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= 1.34 K(o=3.3,f=-6.3!) USER MOD Set 1.2: B 172 SER OG : rot -25:sc= 1.95 USER MOD Set 2.1: A 172 SER OG : rot -61:sc= 2.23 USER MOD Set 2.2: B 173 HIS : no HD1:sc= 0.638 K(o=2.9,f=-6.3!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 21:sc= 0.378 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 65.081 50.062 53.993 1.00 0.00 N ATOM 261 CA LEU A 166 66.041 49.564 52.988 1.00 0.00 C ATOM 262 C LEU A 166 65.428 48.719 51.853 1.00 0.00 C ATOM 263 O LEU A 166 65.606 49.127 50.704 1.00 0.00 O ATOM 264 CB LEU A 166 67.276 48.928 53.651 1.00 0.00 C ATOM 265 CG LEU A 166 68.461 48.865 52.683 1.00 0.00 C ATOM 266 CD1 LEU A 166 69.048 50.261 52.410 1.00 0.00 C ATOM 267 CD2 LEU A 166 69.552 47.926 53.214 1.00 0.00 C ATOM 0 HA LEU A 166 66.389 50.449 52.455 1.00 0.00 H new ATOM 0 HB2 LEU A 166 67.555 49.505 54.533 1.00 0.00 H new ATOM 0 HB3 LEU A 166 67.030 47.923 53.993 1.00 0.00 H new ATOM 0 HG LEU A 166 68.085 48.469 51.740 1.00 0.00 H new ATOM 0 HD11 LEU A 166 69.887 50.174 51.719 1.00 0.00 H new ATOM 0 HD12 LEU A 166 68.281 50.899 51.971 1.00 0.00 H new ATOM 0 HD13 LEU A 166 69.393 50.700 53.346 1.00 0.00 H new ATOM 0 HD21 LEU A 166 70.383 47.898 52.509 1.00 0.00 H new ATOM 0 HD22 LEU A 166 69.907 48.289 54.179 1.00 0.00 H new ATOM 0 HD23 LEU A 166 69.143 46.923 53.332 1.00 0.00 H new ATOM 273 N PRO A 167 64.589 47.680 52.107 1.00 0.00 N ATOM 274 CA PRO A 167 63.849 46.989 51.033 1.00 0.00 C ATOM 275 C PRO A 167 62.915 47.926 50.258 1.00 0.00 C ATOM 276 O PRO A 167 62.957 47.970 49.033 1.00 0.00 O ATOM 277 CB PRO A 167 63.102 45.838 51.709 1.00 0.00 C ATOM 278 CG PRO A 167 63.044 46.232 53.181 1.00 0.00 C ATOM 279 CD PRO A 167 64.332 47.022 53.403 1.00 0.00 C ATOM 0 HA PRO A 167 64.533 46.614 50.271 1.00 0.00 H new ATOM 0 HB2 PRO A 167 62.103 45.714 51.292 1.00 0.00 H new ATOM 0 HB3 PRO A 167 63.624 44.891 51.572 1.00 0.00 H new ATOM 0 HG2 PRO A 167 62.163 46.836 53.398 1.00 0.00 H new ATOM 0 HG3 PRO A 167 62.997 45.356 53.827 1.00 0.00 H new ATOM 0 HD2 PRO A 167 64.217 47.753 54.203 1.00 0.00 H new ATOM 0 HD3 PRO A 167 65.156 46.367 53.686 1.00 0.00 H new ATOM 285 N SER A 168 62.205 48.766 51.003 1.00 0.00 N ATOM 286 CA SER A 168 61.273 49.782 50.460 1.00 0.00 C ATOM 287 C SER A 168 61.971 50.778 49.508 1.00 0.00 C ATOM 288 O SER A 168 61.616 50.841 48.332 1.00 0.00 O ATOM 289 CB SER A 168 60.588 50.510 51.619 1.00 0.00 C ATOM 290 OG SER A 168 59.514 51.330 51.159 1.00 0.00 O ATOM 0 H SER A 168 62.253 48.770 52.022 1.00 0.00 H new ATOM 0 HA SER A 168 60.523 49.267 49.859 1.00 0.00 H new ATOM 0 HB2 SER A 168 60.210 49.781 52.335 1.00 0.00 H new ATOM 0 HB3 SER A 168 61.317 51.125 52.146 1.00 0.00 H new ATOM 0 HG SER A 168 59.096 51.780 51.923 1.00 0.00 H new ATOM 296 N LEU A 169 63.071 51.377 49.959 1.00 0.00 N ATOM 297 CA LEU A 169 63.909 52.352 49.225 1.00 0.00 C ATOM 298 C LEU A 169 64.369 51.793 47.869 1.00 0.00 C ATOM 299 O LEU A 169 63.830 52.213 46.839 1.00 0.00 O ATOM 300 CB LEU A 169 65.112 52.747 50.098 1.00 0.00 C ATOM 301 CG LEU A 169 65.804 54.023 49.602 1.00 0.00 C ATOM 302 CD1 LEU A 169 64.960 55.255 49.902 1.00 0.00 C ATOM 303 CD2 LEU A 169 67.187 54.148 50.233 1.00 0.00 C ATOM 0 H LEU A 169 63.430 51.193 50.896 1.00 0.00 H new ATOM 0 HA LEU A 169 63.312 53.239 49.015 1.00 0.00 H new ATOM 0 HB2 LEU A 169 64.779 52.894 51.125 1.00 0.00 H new ATOM 0 HB3 LEU A 169 65.832 51.929 50.111 1.00 0.00 H new ATOM 0 HG LEU A 169 65.918 53.955 48.520 1.00 0.00 H new ATOM 0 HD11 LEU A 169 65.474 56.145 49.540 1.00 0.00 H new ATOM 0 HD12 LEU A 169 63.995 55.165 49.403 1.00 0.00 H new ATOM 0 HD13 LEU A 169 64.806 55.337 50.978 1.00 0.00 H new ATOM 0 HD21 LEU A 169 67.670 55.057 49.874 1.00 0.00 H new ATOM 0 HD22 LEU A 169 67.089 54.193 51.318 1.00 0.00 H new ATOM 0 HD23 LEU A 169 67.792 53.284 49.959 1.00 0.00 H new ATOM 309 N LEU A 170 65.048 50.648 47.930 1.00 0.00 N ATOM 310 CA LEU A 170 65.509 49.862 46.760 1.00 0.00 C ATOM 311 C LEU A 170 64.432 49.675 45.678 1.00 0.00 C ATOM 312 O LEU A 170 64.475 50.306 44.625 1.00 0.00 O ATOM 313 CB LEU A 170 66.006 48.498 47.276 1.00 0.00 C ATOM 314 CG LEU A 170 67.507 48.424 47.586 1.00 0.00 C ATOM 315 CD1 LEU A 170 68.011 49.474 48.584 1.00 0.00 C ATOM 316 CD2 LEU A 170 67.799 47.029 48.145 1.00 0.00 C ATOM 0 H LEU A 170 65.306 50.219 48.818 1.00 0.00 H new ATOM 0 HA LEU A 170 66.310 50.417 46.271 1.00 0.00 H new ATOM 0 HB2 LEU A 170 65.452 48.246 48.180 1.00 0.00 H new ATOM 0 HB3 LEU A 170 65.767 47.737 46.533 1.00 0.00 H new ATOM 0 HG LEU A 170 68.033 48.628 46.653 1.00 0.00 H new ATOM 0 HD11 LEU A 170 69.082 49.343 48.740 1.00 0.00 H new ATOM 0 HD12 LEU A 170 67.821 50.472 48.189 1.00 0.00 H new ATOM 0 HD13 LEU A 170 67.489 49.354 49.533 1.00 0.00 H new ATOM 0 HD21 LEU A 170 68.861 46.945 48.376 1.00 0.00 H new ATOM 0 HD22 LEU A 170 67.217 46.872 49.053 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.528 46.276 47.405 1.00 0.00 H new ATOM 322 N LEU A 171 63.351 49.007 46.076 1.00 0.00 N ATOM 323 CA LEU A 171 62.224 48.703 45.174 1.00 0.00 C ATOM 324 C LEU A 171 61.457 49.964 44.710 1.00 0.00 C ATOM 325 O LEU A 171 61.080 50.044 43.545 1.00 0.00 O ATOM 326 CB LEU A 171 61.305 47.668 45.834 1.00 0.00 C ATOM 327 CG LEU A 171 60.268 47.061 44.876 1.00 0.00 C ATOM 328 CD1 LEU A 171 60.920 46.290 43.714 1.00 0.00 C ATOM 329 CD2 LEU A 171 59.332 46.139 45.648 1.00 0.00 C ATOM 0 H LEU A 171 63.225 48.659 47.027 1.00 0.00 H new ATOM 0 HA LEU A 171 62.633 48.276 44.258 1.00 0.00 H new ATOM 0 HB2 LEU A 171 61.915 46.866 46.250 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.784 48.138 46.669 1.00 0.00 H new ATOM 0 HG LEU A 171 59.706 47.887 44.440 1.00 0.00 H new ATOM 0 HD11 LEU A 171 60.143 45.882 43.067 1.00 0.00 H new ATOM 0 HD12 LEU A 171 61.553 46.966 43.139 1.00 0.00 H new ATOM 0 HD13 LEU A 171 61.526 45.476 44.112 1.00 0.00 H new ATOM 0 HD21 LEU A 171 58.598 45.711 44.965 1.00 0.00 H new ATOM 0 HD22 LEU A 171 59.909 45.338 46.109 1.00 0.00 H new ATOM 0 HD23 LEU A 171 58.818 46.708 46.423 1.00 0.00 H new ATOM 335 N SER A 172 61.326 50.969 45.572 1.00 0.00 N ATOM 336 CA SER A 172 60.683 52.260 45.232 1.00 0.00 C ATOM 337 C SER A 172 61.375 53.027 44.099 1.00 0.00 C ATOM 338 O SER A 172 60.687 53.539 43.225 1.00 0.00 O ATOM 339 CB SER A 172 60.503 53.171 46.446 1.00 0.00 C ATOM 340 OG SER A 172 61.726 53.772 46.880 1.00 0.00 O ATOM 0 H SER A 172 61.661 50.922 46.534 1.00 0.00 H new ATOM 0 HA SER A 172 59.698 51.971 44.866 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.786 53.955 46.202 1.00 0.00 H new ATOM 0 HB3 SER A 172 60.077 52.594 47.267 1.00 0.00 H new ATOM 0 HG SER A 172 62.362 53.072 47.136 1.00 0.00 H new ATOM 346 N HIS A 173 62.705 53.123 44.136 1.00 0.00 N ATOM 347 CA HIS A 173 63.482 53.697 43.025 1.00 0.00 C ATOM 348 C HIS A 173 63.280 52.927 41.709 1.00 0.00 C ATOM 349 O HIS A 173 62.868 53.531 40.719 1.00 0.00 O ATOM 350 CB HIS A 173 64.973 53.809 43.383 1.00 0.00 C ATOM 351 CG HIS A 173 65.173 54.913 44.411 1.00 0.00 C ATOM 352 ND1 HIS A 173 65.165 54.762 45.741 1.00 0.00 N ATOM 353 CD2 HIS A 173 65.264 56.217 44.153 1.00 0.00 C ATOM 354 CE1 HIS A 173 65.259 55.973 46.289 1.00 0.00 C ATOM 355 NE2 HIS A 173 65.302 56.862 45.306 1.00 0.00 N ATOM 0 H HIS A 173 63.272 52.811 44.924 1.00 0.00 H new ATOM 0 HA HIS A 173 63.099 54.705 42.863 1.00 0.00 H new ATOM 0 HB2 HIS A 173 65.334 52.860 43.780 1.00 0.00 H new ATOM 0 HB3 HIS A 173 65.557 54.023 42.488 1.00 0.00 H new ATOM 0 HD1 HIS A 173 65.099 53.878 46.245 1.00 0.00 H new ATOM 0 HD2 HIS A 173 65.300 56.668 43.172 1.00 0.00 H new ATOM 0 HE1 HIS A 173 65.294 56.192 47.346 1.00 0.00 H new ATOM 0 HE2 HIS A 173 65.355 57.874 45.421 1.00 0.00 H new ATOM 360 N LEU A 174 63.340 51.592 41.794 1.00 0.00 N ATOM 361 CA LEU A 174 63.006 50.703 40.664 1.00 0.00 C ATOM 362 C LEU A 174 61.587 50.957 40.121 1.00 0.00 C ATOM 363 O LEU A 174 61.397 51.095 38.910 1.00 0.00 O ATOM 364 CB LEU A 174 63.184 49.238 41.097 1.00 0.00 C ATOM 365 CG LEU A 174 63.182 48.295 39.888 1.00 0.00 C ATOM 366 CD1 LEU A 174 64.522 48.334 39.146 1.00 0.00 C ATOM 367 CD2 LEU A 174 62.812 46.877 40.310 1.00 0.00 C ATOM 0 H LEU A 174 63.619 51.096 42.640 1.00 0.00 H new ATOM 0 HA LEU A 174 63.690 50.922 39.844 1.00 0.00 H new ATOM 0 HB2 LEU A 174 64.121 49.130 41.644 1.00 0.00 H new ATOM 0 HB3 LEU A 174 62.382 48.959 41.780 1.00 0.00 H new ATOM 0 HG LEU A 174 62.421 48.643 39.190 1.00 0.00 H new ATOM 0 HD11 LEU A 174 64.486 47.654 38.295 1.00 0.00 H new ATOM 0 HD12 LEU A 174 64.713 49.347 38.793 1.00 0.00 H new ATOM 0 HD13 LEU A 174 65.321 48.028 39.821 1.00 0.00 H new ATOM 0 HD21 LEU A 174 62.817 46.225 39.437 1.00 0.00 H new ATOM 0 HD22 LEU A 174 63.537 46.513 41.038 1.00 0.00 H new ATOM 0 HD23 LEU A 174 61.818 46.878 40.757 1.00 0.00 H new ATOM 373 N LEU A 175 60.614 51.079 41.016 1.00 0.00 N ATOM 374 CA LEU A 175 59.224 51.433 40.662 1.00 0.00 C ATOM 375 C LEU A 175 59.038 52.844 40.076 1.00 0.00 C ATOM 376 O LEU A 175 58.255 53.019 39.142 1.00 0.00 O ATOM 377 CB LEU A 175 58.279 51.208 41.854 1.00 0.00 C ATOM 378 CG LEU A 175 58.065 49.709 42.116 1.00 0.00 C ATOM 379 CD1 LEU A 175 57.342 49.526 43.451 1.00 0.00 C ATOM 380 CD2 LEU A 175 57.235 49.049 41.011 1.00 0.00 C ATOM 0 H LEU A 175 60.757 50.937 42.016 1.00 0.00 H new ATOM 0 HA LEU A 175 58.961 50.754 39.851 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.693 51.680 42.745 1.00 0.00 H new ATOM 0 HB3 LEU A 175 57.320 51.686 41.657 1.00 0.00 H new ATOM 0 HG LEU A 175 59.045 49.233 42.137 1.00 0.00 H new ATOM 0 HD11 LEU A 175 57.189 48.463 43.639 1.00 0.00 H new ATOM 0 HD12 LEU A 175 57.944 49.953 44.253 1.00 0.00 H new ATOM 0 HD13 LEU A 175 56.377 50.031 43.414 1.00 0.00 H new ATOM 0 HD21 LEU A 175 57.107 47.990 41.235 1.00 0.00 H new ATOM 0 HD22 LEU A 175 56.258 49.528 40.955 1.00 0.00 H new ATOM 0 HD23 LEU A 175 57.748 49.158 40.056 1.00 0.00 H new ATOM 386 N ALA A 176 59.772 53.834 40.587 1.00 0.00 N ATOM 387 CA ALA A 176 59.835 55.180 39.996 1.00 0.00 C ATOM 388 C ALA A 176 60.366 55.146 38.549 1.00 0.00 C ATOM 389 O ALA A 176 59.727 55.676 37.639 1.00 0.00 O ATOM 390 CB ALA A 176 60.689 56.100 40.880 1.00 0.00 C ATOM 0 H ALA A 176 60.343 53.729 41.426 1.00 0.00 H new ATOM 0 HA ALA A 176 58.822 55.579 39.950 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.731 57.095 40.436 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.245 56.164 41.873 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.698 55.695 40.959 1.00 0.00 H new ATOM 396 N ILE A 177 61.435 54.384 38.352 1.00 0.00 N ATOM 397 CA ILE A 177 61.972 54.054 37.013 1.00 0.00 C ATOM 398 C ILE A 177 60.888 53.369 36.160 1.00 0.00 C ATOM 399 O ILE A 177 60.637 53.814 35.040 1.00 0.00 O ATOM 400 CB ILE A 177 63.266 53.197 37.119 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.337 53.934 37.930 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.833 52.866 35.732 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.415 53.024 38.519 1.00 0.00 C ATOM 0 H ILE A 177 61.967 53.968 39.116 1.00 0.00 H new ATOM 0 HA ILE A 177 62.253 54.980 36.511 1.00 0.00 H new ATOM 0 HB ILE A 177 62.997 52.269 37.623 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.814 54.676 37.290 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.853 54.477 38.742 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.737 52.266 35.842 1.00 0.00 H new ATOM 0 HG22 ILE A 177 63.093 52.306 35.161 1.00 0.00 H new ATOM 0 HG23 ILE A 177 64.073 53.791 35.207 1.00 0.00 H new ATOM 0 HD11 ILE A 177 66.133 53.625 39.077 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.953 52.297 39.187 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.929 52.500 37.713 1.00 0.00 H new ATOM 407 N GLY A 178 60.198 52.371 36.719 1.00 0.00 N ATOM 408 CA GLY A 178 59.049 51.692 36.100 1.00 0.00 C ATOM 409 C GLY A 178 57.945 52.646 35.610 1.00 0.00 C ATOM 410 O GLY A 178 57.544 52.613 34.448 1.00 0.00 O ATOM 0 H GLY A 178 60.427 52.000 37.641 1.00 0.00 H new ATOM 0 HA2 GLY A 178 59.402 51.099 35.257 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.620 50.997 36.821 1.00 0.00 H new ATOM 414 N LEU A 179 57.470 53.492 36.514 1.00 0.00 N ATOM 415 CA LEU A 179 56.524 54.597 36.225 1.00 0.00 C ATOM 416 C LEU A 179 56.988 55.456 35.043 1.00 0.00 C ATOM 417 O LEU A 179 56.268 55.618 34.057 1.00 0.00 O ATOM 418 CB LEU A 179 56.354 55.392 37.531 1.00 0.00 C ATOM 419 CG LEU A 179 55.587 56.713 37.421 1.00 0.00 C ATOM 420 CD1 LEU A 179 54.123 56.524 37.015 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.678 57.443 38.762 1.00 0.00 C ATOM 0 H LEU A 179 57.730 53.440 37.499 1.00 0.00 H new ATOM 0 HA LEU A 179 55.556 54.210 35.907 1.00 0.00 H new ATOM 0 HB2 LEU A 179 55.842 54.758 38.255 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.344 55.603 37.936 1.00 0.00 H new ATOM 0 HG LEU A 179 56.046 57.303 36.628 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.634 57.496 36.954 1.00 0.00 H new ATOM 0 HD12 LEU A 179 54.075 56.033 36.043 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.616 55.909 37.758 1.00 0.00 H new ATOM 0 HD21 LEU A 179 55.136 58.387 38.700 1.00 0.00 H new ATOM 0 HD22 LEU A 179 55.239 56.823 39.544 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.724 57.640 38.999 1.00 0.00 H new ATOM 427 N GLY A 180 58.261 55.871 35.114 1.00 0.00 N ATOM 428 CA GLY A 180 58.954 56.594 34.024 1.00 0.00 C ATOM 429 C GLY A 180 58.956 55.809 32.699 1.00 0.00 C ATOM 430 O GLY A 180 58.643 56.379 31.655 1.00 0.00 O ATOM 0 H GLY A 180 58.848 55.716 35.934 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.472 57.559 33.869 1.00 0.00 H new ATOM 0 HA3 GLY A 180 59.982 56.796 34.324 1.00 0.00 H new ATOM 434 N ILE A 181 59.346 54.536 32.761 1.00 0.00 N ATOM 435 CA ILE A 181 59.328 53.601 31.617 1.00 0.00 C ATOM 436 C ILE A 181 57.931 53.566 30.976 1.00 0.00 C ATOM 437 O ILE A 181 57.856 53.759 29.768 1.00 0.00 O ATOM 438 CB ILE A 181 59.890 52.221 32.008 1.00 0.00 C ATOM 439 CG1 ILE A 181 61.416 52.354 32.204 1.00 0.00 C ATOM 440 CG2 ILE A 181 59.574 51.115 30.984 1.00 0.00 C ATOM 441 CD1 ILE A 181 62.053 51.190 32.977 1.00 0.00 C ATOM 0 H ILE A 181 59.691 54.110 33.621 1.00 0.00 H new ATOM 0 HA ILE A 181 60.003 53.964 30.841 1.00 0.00 H new ATOM 0 HB ILE A 181 59.402 51.913 32.933 1.00 0.00 H new ATOM 0 HG12 ILE A 181 61.892 52.430 31.226 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.624 53.284 32.733 1.00 0.00 H new ATOM 0 HG21 ILE A 181 60.000 50.171 31.324 1.00 0.00 H new ATOM 0 HG22 ILE A 181 58.494 51.010 30.884 1.00 0.00 H new ATOM 0 HG23 ILE A 181 60.004 51.380 30.018 1.00 0.00 H new ATOM 0 HD11 ILE A 181 63.126 51.360 33.072 1.00 0.00 H new ATOM 0 HD12 ILE A 181 61.607 51.125 33.969 1.00 0.00 H new ATOM 0 HD13 ILE A 181 61.879 50.258 32.439 1.00 0.00 H new ATOM 445 N TYR A 182 56.875 53.444 31.785 1.00 0.00 N ATOM 446 CA TYR A 182 55.492 53.503 31.274 1.00 0.00 C ATOM 447 C TYR A 182 55.231 54.781 30.455 1.00 0.00 C ATOM 448 O TYR A 182 54.965 54.676 29.261 1.00 0.00 O ATOM 449 CB TYR A 182 54.434 53.346 32.389 1.00 0.00 C ATOM 450 CG TYR A 182 53.018 53.324 31.843 1.00 0.00 C ATOM 451 CD1 TYR A 182 52.655 52.404 30.812 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.121 54.394 32.156 1.00 0.00 C ATOM 453 CE1 TYR A 182 51.491 52.563 30.102 1.00 0.00 C ATOM 454 CE2 TYR A 182 50.947 54.550 31.448 1.00 0.00 C ATOM 455 CZ TYR A 182 50.607 53.644 30.398 1.00 0.00 C ATOM 456 OH TYR A 182 49.505 53.840 29.675 1.00 0.00 O ATOM 0 H TYR A 182 56.945 53.304 32.793 1.00 0.00 H new ATOM 0 HA TYR A 182 55.389 52.647 30.607 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.623 52.424 32.939 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.534 54.167 33.099 1.00 0.00 H new ATOM 0 HD1 TYR A 182 53.306 51.572 30.588 1.00 0.00 H new ATOM 0 HD2 TYR A 182 52.364 55.083 32.951 1.00 0.00 H new ATOM 0 HE1 TYR A 182 51.243 51.866 29.315 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.280 55.364 31.690 1.00 0.00 H new ATOM 0 HH TYR A 182 49.023 54.621 30.019 1.00 0.00 H new ATOM 461 N ILE A 183 55.524 55.935 31.059 1.00 0.00 N ATOM 462 CA ILE A 183 55.454 57.271 30.405 1.00 0.00 C ATOM 463 C ILE A 183 56.241 57.282 29.070 1.00 0.00 C ATOM 464 O ILE A 183 55.665 57.527 28.021 1.00 0.00 O ATOM 465 CB ILE A 183 55.954 58.359 31.383 1.00 0.00 C ATOM 466 CG1 ILE A 183 55.106 58.361 32.664 1.00 0.00 C ATOM 467 CG2 ILE A 183 55.957 59.749 30.731 1.00 0.00 C ATOM 468 CD1 ILE A 183 55.797 59.040 33.857 1.00 0.00 C ATOM 0 H ILE A 183 55.823 55.983 32.033 1.00 0.00 H new ATOM 0 HA ILE A 183 54.416 57.491 30.156 1.00 0.00 H new ATOM 0 HB ILE A 183 56.984 58.120 31.647 1.00 0.00 H new ATOM 0 HG12 ILE A 183 54.162 58.868 32.464 1.00 0.00 H new ATOM 0 HG13 ILE A 183 54.865 57.332 32.932 1.00 0.00 H new ATOM 0 HG21 ILE A 183 56.314 60.487 31.449 1.00 0.00 H new ATOM 0 HG22 ILE A 183 56.614 59.741 29.861 1.00 0.00 H new ATOM 0 HG23 ILE A 183 54.945 60.007 30.419 1.00 0.00 H new ATOM 0 HD11 ILE A 183 55.140 59.004 34.726 1.00 0.00 H new ATOM 0 HD12 ILE A 183 56.727 58.519 34.083 1.00 0.00 H new ATOM 0 HD13 ILE A 183 56.014 60.079 33.609 1.00 0.00 H new ATOM 472 N GLY A 184 57.527 56.931 29.171 1.00 0.00 N ATOM 473 CA GLY A 184 58.466 56.846 28.031 1.00 0.00 C ATOM 474 C GLY A 184 57.949 55.984 26.880 1.00 0.00 C ATOM 475 O GLY A 184 57.809 56.450 25.752 1.00 0.00 O ATOM 0 H GLY A 184 57.960 56.692 30.063 1.00 0.00 H new ATOM 0 HA2 GLY A 184 58.667 57.851 27.660 1.00 0.00 H new ATOM 0 HA3 GLY A 184 59.415 56.440 28.381 1.00 0.00 H new ATOM 479 N ARG A 185 57.612 54.741 27.227 1.00 0.00 N ATOM 480 CA ARG A 185 56.925 53.769 26.364 1.00 0.00 C ATOM 481 C ARG A 185 55.705 54.392 25.670 1.00 0.00 C ATOM 482 O ARG A 185 55.729 54.628 24.472 1.00 0.00 O ATOM 483 CB ARG A 185 56.567 52.549 27.228 1.00 0.00 C ATOM 484 CG ARG A 185 55.752 51.454 26.530 1.00 0.00 C ATOM 485 CD ARG A 185 54.258 51.497 26.904 1.00 0.00 C ATOM 486 NE ARG A 185 53.610 50.462 26.091 1.00 0.00 N ATOM 487 CZ ARG A 185 52.476 50.587 25.383 1.00 0.00 C ATOM 488 NH1 ARG A 185 51.411 51.273 25.832 1.00 0.00 N ATOM 489 NH2 ARG A 185 52.226 49.669 24.453 1.00 0.00 N ATOM 0 H ARG A 185 57.817 54.365 28.153 1.00 0.00 H new ATOM 0 HA ARG A 185 57.578 53.451 25.551 1.00 0.00 H new ATOM 0 HB2 ARG A 185 57.491 52.107 27.600 1.00 0.00 H new ATOM 0 HB3 ARG A 185 56.007 52.894 28.097 1.00 0.00 H new ATOM 0 HG2 ARG A 185 55.856 51.562 25.450 1.00 0.00 H new ATOM 0 HG3 ARG A 185 56.161 50.478 26.794 1.00 0.00 H new ATOM 0 HD2 ARG A 185 54.116 51.304 27.967 1.00 0.00 H new ATOM 0 HD3 ARG A 185 53.832 52.479 26.698 1.00 0.00 H new ATOM 0 HE ARG A 185 54.069 49.552 26.060 1.00 0.00 H new ATOM 0 HH11 ARG A 185 51.444 51.725 26.746 1.00 0.00 H new ATOM 0 HH12 ARG A 185 50.570 51.341 25.259 1.00 0.00 H new ATOM 0 HH21 ARG A 185 52.885 48.906 24.299 1.00 0.00 H new ATOM 0 HH22 ARG A 185 51.375 49.728 23.894 1.00 0.00 H new ATOM 802 N PHE B 165 66.478 63.980 54.827 1.00 0.00 N ATOM 803 CA PHE B 165 65.914 62.844 54.075 1.00 0.00 C ATOM 804 C PHE B 165 64.903 63.248 52.982 1.00 0.00 C ATOM 805 O PHE B 165 65.007 62.787 51.845 1.00 0.00 O ATOM 806 CB PHE B 165 65.253 61.865 55.057 1.00 0.00 C ATOM 807 CG PHE B 165 66.173 60.890 55.824 1.00 0.00 C ATOM 808 CD1 PHE B 165 67.373 61.303 56.471 1.00 0.00 C ATOM 809 CD2 PHE B 165 65.718 59.555 55.936 1.00 0.00 C ATOM 810 CE1 PHE B 165 68.113 60.357 57.227 1.00 0.00 C ATOM 811 CE2 PHE B 165 66.464 58.620 56.687 1.00 0.00 C ATOM 812 CZ PHE B 165 67.653 59.028 57.327 1.00 0.00 C ATOM 0 HA PHE B 165 66.748 62.376 53.552 1.00 0.00 H new ATOM 0 HB2 PHE B 165 64.697 62.449 55.790 1.00 0.00 H new ATOM 0 HB3 PHE B 165 64.525 61.273 54.502 1.00 0.00 H new ATOM 0 HD1 PHE B 165 67.716 62.324 56.387 1.00 0.00 H new ATOM 0 HD2 PHE B 165 64.803 59.252 55.449 1.00 0.00 H new ATOM 0 HE1 PHE B 165 69.025 60.654 57.724 1.00 0.00 H new ATOM 0 HE2 PHE B 165 66.126 57.598 56.771 1.00 0.00 H new ATOM 0 HZ PHE B 165 68.220 58.311 57.903 1.00 0.00 H new ATOM 818 N LEU B 166 63.970 64.141 53.317 1.00 0.00 N ATOM 819 CA LEU B 166 62.878 64.570 52.414 1.00 0.00 C ATOM 820 C LEU B 166 63.267 65.006 50.979 1.00 0.00 C ATOM 821 O LEU B 166 62.834 64.291 50.067 1.00 0.00 O ATOM 822 CB LEU B 166 61.925 65.549 53.100 1.00 0.00 C ATOM 823 CG LEU B 166 60.629 64.871 53.558 1.00 0.00 C ATOM 824 CD1 LEU B 166 59.832 65.829 54.438 1.00 0.00 C ATOM 825 CD2 LEU B 166 59.763 64.469 52.361 1.00 0.00 C ATOM 0 H LEU B 166 63.943 64.596 54.229 1.00 0.00 H new ATOM 0 HA LEU B 166 62.341 63.641 52.219 1.00 0.00 H new ATOM 0 HB2 LEU B 166 62.423 65.995 53.961 1.00 0.00 H new ATOM 0 HB3 LEU B 166 61.685 66.361 52.414 1.00 0.00 H new ATOM 0 HG LEU B 166 60.898 63.975 54.117 1.00 0.00 H new ATOM 0 HD11 LEU B 166 58.911 65.344 54.762 1.00 0.00 H new ATOM 0 HD12 LEU B 166 60.426 66.101 55.311 1.00 0.00 H new ATOM 0 HD13 LEU B 166 59.589 66.727 53.871 1.00 0.00 H new ATOM 0 HD21 LEU B 166 58.850 63.990 52.717 1.00 0.00 H new ATOM 0 HD22 LEU B 166 59.506 65.357 51.783 1.00 0.00 H new ATOM 0 HD23 LEU B 166 60.315 63.773 51.730 1.00 0.00 H new ATOM 831 N PRO B 167 64.087 66.040 50.731 1.00 0.00 N ATOM 832 CA PRO B 167 64.451 66.482 49.363 1.00 0.00 C ATOM 833 C PRO B 167 65.160 65.361 48.598 1.00 0.00 C ATOM 834 O PRO B 167 64.594 64.872 47.634 1.00 0.00 O ATOM 835 CB PRO B 167 65.374 67.692 49.521 1.00 0.00 C ATOM 836 CG PRO B 167 64.993 68.215 50.902 1.00 0.00 C ATOM 837 CD PRO B 167 64.726 66.946 51.706 1.00 0.00 C ATOM 0 HA PRO B 167 63.560 66.742 48.792 1.00 0.00 H new ATOM 0 HB2 PRO B 167 66.426 67.410 49.469 1.00 0.00 H new ATOM 0 HB3 PRO B 167 65.205 68.437 48.743 1.00 0.00 H new ATOM 0 HG2 PRO B 167 65.796 68.807 51.342 1.00 0.00 H new ATOM 0 HG3 PRO B 167 64.112 68.855 50.859 1.00 0.00 H new ATOM 0 HD2 PRO B 167 65.649 66.521 52.102 1.00 0.00 H new ATOM 0 HD3 PRO B 167 64.074 67.141 52.557 1.00 0.00 H new ATOM 843 N SER B 168 66.215 64.805 49.183 1.00 0.00 N ATOM 844 CA SER B 168 66.989 63.693 48.581 1.00 0.00 C ATOM 845 C SER B 168 66.124 62.480 48.210 1.00 0.00 C ATOM 846 O SER B 168 66.243 61.955 47.109 1.00 0.00 O ATOM 847 CB SER B 168 68.138 63.305 49.493 1.00 0.00 C ATOM 848 OG SER B 168 67.697 63.210 50.848 1.00 0.00 O ATOM 0 H SER B 168 66.570 65.104 50.091 1.00 0.00 H new ATOM 0 HA SER B 168 67.394 64.058 47.637 1.00 0.00 H new ATOM 0 HB2 SER B 168 68.556 62.350 49.174 1.00 0.00 H new ATOM 0 HB3 SER B 168 68.936 64.044 49.416 1.00 0.00 H new ATOM 0 HG SER B 168 66.726 63.083 50.868 1.00 0.00 H new ATOM 854 N LEU B 169 65.213 62.078 49.104 1.00 0.00 N ATOM 855 CA LEU B 169 64.147 61.101 48.788 1.00 0.00 C ATOM 856 C LEU B 169 63.274 61.515 47.589 1.00 0.00 C ATOM 857 O LEU B 169 63.566 61.063 46.483 1.00 0.00 O ATOM 858 CB LEU B 169 63.325 60.787 50.041 1.00 0.00 C ATOM 859 CG LEU B 169 63.924 59.565 50.741 1.00 0.00 C ATOM 860 CD1 LEU B 169 63.892 59.731 52.258 1.00 0.00 C ATOM 861 CD2 LEU B 169 63.106 58.332 50.366 1.00 0.00 C ATOM 0 H LEU B 169 65.188 62.416 50.066 1.00 0.00 H new ATOM 0 HA LEU B 169 64.635 60.181 48.466 1.00 0.00 H new ATOM 0 HB2 LEU B 169 63.325 61.644 50.715 1.00 0.00 H new ATOM 0 HB3 LEU B 169 62.287 60.594 49.771 1.00 0.00 H new ATOM 0 HG LEU B 169 64.961 59.456 50.423 1.00 0.00 H new ATOM 0 HD11 LEU B 169 64.324 58.848 52.730 1.00 0.00 H new ATOM 0 HD12 LEU B 169 64.469 60.612 52.540 1.00 0.00 H new ATOM 0 HD13 LEU B 169 62.861 59.852 52.589 1.00 0.00 H new ATOM 0 HD21 LEU B 169 63.524 57.454 50.859 1.00 0.00 H new ATOM 0 HD22 LEU B 169 62.073 58.470 50.685 1.00 0.00 H new ATOM 0 HD23 LEU B 169 63.136 58.190 49.286 1.00 0.00 H new ATOM 867 N LEU B 170 62.491 62.586 47.739 1.00 0.00 N ATOM 868 CA LEU B 170 61.589 63.104 46.677 1.00 0.00 C ATOM 869 C LEU B 170 62.276 63.313 45.311 1.00 0.00 C ATOM 870 O LEU B 170 61.823 62.813 44.284 1.00 0.00 O ATOM 871 CB LEU B 170 60.922 64.415 47.108 1.00 0.00 C ATOM 872 CG LEU B 170 59.821 64.233 48.164 1.00 0.00 C ATOM 873 CD1 LEU B 170 59.323 65.607 48.606 1.00 0.00 C ATOM 874 CD2 LEU B 170 58.637 63.414 47.642 1.00 0.00 C ATOM 0 H LEU B 170 62.456 63.130 48.601 1.00 0.00 H new ATOM 0 HA LEU B 170 60.840 62.324 46.543 1.00 0.00 H new ATOM 0 HB2 LEU B 170 61.684 65.087 47.503 1.00 0.00 H new ATOM 0 HB3 LEU B 170 60.494 64.900 46.230 1.00 0.00 H new ATOM 0 HG LEU B 170 60.255 63.685 49.001 1.00 0.00 H new ATOM 0 HD11 LEU B 170 58.541 65.487 49.356 1.00 0.00 H new ATOM 0 HD12 LEU B 170 60.150 66.174 49.032 1.00 0.00 H new ATOM 0 HD13 LEU B 170 58.921 66.143 47.746 1.00 0.00 H new ATOM 0 HD21 LEU B 170 57.888 63.316 48.428 1.00 0.00 H new ATOM 0 HD22 LEU B 170 58.197 63.919 46.782 1.00 0.00 H new ATOM 0 HD23 LEU B 170 58.983 62.424 47.344 1.00 0.00 H new ATOM 880 N LEU B 171 63.408 64.009 45.349 1.00 0.00 N ATOM 881 CA LEU B 171 64.254 64.315 44.178 1.00 0.00 C ATOM 882 C LEU B 171 64.866 63.076 43.496 1.00 0.00 C ATOM 883 O LEU B 171 64.871 63.002 42.268 1.00 0.00 O ATOM 884 CB LEU B 171 65.367 65.294 44.546 1.00 0.00 C ATOM 885 CG LEU B 171 64.840 66.703 44.837 1.00 0.00 C ATOM 886 CD1 LEU B 171 65.928 67.509 45.542 1.00 0.00 C ATOM 887 CD2 LEU B 171 64.432 67.430 43.550 1.00 0.00 C ATOM 0 H LEU B 171 63.782 64.392 46.217 1.00 0.00 H new ATOM 0 HA LEU B 171 63.577 64.768 43.454 1.00 0.00 H new ATOM 0 HB2 LEU B 171 65.899 64.921 45.421 1.00 0.00 H new ATOM 0 HB3 LEU B 171 66.089 65.341 43.730 1.00 0.00 H new ATOM 0 HG LEU B 171 63.958 66.611 45.470 1.00 0.00 H new ATOM 0 HD11 LEU B 171 65.559 68.513 45.752 1.00 0.00 H new ATOM 0 HD12 LEU B 171 66.196 67.018 46.478 1.00 0.00 H new ATOM 0 HD13 LEU B 171 66.807 67.572 44.901 1.00 0.00 H new ATOM 0 HD21 LEU B 171 64.063 68.426 43.796 1.00 0.00 H new ATOM 0 HD22 LEU B 171 65.296 67.515 42.891 1.00 0.00 H new ATOM 0 HD23 LEU B 171 63.646 66.866 43.047 1.00 0.00 H new ATOM 893 N SER B 172 65.399 62.138 44.284 1.00 0.00 N ATOM 894 CA SER B 172 65.961 60.887 43.722 1.00 0.00 C ATOM 895 C SER B 172 64.908 60.062 42.973 1.00 0.00 C ATOM 896 O SER B 172 65.143 59.670 41.832 1.00 0.00 O ATOM 897 CB SER B 172 66.695 60.002 44.738 1.00 0.00 C ATOM 898 OG SER B 172 65.825 59.557 45.782 1.00 0.00 O ATOM 0 H SER B 172 65.457 62.210 45.300 1.00 0.00 H new ATOM 0 HA SER B 172 66.714 61.234 43.014 1.00 0.00 H new ATOM 0 HB2 SER B 172 67.121 59.138 44.227 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.527 60.558 45.170 1.00 0.00 H new ATOM 0 HG SER B 172 65.085 60.191 45.884 1.00 0.00 H new ATOM 904 N HIS B 173 63.718 59.972 43.559 1.00 0.00 N ATOM 905 CA HIS B 173 62.526 59.408 42.886 1.00 0.00 C ATOM 906 C HIS B 173 62.104 60.177 41.623 1.00 0.00 C ATOM 907 O HIS B 173 61.898 59.556 40.574 1.00 0.00 O ATOM 908 CB HIS B 173 61.381 59.296 43.881 1.00 0.00 C ATOM 909 CG HIS B 173 61.689 58.253 44.956 1.00 0.00 C ATOM 910 ND1 HIS B 173 61.964 58.494 46.227 1.00 0.00 N ATOM 911 CD2 HIS B 173 61.657 56.926 44.795 1.00 0.00 C ATOM 912 CE1 HIS B 173 62.082 57.339 46.866 1.00 0.00 C ATOM 913 NE2 HIS B 173 61.895 56.371 45.968 1.00 0.00 N ATOM 0 H HIS B 173 63.541 60.285 44.514 1.00 0.00 H new ATOM 0 HA HIS B 173 62.799 58.414 42.532 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.205 60.265 44.349 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.465 59.024 43.357 1.00 0.00 H new ATOM 0 HD2 HIS B 173 61.470 56.402 43.870 1.00 0.00 H new ATOM 0 HE1 HIS B 173 62.291 57.206 47.917 1.00 0.00 H new ATOM 0 HE2 HIS B 173 61.930 55.369 46.156 1.00 0.00 H new ATOM 918 N LEU B 174 62.068 61.510 41.701 1.00 0.00 N ATOM 919 CA LEU B 174 61.879 62.400 40.536 1.00 0.00 C ATOM 920 C LEU B 174 62.840 62.074 39.379 1.00 0.00 C ATOM 921 O LEU B 174 62.405 61.754 38.269 1.00 0.00 O ATOM 922 CB LEU B 174 62.046 63.859 40.991 1.00 0.00 C ATOM 923 CG LEU B 174 61.908 64.889 39.862 1.00 0.00 C ATOM 924 CD1 LEU B 174 60.443 65.117 39.473 1.00 0.00 C ATOM 925 CD2 LEU B 174 62.601 66.202 40.243 1.00 0.00 C ATOM 0 H LEU B 174 62.170 62.014 42.582 1.00 0.00 H new ATOM 0 HA LEU B 174 60.873 62.242 40.148 1.00 0.00 H new ATOM 0 HB2 LEU B 174 61.303 64.076 41.758 1.00 0.00 H new ATOM 0 HB3 LEU B 174 63.026 63.974 41.455 1.00 0.00 H new ATOM 0 HG LEU B 174 62.407 64.486 38.981 1.00 0.00 H new ATOM 0 HD11 LEU B 174 60.390 65.853 38.671 1.00 0.00 H new ATOM 0 HD12 LEU B 174 60.006 64.178 39.133 1.00 0.00 H new ATOM 0 HD13 LEU B 174 59.890 65.483 40.338 1.00 0.00 H new ATOM 0 HD21 LEU B 174 62.492 66.920 39.430 1.00 0.00 H new ATOM 0 HD22 LEU B 174 62.144 66.605 41.147 1.00 0.00 H new ATOM 0 HD23 LEU B 174 63.660 66.016 40.423 1.00 0.00 H new ATOM 931 N LEU B 175 64.143 62.054 39.675 1.00 0.00 N ATOM 932 CA LEU B 175 65.181 61.730 38.681 1.00 0.00 C ATOM 933 C LEU B 175 65.132 60.252 38.215 1.00 0.00 C ATOM 934 O LEU B 175 65.480 59.969 37.075 1.00 0.00 O ATOM 935 CB LEU B 175 66.559 62.122 39.222 1.00 0.00 C ATOM 936 CG LEU B 175 67.568 62.421 38.091 1.00 0.00 C ATOM 937 CD1 LEU B 175 67.134 63.618 37.235 1.00 0.00 C ATOM 938 CD2 LEU B 175 68.944 62.693 38.674 1.00 0.00 C ATOM 0 H LEU B 175 64.511 62.260 40.604 1.00 0.00 H new ATOM 0 HA LEU B 175 64.980 62.318 37.785 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.460 63.000 39.860 1.00 0.00 H new ATOM 0 HB3 LEU B 175 66.945 61.316 39.847 1.00 0.00 H new ATOM 0 HG LEU B 175 67.603 61.541 37.449 1.00 0.00 H new ATOM 0 HD11 LEU B 175 67.872 63.792 36.452 1.00 0.00 H new ATOM 0 HD12 LEU B 175 66.166 63.408 36.780 1.00 0.00 H new ATOM 0 HD13 LEU B 175 67.055 64.505 37.863 1.00 0.00 H new ATOM 0 HD21 LEU B 175 69.646 62.902 37.867 1.00 0.00 H new ATOM 0 HD22 LEU B 175 68.893 63.553 39.342 1.00 0.00 H new ATOM 0 HD23 LEU B 175 69.282 61.820 39.232 1.00 0.00 H new ATOM 944 N ALA B 176 64.677 59.356 39.089 1.00 0.00 N ATOM 945 CA ALA B 176 64.375 57.951 38.732 1.00 0.00 C ATOM 946 C ALA B 176 63.231 57.829 37.700 1.00 0.00 C ATOM 947 O ALA B 176 63.399 57.126 36.698 1.00 0.00 O ATOM 948 CB ALA B 176 64.069 57.145 39.993 1.00 0.00 C ATOM 0 H ALA B 176 64.503 59.574 40.070 1.00 0.00 H new ATOM 0 HA ALA B 176 65.262 57.539 38.252 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.848 56.113 39.721 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.932 57.168 40.658 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.208 57.578 40.502 1.00 0.00 H new ATOM 954 N ILE B 177 62.134 58.553 37.914 1.00 0.00 N ATOM 955 CA ILE B 177 61.050 58.698 36.905 1.00 0.00 C ATOM 956 C ILE B 177 61.642 59.271 35.592 1.00 0.00 C ATOM 957 O ILE B 177 61.405 58.711 34.523 1.00 0.00 O ATOM 958 CB ILE B 177 59.895 59.585 37.437 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.340 59.033 38.748 1.00 0.00 C ATOM 960 CG2 ILE B 177 58.755 59.666 36.404 1.00 0.00 C ATOM 961 CD1 ILE B 177 58.598 60.075 39.594 1.00 0.00 C ATOM 0 H ILE B 177 61.958 59.059 38.782 1.00 0.00 H new ATOM 0 HA ILE B 177 60.625 57.715 36.702 1.00 0.00 H new ATOM 0 HB ILE B 177 60.300 60.581 37.612 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.662 58.209 38.526 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.161 58.621 39.334 1.00 0.00 H new ATOM 0 HG21 ILE B 177 57.953 60.293 36.795 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.134 60.097 35.477 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.370 58.665 36.208 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.233 59.608 40.509 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.278 60.888 39.848 1.00 0.00 H new ATOM 0 HD13 ILE B 177 57.755 60.470 39.027 1.00 0.00 H new ATOM 965 N GLY B 178 62.431 60.340 35.721 1.00 0.00 N ATOM 966 CA GLY B 178 63.199 60.953 34.612 1.00 0.00 C ATOM 967 C GLY B 178 64.012 59.931 33.809 1.00 0.00 C ATOM 968 O GLY B 178 63.837 59.785 32.596 1.00 0.00 O ATOM 0 H GLY B 178 62.563 60.820 36.612 1.00 0.00 H new ATOM 0 HA2 GLY B 178 62.511 61.468 33.942 1.00 0.00 H new ATOM 0 HA3 GLY B 178 63.873 61.707 35.018 1.00 0.00 H new ATOM 972 N LEU B 179 64.844 59.175 34.526 1.00 0.00 N ATOM 973 CA LEU B 179 65.637 58.046 34.020 1.00 0.00 C ATOM 974 C LEU B 179 64.751 57.029 33.285 1.00 0.00 C ATOM 975 O LEU B 179 65.006 56.716 32.130 1.00 0.00 O ATOM 976 CB LEU B 179 66.352 57.404 35.218 1.00 0.00 C ATOM 977 CG LEU B 179 67.380 56.345 34.812 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.704 56.983 34.380 1.00 0.00 C ATOM 979 CD2 LEU B 179 67.556 55.362 35.963 1.00 0.00 C ATOM 0 H LEU B 179 64.993 59.338 35.522 1.00 0.00 H new ATOM 0 HA LEU B 179 66.369 58.397 33.293 1.00 0.00 H new ATOM 0 HB2 LEU B 179 66.851 58.183 35.795 1.00 0.00 H new ATOM 0 HB3 LEU B 179 65.610 56.948 35.874 1.00 0.00 H new ATOM 0 HG LEU B 179 67.017 55.799 33.941 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.410 56.201 34.099 1.00 0.00 H new ATOM 0 HD12 LEU B 179 68.530 57.639 33.527 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.115 57.563 35.206 1.00 0.00 H new ATOM 0 HD21 LEU B 179 68.287 54.603 35.684 1.00 0.00 H new ATOM 0 HD22 LEU B 179 67.906 55.895 36.847 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.601 54.884 36.182 1.00 0.00 H new ATOM 985 N GLY B 180 63.660 56.653 33.936 1.00 0.00 N ATOM 986 CA GLY B 180 62.594 55.804 33.354 1.00 0.00 C ATOM 987 C GLY B 180 62.096 56.299 32.000 1.00 0.00 C ATOM 988 O GLY B 180 62.108 55.537 31.036 1.00 0.00 O ATOM 0 H GLY B 180 63.474 56.926 34.901 1.00 0.00 H new ATOM 0 HA2 GLY B 180 62.969 54.787 33.245 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.755 55.761 34.048 1.00 0.00 H new ATOM 992 N ILE B 181 61.711 57.570 31.916 1.00 0.00 N ATOM 993 CA ILE B 181 61.257 58.215 30.661 1.00 0.00 C ATOM 994 C ILE B 181 62.357 58.103 29.577 1.00 0.00 C ATOM 995 O ILE B 181 62.099 57.578 28.503 1.00 0.00 O ATOM 996 CB ILE B 181 60.829 59.691 30.870 1.00 0.00 C ATOM 997 CG1 ILE B 181 59.804 59.812 31.999 1.00 0.00 C ATOM 998 CG2 ILE B 181 60.216 60.248 29.577 1.00 0.00 C ATOM 999 CD1 ILE B 181 59.775 61.196 32.644 1.00 0.00 C ATOM 0 H ILE B 181 61.701 58.198 32.720 1.00 0.00 H new ATOM 0 HA ILE B 181 60.368 57.682 30.323 1.00 0.00 H new ATOM 0 HB ILE B 181 61.718 60.262 31.138 1.00 0.00 H new ATOM 0 HG12 ILE B 181 58.813 59.581 31.607 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.026 59.067 32.763 1.00 0.00 H new ATOM 0 HG21 ILE B 181 59.918 61.285 29.733 1.00 0.00 H new ATOM 0 HG22 ILE B 181 60.952 60.198 28.775 1.00 0.00 H new ATOM 0 HG23 ILE B 181 59.342 59.657 29.305 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.027 61.213 33.436 1.00 0.00 H new ATOM 0 HD12 ILE B 181 60.755 61.422 33.065 1.00 0.00 H new ATOM 0 HD13 ILE B 181 59.523 61.943 31.891 1.00 0.00 H new ATOM 1003 N TYR B 182 63.568 58.507 29.949 1.00 0.00 N ATOM 1004 CA TYR B 182 64.791 58.369 29.131 1.00 0.00 C ATOM 1005 C TYR B 182 64.938 56.961 28.509 1.00 0.00 C ATOM 1006 O TYR B 182 64.772 56.817 27.294 1.00 0.00 O ATOM 1007 CB TYR B 182 65.983 58.802 29.996 1.00 0.00 C ATOM 1008 CG TYR B 182 67.355 58.689 29.350 1.00 0.00 C ATOM 1009 CD1 TYR B 182 67.721 59.553 28.283 1.00 0.00 C ATOM 1010 CD2 TYR B 182 68.273 57.713 29.843 1.00 0.00 C ATOM 1011 CE1 TYR B 182 68.975 59.427 27.698 1.00 0.00 C ATOM 1012 CE2 TYR B 182 69.531 57.597 29.244 1.00 0.00 C ATOM 1013 CZ TYR B 182 69.876 58.438 28.155 1.00 0.00 C ATOM 1014 OH TYR B 182 70.970 58.154 27.435 1.00 0.00 O ATOM 0 H TYR B 182 63.741 58.953 30.850 1.00 0.00 H new ATOM 0 HA TYR B 182 64.737 59.021 28.260 1.00 0.00 H new ATOM 0 HB2 TYR B 182 65.830 59.838 30.297 1.00 0.00 H new ATOM 0 HB3 TYR B 182 65.982 58.202 30.906 1.00 0.00 H new ATOM 0 HD1 TYR B 182 67.029 60.303 27.929 1.00 0.00 H new ATOM 0 HD2 TYR B 182 67.999 57.072 30.668 1.00 0.00 H new ATOM 0 HE1 TYR B 182 69.262 60.086 26.892 1.00 0.00 H new ATOM 0 HE2 TYR B 182 70.239 56.868 29.610 1.00 0.00 H new ATOM 0 HH TYR B 182 71.486 57.453 27.886 1.00 0.00 H new ATOM 1019 N ILE B 183 64.924 55.963 29.388 1.00 0.00 N ATOM 1020 CA ILE B 183 64.954 54.522 29.043 1.00 0.00 C ATOM 1021 C ILE B 183 63.777 54.135 28.120 1.00 0.00 C ATOM 1022 O ILE B 183 63.980 53.716 26.994 1.00 0.00 O ATOM 1023 CB ILE B 183 64.976 53.670 30.330 1.00 0.00 C ATOM 1024 CG1 ILE B 183 66.197 53.997 31.207 1.00 0.00 C ATOM 1025 CG2 ILE B 183 64.969 52.177 29.997 1.00 0.00 C ATOM 1026 CD1 ILE B 183 66.046 53.518 32.654 1.00 0.00 C ATOM 0 H ILE B 183 64.891 56.127 30.394 1.00 0.00 H new ATOM 0 HA ILE B 183 65.868 54.320 28.485 1.00 0.00 H new ATOM 0 HB ILE B 183 64.074 53.916 30.890 1.00 0.00 H new ATOM 0 HG12 ILE B 183 67.084 53.538 30.770 1.00 0.00 H new ATOM 0 HG13 ILE B 183 66.361 55.075 31.203 1.00 0.00 H new ATOM 0 HG21 ILE B 183 64.985 51.598 30.920 1.00 0.00 H new ATOM 0 HG22 ILE B 183 64.069 51.934 29.432 1.00 0.00 H new ATOM 0 HG23 ILE B 183 65.848 51.933 29.401 1.00 0.00 H new ATOM 0 HD11 ILE B 183 66.941 53.779 33.219 1.00 0.00 H new ATOM 0 HD12 ILE B 183 65.178 53.997 33.107 1.00 0.00 H new ATOM 0 HD13 ILE B 183 65.912 52.436 32.667 1.00 0.00 H new