USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=7 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 173 HIS : +bothHN:sc= 1.27 K(o=3.5,f=-5.7!) USER MOD Set 1.2: B 172 SER OG : rot -8:sc= 2.19 USER MOD Set 2.1: A 172 SER OG : rot -72:sc= 2.13 USER MOD Set 2.2: B 173 HIS : no HD1:sc= 0.647 K(o=2.8,f=-9.4!) USER MOD Single : A 168 SER OG : rot 180:sc= 0.00954 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 35:sc= 0.276 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 65.737 49.265 54.248 1.00 0.00 N ATOM 261 CA LEU A 166 66.468 49.043 52.983 1.00 0.00 C ATOM 262 C LEU A 166 65.622 48.520 51.790 1.00 0.00 C ATOM 263 O LEU A 166 65.463 49.306 50.848 1.00 0.00 O ATOM 264 CB LEU A 166 67.756 48.238 53.203 1.00 0.00 C ATOM 265 CG LEU A 166 69.008 49.137 53.225 1.00 0.00 C ATOM 266 CD1 LEU A 166 69.093 50.015 54.476 1.00 0.00 C ATOM 267 CD2 LEU A 166 70.248 48.248 53.096 1.00 0.00 C ATOM 0 HA LEU A 166 66.750 50.044 52.657 1.00 0.00 H new ATOM 0 HB2 LEU A 166 67.686 47.693 54.144 1.00 0.00 H new ATOM 0 HB3 LEU A 166 67.858 47.495 52.412 1.00 0.00 H new ATOM 0 HG LEU A 166 68.946 49.828 52.384 1.00 0.00 H new ATOM 0 HD11 LEU A 166 69.996 50.624 54.432 1.00 0.00 H new ATOM 0 HD12 LEU A 166 68.219 50.664 54.525 1.00 0.00 H new ATOM 0 HD13 LEU A 166 69.125 49.382 55.363 1.00 0.00 H new ATOM 0 HD21 LEU A 166 71.144 48.869 53.110 1.00 0.00 H new ATOM 0 HD22 LEU A 166 70.280 47.546 53.929 1.00 0.00 H new ATOM 0 HD23 LEU A 166 70.204 47.696 52.157 1.00 0.00 H new ATOM 273 N PRO A 167 64.987 47.336 51.829 1.00 0.00 N ATOM 274 CA PRO A 167 64.238 46.795 50.672 1.00 0.00 C ATOM 275 C PRO A 167 63.031 47.642 50.235 1.00 0.00 C ATOM 276 O PRO A 167 62.808 47.798 49.040 1.00 0.00 O ATOM 277 CB PRO A 167 63.841 45.375 51.051 1.00 0.00 C ATOM 278 CG PRO A 167 63.749 45.441 52.570 1.00 0.00 C ATOM 279 CD PRO A 167 64.882 46.388 52.957 1.00 0.00 C ATOM 0 HA PRO A 167 64.877 46.815 49.789 1.00 0.00 H new ATOM 0 HB2 PRO A 167 62.891 45.087 50.601 1.00 0.00 H new ATOM 0 HB3 PRO A 167 64.583 44.647 50.722 1.00 0.00 H new ATOM 0 HG2 PRO A 167 62.781 45.820 52.897 1.00 0.00 H new ATOM 0 HG3 PRO A 167 63.876 44.458 53.023 1.00 0.00 H new ATOM 0 HD2 PRO A 167 64.662 46.907 53.890 1.00 0.00 H new ATOM 0 HD3 PRO A 167 65.816 45.846 53.106 1.00 0.00 H new ATOM 285 N SER A 168 62.305 48.225 51.198 1.00 0.00 N ATOM 286 CA SER A 168 61.187 49.144 50.909 1.00 0.00 C ATOM 287 C SER A 168 61.639 50.433 50.210 1.00 0.00 C ATOM 288 O SER A 168 61.107 50.771 49.147 1.00 0.00 O ATOM 289 CB SER A 168 60.408 49.486 52.185 1.00 0.00 C ATOM 290 OG SER A 168 61.330 49.774 53.245 1.00 0.00 O ATOM 0 H SER A 168 62.471 48.077 52.193 1.00 0.00 H new ATOM 0 HA SER A 168 60.531 48.613 50.219 1.00 0.00 H new ATOM 0 HB2 SER A 168 59.760 50.344 52.009 1.00 0.00 H new ATOM 0 HB3 SER A 168 59.764 48.652 52.465 1.00 0.00 H new ATOM 0 HG SER A 168 60.833 49.994 54.060 1.00 0.00 H new ATOM 296 N LEU A 169 62.707 51.051 50.720 1.00 0.00 N ATOM 297 CA LEU A 169 63.342 52.207 50.058 1.00 0.00 C ATOM 298 C LEU A 169 63.832 51.866 48.640 1.00 0.00 C ATOM 299 O LEU A 169 63.342 52.450 47.677 1.00 0.00 O ATOM 300 CB LEU A 169 64.471 52.809 50.908 1.00 0.00 C ATOM 301 CG LEU A 169 64.531 54.317 50.681 1.00 0.00 C ATOM 302 CD1 LEU A 169 63.428 55.040 51.457 1.00 0.00 C ATOM 303 CD2 LEU A 169 65.899 54.882 51.051 1.00 0.00 C ATOM 0 H LEU A 169 63.156 50.773 51.593 1.00 0.00 H new ATOM 0 HA LEU A 169 62.568 52.968 49.958 1.00 0.00 H new ATOM 0 HB2 LEU A 169 64.299 52.596 51.963 1.00 0.00 H new ATOM 0 HB3 LEU A 169 65.424 52.352 50.642 1.00 0.00 H new ATOM 0 HG LEU A 169 64.369 54.489 49.617 1.00 0.00 H new ATOM 0 HD11 LEU A 169 63.498 56.112 51.274 1.00 0.00 H new ATOM 0 HD12 LEU A 169 62.454 54.678 51.127 1.00 0.00 H new ATOM 0 HD13 LEU A 169 63.545 54.845 52.523 1.00 0.00 H new ATOM 0 HD21 LEU A 169 65.907 55.958 50.877 1.00 0.00 H new ATOM 0 HD22 LEU A 169 66.103 54.683 52.103 1.00 0.00 H new ATOM 0 HD23 LEU A 169 66.666 54.410 50.437 1.00 0.00 H new ATOM 309 N LEU A 170 64.569 50.747 48.526 1.00 0.00 N ATOM 310 CA LEU A 170 64.988 50.172 47.228 1.00 0.00 C ATOM 311 C LEU A 170 63.837 50.017 46.222 1.00 0.00 C ATOM 312 O LEU A 170 63.847 50.652 45.169 1.00 0.00 O ATOM 313 CB LEU A 170 65.677 48.816 47.458 1.00 0.00 C ATOM 314 CG LEU A 170 67.136 48.953 47.874 1.00 0.00 C ATOM 315 CD1 LEU A 170 67.568 47.745 48.715 1.00 0.00 C ATOM 316 CD2 LEU A 170 68.035 49.009 46.639 1.00 0.00 C ATOM 0 H LEU A 170 64.893 50.212 49.331 1.00 0.00 H new ATOM 0 HA LEU A 170 65.686 50.882 46.784 1.00 0.00 H new ATOM 0 HB2 LEU A 170 65.136 48.265 48.227 1.00 0.00 H new ATOM 0 HB3 LEU A 170 65.619 48.226 46.544 1.00 0.00 H new ATOM 0 HG LEU A 170 67.232 49.870 48.455 1.00 0.00 H new ATOM 0 HD11 LEU A 170 68.613 47.858 49.004 1.00 0.00 H new ATOM 0 HD12 LEU A 170 66.948 47.684 49.610 1.00 0.00 H new ATOM 0 HD13 LEU A 170 67.450 46.833 48.129 1.00 0.00 H new ATOM 0 HD21 LEU A 170 69.075 49.107 46.950 1.00 0.00 H new ATOM 0 HD22 LEU A 170 67.914 48.094 46.059 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.758 49.866 46.026 1.00 0.00 H new ATOM 322 N LEU A 171 62.790 49.304 46.638 1.00 0.00 N ATOM 323 CA LEU A 171 61.584 49.082 45.806 1.00 0.00 C ATOM 324 C LEU A 171 60.853 50.371 45.409 1.00 0.00 C ATOM 325 O LEU A 171 60.477 50.511 44.245 1.00 0.00 O ATOM 326 CB LEU A 171 60.640 48.068 46.483 1.00 0.00 C ATOM 327 CG LEU A 171 59.572 47.513 45.532 1.00 0.00 C ATOM 328 CD1 LEU A 171 60.179 46.782 44.326 1.00 0.00 C ATOM 329 CD2 LEU A 171 58.647 46.564 46.279 1.00 0.00 C ATOM 0 H LEU A 171 62.744 48.861 47.556 1.00 0.00 H new ATOM 0 HA LEU A 171 61.933 48.660 44.864 1.00 0.00 H new ATOM 0 HB2 LEU A 171 61.229 47.241 46.880 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.150 48.547 47.331 1.00 0.00 H new ATOM 0 HG LEU A 171 59.012 48.368 45.155 1.00 0.00 H new ATOM 0 HD11 LEU A 171 59.379 46.410 43.686 1.00 0.00 H new ATOM 0 HD12 LEU A 171 60.805 47.472 43.760 1.00 0.00 H new ATOM 0 HD13 LEU A 171 60.784 45.945 44.675 1.00 0.00 H new ATOM 0 HD21 LEU A 171 57.893 46.176 45.594 1.00 0.00 H new ATOM 0 HD22 LEU A 171 59.227 45.736 46.686 1.00 0.00 H new ATOM 0 HD23 LEU A 171 58.157 47.099 47.093 1.00 0.00 H new ATOM 335 N SER A 172 60.794 51.343 46.313 1.00 0.00 N ATOM 336 CA SER A 172 60.185 52.666 46.033 1.00 0.00 C ATOM 337 C SER A 172 60.799 53.370 44.805 1.00 0.00 C ATOM 338 O SER A 172 60.076 53.752 43.885 1.00 0.00 O ATOM 339 CB SER A 172 60.186 53.583 47.262 1.00 0.00 C ATOM 340 OG SER A 172 61.451 54.209 47.519 1.00 0.00 O ATOM 0 H SER A 172 61.161 51.250 47.260 1.00 0.00 H new ATOM 0 HA SER A 172 59.145 52.457 45.783 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.430 54.356 47.127 1.00 0.00 H new ATOM 0 HB3 SER A 172 59.895 53.002 48.137 1.00 0.00 H new ATOM 0 HG SER A 172 62.084 53.541 47.857 1.00 0.00 H new ATOM 346 N HIS A 173 62.136 53.396 44.747 1.00 0.00 N ATOM 347 CA HIS A 173 62.889 53.904 43.584 1.00 0.00 C ATOM 348 C HIS A 173 62.713 53.027 42.330 1.00 0.00 C ATOM 349 O HIS A 173 62.498 53.552 41.242 1.00 0.00 O ATOM 350 CB HIS A 173 64.376 54.004 43.909 1.00 0.00 C ATOM 351 CG HIS A 173 64.682 55.073 44.956 1.00 0.00 C ATOM 352 ND1 HIS A 173 64.863 54.862 46.260 1.00 0.00 N ATOM 353 CD2 HIS A 173 65.019 56.321 44.686 1.00 0.00 C ATOM 354 CE1 HIS A 173 65.359 55.980 46.782 1.00 0.00 C ATOM 355 NE2 HIS A 173 65.444 56.884 45.807 1.00 0.00 N ATOM 0 H HIS A 173 62.732 53.065 45.506 1.00 0.00 H new ATOM 0 HA HIS A 173 62.481 54.891 43.366 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.731 53.038 44.268 1.00 0.00 H new ATOM 0 HB3 HIS A 173 64.929 54.227 42.996 1.00 0.00 H new ATOM 0 HD1 HIS A 173 64.658 54.000 46.765 1.00 0.00 H new ATOM 0 HD2 HIS A 173 64.959 56.799 43.720 1.00 0.00 H new ATOM 0 HE1 HIS A 173 65.643 56.129 47.813 1.00 0.00 H new ATOM 0 HE2 HIS A 173 65.778 57.843 45.907 1.00 0.00 H new ATOM 360 N LEU A 174 62.812 51.713 42.509 1.00 0.00 N ATOM 361 CA LEU A 174 62.559 50.726 41.439 1.00 0.00 C ATOM 362 C LEU A 174 61.233 50.956 40.685 1.00 0.00 C ATOM 363 O LEU A 174 61.225 51.110 39.471 1.00 0.00 O ATOM 364 CB LEU A 174 62.649 49.303 41.996 1.00 0.00 C ATOM 365 CG LEU A 174 64.113 48.897 42.236 1.00 0.00 C ATOM 366 CD1 LEU A 174 64.185 47.755 43.237 1.00 0.00 C ATOM 367 CD2 LEU A 174 64.768 48.461 40.925 1.00 0.00 C ATOM 0 H LEU A 174 63.071 51.291 43.401 1.00 0.00 H new ATOM 0 HA LEU A 174 63.342 50.866 40.694 1.00 0.00 H new ATOM 0 HB2 LEU A 174 62.092 49.239 42.931 1.00 0.00 H new ATOM 0 HB3 LEU A 174 62.184 48.606 41.299 1.00 0.00 H new ATOM 0 HG LEU A 174 64.646 49.761 42.633 1.00 0.00 H new ATOM 0 HD11 LEU A 174 65.227 47.477 43.398 1.00 0.00 H new ATOM 0 HD12 LEU A 174 63.744 48.071 44.182 1.00 0.00 H new ATOM 0 HD13 LEU A 174 63.636 46.896 42.850 1.00 0.00 H new ATOM 0 HD21 LEU A 174 65.804 48.177 41.112 1.00 0.00 H new ATOM 0 HD22 LEU A 174 64.227 47.609 40.514 1.00 0.00 H new ATOM 0 HD23 LEU A 174 64.741 49.286 40.213 1.00 0.00 H new ATOM 373 N LEU A 175 60.173 51.173 41.467 1.00 0.00 N ATOM 374 CA LEU A 175 58.836 51.548 40.951 1.00 0.00 C ATOM 375 C LEU A 175 58.796 52.888 40.212 1.00 0.00 C ATOM 376 O LEU A 175 58.078 53.020 39.226 1.00 0.00 O ATOM 377 CB LEU A 175 57.840 51.559 42.112 1.00 0.00 C ATOM 378 CG LEU A 175 57.581 50.134 42.621 1.00 0.00 C ATOM 379 CD1 LEU A 175 57.045 50.224 44.044 1.00 0.00 C ATOM 380 CD2 LEU A 175 56.567 49.394 41.738 1.00 0.00 C ATOM 0 H LEU A 175 60.209 51.095 42.483 1.00 0.00 H new ATOM 0 HA LEU A 175 58.568 50.798 40.207 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.227 52.175 42.923 1.00 0.00 H new ATOM 0 HB3 LEU A 175 56.902 52.011 41.788 1.00 0.00 H new ATOM 0 HG LEU A 175 58.516 49.574 42.591 1.00 0.00 H new ATOM 0 HD11 LEU A 175 56.854 49.221 44.425 1.00 0.00 H new ATOM 0 HD12 LEU A 175 57.780 50.720 44.679 1.00 0.00 H new ATOM 0 HD13 LEU A 175 56.117 50.796 44.048 1.00 0.00 H new ATOM 0 HD21 LEU A 175 56.409 48.389 42.129 1.00 0.00 H new ATOM 0 HD22 LEU A 175 55.621 49.936 41.737 1.00 0.00 H new ATOM 0 HD23 LEU A 175 56.950 49.331 40.719 1.00 0.00 H new ATOM 386 N ALA A 176 59.565 53.864 40.694 1.00 0.00 N ATOM 387 CA ALA A 176 59.725 55.177 40.035 1.00 0.00 C ATOM 388 C ALA A 176 60.363 55.061 38.628 1.00 0.00 C ATOM 389 O ALA A 176 59.810 55.573 37.657 1.00 0.00 O ATOM 390 CB ALA A 176 60.548 56.111 40.924 1.00 0.00 C ATOM 0 H ALA A 176 60.101 53.774 41.557 1.00 0.00 H new ATOM 0 HA ALA A 176 58.728 55.595 39.894 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.661 57.076 40.431 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.038 56.248 41.878 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.532 55.675 41.098 1.00 0.00 H new ATOM 396 N ILE A 177 61.448 54.283 38.522 1.00 0.00 N ATOM 397 CA ILE A 177 62.081 53.930 37.222 1.00 0.00 C ATOM 398 C ILE A 177 61.072 53.177 36.341 1.00 0.00 C ATOM 399 O ILE A 177 60.942 53.458 35.151 1.00 0.00 O ATOM 400 CB ILE A 177 63.337 53.053 37.408 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.257 53.576 38.525 1.00 0.00 C ATOM 402 CG2 ILE A 177 64.140 53.012 36.092 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.061 52.454 39.192 1.00 0.00 C ATOM 0 H ILE A 177 61.920 53.875 39.329 1.00 0.00 H new ATOM 0 HA ILE A 177 62.385 54.862 36.745 1.00 0.00 H new ATOM 0 HB ILE A 177 62.993 52.057 37.688 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.943 54.315 38.111 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.656 54.086 39.278 1.00 0.00 H new ATOM 0 HG21 ILE A 177 65.027 52.392 36.226 1.00 0.00 H new ATOM 0 HG22 ILE A 177 63.520 52.592 35.300 1.00 0.00 H new ATOM 0 HG23 ILE A 177 64.442 54.023 35.818 1.00 0.00 H new ATOM 0 HD11 ILE A 177 65.694 52.875 39.973 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.377 51.728 39.632 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.684 51.960 38.446 1.00 0.00 H new ATOM 407 N GLY A 178 60.397 52.205 36.962 1.00 0.00 N ATOM 408 CA GLY A 178 59.249 51.452 36.395 1.00 0.00 C ATOM 409 C GLY A 178 58.251 52.377 35.691 1.00 0.00 C ATOM 410 O GLY A 178 58.184 52.384 34.459 1.00 0.00 O ATOM 0 H GLY A 178 60.635 51.902 37.907 1.00 0.00 H new ATOM 0 HA2 GLY A 178 59.616 50.709 35.688 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.741 50.910 37.192 1.00 0.00 H new ATOM 414 N LEU A 179 57.669 53.272 36.488 1.00 0.00 N ATOM 415 CA LEU A 179 56.780 54.350 36.020 1.00 0.00 C ATOM 416 C LEU A 179 57.411 55.155 34.866 1.00 0.00 C ATOM 417 O LEU A 179 56.776 55.262 33.817 1.00 0.00 O ATOM 418 CB LEU A 179 56.406 55.284 37.183 1.00 0.00 C ATOM 419 CG LEU A 179 55.465 56.424 36.766 1.00 0.00 C ATOM 420 CD1 LEU A 179 54.072 55.907 36.352 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.349 57.464 37.875 1.00 0.00 C ATOM 0 H LEU A 179 57.801 53.273 37.499 1.00 0.00 H new ATOM 0 HA LEU A 179 55.874 53.881 35.637 1.00 0.00 H new ATOM 0 HB2 LEU A 179 55.931 54.700 37.971 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.316 55.709 37.606 1.00 0.00 H new ATOM 0 HG LEU A 179 55.905 56.899 35.889 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.442 56.749 36.066 1.00 0.00 H new ATOM 0 HD12 LEU A 179 54.173 55.225 35.507 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.615 55.381 37.190 1.00 0.00 H new ATOM 0 HD21 LEU A 179 54.678 58.262 37.557 1.00 0.00 H new ATOM 0 HD22 LEU A 179 54.953 56.994 38.775 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.333 57.881 38.087 1.00 0.00 H new ATOM 427 N GLY A 180 58.670 55.541 35.026 1.00 0.00 N ATOM 428 CA GLY A 180 59.464 56.260 34.009 1.00 0.00 C ATOM 429 C GLY A 180 59.389 55.640 32.604 1.00 0.00 C ATOM 430 O GLY A 180 58.804 56.228 31.690 1.00 0.00 O ATOM 0 H GLY A 180 59.191 55.363 35.885 1.00 0.00 H new ATOM 0 HA2 GLY A 180 59.120 57.293 33.958 1.00 0.00 H new ATOM 0 HA3 GLY A 180 60.506 56.286 34.328 1.00 0.00 H new ATOM 434 N ILE A 181 59.881 54.407 32.492 1.00 0.00 N ATOM 435 CA ILE A 181 59.872 53.654 31.208 1.00 0.00 C ATOM 436 C ILE A 181 58.428 53.434 30.719 1.00 0.00 C ATOM 437 O ILE A 181 58.112 53.781 29.584 1.00 0.00 O ATOM 438 CB ILE A 181 60.646 52.325 31.346 1.00 0.00 C ATOM 439 CG1 ILE A 181 62.046 52.571 31.942 1.00 0.00 C ATOM 440 CG2 ILE A 181 60.814 51.663 29.964 1.00 0.00 C ATOM 441 CD1 ILE A 181 62.613 51.359 32.676 1.00 0.00 C ATOM 0 H ILE A 181 60.296 53.894 33.270 1.00 0.00 H new ATOM 0 HA ILE A 181 60.385 54.248 30.451 1.00 0.00 H new ATOM 0 HB ILE A 181 60.076 51.673 32.008 1.00 0.00 H new ATOM 0 HG12 ILE A 181 62.729 52.854 31.141 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.996 53.414 32.631 1.00 0.00 H new ATOM 0 HG21 ILE A 181 61.361 50.727 30.073 1.00 0.00 H new ATOM 0 HG22 ILE A 181 59.832 51.462 29.535 1.00 0.00 H new ATOM 0 HG23 ILE A 181 61.368 52.332 29.305 1.00 0.00 H new ATOM 0 HD11 ILE A 181 63.600 51.601 33.070 1.00 0.00 H new ATOM 0 HD12 ILE A 181 61.950 51.089 33.498 1.00 0.00 H new ATOM 0 HD13 ILE A 181 62.694 50.520 31.985 1.00 0.00 H new ATOM 445 N TYR A 182 57.567 53.004 31.643 1.00 0.00 N ATOM 446 CA TYR A 182 56.126 52.801 31.418 1.00 0.00 C ATOM 447 C TYR A 182 55.438 54.012 30.747 1.00 0.00 C ATOM 448 O TYR A 182 55.062 53.922 29.587 1.00 0.00 O ATOM 449 CB TYR A 182 55.476 52.386 32.753 1.00 0.00 C ATOM 450 CG TYR A 182 53.950 52.297 32.763 1.00 0.00 C ATOM 451 CD1 TYR A 182 53.290 51.380 31.913 1.00 0.00 C ATOM 452 CD2 TYR A 182 53.234 53.170 33.608 1.00 0.00 C ATOM 453 CE1 TYR A 182 51.882 51.363 31.900 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.824 53.151 33.586 1.00 0.00 C ATOM 455 CZ TYR A 182 51.163 52.255 32.723 1.00 0.00 C ATOM 456 OH TYR A 182 49.844 52.423 32.481 1.00 0.00 O ATOM 0 H TYR A 182 57.856 52.780 32.595 1.00 0.00 H new ATOM 0 HA TYR A 182 55.988 51.996 30.696 1.00 0.00 H new ATOM 0 HB2 TYR A 182 55.878 51.415 33.042 1.00 0.00 H new ATOM 0 HB3 TYR A 182 55.782 53.098 33.519 1.00 0.00 H new ATOM 0 HD1 TYR A 182 53.855 50.706 31.286 1.00 0.00 H new ATOM 0 HD2 TYR A 182 53.760 53.846 34.265 1.00 0.00 H new ATOM 0 HE1 TYR A 182 51.354 50.669 31.262 1.00 0.00 H new ATOM 0 HE2 TYR A 182 51.258 53.815 34.223 1.00 0.00 H new ATOM 0 HH TYR A 182 49.473 53.064 33.123 1.00 0.00 H new ATOM 461 N ILE A 183 55.523 55.169 31.401 1.00 0.00 N ATOM 462 CA ILE A 183 54.937 56.445 30.928 1.00 0.00 C ATOM 463 C ILE A 183 55.625 57.020 29.665 1.00 0.00 C ATOM 464 O ILE A 183 54.981 57.633 28.819 1.00 0.00 O ATOM 465 CB ILE A 183 54.903 57.429 32.124 1.00 0.00 C ATOM 466 CG1 ILE A 183 53.818 58.488 31.961 1.00 0.00 C ATOM 467 CG2 ILE A 183 56.243 58.094 32.463 1.00 0.00 C ATOM 468 CD1 ILE A 183 52.453 57.911 32.344 1.00 0.00 C ATOM 0 H ILE A 183 56.009 55.259 32.293 1.00 0.00 H new ATOM 0 HA ILE A 183 53.919 56.264 30.584 1.00 0.00 H new ATOM 0 HB ILE A 183 54.665 56.791 32.975 1.00 0.00 H new ATOM 0 HG12 ILE A 183 54.045 59.351 32.587 1.00 0.00 H new ATOM 0 HG13 ILE A 183 53.796 58.840 30.930 1.00 0.00 H new ATOM 0 HG21 ILE A 183 56.112 58.763 33.313 1.00 0.00 H new ATOM 0 HG22 ILE A 183 56.976 57.328 32.714 1.00 0.00 H new ATOM 0 HG23 ILE A 183 56.594 58.664 31.603 1.00 0.00 H new ATOM 0 HD11 ILE A 183 51.687 58.677 32.223 1.00 0.00 H new ATOM 0 HD12 ILE A 183 52.223 57.063 31.699 1.00 0.00 H new ATOM 0 HD13 ILE A 183 52.476 57.581 33.383 1.00 0.00 H new ATOM 472 N GLY A 184 56.946 56.792 29.576 1.00 0.00 N ATOM 473 CA GLY A 184 57.843 57.350 28.544 1.00 0.00 C ATOM 474 C GLY A 184 57.456 57.022 27.102 1.00 0.00 C ATOM 475 O GLY A 184 57.520 57.891 26.219 1.00 0.00 O ATOM 0 H GLY A 184 57.437 56.195 30.241 1.00 0.00 H new ATOM 0 HA2 GLY A 184 57.873 58.434 28.658 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.853 56.982 28.725 1.00 0.00 H new ATOM 479 N ARG A 185 57.010 55.786 26.908 1.00 0.00 N ATOM 480 CA ARG A 185 56.618 55.260 25.590 1.00 0.00 C ATOM 481 C ARG A 185 55.465 55.987 24.873 1.00 0.00 C ATOM 482 O ARG A 185 55.323 55.854 23.665 1.00 0.00 O ATOM 483 CB ARG A 185 56.422 53.742 25.669 1.00 0.00 C ATOM 484 CG ARG A 185 57.784 53.034 25.644 1.00 0.00 C ATOM 485 CD ARG A 185 57.706 51.525 25.916 1.00 0.00 C ATOM 486 NE ARG A 185 56.802 50.851 24.972 1.00 0.00 N ATOM 487 CZ ARG A 185 56.854 49.592 24.524 1.00 0.00 C ATOM 488 NH1 ARG A 185 57.665 48.657 25.028 1.00 0.00 N ATOM 489 NH2 ARG A 185 55.951 49.199 23.641 1.00 0.00 N ATOM 0 H ARG A 185 56.907 55.108 27.663 1.00 0.00 H new ATOM 0 HA ARG A 185 57.456 55.481 24.929 1.00 0.00 H new ATOM 0 HB2 ARG A 185 55.885 53.483 26.582 1.00 0.00 H new ATOM 0 HB3 ARG A 185 55.811 53.402 24.833 1.00 0.00 H new ATOM 0 HG2 ARG A 185 58.248 53.194 24.671 1.00 0.00 H new ATOM 0 HG3 ARG A 185 58.435 53.494 26.387 1.00 0.00 H new ATOM 0 HD2 ARG A 185 58.702 51.089 25.841 1.00 0.00 H new ATOM 0 HD3 ARG A 185 57.360 51.356 26.936 1.00 0.00 H new ATOM 0 HE ARG A 185 56.035 51.418 24.612 1.00 0.00 H new ATOM 0 HH11 ARG A 185 58.292 48.887 25.799 1.00 0.00 H new ATOM 0 HH12 ARG A 185 57.657 47.713 24.642 1.00 0.00 H new ATOM 0 HH21 ARG A 185 55.237 49.851 23.317 1.00 0.00 H new ATOM 0 HH22 ARG A 185 55.969 48.244 23.284 1.00 0.00 H new ATOM 802 N PHE B 165 66.398 62.991 54.893 1.00 0.00 N ATOM 803 CA PHE B 165 66.262 62.063 53.752 1.00 0.00 C ATOM 804 C PHE B 165 65.299 62.539 52.657 1.00 0.00 C ATOM 805 O PHE B 165 65.677 62.594 51.488 1.00 0.00 O ATOM 806 CB PHE B 165 65.912 60.656 54.285 1.00 0.00 C ATOM 807 CG PHE B 165 67.134 59.790 54.629 1.00 0.00 C ATOM 808 CD1 PHE B 165 68.207 60.281 55.425 1.00 0.00 C ATOM 809 CD2 PHE B 165 67.229 58.515 54.021 1.00 0.00 C ATOM 810 CE1 PHE B 165 69.385 59.517 55.577 1.00 0.00 C ATOM 811 CE2 PHE B 165 68.400 57.736 54.187 1.00 0.00 C ATOM 812 CZ PHE B 165 69.475 58.254 54.958 1.00 0.00 C ATOM 0 HA PHE B 165 67.225 62.028 53.242 1.00 0.00 H new ATOM 0 HB2 PHE B 165 65.293 60.761 55.176 1.00 0.00 H new ATOM 0 HB3 PHE B 165 65.311 60.136 53.539 1.00 0.00 H new ATOM 0 HD1 PHE B 165 68.120 61.240 55.914 1.00 0.00 H new ATOM 0 HD2 PHE B 165 66.408 58.136 53.430 1.00 0.00 H new ATOM 0 HE1 PHE B 165 70.209 59.897 56.162 1.00 0.00 H new ATOM 0 HE2 PHE B 165 68.475 56.759 53.733 1.00 0.00 H new ATOM 0 HZ PHE B 165 70.376 57.670 55.072 1.00 0.00 H new ATOM 818 N LEU B 166 64.112 63.015 53.053 1.00 0.00 N ATOM 819 CA LEU B 166 63.045 63.459 52.126 1.00 0.00 C ATOM 820 C LEU B 166 63.392 64.324 50.894 1.00 0.00 C ATOM 821 O LEU B 166 63.010 63.897 49.805 1.00 0.00 O ATOM 822 CB LEU B 166 61.841 64.045 52.880 1.00 0.00 C ATOM 823 CG LEU B 166 60.979 62.940 53.505 1.00 0.00 C ATOM 824 CD1 LEU B 166 60.024 63.575 54.513 1.00 0.00 C ATOM 825 CD2 LEU B 166 60.187 62.179 52.440 1.00 0.00 C ATOM 0 H LEU B 166 63.855 63.107 54.036 1.00 0.00 H new ATOM 0 HA LEU B 166 62.806 62.507 51.653 1.00 0.00 H new ATOM 0 HB2 LEU B 166 62.192 64.720 53.661 1.00 0.00 H new ATOM 0 HB3 LEU B 166 61.235 64.638 52.195 1.00 0.00 H new ATOM 0 HG LEU B 166 61.632 62.223 54.003 1.00 0.00 H new ATOM 0 HD11 LEU B 166 59.405 62.800 54.965 1.00 0.00 H new ATOM 0 HD12 LEU B 166 60.598 64.080 55.290 1.00 0.00 H new ATOM 0 HD13 LEU B 166 59.387 64.298 54.005 1.00 0.00 H new ATOM 0 HD21 LEU B 166 59.587 61.404 52.917 1.00 0.00 H new ATOM 0 HD22 LEU B 166 59.531 62.871 51.911 1.00 0.00 H new ATOM 0 HD23 LEU B 166 60.877 61.720 51.732 1.00 0.00 H new ATOM 831 N PRO B 167 64.102 65.476 50.979 1.00 0.00 N ATOM 832 CA PRO B 167 64.350 66.338 49.806 1.00 0.00 C ATOM 833 C PRO B 167 65.112 65.624 48.671 1.00 0.00 C ATOM 834 O PRO B 167 64.588 65.464 47.569 1.00 0.00 O ATOM 835 CB PRO B 167 65.119 67.551 50.355 1.00 0.00 C ATOM 836 CG PRO B 167 65.790 67.013 51.606 1.00 0.00 C ATOM 837 CD PRO B 167 64.763 66.037 52.170 1.00 0.00 C ATOM 0 HA PRO B 167 63.412 66.631 49.334 1.00 0.00 H new ATOM 0 HB2 PRO B 167 65.850 67.921 49.636 1.00 0.00 H new ATOM 0 HB3 PRO B 167 64.449 68.380 50.584 1.00 0.00 H new ATOM 0 HG2 PRO B 167 66.731 66.515 51.374 1.00 0.00 H new ATOM 0 HG3 PRO B 167 66.017 67.810 52.314 1.00 0.00 H new ATOM 0 HD2 PRO B 167 65.240 65.258 52.765 1.00 0.00 H new ATOM 0 HD3 PRO B 167 64.049 66.542 52.820 1.00 0.00 H new ATOM 843 N SER B 168 66.274 65.068 49.021 1.00 0.00 N ATOM 844 CA SER B 168 67.117 64.246 48.134 1.00 0.00 C ATOM 845 C SER B 168 66.424 62.941 47.698 1.00 0.00 C ATOM 846 O SER B 168 66.552 62.561 46.528 1.00 0.00 O ATOM 847 CB SER B 168 68.448 63.973 48.821 1.00 0.00 C ATOM 848 OG SER B 168 68.188 63.677 50.199 1.00 0.00 O ATOM 0 H SER B 168 66.670 65.177 49.955 1.00 0.00 H new ATOM 0 HA SER B 168 67.293 64.805 47.215 1.00 0.00 H new ATOM 0 HB2 SER B 168 68.958 63.137 48.342 1.00 0.00 H new ATOM 0 HB3 SER B 168 69.105 64.839 48.735 1.00 0.00 H new ATOM 0 HG SER B 168 67.339 63.194 50.275 1.00 0.00 H new ATOM 854 N LEU B 169 65.645 62.333 48.592 1.00 0.00 N ATOM 855 CA LEU B 169 64.726 61.231 48.220 1.00 0.00 C ATOM 856 C LEU B 169 63.745 61.595 47.104 1.00 0.00 C ATOM 857 O LEU B 169 63.937 61.137 45.985 1.00 0.00 O ATOM 858 CB LEU B 169 63.970 60.629 49.417 1.00 0.00 C ATOM 859 CG LEU B 169 64.831 59.664 50.234 1.00 0.00 C ATOM 860 CD1 LEU B 169 64.067 59.227 51.471 1.00 0.00 C ATOM 861 CD2 LEU B 169 65.234 58.422 49.430 1.00 0.00 C ATOM 0 H LEU B 169 65.624 62.577 49.582 1.00 0.00 H new ATOM 0 HA LEU B 169 65.394 60.463 47.830 1.00 0.00 H new ATOM 0 HB2 LEU B 169 63.621 61.434 50.063 1.00 0.00 H new ATOM 0 HB3 LEU B 169 63.086 60.104 49.056 1.00 0.00 H new ATOM 0 HG LEU B 169 65.743 60.194 50.510 1.00 0.00 H new ATOM 0 HD11 LEU B 169 64.680 58.539 52.053 1.00 0.00 H new ATOM 0 HD12 LEU B 169 63.826 60.100 52.077 1.00 0.00 H new ATOM 0 HD13 LEU B 169 63.146 58.727 51.172 1.00 0.00 H new ATOM 0 HD21 LEU B 169 65.844 57.768 50.053 1.00 0.00 H new ATOM 0 HD22 LEU B 169 64.338 57.888 49.111 1.00 0.00 H new ATOM 0 HD23 LEU B 169 65.806 58.726 48.554 1.00 0.00 H new ATOM 867 N LEU B 170 62.924 62.624 47.329 1.00 0.00 N ATOM 868 CA LEU B 170 61.977 63.157 46.315 1.00 0.00 C ATOM 869 C LEU B 170 62.655 63.460 44.960 1.00 0.00 C ATOM 870 O LEU B 170 62.220 62.969 43.922 1.00 0.00 O ATOM 871 CB LEU B 170 61.277 64.414 46.832 1.00 0.00 C ATOM 872 CG LEU B 170 60.264 64.071 47.926 1.00 0.00 C ATOM 873 CD1 LEU B 170 59.906 65.339 48.697 1.00 0.00 C ATOM 874 CD2 LEU B 170 58.983 63.460 47.321 1.00 0.00 C ATOM 0 H LEU B 170 62.888 63.121 48.219 1.00 0.00 H new ATOM 0 HA LEU B 170 61.241 62.371 46.144 1.00 0.00 H new ATOM 0 HB2 LEU B 170 62.018 65.111 47.224 1.00 0.00 H new ATOM 0 HB3 LEU B 170 60.771 64.917 46.008 1.00 0.00 H new ATOM 0 HG LEU B 170 60.712 63.338 48.596 1.00 0.00 H new ATOM 0 HD11 LEU B 170 59.184 65.099 49.478 1.00 0.00 H new ATOM 0 HD12 LEU B 170 60.806 65.755 49.150 1.00 0.00 H new ATOM 0 HD13 LEU B 170 59.472 66.070 48.014 1.00 0.00 H new ATOM 0 HD21 LEU B 170 58.279 63.225 48.120 1.00 0.00 H new ATOM 0 HD22 LEU B 170 58.528 64.175 46.635 1.00 0.00 H new ATOM 0 HD23 LEU B 170 59.235 62.548 46.780 1.00 0.00 H new ATOM 880 N LEU B 171 63.804 64.140 45.045 1.00 0.00 N ATOM 881 CA LEU B 171 64.689 64.406 43.884 1.00 0.00 C ATOM 882 C LEU B 171 65.046 63.110 43.138 1.00 0.00 C ATOM 883 O LEU B 171 64.635 62.936 41.986 1.00 0.00 O ATOM 884 CB LEU B 171 65.937 65.141 44.405 1.00 0.00 C ATOM 885 CG LEU B 171 66.832 65.651 43.267 1.00 0.00 C ATOM 886 CD1 LEU B 171 66.162 66.807 42.509 1.00 0.00 C ATOM 887 CD2 LEU B 171 68.183 66.087 43.823 1.00 0.00 C ATOM 0 H LEU B 171 64.156 64.527 45.921 1.00 0.00 H new ATOM 0 HA LEU B 171 64.176 65.032 43.154 1.00 0.00 H new ATOM 0 HB2 LEU B 171 65.628 65.982 45.025 1.00 0.00 H new ATOM 0 HB3 LEU B 171 66.512 64.469 45.043 1.00 0.00 H new ATOM 0 HG LEU B 171 66.986 64.836 42.560 1.00 0.00 H new ATOM 0 HD11 LEU B 171 66.820 67.147 41.709 1.00 0.00 H new ATOM 0 HD12 LEU B 171 65.219 66.464 42.083 1.00 0.00 H new ATOM 0 HD13 LEU B 171 65.971 67.631 43.197 1.00 0.00 H new ATOM 0 HD21 LEU B 171 68.812 66.448 43.009 1.00 0.00 H new ATOM 0 HD22 LEU B 171 68.037 66.886 44.550 1.00 0.00 H new ATOM 0 HD23 LEU B 171 68.667 65.240 44.308 1.00 0.00 H new ATOM 893 N SER B 172 65.638 62.156 43.849 1.00 0.00 N ATOM 894 CA SER B 172 65.971 60.820 43.309 1.00 0.00 C ATOM 895 C SER B 172 64.781 60.037 42.723 1.00 0.00 C ATOM 896 O SER B 172 64.892 59.575 41.599 1.00 0.00 O ATOM 897 CB SER B 172 66.753 59.967 44.319 1.00 0.00 C ATOM 898 OG SER B 172 65.969 59.574 45.460 1.00 0.00 O ATOM 0 H SER B 172 65.907 62.278 44.825 1.00 0.00 H new ATOM 0 HA SER B 172 66.618 61.032 42.458 1.00 0.00 H new ATOM 0 HB2 SER B 172 67.126 59.074 43.818 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.623 60.527 44.661 1.00 0.00 H new ATOM 0 HG SER B 172 65.107 60.040 45.441 1.00 0.00 H new ATOM 904 N HIS B 173 63.632 60.024 43.412 1.00 0.00 N ATOM 905 CA HIS B 173 62.395 59.390 42.905 1.00 0.00 C ATOM 906 C HIS B 173 61.882 60.018 41.601 1.00 0.00 C ATOM 907 O HIS B 173 61.756 59.313 40.588 1.00 0.00 O ATOM 908 CB HIS B 173 61.302 59.430 43.977 1.00 0.00 C ATOM 909 CG HIS B 173 61.610 58.496 45.149 1.00 0.00 C ATOM 910 ND1 HIS B 173 62.299 58.812 46.248 1.00 0.00 N ATOM 911 CD2 HIS B 173 61.185 57.238 45.284 1.00 0.00 C ATOM 912 CE1 HIS B 173 62.300 57.763 47.053 1.00 0.00 C ATOM 913 NE2 HIS B 173 61.624 56.792 46.461 1.00 0.00 N ATOM 0 H HIS B 173 63.528 60.449 44.333 1.00 0.00 H new ATOM 0 HA HIS B 173 62.649 58.356 42.673 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.194 60.450 44.346 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.348 59.149 43.532 1.00 0.00 H new ATOM 0 HD2 HIS B 173 60.594 56.683 44.571 1.00 0.00 H new ATOM 0 HE1 HIS B 173 62.770 57.708 48.024 1.00 0.00 H new ATOM 0 HE2 HIS B 173 61.465 55.859 46.841 1.00 0.00 H new ATOM 918 N LEU B 174 61.739 61.347 41.582 1.00 0.00 N ATOM 919 CA LEU B 174 61.335 62.091 40.374 1.00 0.00 C ATOM 920 C LEU B 174 62.321 61.964 39.191 1.00 0.00 C ATOM 921 O LEU B 174 61.909 61.804 38.047 1.00 0.00 O ATOM 922 CB LEU B 174 61.054 63.570 40.667 1.00 0.00 C ATOM 923 CG LEU B 174 59.590 63.767 41.075 1.00 0.00 C ATOM 924 CD1 LEU B 174 59.361 63.566 42.577 1.00 0.00 C ATOM 925 CD2 LEU B 174 59.100 65.134 40.611 1.00 0.00 C ATOM 0 H LEU B 174 61.898 61.939 42.397 1.00 0.00 H new ATOM 0 HA LEU B 174 60.408 61.610 40.063 1.00 0.00 H new ATOM 0 HB2 LEU B 174 61.710 63.920 41.464 1.00 0.00 H new ATOM 0 HB3 LEU B 174 61.276 64.170 39.785 1.00 0.00 H new ATOM 0 HG LEU B 174 59.003 62.995 40.579 1.00 0.00 H new ATOM 0 HD11 LEU B 174 58.307 63.718 42.808 1.00 0.00 H new ATOM 0 HD12 LEU B 174 59.651 62.553 42.857 1.00 0.00 H new ATOM 0 HD13 LEU B 174 59.962 64.283 43.136 1.00 0.00 H new ATOM 0 HD21 LEU B 174 58.059 65.266 40.905 1.00 0.00 H new ATOM 0 HD22 LEU B 174 59.708 65.914 41.070 1.00 0.00 H new ATOM 0 HD23 LEU B 174 59.182 65.201 39.526 1.00 0.00 H new ATOM 931 N LEU B 175 63.615 61.988 39.501 1.00 0.00 N ATOM 932 CA LEU B 175 64.671 61.786 38.491 1.00 0.00 C ATOM 933 C LEU B 175 64.866 60.326 38.047 1.00 0.00 C ATOM 934 O LEU B 175 65.314 60.103 36.927 1.00 0.00 O ATOM 935 CB LEU B 175 65.981 62.443 38.920 1.00 0.00 C ATOM 936 CG LEU B 175 65.862 63.969 38.857 1.00 0.00 C ATOM 937 CD1 LEU B 175 67.054 64.591 39.549 1.00 0.00 C ATOM 938 CD2 LEU B 175 65.788 64.483 37.416 1.00 0.00 C ATOM 0 H LEU B 175 63.967 62.145 40.445 1.00 0.00 H new ATOM 0 HA LEU B 175 64.315 62.292 37.594 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.235 62.134 39.934 1.00 0.00 H new ATOM 0 HB3 LEU B 175 66.792 62.109 38.272 1.00 0.00 H new ATOM 0 HG LEU B 175 64.936 64.251 39.358 1.00 0.00 H new ATOM 0 HD11 LEU B 175 66.973 65.677 39.507 1.00 0.00 H new ATOM 0 HD12 LEU B 175 67.079 64.269 40.590 1.00 0.00 H new ATOM 0 HD13 LEU B 175 67.970 64.275 39.050 1.00 0.00 H new ATOM 0 HD21 LEU B 175 65.704 65.570 37.421 1.00 0.00 H new ATOM 0 HD22 LEU B 175 66.690 64.191 36.879 1.00 0.00 H new ATOM 0 HD23 LEU B 175 64.916 64.054 36.921 1.00 0.00 H new ATOM 944 N ALA B 176 64.511 59.372 38.904 1.00 0.00 N ATOM 945 CA ALA B 176 64.344 57.952 38.511 1.00 0.00 C ATOM 946 C ALA B 176 63.240 57.792 37.445 1.00 0.00 C ATOM 947 O ALA B 176 63.471 57.132 36.432 1.00 0.00 O ATOM 948 CB ALA B 176 64.030 57.105 39.745 1.00 0.00 C ATOM 0 H ALA B 176 64.328 59.548 39.892 1.00 0.00 H new ATOM 0 HA ALA B 176 65.279 57.605 38.070 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.908 56.063 39.450 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.849 57.186 40.460 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.109 57.461 40.206 1.00 0.00 H new ATOM 954 N ILE B 177 62.127 58.504 37.638 1.00 0.00 N ATOM 955 CA ILE B 177 61.077 58.646 36.599 1.00 0.00 C ATOM 956 C ILE B 177 61.696 59.281 35.340 1.00 0.00 C ATOM 957 O ILE B 177 61.693 58.662 34.282 1.00 0.00 O ATOM 958 CB ILE B 177 59.845 59.442 37.070 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.283 58.897 38.397 1.00 0.00 C ATOM 960 CG2 ILE B 177 58.749 59.402 35.994 1.00 0.00 C ATOM 961 CD1 ILE B 177 58.344 59.867 39.116 1.00 0.00 C ATOM 0 H ILE B 177 61.919 58.998 38.506 1.00 0.00 H new ATOM 0 HA ILE B 177 60.705 57.646 36.373 1.00 0.00 H new ATOM 0 HB ILE B 177 60.164 60.471 37.236 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.748 57.968 38.200 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.114 58.652 39.059 1.00 0.00 H new ATOM 0 HG21 ILE B 177 57.882 59.967 36.336 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.128 59.842 35.072 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.458 58.368 35.810 1.00 0.00 H new ATOM 0 HD11 ILE B 177 57.990 59.412 40.041 1.00 0.00 H new ATOM 0 HD12 ILE B 177 58.879 60.788 39.346 1.00 0.00 H new ATOM 0 HD13 ILE B 177 57.493 60.093 38.474 1.00 0.00 H new ATOM 965 N GLY B 178 62.329 60.445 35.500 1.00 0.00 N ATOM 966 CA GLY B 178 63.083 61.163 34.439 1.00 0.00 C ATOM 967 C GLY B 178 63.988 60.238 33.597 1.00 0.00 C ATOM 968 O GLY B 178 63.778 60.063 32.397 1.00 0.00 O ATOM 0 H GLY B 178 62.339 60.939 36.393 1.00 0.00 H new ATOM 0 HA2 GLY B 178 62.377 61.667 33.779 1.00 0.00 H new ATOM 0 HA3 GLY B 178 63.696 61.937 34.900 1.00 0.00 H new ATOM 972 N LEU B 179 64.936 59.607 34.265 1.00 0.00 N ATOM 973 CA LEU B 179 65.886 58.630 33.679 1.00 0.00 C ATOM 974 C LEU B 179 65.163 57.469 32.970 1.00 0.00 C ATOM 975 O LEU B 179 65.517 57.119 31.836 1.00 0.00 O ATOM 976 CB LEU B 179 66.796 58.133 34.808 1.00 0.00 C ATOM 977 CG LEU B 179 68.091 57.475 34.326 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.986 58.457 33.559 1.00 0.00 C ATOM 979 CD2 LEU B 179 68.844 56.928 35.532 1.00 0.00 C ATOM 0 H LEU B 179 65.086 59.753 35.263 1.00 0.00 H new ATOM 0 HA LEU B 179 66.481 59.114 32.905 1.00 0.00 H new ATOM 0 HB2 LEU B 179 67.048 58.974 35.454 1.00 0.00 H new ATOM 0 HB3 LEU B 179 66.243 57.418 35.417 1.00 0.00 H new ATOM 0 HG LEU B 179 67.829 56.670 33.639 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.893 57.946 33.236 1.00 0.00 H new ATOM 0 HD12 LEU B 179 68.451 58.832 32.687 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.251 59.291 34.208 1.00 0.00 H new ATOM 0 HD21 LEU B 179 69.769 56.457 35.200 1.00 0.00 H new ATOM 0 HD22 LEU B 179 69.078 57.744 36.216 1.00 0.00 H new ATOM 0 HD23 LEU B 179 68.225 56.191 36.044 1.00 0.00 H new ATOM 985 N GLY B 180 64.096 56.971 33.604 1.00 0.00 N ATOM 986 CA GLY B 180 63.163 55.986 33.021 1.00 0.00 C ATOM 987 C GLY B 180 62.540 56.459 31.699 1.00 0.00 C ATOM 988 O GLY B 180 62.559 55.720 30.716 1.00 0.00 O ATOM 0 H GLY B 180 63.847 57.243 34.555 1.00 0.00 H new ATOM 0 HA2 GLY B 180 63.692 55.048 32.852 1.00 0.00 H new ATOM 0 HA3 GLY B 180 62.368 55.779 33.737 1.00 0.00 H new ATOM 992 N ILE B 181 62.019 57.684 31.674 1.00 0.00 N ATOM 993 CA ILE B 181 61.454 58.326 30.459 1.00 0.00 C ATOM 994 C ILE B 181 62.510 58.397 29.336 1.00 0.00 C ATOM 995 O ILE B 181 62.195 58.125 28.181 1.00 0.00 O ATOM 996 CB ILE B 181 60.878 59.721 30.768 1.00 0.00 C ATOM 997 CG1 ILE B 181 59.849 59.654 31.916 1.00 0.00 C ATOM 998 CG2 ILE B 181 60.192 60.315 29.522 1.00 0.00 C ATOM 999 CD1 ILE B 181 59.654 60.997 32.635 1.00 0.00 C ATOM 0 H ILE B 181 61.970 58.278 32.502 1.00 0.00 H new ATOM 0 HA ILE B 181 60.628 57.705 30.112 1.00 0.00 H new ATOM 0 HB ILE B 181 61.711 60.357 31.067 1.00 0.00 H new ATOM 0 HG12 ILE B 181 58.891 59.321 31.517 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.171 58.905 32.640 1.00 0.00 H new ATOM 0 HG21 ILE B 181 59.792 61.300 29.762 1.00 0.00 H new ATOM 0 HG22 ILE B 181 60.919 60.405 28.715 1.00 0.00 H new ATOM 0 HG23 ILE B 181 59.379 59.660 29.207 1.00 0.00 H new ATOM 0 HD11 ILE B 181 58.918 60.880 33.431 1.00 0.00 H new ATOM 0 HD12 ILE B 181 60.602 61.322 33.063 1.00 0.00 H new ATOM 0 HD13 ILE B 181 59.303 61.743 31.923 1.00 0.00 H new ATOM 1003 N TYR B 182 63.757 58.744 29.689 1.00 0.00 N ATOM 1004 CA TYR B 182 64.895 58.701 28.743 1.00 0.00 C ATOM 1005 C TYR B 182 65.089 57.319 28.102 1.00 0.00 C ATOM 1006 O TYR B 182 65.235 57.209 26.888 1.00 0.00 O ATOM 1007 CB TYR B 182 66.173 59.180 29.461 1.00 0.00 C ATOM 1008 CG TYR B 182 67.417 59.105 28.613 1.00 0.00 C ATOM 1009 CD1 TYR B 182 67.643 60.051 27.545 1.00 0.00 C ATOM 1010 CD2 TYR B 182 68.411 58.109 28.886 1.00 0.00 C ATOM 1011 CE1 TYR B 182 68.798 59.980 26.806 1.00 0.00 C ATOM 1012 CE2 TYR B 182 69.564 58.053 28.155 1.00 0.00 C ATOM 1013 CZ TYR B 182 69.783 58.989 27.079 1.00 0.00 C ATOM 1014 OH TYR B 182 70.812 58.849 26.260 1.00 0.00 O ATOM 0 H TYR B 182 64.009 59.060 30.626 1.00 0.00 H new ATOM 0 HA TYR B 182 64.671 59.375 27.916 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.030 60.210 29.787 1.00 0.00 H new ATOM 0 HB3 TYR B 182 66.320 58.579 30.358 1.00 0.00 H new ATOM 0 HD1 TYR B 182 66.907 60.811 27.329 1.00 0.00 H new ATOM 0 HD2 TYR B 182 68.247 57.394 29.679 1.00 0.00 H new ATOM 0 HE1 TYR B 182 68.962 60.686 26.006 1.00 0.00 H new ATOM 0 HE2 TYR B 182 70.312 57.308 28.383 1.00 0.00 H new ATOM 0 HH TYR B 182 71.394 58.131 26.586 1.00 0.00 H new ATOM 1019 N ILE B 183 65.058 56.270 28.933 1.00 0.00 N ATOM 1020 CA ILE B 183 65.070 54.856 28.475 1.00 0.00 C ATOM 1021 C ILE B 183 63.869 54.596 27.545 1.00 0.00 C ATOM 1022 O ILE B 183 64.065 54.102 26.431 1.00 0.00 O ATOM 1023 CB ILE B 183 65.102 53.891 29.683 1.00 0.00 C ATOM 1024 CG1 ILE B 183 66.291 54.214 30.606 1.00 0.00 C ATOM 1025 CG2 ILE B 183 65.188 52.425 29.219 1.00 0.00 C ATOM 1026 CD1 ILE B 183 66.042 53.778 32.054 1.00 0.00 C ATOM 0 H ILE B 183 65.024 56.368 29.948 1.00 0.00 H new ATOM 0 HA ILE B 183 65.977 54.668 27.900 1.00 0.00 H new ATOM 0 HB ILE B 183 64.174 54.027 30.238 1.00 0.00 H new ATOM 0 HG12 ILE B 183 67.185 53.718 30.229 1.00 0.00 H new ATOM 0 HG13 ILE B 183 66.486 55.286 30.581 1.00 0.00 H new ATOM 0 HG21 ILE B 183 65.209 51.769 30.089 1.00 0.00 H new ATOM 0 HG22 ILE B 183 64.320 52.186 28.605 1.00 0.00 H new ATOM 0 HG23 ILE B 183 66.096 52.281 28.634 1.00 0.00 H new ATOM 0 HD11 ILE B 183 66.910 54.028 32.664 1.00 0.00 H new ATOM 0 HD12 ILE B 183 65.164 54.294 32.443 1.00 0.00 H new ATOM 0 HD13 ILE B 183 65.874 52.701 32.086 1.00 0.00 H new