 48.227 53.395 1.00 0.00 H new ATOM 0 HG LEU A 166 69.390 50.530 54.359 1.00 0.00 H new ATOM 0 HD11 LEU A 166 70.782 48.817 55.527 1.00 0.00 H new ATOM 0 HD12 LEU A 166 69.143 48.890 56.215 1.00 0.00 H new ATOM 0 HD13 LEU A 166 69.585 47.569 55.107 1.00 0.00 H new ATOM 0 HD21 LEU A 166 71.160 49.291 53.134 1.00 0.00 H new ATOM 0 HD22 LEU A 166 69.975 48.036 52.700 1.00 0.00 H new ATOM 0 HD23 LEU A 166 69.793 49.688 52.066 1.00 0.00 H new ATOM 273 N PRO A 167 64.736 49.604 52.639 1.00 0.00 N ATOM 274 CA PRO A 167 63.564 49.316 51.787 1.00 0.00 C ATOM 275 C PRO A 167 63.257 50.453 50.802 1.00 0.00 C ATOM 276 O PRO A 167 63.346 50.245 49.595 1.00 0.00 O ATOM 277 CB PRO A 167 62.402 49.066 52.756 1.00 0.00 C ATOM 278 CG PRO A 167 63.117 48.514 53.988 1.00 0.00 C ATOM 279 CD PRO A 167 64.368 49.371 54.051 1.00 0.00 C ATOM 0 HA PRO A 167 63.748 48.450 51.151 1.00 0.00 H new ATOM 0 HB2 PRO A 167 61.855 49.982 52.980 1.00 0.00 H new ATOM 0 HB3 PRO A 167 61.681 48.355 52.352 1.00 0.00 H new ATOM 0 HG2 PRO A 167 62.511 48.614 54.888 1.00 0.00 H new ATOM 0 HG3 PRO A 167 63.355 47.456 53.880 1.00 0.00 H new ATOM 0 HD2 PRO A 167 64.179 50.310 54.571 1.00 0.00 H new ATOM 0 HD3 PRO A 167 65.168 48.864 54.590 1.00 0.00 H new ATOM 285 N SER A 168 63.017 51.643 51.348 1.00 0.00 N ATOM 286 CA SER A 168 62.714 52.882 50.596 1.00 0.00 C ATOM 287 C SER A 168 63.594 53.128 49.357 1.00 0.00 C ATOM 288 O SER A 168 63.064 53.388 48.285 1.00 0.00 O ATOM 289 CB SER A 168 62.771 54.106 51.505 1.00 0.00 C ATOM 290 OG SER A 168 61.618 54.142 52.347 1.00 0.00 O ATOM 0 H SER A 168 63.026 51.788 52.358 1.00 0.00 H new ATOM 0 HA SER A 168 61.701 52.726 50.224 1.00 0.00 H new ATOM 0 HB2 SER A 168 63.675 54.076 52.113 1.00 0.00 H new ATOM 0 HB3 SER A 168 62.821 55.014 50.904 1.00 0.00 H new ATOM 0 HG SER A 168 61.797 54.715 53.122 1.00 0.00 H new ATOM 296 N LEU A 169 64.899 52.924 49.516 1.00 0.00 N ATOM 297 CA LEU A 169 65.942 52.967 48.475 1.00 0.00 C ATOM 298 C LEU A 169 65.517 52.220 47.185 1.00 0.00 C ATOM 299 O LEU A 169 65.022 52.839 46.244 1.00 0.00 O ATOM 300 CB LEU A 169 67.185 52.352 49.133 1.00 0.00 C ATOM 301 CG LEU A 169 68.504 52.505 48.371 1.00 0.00 C ATOM 302 CD1 LEU A 169 69.002 53.953 48.371 1.00 0.00 C ATOM 303 CD2 LEU A 169 69.544 51.602 49.032 1.00 0.00 C ATOM 0 H LEU A 169 65.290 52.709 50.433 1.00 0.00 H new ATOM 0 HA LEU A 169 66.134 53.985 48.137 1.00 0.00 H new ATOM 0 HB2 LEU A 169 67.306 52.800 50.119 1.00 0.00 H new ATOM 0 HB3 LEU A 169 67.000 51.289 49.286 1.00 0.00 H new ATOM 0 HG LEU A 169 68.343 52.220 47.331 1.00 0.00 H new ATOM 0 HD11 LEU A 169 69.940 54.015 47.819 1.00 0.00 H new ATOM 0 HD12 LEU A 169 68.259 54.593 47.896 1.00 0.00 H new ATOM 0 HD13 LEU A 169 69.162 54.283 49.398 1.00 0.00 H new ATOM 0 HD21 LEU A 169 70.494 51.695 48.505 1.00 0.00 H new ATOM 0 HD22 LEU A 169 69.676 51.900 50.072 1.00 0.00 H new ATOM 0 HD23 LEU A 169 69.206 50.567 48.991 1.00 0.00 H new ATOM 309 N LEU A 170 65.401 50.900 47.321 1.00 0.00 N ATOM 310 CA LEU A 170 65.048 50.001 46.217 1.00 0.00 C ATOM 311 C LEU A 170 63.579 50.126 45.772 1.00 0.00 C ATOM 312 O LEU A 170 63.299 50.066 44.570 1.00 0.00 O ATOM 313 CB LEU A 170 65.368 48.550 46.566 1.00 0.00 C ATOM 314 CG LEU A 170 66.874 48.281 46.594 1.00 0.00 C ATOM 315 CD1 LEU A 170 67.465 48.442 47.996 1.00 0.00 C ATOM 316 CD2 LEU A 170 67.142 46.891 46.035 1.00 0.00 C ATOM 0 H LEU A 170 65.550 50.418 48.207 1.00 0.00 H new ATOM 0 HA LEU A 170 65.662 50.314 45.373 1.00 0.00 H new ATOM 0 HB2 LEU A 170 64.939 48.309 47.539 1.00 0.00 H new ATOM 0 HB3 LEU A 170 64.896 47.890 45.838 1.00 0.00 H new ATOM 0 HG LEU A 170 67.370 49.024 45.970 1.00 0.00 H new ATOM 0 HD11 LEU A 170 68.536 48.241 47.965 1.00 0.00 H new ATOM 0 HD12 LEU A 170 67.297 49.460 48.347 1.00 0.00 H new ATOM 0 HD13 LEU A 170 66.984 47.740 48.677 1.00 0.00 H new ATOM 0 HD21 LEU A 170 68.214 46.692 46.052 1.00 0.00 H new ATOM 0 HD22 LEU A 170 66.626 46.148 46.643 1.00 0.00 H new ATOM 0 HD23 LEU A 170 66.779 46.835 45.009 1.00 0.00 H new ATOM 322 N LEU A 171 62.683 50.319 46.740 1.00 0.00 N ATOM 323 CA LEU A 171 61.269 50.677 46.496 1.00 0.00 C ATOM 324 C LEU A 171 61.151 51.855 45.508 1.00 0.00 C ATOM 325 O LEU A 171 60.710 51.657 44.380 1.00 0.00 O ATOM 326 CB LEU A 171 60.564 51.051 47.809 1.00 0.00 C ATOM 327 CG LEU A 171 60.033 49.840 48.580 1.00 0.00 C ATOM 328 CD1 LEU A 171 59.779 50.252 50.026 1.00 0.00 C ATOM 329 CD2 LEU A 171 58.705 49.361 47.978 1.00 0.00 C ATOM 0 H LEU A 171 62.913 50.232 47.730 1.00 0.00 H new ATOM 0 HA LEU A 171 60.787 49.801 46.062 1.00 0.00 H new ATOM 0 HB2 LEU A 171 61.260 51.599 48.443 1.00 0.00 H new ATOM 0 HB3 LEU A 171 59.735 51.724 47.589 1.00 0.00 H new ATOM 0 HG LEU A 171 60.767 49.037 48.524 1.00 0.00 H new ATOM 0 HD11 LEU A 171 59.400 49.397 50.587 1.00 0.00 H new ATOM 0 HD12 LEU A 171 60.711 50.596 50.475 1.00 0.00 H new ATOM 0 HD13 LEU A 171 59.045 51.057 50.051 1.00 0.00 H new ATOM 0 HD21 LEU A 171 58.341 48.499 48.538 1.00 0.00 H new ATOM 0 HD22 LEU A 171 57.971 50.165 48.031 1.00 0.00 H new ATOM 0 HD23 LEU A 171 58.859 49.078 46.937 1.00 0.00 H new ATOM 335 N SER A 172 61.785 52.968 45.872 1.00 0.00 N ATOM 336 CA SER A 172 61.867 54.200 45.066 1.00 0.00 C ATOM 337 C SER A 172 62.409 53.923 43.664 1.00 0.00 C ATOM 338 O SER A 172 61.626 53.894 42.722 1.00 0.00 O ATOM 339 CB SER A 172 62.748 55.240 45.764 1.00 0.00 C ATOM 340 OG SER A 172 62.859 56.436 44.986 1.00 0.00 O ATOM 0 H SER A 172 62.274 53.047 46.764 1.00 0.00 H new ATOM 0 HA SER A 172 60.854 54.591 44.967 1.00 0.00 H new ATOM 0 HB2 SER A 172 62.328 55.478 46.742 1.00 0.00 H new ATOM 0 HB3 SER A 172 63.740 54.822 45.936 1.00 0.00 H new ATOM 0 HG SER A 172 61.964 56.787 44.796 1.00 0.00 H new ATOM 346 N HIS A 173 63.627 53.373 43.632 1.00 0.00 N ATOM 347 CA HIS A 173 64.367 53.073 42.395 1.00 0.00 C ATOM 348 C HIS A 173 63.556 52.283 41.357 1.00 0.00 C ATOM 349 O HIS A 173 62.999 52.883 40.445 1.00 0.00 O ATOM 350 CB HIS A 173 65.693 52.392 42.751 1.00 0.00 C ATOM 351 CG HIS A 173 66.680 53.310 43.470 1.00 0.00 C ATOM 352 ND1 HIS A 173 67.539 52.944 44.412 1.00 0.00 N ATOM 353 CD2 HIS A 173 66.858 54.611 43.244 1.00 0.00 C ATOM 354 CE1 HIS A 173 68.233 54.012 44.781 1.00 0.00 C ATOM 355 NE2 HIS A 173 67.811 55.043 44.055 1.00 0.00 N ATOM 0 H HIS A 173 64.138 53.118 44.477 1.00 0.00 H new ATOM 0 HA HIS A 173 64.575 54.020 41.897 1.00 0.00 H new ATOM 0 HB2 HIS A 173 65.489 51.527 43.382 1.00 0.00 H new ATOM 0 HB3 HIS A 173 66.156 52.019 41.838 1.00 0.00 H new ATOM 0 HD2 HIS A 173 66.319 55.209 42.524 1.00 0.00 H new ATOM 0 HE1 HIS A 173 69.004 54.040 45.537 1.00 0.00 H new ATOM 0 HE2 HIS A 173 68.160 56.000 44.113 1.00 0.00 H new ATOM 360 N LEU A 174 63.265 51.021 41.687 1.00 0.00 N ATOM 361 CA LEU A 174 62.533 50.108 40.793 1.00 0.00 C ATOM 362 C LEU A 174 61.166 50.651 40.351 1.00 0.00 C ATOM 363 O LEU A 174 60.994 50.995 39.179 1.00 0.00 O ATOM 364 CB LEU A 174 62.427 48.700 41.405 1.00 0.00 C ATOM 365 CG LEU A 174 63.677 47.846 41.148 1.00 0.00 C ATOM 366 CD1 LEU A 174 64.916 48.301 41.934 1.00 0.00 C ATOM 367 CD2 LEU A 174 63.362 46.379 41.475 1.00 0.00 C ATOM 0 H LEU A 174 63.528 50.601 42.578 1.00 0.00 H new ATOM 0 HA LEU A 174 63.122 50.033 39.879 1.00 0.00 H new ATOM 0 HB2 LEU A 174 62.266 48.787 42.480 1.00 0.00 H new ATOM 0 HB3 LEU A 174 61.555 48.193 40.992 1.00 0.00 H new ATOM 0 HG LEU A 174 63.928 47.968 40.094 1.00 0.00 H new ATOM 0 HD11 LEU A 174 65.756 47.648 41.698 1.00 0.00 H new ATOM 0 HD12 LEU A 174 65.165 49.326 41.660 1.00 0.00 H new ATOM 0 HD13 LEU A 174 64.707 48.252 43.003 1.00 0.00 H new ATOM 0 HD21 LEU A 174 64.246 45.768 41.294 1.00 0.00 H new ATOM 0 HD22 LEU A 174 63.070 46.294 42.522 1.00 0.00 H new ATOM 0 HD23 LEU A 174 62.546 46.032 40.841 1.00 0.00 H new ATOM 373 N LEU A 175 60.338 50.995 41.333 1.00 0.00 N ATOM 374 CA LEU A 175 58.979 51.538 41.082 1.00 0.00 C ATOM 375 C LEU A 175 58.940 52.820 40.238 1.00 0.00 C ATOM 376 O LEU A 175 58.226 52.891 39.239 1.00 0.00 O ATOM 377 CB LEU A 175 58.244 51.733 42.417 1.00 0.00 C ATOM 378 CG LEU A 175 57.733 50.399 42.958 1.00 0.00 C ATOM 379 CD1 LEU A 175 57.555 50.480 44.468 1.00 0.00 C ATOM 380 CD2 LEU A 175 56.396 50.024 42.313 1.00 0.00 C ATOM 0 H LEU A 175 60.574 50.912 42.322 1.00 0.00 H new ATOM 0 HA LEU A 175 58.466 50.794 40.473 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.916 52.191 43.143 1.00 0.00 H new ATOM 0 HB3 LEU A 175 57.408 52.419 42.280 1.00 0.00 H new ATOM 0 HG LEU A 175 58.470 49.633 42.715 1.00 0.00 H new ATOM 0 HD11 LEU A 175 57.190 49.524 44.843 1.00 0.00 H new ATOM 0 HD12 LEU A 175 58.512 50.712 44.935 1.00 0.00 H new ATOM 0 HD13 LEU A 175 56.835 51.262 44.708 1.00 0.00 H new ATOM 0 HD21 LEU A 175 56.053 49.070 42.715 1.00 0.00 H new ATOM 0 HD22 LEU A 175 55.658 50.796 42.531 1.00 0.00 H new ATOM 0 HD23 LEU A 175 56.524 49.938 41.234 1.00 0.00 H new ATOM 386 N ALA A 176 59.784 53.797 40.599 1.00 0.00 N ATOM 387 CA ALA A 176 59.863 55.087 39.903 1.00 0.00 C ATOM 388 C ALA A 176 60.399 54.974 38.458 1.00 0.00 C ATOM 389 O ALA A 176 59.853 55.609 37.564 1.00 0.00 O ATOM 390 CB ALA A 176 60.687 56.083 40.710 1.00 0.00 C ATOM 0 H ALA A 176 60.431 53.714 41.383 1.00 0.00 H new ATOM 0 HA ALA A 176 58.840 55.453 39.819 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.734 57.033 40.177 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.222 56.236 41.684 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.696 55.694 40.847 1.00 0.00 H new ATOM 396 N ILE A 177 61.397 54.109 38.238 1.00 0.00 N ATOM 397 CA ILE A 177 61.867 53.752 36.886 1.00 0.00 C ATOM 398 C ILE A 177 60.703 53.219 36.028 1.00 0.00 C ATOM 399 O ILE A 177 60.469 53.735 34.937 1.00 0.00 O ATOM 400 CB ILE A 177 63.083 52.798 36.956 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.268 53.531 37.595 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.509 52.276 35.570 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.338 52.623 38.199 1.00 0.00 C ATOM 0 H ILE A 177 61.903 53.636 38.987 1.00 0.00 H new ATOM 0 HA ILE A 177 62.226 54.649 36.382 1.00 0.00 H new ATOM 0 HB ILE A 177 62.783 51.939 37.556 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.734 54.164 36.840 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.890 54.191 38.376 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.366 51.612 35.679 1.00 0.00 H new ATOM 0 HG22 ILE A 177 62.682 51.730 35.117 1.00 0.00 H new ATOM 0 HG23 ILE A 177 63.781 53.117 34.932 1.00 0.00 H new ATOM 0 HD11 ILE A 177 66.134 53.233 38.626 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.894 52.007 38.981 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.751 51.980 37.422 1.00 0.00 H new ATOM 407 N GLY A 178 59.892 52.332 36.612 1.00 0.00 N ATOM 408 CA GLY A 178 58.640 51.814 36.000 1.00 0.00 C ATOM 409 C GLY A 178 57.669 52.932 35.587 1.00 0.00 C ATOM 410 O GLY A 178 57.227 52.987 34.429 1.00 0.00 O ATOM 0 H GLY A 178 60.079 51.941 37.535 1.00 0.00 H new ATOM 0 HA2 GLY A 178 58.890 51.215 35.124 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.143 51.151 36.708 1.00 0.00 H new ATOM 414 N LEU A 179 57.353 53.812 36.536 1.00 0.00 N ATOM 415 CA LEU A 179 56.524 55.018 36.293 1.00 0.00 C ATOM 416 C LEU A 179 57.058 55.869 35.128 1.00 0.00 C ATOM 417 O LEU A 179 56.324 56.204 34.196 1.00 0.00 O ATOM 418 CB LEU A 179 56.439 55.840 37.584 1.00 0.00 C ATOM 419 CG LEU A 179 55.337 56.894 37.547 1.00 0.00 C ATOM 420 CD1 LEU A 179 53.947 56.257 37.617 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.514 57.887 38.693 1.00 0.00 C ATOM 0 H LEU A 179 57.661 53.719 37.504 1.00 0.00 H new ATOM 0 HA LEU A 179 55.525 54.693 36.001 1.00 0.00 H new ATOM 0 HB2 LEU A 179 56.264 55.169 38.425 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.397 56.329 37.760 1.00 0.00 H new ATOM 0 HG LEU A 179 55.418 57.423 36.597 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.187 57.038 37.588 1.00 0.00 H new ATOM 0 HD12 LEU A 179 53.811 55.587 36.768 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.852 55.692 38.544 1.00 0.00 H new ATOM 0 HD21 LEU A 179 54.720 58.633 38.654 1.00 0.00 H new ATOM 0 HD22 LEU A 179 55.467 57.357 39.644 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.481 58.381 38.600 1.00 0.00 H new ATOM 427 N GLY A 180 58.373 56.105 35.161 1.00 0.00 N ATOM 428 CA GLY A 180 59.126 56.773 34.082 1.00 0.00 C ATOM 429 C GLY A 180 58.926 56.107 32.715 1.00 0.00 C ATOM 430 O GLY A 180 58.554 56.770 31.749 1.00 0.00 O ATOM 0 H GLY A 180 58.959 55.834 35.950 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.816 57.816 34.021 1.00 0.00 H new ATOM 0 HA3 GLY A 180 60.187 56.770 34.330 1.00 0.00 H new ATOM 434 N ILE A 181 59.137 54.789 32.676 1.00 0.00 N ATOM 435 CA ILE A 181 58.912 53.945 31.478 1.00 0.00 C ATOM 436 C ILE A 181 57.543 54.187 30.816 1.00 0.00 C ATOM 437 O ILE A 181 57.512 54.492 29.621 1.00 0.00 O ATOM 438 CB ILE A 181 59.255 52.477 31.797 1.00 0.00 C ATOM 439 CG1 ILE A 181 60.785 52.372 31.905 1.00 0.00 C ATOM 440 CG2 ILE A 181 58.719 51.463 30.774 1.00 0.00 C ATOM 441 CD1 ILE A 181 61.280 51.202 32.771 1.00 0.00 C ATOM 0 H ILE A 181 59.474 54.262 33.482 1.00 0.00 H new ATOM 0 HA ILE A 181 59.603 54.249 30.692 1.00 0.00 H new ATOM 0 HB ILE A 181 58.761 52.215 32.733 1.00 0.00 H new ATOM 0 HG12 ILE A 181 61.202 52.269 30.903 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.173 53.303 32.317 1.00 0.00 H new ATOM 0 HG21 ILE A 181 59.006 50.456 31.076 1.00 0.00 H new ATOM 0 HG22 ILE A 181 57.632 51.532 30.728 1.00 0.00 H new ATOM 0 HG23 ILE A 181 59.138 51.681 29.792 1.00 0.00 H new ATOM 0 HD11 ILE A 181 62.370 51.202 32.793 1.00 0.00 H new ATOM 0 HD12 ILE A 181 60.896 51.312 33.785 1.00 0.00 H new ATOM 0 HD13 ILE A 181 60.925 50.262 32.349 1.00 0.00 H new ATOM 445 N TYR A 182 56.475 54.242 31.625 1.00 0.00 N ATOM 446 CA TYR A 182 55.127 54.609 31.143 1.00 0.00 C ATOM 447 C TYR A 182 55.121 55.955 30.389 1.00 0.00 C ATOM 448 O TYR A 182 54.875 55.962 29.180 1.00 0.00 O ATOM 449 CB TYR A 182 54.078 54.620 32.284 1.00 0.00 C ATOM 450 CG TYR A 182 52.710 55.213 31.911 1.00 0.00 C ATOM 451 CD1 TYR A 182 52.009 54.803 30.739 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.218 56.293 32.686 1.00 0.00 C ATOM 453 CE1 TYR A 182 50.854 55.471 30.346 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.069 56.963 32.282 1.00 0.00 C ATOM 455 CZ TYR A 182 50.370 56.556 31.119 1.00 0.00 C ATOM 456 OH TYR A 182 49.291 57.257 30.724 1.00 0.00 O ATOM 0 H TYR A 182 56.515 54.036 32.623 1.00 0.00 H new ATOM 0 HA TYR A 182 54.842 53.830 30.436 1.00 0.00 H new ATOM 0 HB2 TYR A 182 53.930 53.597 32.630 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.484 55.185 33.123 1.00 0.00 H new ATOM 0 HD1 TYR A 182 52.376 53.972 30.155 1.00 0.00 H new ATOM 0 HD2 TYR A 182 52.733 56.594 33.586 1.00 0.00 H new ATOM 0 HE1 TYR A 182 50.328 55.164 29.454 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.706 57.801 32.859 1.00 0.00 H new ATOM 0 HH TYR A 182 49.103 57.963 31.377 1.00 0.00 H new ATOM 461 N ILE A 183 55.597 57.007 31.057 1.00 0.00 N ATOM 462 CA ILE A 183 55.706 58.384 30.508 1.00 0.00 C ATOM 463 C ILE A 183 56.422 58.361 29.141 1.00 0.00 C ATOM 464 O ILE A 183 55.833 58.753 28.132 1.00 0.00 O ATOM 465 CB ILE A 183 56.425 59.301 31.510 1.00 0.00 C ATOM 466 CG1 ILE A 183 55.773 59.260 32.897 1.00 0.00 C ATOM 467 CG2 ILE A 183 56.463 60.752 31.002 1.00 0.00 C ATOM 468 CD1 ILE A 183 56.725 59.682 34.032 1.00 0.00 C ATOM 0 H ILE A 183 55.929 56.937 32.019 1.00 0.00 H new ATOM 0 HA ILE A 183 54.705 58.786 30.350 1.00 0.00 H new ATOM 0 HB ILE A 183 57.444 58.925 31.601 1.00 0.00 H new ATOM 0 HG12 ILE A 183 54.902 59.915 32.901 1.00 0.00 H new ATOM 0 HG13 ILE A 183 55.413 58.250 33.091 1.00 0.00 H new ATOM 0 HG21 ILE A 183 56.977 61.379 31.730 1.00 0.00 H new ATOM 0 HG22 ILE A 183 56.994 60.791 30.051 1.00 0.00 H new ATOM 0 HG23 ILE A 183 55.445 61.116 30.864 1.00 0.00 H new ATOM 0 HD11 ILE A 183 56.200 59.630 34.986 1.00 0.00 H new ATOM 0 HD12 ILE A 183 57.584 59.012 34.054 1.00 0.00 H new ATOM 0 HD13 ILE A 183 57.066 60.703 33.860 1.00 0.00 H new ATOM 472 N GLY A 184 57.607 57.748 29.125 1.00 0.00 N ATOM 473 CA GLY A 184 58.475 57.616 27.928 1.00 0.00 C ATOM 474 C GLY A 184 57.740 56.969 26.744 1.00 0.00 C ATOM 475 O GLY A 184 57.477 57.616 25.732 1.00 0.00 O ATOM 0 H GLY A 184 58.009 57.316 29.957 1.00 0.00 H new ATOM 0 HA2 GLY A 184 58.837 58.601 27.634 1.00 0.00 H new ATOM 0 HA3 GLY A 184 59.350 57.017 28.181 1.00 0.00 H new ATOM 479 N ARG A 185 57.283 55.744 26.994 1.00 0.00 N ATOM 480 CA ARG A 185 56.455 54.936 26.082 1.00 0.00 C ATOM 481 C ARG A 185 55.254 55.717 25.522 1.00 0.00 C ATOM 482 O ARG A 185 55.086 55.840 24.304 1.00 0.00 O ATOM 483 CB ARG A 185 56.011 53.710 26.875 1.00 0.00 C ATOM 484 CG ARG A 185 55.135 52.737 26.090 1.00 0.00 C ATOM 485 CD ARG A 185 54.614 51.682 27.054 1.00 0.00 C ATOM 486 NE ARG A 185 53.802 50.709 26.312 1.00 0.00 N ATOM 487 CZ ARG A 185 53.598 49.434 26.672 1.00 0.00 C ATOM 488 NH1 ARG A 185 54.029 48.986 27.856 1.00 0.00 N ATOM 489 NH2 ARG A 185 52.852 48.639 25.913 1.00 0.00 N ATOM 0 H ARG A 185 57.484 55.262 27.870 1.00 0.00 H new ATOM 0 HA ARG A 185 57.033 54.649 25.204 1.00 0.00 H new ATOM 0 HB2 ARG A 185 56.896 53.180 27.228 1.00 0.00 H new ATOM 0 HB3 ARG A 185 55.464 54.041 27.758 1.00 0.00 H new ATOM 0 HG2 ARG A 185 54.305 53.266 25.621 1.00 0.00 H new ATOM 0 HG3 ARG A 185 55.709 52.270 25.289 1.00 0.00 H new ATOM 0 HD2 ARG A 185 55.446 51.179 27.546 1.00 0.00 H new ATOM 0 HD3 ARG A 185 54.017 52.150 27.837 1.00 0.00 H new ATOM 0 HE ARG A 185 53.357 51.030 25.452 1.00 0.00 H new ATOM 0 HH11 ARG A 185 54.517 49.616 28.493 1.00 0.00 H new ATOM 0 HH12 ARG A 185 53.870 48.014 28.122 1.00 0.00 H new ATOM 0 HH21 ARG A 185 52.434 48.999 25.055 1.00 0.00 H new ATOM 0 HH22 ARG A 185 52.698 47.669 26.188 1.00 0.00 H new ATOM 802 N PHE B 165 64.857 62.492 54.741 1.00 0.00 N ATOM 803 CA PHE B 165 64.373 61.204 54.206 1.00 0.00 C ATOM 804 C PHE B 165 63.414 61.395 53.019 1.00 0.00 C ATOM 805 O PHE B 165 63.749 61.022 51.898 1.00 0.00 O ATOM 806 CB PHE B 165 63.674 60.450 55.346 1.00 0.00 C ATOM 807 CG PHE B 165 63.489 58.945 55.107 1.00 0.00 C ATOM 808 CD1 PHE B 165 62.659 58.432 54.088 1.00 0.00 C ATOM 809 CD2 PHE B 165 64.149 58.071 56.007 1.00 0.00 C ATOM 810 CE1 PHE B 165 62.495 57.047 53.955 1.00 0.00 C ATOM 811 CE2 PHE B 165 63.976 56.681 55.877 1.00 0.00 C ATOM 812 CZ PHE B 165 63.150 56.181 54.853 1.00 0.00 C ATOM 0 HA PHE B 165 65.222 60.633 53.830 1.00 0.00 H new ATOM 0 HB2 PHE B 165 64.249 60.590 56.261 1.00 0.00 H new ATOM 0 HB3 PHE B 165 62.695 60.900 55.513 1.00 0.00 H new ATOM 0 HD1 PHE B 165 62.152 59.105 53.413 1.00 0.00 H new ATOM 0 HD2 PHE B 165 64.780 58.470 56.787 1.00 0.00 H new ATOM 0 HE1 PHE B 165 61.871 56.646 53.170 1.00 0.00 H new ATOM 0 HE2 PHE B 165 64.472 56.004 56.557 1.00 0.00 H new ATOM 0 HZ PHE B 165 63.016 55.114 54.754 1.00 0.00 H new ATOM 818 N LEU B 166 62.280 62.044 53.270 1.00 0.00 N ATOM 819 CA LEU B 166 61.261 62.292 52.234 1.00 0.00 C ATOM 820 C LEU B 166 61.735 63.216 51.077 1.00 0.00 C ATOM 821 O LEU B 166 61.461 62.864 49.928 1.00 0.00 O ATOM 822 CB LEU B 166 59.913 62.679 52.834 1.00 0.00 C ATOM 823 CG LEU B 166 59.254 61.480 53.527 1.00 0.00 C ATOM 824 CD1 LEU B 166 59.519 61.482 55.039 1.00 0.00 C ATOM 825 CD2 LEU B 166 57.760 61.434 53.228 1.00 0.00 C ATOM 0 H LEU B 166 62.035 62.414 54.189 1.00 0.00 H new ATOM 0 HA LEU B 166 61.103 61.334 51.738 1.00 0.00 H new ATOM 0 HB2 LEU B 166 60.049 63.488 53.551 1.00 0.00 H new ATOM 0 HB3 LEU B 166 59.257 63.056 52.050 1.00 0.00 H new ATOM 0 HG LEU B 166 59.708 60.575 53.122 1.00 0.00 H new ATOM 0 HD11 LEU B 166 59.036 60.617 55.494 1.00 0.00 H new ATOM 0 HD12 LEU B 166 60.593 61.435 55.220 1.00 0.00 H new ATOM 0 HD13 LEU B 166 59.117 62.395 55.478 1.00 0.00 H new ATOM 0 HD21 LEU B 166 57.315 60.575 53.730 1.00 0.00 H new ATOM 0 HD22 LEU B 166 57.289 62.349 53.587 1.00 0.00 H new ATOM 0 HD23 LEU B 166 57.607 61.345 52.153 1.00 0.00 H new ATOM 831 N PRO B 167 62.474 64.311 51.343 1.00 0.00 N ATOM 832 CA PRO B 167 63.221 65.055 50.294 1.00 0.00 C ATOM 833 C PRO B 167 64.128 64.177 49.421 1.00 0.00 C ATOM 834 O PRO B 167 63.975 64.178 48.199 1.00 0.00 O ATOM 835 CB PRO B 167 64.014 66.098 51.081 1.00 0.00 C ATOM 836 CG PRO B 167 63.028 66.479 52.174 1.00 0.00 C ATOM 837 CD PRO B 167 62.408 65.141 52.565 1.00 0.00 C ATOM 0 HA PRO B 167 62.540 65.492 49.564 1.00 0.00 H new ATOM 0 HB2 PRO B 167 64.938 65.687 51.489 1.00 0.00 H new ATOM 0 HB3 PRO B 167 64.290 66.953 50.464 1.00 0.00 H new ATOM 0 HG2 PRO B 167 63.527 66.954 53.019 1.00 0.00 H new ATOM 0 HG3 PRO B 167 62.277 67.181 51.812 1.00 0.00 H new ATOM 0 HD2 PRO B 167 62.956 64.678 53.386 1.00 0.00 H new ATOM 0 HD3 PRO B 167 61.379 65.267 52.900 1.00 0.00 H new ATOM 843 N SER B 168 64.993 63.389 50.054 1.00 0.00 N ATOM 844 CA SER B 168 65.878 62.413 49.378 1.00 0.00 C ATOM 845 C SER B 168 65.116 61.350 48.581 1.00 0.00 C ATOM 846 O SER B 168 65.522 60.988 47.477 1.00 0.00 O ATOM 847 CB SER B 168 66.825 61.733 50.376 1.00 0.00 C ATOM 848 OG SER B 168 67.904 62.609 50.720 1.00 0.00 O ATOM 0 H SER B 168 65.109 63.402 51.067 1.00 0.00 H new ATOM 0 HA SER B 168 66.460 62.995 48.664 1.00 0.00 H new ATOM 0 HB2 SER B 168 66.276 61.453 51.275 1.00 0.00 H new ATOM 0 HB3 SER B 168 67.219 60.813 49.944 1.00 0.00 H new ATOM 0 HG SER B 168 68.498 62.161 51.358 1.00 0.00 H new ATOM 854 N LEU B 169 64.018 60.869 49.147 1.00 0.00 N ATOM 855 CA LEU B 169 63.083 59.942 48.464 1.00 0.00 C ATOM 856 C LEU B 169 62.441 60.571 47.215 1.00 0.00 C ATOM 857 O LEU B 169 62.526 59.987 46.144 1.00 0.00 O ATOM 858 CB LEU B 169 62.063 59.457 49.486 1.00 0.00 C ATOM 859 CG LEU B 169 61.486 58.070 49.181 1.00 0.00 C ATOM 860 CD1 LEU B 169 62.572 56.999 49.078 1.00 0.00 C ATOM 861 CD2 LEU B 169 60.526 57.690 50.297 1.00 0.00 C ATOM 0 H LEU B 169 63.736 61.103 50.099 1.00 0.00 H new ATOM 0 HA LEU B 169 63.632 59.082 48.080 1.00 0.00 H new ATOM 0 HB2 LEU B 169 62.532 59.436 50.470 1.00 0.00 H new ATOM 0 HB3 LEU B 169 61.245 60.176 49.538 1.00 0.00 H new ATOM 0 HG LEU B 169 60.979 58.121 48.217 1.00 0.00 H new ATOM 0 HD11 LEU B 169 62.113 56.035 48.861 1.00 0.00 H new ATOM 0 HD12 LEU B 169 63.265 57.259 48.278 1.00 0.00 H new ATOM 0 HD13 LEU B 169 63.114 56.938 50.022 1.00 0.00 H new ATOM 0 HD21 LEU B 169 60.106 56.705 50.096 1.00 0.00 H new ATOM 0 HD22 LEU B 169 61.061 57.669 51.246 1.00 0.00 H new ATOM 0 HD23 LEU B 169 59.721 58.423 50.350 1.00 0.00 H new ATOM 867 N LEU B 170 61.988 61.823 47.340 1.00 0.00 N ATOM 868 CA LEU B 170 61.509 62.644 46.202 1.00 0.00 C ATOM 869 C LEU B 170 62.587 62.819 45.122 1.00 0.00 C ATOM 870 O LEU B 170 62.375 62.455 43.966 1.00 0.00 O ATOM 871 CB LEU B 170 61.003 63.986 46.754 1.00 0.00 C ATOM 872 CG LEU B 170 60.380 64.920 45.711 1.00 0.00 C ATOM 873 CD1 LEU B 170 59.186 64.303 44.982 1.00 0.00 C ATOM 874 CD2 LEU B 170 59.926 66.190 46.439 1.00 0.00 C ATOM 0 H LEU B 170 61.940 62.307 48.237 1.00 0.00 H new ATOM 0 HA LEU B 170 60.687 62.132 45.702 1.00 0.00 H new ATOM 0 HB2 LEU B 170 60.264 63.787 47.530 1.00 0.00 H new ATOM 0 HB3 LEU B 170 61.835 64.503 47.232 1.00 0.00 H new ATOM 0 HG LEU B 170 61.132 65.127 44.950 1.00 0.00 H new ATOM 0 HD11 LEU B 170 58.793 65.017 44.258 1.00 0.00 H new ATOM 0 HD12 LEU B 170 59.504 63.399 44.463 1.00 0.00 H new ATOM 0 HD13 LEU B 170 58.409 64.053 45.704 1.00 0.00 H new ATOM 0 HD21 LEU B 170 59.477 66.879 45.723 1.00 0.00 H new ATOM 0 HD22 LEU B 170 59.192 65.930 47.202 1.00 0.00 H new ATOM 0 HD23 LEU B 170 60.786 66.666 46.910 1.00 0.00 H new ATOM 880 N LEU B 171 63.783 63.248 45.540 1.00 0.00 N ATOM 881 CA LEU B 171 65.008 63.331 44.710 1.00 0.00 C ATOM 882 C LEU B 171 65.268 62.017 43.935 1.00 0.00 C ATOM 883 O LEU B 171 65.313 62.014 42.700 1.00 0.00 O ATOM 884 CB LEU B 171 66.145 63.693 45.673 1.00 0.00 C ATOM 885 CG LEU B 171 67.556 63.667 45.081 1.00 0.00 C ATOM 886 CD1 LEU B 171 67.815 64.856 44.141 1.00 0.00 C ATOM 887 CD2 LEU B 171 68.568 63.641 46.226 1.00 0.00 C ATOM 0 H LEU B 171 63.939 63.560 46.499 1.00 0.00 H new ATOM 0 HA LEU B 171 64.914 64.088 43.932 1.00 0.00 H new ATOM 0 HB2 LEU B 171 65.956 64.691 46.069 1.00 0.00 H new ATOM 0 HB3 LEU B 171 66.113 63.004 46.517 1.00 0.00 H new ATOM 0 HG LEU B 171 67.662 62.769 44.472 1.00 0.00 H new ATOM 0 HD11 LEU B 171 68.829 64.793 43.746 1.00 0.00 H new ATOM 0 HD12 LEU B 171 67.102 64.830 43.317 1.00 0.00 H new ATOM 0 HD13 LEU B 171 67.697 65.789 44.693 1.00 0.00 H new ATOM 0 HD21 LEU B 171 69.579 63.622 45.818 1.00 0.00 H new ATOM 0 HD22 LEU B 171 68.442 64.531 46.843 1.00 0.00 H new ATOM 0 HD23 LEU B 171 68.406 62.751 46.835 1.00 0.00 H new ATOM 893 N SER B 172 65.299 60.911 44.680 1.00 0.00 N ATOM 894 CA SER B 172 65.441 59.534 44.149 1.00 0.00 C ATOM 895 C SER B 172 64.375 59.206 43.099 1.00 0.00 C ATOM 896 O SER B 172 64.706 59.056 41.927 1.00 0.00 O ATOM 897 CB SER B 172 65.409 58.531 45.309 1.00 0.00 C ATOM 898 OG SER B 172 65.435 57.179 44.822 1.00 0.00 O ATOM 0 H SER B 172 65.225 60.938 45.697 1.00 0.00 H new ATOM 0 HA SER B 172 66.403 59.462 43.641 1.00 0.00 H new ATOM 0 HB2 SER B 172 66.262 58.701 45.965 1.00 0.00 H new ATOM 0 HB3 SER B 172 64.511 58.689 45.906 1.00 0.00 H new ATOM 0 HG SER B 172 64.520 56.877 44.645 1.00 0.00 H new ATOM 904 N HIS B 173 63.106 59.337 43.513 1.00 0.00 N ATOM 905 CA HIS B 173 61.925 59.170 42.644 1.00 0.00 C ATOM 906 C HIS B 173 62.040 59.924 41.317 1.00 0.00 C ATOM 907 O HIS B 173 62.071 59.280 40.275 1.00 0.00 O ATOM 908 CB HIS B 173 60.654 59.607 43.373 1.00 0.00 C ATOM 909 CG HIS B 173 60.027 58.464 44.171 1.00 0.00 C ATOM 910 ND1 HIS B 173 60.517 57.889 45.268 1.00 0.00 N ATOM 911 CD2 HIS B 173 58.789 58.005 43.995 1.00 0.00 C ATOM 912 CE1 HIS B 173 59.564 57.114 45.777 1.00 0.00 C ATOM 913 NE2 HIS B 173 58.500 57.177 44.981 1.00 0.00 N ATOM 0 H HIS B 173 62.864 59.566 44.477 1.00 0.00 H new ATOM 0 HA HIS B 173 61.872 58.107 42.407 1.00 0.00 H new ATOM 0 HB2 HIS B 173 60.888 60.432 44.045 1.00 0.00 H new ATOM 0 HB3 HIS B 173 59.931 59.981 42.648 1.00 0.00 H new ATOM 0 HD2 HIS B 173 58.131 58.267 43.180 1.00 0.00 H new ATOM 0 HE1 HIS B 173 59.641 56.532 46.683 1.00 0.00 H new ATOM 0 HE2 HIS B 173 57.621 56.676 45.109 1.00 0.00 H new ATOM 918 N LEU B 174 62.344 61.225 41.389 1.00 0.00 N ATOM 919 CA LEU B 174 62.494 62.106 40.217 1.00 0.00 C ATOM 920 C LEU B 174 63.567 61.644 39.221 1.00 0.00 C ATOM 921 O LEU B 174 63.291 61.497 38.037 1.00 0.00 O ATOM 922 CB LEU B 174 62.777 63.540 40.665 1.00 0.00 C ATOM 923 CG LEU B 174 61.561 64.176 41.341 1.00 0.00 C ATOM 924 CD1 LEU B 174 62.017 65.450 42.046 1.00 0.00 C ATOM 925 CD2 LEU B 174 60.451 64.508 40.336 1.00 0.00 C ATOM 0 H LEU B 174 62.496 61.706 42.275 1.00 0.00 H new ATOM 0 HA LEU B 174 61.545 62.058 39.684 1.00 0.00 H new ATOM 0 HB2 LEU B 174 63.620 63.545 41.355 1.00 0.00 H new ATOM 0 HB3 LEU B 174 63.068 64.139 39.802 1.00 0.00 H new ATOM 0 HG LEU B 174 61.146 63.463 42.053 1.00 0.00 H new ATOM 0 HD11 LEU B 174 61.164 65.920 42.535 1.00 0.00 H new ATOM 0 HD12 LEU B 174 62.772 65.203 42.792 1.00 0.00 H new ATOM 0 HD13 LEU B 174 62.441 66.139 41.315 1.00 0.00 H new ATOM 0 HD21 LEU B 174 59.608 64.958 40.860 1.00 0.00 H new ATOM 0 HD22 LEU B 174 60.831 65.209 39.592 1.00 0.00 H new ATOM 0 HD23 LEU B 174 60.124 63.594 39.840 1.00 0.00 H new ATOM 931 N LEU B 175 64.763 61.358 39.725 1.00 0.00 N ATOM 932 CA LEU B 175 65.893 60.895 38.890 1.00 0.00 C ATOM 933 C LEU B 175 65.726 59.453 38.360 1.00 0.00 C ATOM 934 O LEU B 175 66.093 59.165 37.217 1.00 0.00 O ATOM 935 CB LEU B 175 67.211 61.103 39.637 1.00 0.00 C ATOM 936 CG LEU B 175 67.522 62.607 39.693 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.563 62.892 40.773 1.00 0.00 C ATOM 938 CD2 LEU B 175 68.041 63.109 38.337 1.00 0.00 C ATOM 0 H LEU B 175 64.987 61.436 40.717 1.00 0.00 H new ATOM 0 HA LEU B 175 65.906 61.509 37.990 1.00 0.00 H new ATOM 0 HB2 LEU B 175 67.141 60.695 40.645 1.00 0.00 H new ATOM 0 HB3 LEU B 175 68.018 60.570 39.133 1.00 0.00 H new ATOM 0 HG LEU B 175 66.598 63.133 39.932 1.00 0.00 H new ATOM 0 HD11 LEU B 175 68.774 63.961 40.802 1.00 0.00 H new ATOM 0 HD12 LEU B 175 68.179 62.572 41.742 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.480 62.347 40.548 1.00 0.00 H new ATOM 0 HD21 LEU B 175 68.254 64.176 38.401 1.00 0.00 H new ATOM 0 HD22 LEU B 175 68.953 62.572 38.075 1.00 0.00 H new ATOM 0 HD23 LEU B 175 67.285 62.936 37.571 1.00 0.00 H new ATOM 944 N ALA B 176 65.062 58.606 39.152 1.00 0.00 N ATOM 945 CA ALA B 176 64.621 57.261 38.724 1.00 0.00 C ATOM 946 C ALA B 176 63.539 57.340 37.627 1.00 0.00 C ATOM 947 O ALA B 176 63.691 56.730 36.575 1.00 0.00 O ATOM 948 CB ALA B 176 64.143 56.481 39.952 1.00 0.00 C ATOM 0 H ALA B 176 64.810 58.829 40.115 1.00 0.00 H new ATOM 0 HA ALA B 176 65.462 56.730 38.277 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.815 55.487 39.647 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.961 56.390 40.666 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.312 57.010 40.418 1.00 0.00 H new ATOM 954 N ILE B 177 62.526 58.182 37.836 1.00 0.00 N ATOM 955 CA ILE B 177 61.535 58.593 36.817 1.00 0.00 C ATOM 956 C ILE B 177 62.242 59.067 35.522 1.00 0.00 C ATOM 957 O ILE B 177 61.982 58.517 34.457 1.00 0.00 O ATOM 958 CB ILE B 177 60.550 59.626 37.427 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.508 58.888 38.281 1.00 0.00 C ATOM 960 CG2 ILE B 177 59.873 60.570 36.412 1.00 0.00 C ATOM 961 CD1 ILE B 177 58.798 59.764 39.312 1.00 0.00 C ATOM 0 H ILE B 177 62.360 58.615 38.744 1.00 0.00 H new ATOM 0 HA ILE B 177 60.930 57.739 36.514 1.00 0.00 H new ATOM 0 HB ILE B 177 61.152 60.292 38.045 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.761 58.448 37.620 1.00 0.00 H new ATOM 0 HG13 ILE B 177 59.999 58.064 38.799 1.00 0.00 H new ATOM 0 HG21 ILE B 177 59.205 61.252 36.939 1.00 0.00 H new ATOM 0 HG22 ILE B 177 60.635 61.144 35.884 1.00 0.00 H new ATOM 0 HG23 ILE B 177 59.300 59.982 35.695 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.081 59.161 39.869 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.532 60.183 40.000 1.00 0.00 H new ATOM 0 HD13 ILE B 177 58.274 60.573 38.803 1.00 0.00 H new ATOM 965 N GLY B 178 63.167 60.022 35.674 1.00 0.00 N ATOM 966 CA GLY B 178 64.028 60.540 34.583 1.00 0.00 C ATOM 967 C GLY B 178 64.646 59.432 33.720 1.00 0.00 C ATOM 968 O GLY B 178 64.342 59.314 32.531 1.00 0.00 O ATOM 0 H GLY B 178 63.348 60.470 36.572 1.00 0.00 H new ATOM 0 HA2 GLY B 178 63.439 61.200 33.947 1.00 0.00 H new ATOM 0 HA3 GLY B 178 64.827 61.143 35.015 1.00 0.00 H new ATOM 972 N LEU B 179 65.422 58.587 34.386 1.00 0.00 N ATOM 973 CA LEU B 179 66.021 57.367 33.810 1.00 0.00 C ATOM 974 C LEU B 179 64.980 56.489 33.097 1.00 0.00 C ATOM 975 O LEU B 179 65.180 56.065 31.953 1.00 0.00 O ATOM 976 CB LEU B 179 66.704 56.586 34.952 1.00 0.00 C ATOM 977 CG LEU B 179 67.516 55.390 34.447 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.862 55.815 33.867 1.00 0.00 C ATOM 979 CD2 LEU B 179 67.692 54.373 35.574 1.00 0.00 C ATOM 0 H LEU B 179 65.665 58.725 35.367 1.00 0.00 H new ATOM 0 HA LEU B 179 66.750 57.653 33.051 1.00 0.00 H new ATOM 0 HB2 LEU B 179 67.360 57.258 35.504 1.00 0.00 H new ATOM 0 HB3 LEU B 179 65.945 56.235 35.651 1.00 0.00 H new ATOM 0 HG LEU B 179 66.963 54.923 33.632 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.404 54.934 33.521 1.00 0.00 H new ATOM 0 HD12 LEU B 179 68.699 56.493 33.029 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.446 56.321 34.636 1.00 0.00 H new ATOM 0 HD21 LEU B 179 68.270 53.524 35.211 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.218 54.840 36.407 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.714 54.029 35.910 1.00 0.00 H new ATOM 985 N GLY B 180 63.836 56.276 33.763 1.00 0.00 N ATOM 986 CA GLY B 180 62.674 55.544 33.226 1.00 0.00 C ATOM 987 C GLY B 180 62.138 56.122 31.901 1.00 0.00 C ATOM 988 O GLY B 180 62.015 55.390 30.926 1.00 0.00 O ATOM 0 H GLY B 180 63.687 56.615 34.713 1.00 0.00 H new ATOM 0 HA2 GLY B 180 62.952 54.501 33.072 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.875 55.555 33.967 1.00 0.00 H new ATOM 992 N ILE B 181 61.844 57.426 31.885 1.00 0.00 N ATOM 993 CA ILE B 181 61.329 58.143 30.692 1.00 0.00 C ATOM 994 C ILE B 181 62.261 57.905 29.486 1.00 0.00 C ATOM 995 O ILE B 181 61.821 57.474 28.424 1.00 0.00 O ATOM 996 CB ILE B 181 61.158 59.657 30.968 1.00 0.00 C ATOM 997 CG1 ILE B 181 60.289 59.894 32.217 1.00 0.00 C ATOM 998 CG2 ILE B 181 60.492 60.342 29.769 1.00 0.00 C ATOM 999 CD1 ILE B 181 60.530 61.256 32.877 1.00 0.00 C ATOM 0 H ILE B 181 61.954 58.027 32.702 1.00 0.00 H new ATOM 0 HA ILE B 181 60.342 57.744 30.457 1.00 0.00 H new ATOM 0 HB ILE B 181 62.150 60.078 31.135 1.00 0.00 H new ATOM 0 HG12 ILE B 181 59.238 59.814 31.940 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.488 59.106 32.944 1.00 0.00 H new ATOM 0 HG21 ILE B 181 60.377 61.406 29.975 1.00 0.00 H new ATOM 0 HG22 ILE B 181 61.113 60.209 28.883 1.00 0.00 H new ATOM 0 HG23 ILE B 181 59.512 59.898 29.595 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.885 61.356 33.750 1.00 0.00 H new ATOM 0 HD12 ILE B 181 61.573 61.332 33.185 1.00 0.00 H new ATOM 0 HD13 ILE B 181 60.303 62.050 32.166 1.00 0.00 H new ATOM 1003 N TYR B 182 63.549 58.061 29.764 1.00 0.00 N ATOM 1004 CA TYR B 182 64.671 57.766 28.853 1.00 0.00 C ATOM 1005 C TYR B 182 64.582 56.367 28.200 1.00 0.00 C ATOM 1006 O TYR B 182 64.347 56.263 26.994 1.00 0.00 O ATOM 1007 CB TYR B 182 65.931 58.031 29.687 1.00 0.00 C ATOM 1008 CG TYR B 182 67.239 57.421 29.147 1.00 0.00 C ATOM 1009 CD1 TYR B 182 67.757 57.883 27.932 1.00 0.00 C ATOM 1010 CD2 TYR B 182 67.857 56.419 29.904 1.00 0.00 C ATOM 1011 CE1 TYR B 182 68.942 57.275 27.413 1.00 0.00 C ATOM 1012 CE2 TYR B 182 69.052 55.819 29.391 1.00 0.00 C ATOM 1013 CZ TYR B 182 69.539 56.258 28.157 1.00 0.00 C ATOM 1014 OH TYR B 182 70.488 55.500 27.547 1.00 0.00 O ATOM 0 H TYR B 182 63.865 58.412 30.668 1.00 0.00 H new ATOM 0 HA TYR B 182 64.667 58.403 27.968 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.065 59.109 29.774 1.00 0.00 H new ATOM 0 HB3 TYR B 182 65.763 57.648 30.694 1.00 0.00 H new ATOM 0 HD1 TYR B 182 67.270 58.684 27.396 1.00 0.00 H new ATOM 0 HD2 TYR B 182 67.443 56.106 30.851 1.00 0.00 H new ATOM 0 HE1 TYR B 182 69.363 57.594 26.471 1.00 0.00 H new ATOM 0 HE2 TYR B 182 69.564 55.046 29.944 1.00 0.00 H new ATOM 0 HH TYR B 182 70.824 54.828 28.176 1.00 0.00 H new ATOM 1019 N ILE B 183 64.565 55.324 29.038 1.00 0.00 N ATOM 1020 CA ILE B 183 64.430 53.919 28.587 1.00 0.00 C ATOM 1021 C ILE B 183 63.113 53.693 27.814 1.00 0.00 C ATOM 1022 O ILE B 183 63.099 53.163 26.711 1.00 0.00 O ATOM 1023 CB ILE B 183 64.535 52.946 29.777 1.00 0.00 C ATOM 1024 CG1 ILE B 183 65.792 53.198 30.616 1.00 0.00 C ATOM 1025 CG2 ILE B 183 64.575 51.499 29.255 1.00 0.00 C ATOM 1026 CD1 ILE B 183 65.613 52.742 32.068 1.00 0.00 C ATOM 0 H ILE B 183 64.644 55.422 30.050 1.00 0.00 H new ATOM 0 HA ILE B 183 65.254 53.717 27.903 1.00 0.00 H new ATOM 0 HB ILE B 183 63.662 53.108 30.410 1.00 0.00 H new ATOM 0 HG12 ILE B 183 66.636 52.671 30.172 1.00 0.00 H new ATOM 0 HG13 ILE B 183 66.034 54.261 30.597 1.00 0.00 H new ATOM 0 HG21 ILE B 183 64.649 50.810 30.097 1.00 0.00 H new ATOM 0 HG22 ILE B 183 63.664 51.289 28.694 1.00 0.00 H new ATOM 0 HG23 ILE B 183 65.440 51.371 28.604 1.00 0.00 H new ATOM 0 HD11 ILE B 183 66.528 52.939 32.627 1.00 0.00 H new ATOM 0 HD12 ILE B 183 64.786 53.288 32.522 1.00 0.00 H new ATOM 0 HD13 ILE B 183 65.398 51.674 32.090 1.00 0.00 H new