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 : no HD1:sc= -1.16! C(o=0.73!,f=-3.6!) USER MOD Set 1.2: B 172 SER OG : rot -91:sc= 1.89 USER MOD Set 2.1: A 172 SER OG : rot -75:sc= 2.27 USER MOD Set 2.2: B 173 HIS : +bothHN:sc= 1.47 K(o=3.7,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 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 67.203 51.946 52.579 1.00 0.00 N ATOM 261 CA LEU A 166 67.522 51.620 51.175 1.00 0.00 C ATOM 262 C LEU A 166 66.681 50.497 50.518 1.00 0.00 C ATOM 263 O LEU A 166 66.351 50.662 49.347 1.00 0.00 O ATOM 264 CB LEU A 166 69.040 51.413 51.038 1.00 0.00 C ATOM 265 CG LEU A 166 69.552 51.859 49.661 1.00 0.00 C ATOM 266 CD1 LEU A 166 69.430 53.372 49.463 1.00 0.00 C ATOM 267 CD2 LEU A 166 70.997 51.414 49.498 1.00 0.00 C ATOM 0 HA LEU A 166 67.214 52.482 50.584 1.00 0.00 H new ATOM 0 HB2 LEU A 166 69.556 51.974 51.817 1.00 0.00 H new ATOM 0 HB3 LEU A 166 69.279 50.361 51.192 1.00 0.00 H new ATOM 0 HG LEU A 166 68.931 51.390 48.897 1.00 0.00 H new ATOM 0 HD11 LEU A 166 69.804 53.641 48.475 1.00 0.00 H new ATOM 0 HD12 LEU A 166 68.384 53.667 49.548 1.00 0.00 H new ATOM 0 HD13 LEU A 166 70.015 53.887 50.225 1.00 0.00 H new ATOM 0 HD21 LEU A 166 71.366 51.728 48.522 1.00 0.00 H new ATOM 0 HD22 LEU A 166 71.607 51.866 50.280 1.00 0.00 H new ATOM 0 HD23 LEU A 166 71.054 50.328 49.576 1.00 0.00 H new ATOM 273 N PRO A 167 66.259 49.413 51.211 1.00 0.00 N ATOM 274 CA PRO A 167 65.305 48.430 50.658 1.00 0.00 C ATOM 275 C PRO A 167 63.990 49.044 50.154 1.00 0.00 C ATOM 276 O PRO A 167 63.695 48.936 48.956 1.00 0.00 O ATOM 277 CB PRO A 167 65.089 47.406 51.773 1.00 0.00 C ATOM 278 CG PRO A 167 66.448 47.386 52.463 1.00 0.00 C ATOM 279 CD PRO A 167 66.866 48.858 52.445 1.00 0.00 C ATOM 0 HA PRO A 167 65.713 47.971 49.758 1.00 0.00 H new ATOM 0 HB2 PRO A 167 64.292 47.707 52.453 1.00 0.00 H new ATOM 0 HB3 PRO A 167 64.819 46.426 51.379 1.00 0.00 H new ATOM 0 HG2 PRO A 167 66.379 46.999 53.480 1.00 0.00 H new ATOM 0 HG3 PRO A 167 67.162 46.757 51.930 1.00 0.00 H new ATOM 0 HD2 PRO A 167 66.507 49.381 53.331 1.00 0.00 H new ATOM 0 HD3 PRO A 167 67.951 48.960 52.432 1.00 0.00 H new ATOM 285 N SER A 168 63.246 49.726 51.021 1.00 0.00 N ATOM 286 CA SER A 168 62.021 50.464 50.627 1.00 0.00 C ATOM 287 C SER A 168 62.273 51.543 49.560 1.00 0.00 C ATOM 288 O SER A 168 61.453 51.708 48.644 1.00 0.00 O ATOM 289 CB SER A 168 61.295 51.081 51.824 1.00 0.00 C ATOM 290 OG SER A 168 62.111 52.061 52.471 1.00 0.00 O ATOM 0 H SER A 168 63.463 49.791 52.016 1.00 0.00 H new ATOM 0 HA SER A 168 61.377 49.705 50.184 1.00 0.00 H new ATOM 0 HB2 SER A 168 60.364 51.540 51.492 1.00 0.00 H new ATOM 0 HB3 SER A 168 61.028 50.299 52.535 1.00 0.00 H new ATOM 0 HG SER A 168 61.624 52.442 53.231 1.00 0.00 H new ATOM 296 N LEU A 169 63.394 52.249 49.679 1.00 0.00 N ATOM 297 CA LEU A 169 63.871 53.191 48.643 1.00 0.00 C ATOM 298 C LEU A 169 63.999 52.561 47.251 1.00 0.00 C ATOM 299 O LEU A 169 63.079 52.722 46.455 1.00 0.00 O ATOM 300 CB LEU A 169 65.190 53.869 49.031 1.00 0.00 C ATOM 301 CG LEU A 169 64.914 55.256 49.603 1.00 0.00 C ATOM 302 CD1 LEU A 169 64.502 55.193 51.070 1.00 0.00 C ATOM 303 CD2 LEU A 169 66.124 56.163 49.368 1.00 0.00 C ATOM 0 H LEU A 169 64.006 52.192 50.493 1.00 0.00 H new ATOM 0 HA LEU A 169 63.091 53.951 48.586 1.00 0.00 H new ATOM 0 HB2 LEU A 169 65.718 53.262 49.766 1.00 0.00 H new ATOM 0 HB3 LEU A 169 65.838 53.949 48.158 1.00 0.00 H new ATOM 0 HG LEU A 169 64.063 55.690 49.077 1.00 0.00 H new ATOM 0 HD11 LEU A 169 64.315 56.201 51.439 1.00 0.00 H new ATOM 0 HD12 LEU A 169 63.595 54.596 51.168 1.00 0.00 H new ATOM 0 HD13 LEU A 169 65.301 54.736 51.653 1.00 0.00 H new ATOM 0 HD21 LEU A 169 65.922 57.152 49.778 1.00 0.00 H new ATOM 0 HD22 LEU A 169 66.999 55.738 49.860 1.00 0.00 H new ATOM 0 HD23 LEU A 169 66.314 56.246 48.298 1.00 0.00 H new ATOM 309 N LEU A 170 64.926 51.618 47.115 1.00 0.00 N ATOM 310 CA LEU A 170 65.189 50.894 45.856 1.00 0.00 C ATOM 311 C LEU A 170 63.941 50.282 45.182 1.00 0.00 C ATOM 312 O LEU A 170 63.735 50.441 43.980 1.00 0.00 O ATOM 313 CB LEU A 170 66.244 49.813 46.128 1.00 0.00 C ATOM 314 CG LEU A 170 67.661 50.389 46.150 1.00 0.00 C ATOM 315 CD1 LEU A 170 68.629 49.347 46.715 1.00 0.00 C ATOM 316 CD2 LEU A 170 68.117 50.776 44.746 1.00 0.00 C ATOM 0 H LEU A 170 65.530 51.324 47.883 1.00 0.00 H new ATOM 0 HA LEU A 170 65.550 51.631 45.138 1.00 0.00 H new ATOM 0 HB2 LEU A 170 66.033 49.332 47.083 1.00 0.00 H new ATOM 0 HB3 LEU A 170 66.178 49.041 45.361 1.00 0.00 H new ATOM 0 HG LEU A 170 67.655 51.281 46.777 1.00 0.00 H new ATOM 0 HD11 LEU A 170 69.638 49.758 46.730 1.00 0.00 H new ATOM 0 HD12 LEU A 170 68.329 49.084 47.729 1.00 0.00 H new ATOM 0 HD13 LEU A 170 68.610 48.455 46.088 1.00 0.00 H new ATOM 0 HD21 LEU A 170 69.127 51.183 44.791 1.00 0.00 H new ATOM 0 HD22 LEU A 170 68.109 49.895 44.105 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.441 51.528 44.338 1.00 0.00 H new ATOM 322 N LEU A 171 63.087 49.668 45.995 1.00 0.00 N ATOM 323 CA LEU A 171 61.812 49.095 45.526 1.00 0.00 C ATOM 324 C LEU A 171 60.826 50.153 44.982 1.00 0.00 C ATOM 325 O LEU A 171 60.317 50.034 43.872 1.00 0.00 O ATOM 326 CB LEU A 171 61.185 48.291 46.673 1.00 0.00 C ATOM 327 CG LEU A 171 60.048 47.393 46.192 1.00 0.00 C ATOM 328 CD1 LEU A 171 60.562 46.225 45.325 1.00 0.00 C ATOM 329 CD2 LEU A 171 59.290 46.867 47.404 1.00 0.00 C ATOM 0 H LEU A 171 63.250 49.549 46.995 1.00 0.00 H new ATOM 0 HA LEU A 171 62.028 48.443 44.680 1.00 0.00 H new ATOM 0 HB2 LEU A 171 61.952 47.680 47.148 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.808 48.977 47.432 1.00 0.00 H new ATOM 0 HG LEU A 171 59.382 47.983 45.562 1.00 0.00 H new ATOM 0 HD11 LEU A 171 59.720 45.612 45.004 1.00 0.00 H new ATOM 0 HD12 LEU A 171 61.077 46.621 44.449 1.00 0.00 H new ATOM 0 HD13 LEU A 171 61.253 45.616 45.908 1.00 0.00 H new ATOM 0 HD21 LEU A 171 58.475 46.224 47.072 1.00 0.00 H new ATOM 0 HD22 LEU A 171 59.968 46.296 48.038 1.00 0.00 H new ATOM 0 HD23 LEU A 171 58.884 47.705 47.971 1.00 0.00 H new ATOM 335 N SER A 172 60.607 51.218 45.763 1.00 0.00 N ATOM 336 CA SER A 172 59.743 52.349 45.334 1.00 0.00 C ATOM 337 C SER A 172 60.355 53.199 44.195 1.00 0.00 C ATOM 338 O SER A 172 59.634 53.734 43.359 1.00 0.00 O ATOM 339 CB SER A 172 59.345 53.249 46.504 1.00 0.00 C ATOM 340 OG SER A 172 60.507 53.764 47.167 1.00 0.00 O ATOM 0 H SER A 172 61.010 51.330 46.693 1.00 0.00 H new ATOM 0 HA SER A 172 58.845 51.876 44.936 1.00 0.00 H new ATOM 0 HB2 SER A 172 58.732 54.074 46.142 1.00 0.00 H new ATOM 0 HB3 SER A 172 58.736 52.686 47.212 1.00 0.00 H new ATOM 0 HG SER A 172 60.911 53.058 47.714 1.00 0.00 H new ATOM 346 N HIS A 173 61.689 53.249 44.152 1.00 0.00 N ATOM 347 CA HIS A 173 62.438 53.732 42.979 1.00 0.00 C ATOM 348 C HIS A 173 62.092 52.937 41.711 1.00 0.00 C ATOM 349 O HIS A 173 61.801 53.547 40.685 1.00 0.00 O ATOM 350 CB HIS A 173 63.950 53.688 43.228 1.00 0.00 C ATOM 351 CG HIS A 173 64.425 54.798 44.165 1.00 0.00 C ATOM 352 ND1 HIS A 173 65.209 54.639 45.235 1.00 0.00 N ATOM 353 CD2 HIS A 173 64.199 56.102 44.023 1.00 0.00 C ATOM 354 CE1 HIS A 173 65.463 55.834 45.734 1.00 0.00 C ATOM 355 NE2 HIS A 173 64.839 56.734 45.003 1.00 0.00 N ATOM 0 H HIS A 173 62.284 52.957 44.927 1.00 0.00 H new ATOM 0 HA HIS A 173 62.139 54.768 42.821 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.216 52.720 43.653 1.00 0.00 H new ATOM 0 HB3 HIS A 173 64.474 53.773 42.276 1.00 0.00 H new ATOM 0 HD2 HIS A 173 63.603 56.564 43.250 1.00 0.00 H new ATOM 0 HE1 HIS A 173 66.079 56.039 46.597 1.00 0.00 H new ATOM 0 HE2 HIS A 173 64.845 57.742 45.161 1.00 0.00 H new ATOM 360 N LEU A 174 62.036 51.614 41.821 1.00 0.00 N ATOM 361 CA LEU A 174 61.550 50.743 40.718 1.00 0.00 C ATOM 362 C LEU A 174 60.093 50.999 40.291 1.00 0.00 C ATOM 363 O LEU A 174 59.796 50.918 39.105 1.00 0.00 O ATOM 364 CB LEU A 174 61.777 49.269 41.042 1.00 0.00 C ATOM 365 CG LEU A 174 63.245 48.883 40.843 1.00 0.00 C ATOM 366 CD1 LEU A 174 63.517 47.549 41.526 1.00 0.00 C ATOM 367 CD2 LEU A 174 63.583 48.767 39.348 1.00 0.00 C ATOM 0 H LEU A 174 62.318 51.105 42.659 1.00 0.00 H new ATOM 0 HA LEU A 174 62.153 51.017 39.852 1.00 0.00 H new ATOM 0 HB2 LEU A 174 61.481 49.070 42.072 1.00 0.00 H new ATOM 0 HB3 LEU A 174 61.145 48.651 40.404 1.00 0.00 H new ATOM 0 HG LEU A 174 63.869 49.661 41.282 1.00 0.00 H new ATOM 0 HD11 LEU A 174 64.562 47.274 41.384 1.00 0.00 H new ATOM 0 HD12 LEU A 174 63.306 47.636 42.592 1.00 0.00 H new ATOM 0 HD13 LEU A 174 62.878 46.781 41.091 1.00 0.00 H new ATOM 0 HD21 LEU A 174 64.631 48.492 39.232 1.00 0.00 H new ATOM 0 HD22 LEU A 174 62.955 48.002 38.891 1.00 0.00 H new ATOM 0 HD23 LEU A 174 63.403 49.724 38.859 1.00 0.00 H new ATOM 373 N LEU A 175 59.224 51.340 41.249 1.00 0.00 N ATOM 374 CA LEU A 175 57.877 51.871 40.921 1.00 0.00 C ATOM 375 C LEU A 175 57.953 53.133 40.035 1.00 0.00 C ATOM 376 O LEU A 175 57.364 53.174 38.965 1.00 0.00 O ATOM 377 CB LEU A 175 57.066 52.200 42.187 1.00 0.00 C ATOM 378 CG LEU A 175 56.313 51.006 42.772 1.00 0.00 C ATOM 379 CD1 LEU A 175 55.662 51.452 44.089 1.00 0.00 C ATOM 380 CD2 LEU A 175 55.221 50.499 41.823 1.00 0.00 C ATOM 0 H LEU A 175 59.416 51.263 42.248 1.00 0.00 H new ATOM 0 HA LEU A 175 57.372 51.079 40.369 1.00 0.00 H new ATOM 0 HB2 LEU A 175 57.741 52.597 42.945 1.00 0.00 H new ATOM 0 HB3 LEU A 175 56.350 52.988 41.953 1.00 0.00 H new ATOM 0 HG LEU A 175 57.020 50.192 42.930 1.00 0.00 H new ATOM 0 HD11 LEU A 175 55.117 50.616 44.527 1.00 0.00 H new ATOM 0 HD12 LEU A 175 56.434 51.785 44.782 1.00 0.00 H new ATOM 0 HD13 LEU A 175 54.971 52.272 43.894 1.00 0.00 H new ATOM 0 HD21 LEU A 175 54.710 49.650 42.277 1.00 0.00 H new ATOM 0 HD22 LEU A 175 54.503 51.297 41.636 1.00 0.00 H new ATOM 0 HD23 LEU A 175 55.673 50.189 40.881 1.00 0.00 H new ATOM 386 N ALA A 176 58.771 54.084 40.468 1.00 0.00 N ATOM 387 CA ALA A 176 59.082 55.317 39.718 1.00 0.00 C ATOM 388 C ALA A 176 59.694 55.060 38.329 1.00 0.00 C ATOM 389 O ALA A 176 59.192 55.570 37.335 1.00 0.00 O ATOM 390 CB ALA A 176 59.981 56.199 40.583 1.00 0.00 C ATOM 0 H ALA A 176 59.251 54.029 41.366 1.00 0.00 H new ATOM 0 HA ALA A 176 58.144 55.831 39.510 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.220 57.115 40.043 1.00 0.00 H new ATOM 0 HB2 ALA A 176 59.463 56.449 41.509 1.00 0.00 H new ATOM 0 HB3 ALA A 176 60.902 55.663 40.815 1.00 0.00 H new ATOM 396 N ILE A 177 60.714 54.202 38.257 1.00 0.00 N ATOM 397 CA ILE A 177 61.347 53.747 36.994 1.00 0.00 C ATOM 398 C ILE A 177 60.324 53.064 36.057 1.00 0.00 C ATOM 399 O ILE A 177 60.278 53.373 34.860 1.00 0.00 O ATOM 400 CB ILE A 177 62.565 52.843 37.292 1.00 0.00 C ATOM 401 CG1 ILE A 177 63.620 53.619 38.088 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.214 52.300 36.000 1.00 0.00 C ATOM 403 CD1 ILE A 177 64.586 52.741 38.889 1.00 0.00 C ATOM 0 H ILE A 177 61.140 53.789 39.087 1.00 0.00 H new ATOM 0 HA ILE A 177 61.713 54.624 36.461 1.00 0.00 H new ATOM 0 HB ILE A 177 62.199 51.998 37.875 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.197 54.235 37.398 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.113 54.298 38.774 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.065 51.670 36.258 1.00 0.00 H new ATOM 0 HG22 ILE A 177 62.483 51.713 35.445 1.00 0.00 H new ATOM 0 HG23 ILE A 177 63.552 53.134 35.385 1.00 0.00 H new ATOM 0 HD11 ILE A 177 65.297 53.373 39.420 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.024 52.144 39.607 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.125 52.080 38.210 1.00 0.00 H new ATOM 407 N GLY A 178 59.526 52.155 36.606 1.00 0.00 N ATOM 408 CA GLY A 178 58.388 51.494 35.931 1.00 0.00 C ATOM 409 C GLY A 178 57.434 52.518 35.291 1.00 0.00 C ATOM 410 O GLY A 178 57.353 52.604 34.069 1.00 0.00 O ATOM 0 H GLY A 178 59.649 51.839 37.568 1.00 0.00 H new ATOM 0 HA2 GLY A 178 58.763 50.817 35.164 1.00 0.00 H new ATOM 0 HA3 GLY A 178 57.840 50.887 36.652 1.00 0.00 H new ATOM 414 N LEU A 179 56.930 53.406 36.144 1.00 0.00 N ATOM 415 CA LEU A 179 56.106 54.577 35.762 1.00 0.00 C ATOM 416 C LEU A 179 56.752 55.398 34.628 1.00 0.00 C ATOM 417 O LEU A 179 56.098 55.736 33.646 1.00 0.00 O ATOM 418 CB LEU A 179 55.906 55.439 37.009 1.00 0.00 C ATOM 419 CG LEU A 179 54.901 56.582 36.801 1.00 0.00 C ATOM 420 CD1 LEU A 179 53.458 56.087 36.927 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.203 57.708 37.795 1.00 0.00 C ATOM 0 H LEU A 179 57.081 53.340 37.151 1.00 0.00 H new ATOM 0 HA LEU A 179 55.147 54.229 35.378 1.00 0.00 H new ATOM 0 HB2 LEU A 179 55.563 54.807 37.828 1.00 0.00 H new ATOM 0 HB3 LEU A 179 56.866 55.858 37.310 1.00 0.00 H new ATOM 0 HG LEU A 179 55.008 56.971 35.788 1.00 0.00 H new ATOM 0 HD11 LEU A 179 52.773 56.921 36.774 1.00 0.00 H new ATOM 0 HD12 LEU A 179 53.269 55.320 36.176 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.303 55.667 37.921 1.00 0.00 H new ATOM 0 HD21 LEU A 179 54.492 58.521 37.651 1.00 0.00 H new ATOM 0 HD22 LEU A 179 55.117 57.328 38.813 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.215 58.077 37.630 1.00 0.00 H new ATOM 427 N GLY A 180 58.057 55.653 34.790 1.00 0.00 N ATOM 428 CA GLY A 180 58.935 56.283 33.796 1.00 0.00 C ATOM 429 C GLY A 180 58.794 55.699 32.386 1.00 0.00 C ATOM 430 O GLY A 180 58.277 56.355 31.499 1.00 0.00 O ATOM 0 H GLY A 180 58.549 55.417 35.652 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.720 57.351 33.760 1.00 0.00 H new ATOM 0 HA3 GLY A 180 59.970 56.178 34.121 1.00 0.00 H new ATOM 434 N ILE A 181 59.112 54.407 32.255 1.00 0.00 N ATOM 435 CA ILE A 181 59.067 53.709 30.954 1.00 0.00 C ATOM 436 C ILE A 181 57.620 53.516 30.459 1.00 0.00 C ATOM 437 O ILE A 181 57.366 53.526 29.260 1.00 0.00 O ATOM 438 CB ILE A 181 59.832 52.376 30.951 1.00 0.00 C ATOM 439 CG1 ILE A 181 61.194 52.495 31.637 1.00 0.00 C ATOM 440 CG2 ILE A 181 60.057 51.933 29.495 1.00 0.00 C ATOM 441 CD1 ILE A 181 61.823 51.181 32.089 1.00 0.00 C ATOM 0 H ILE A 181 59.405 53.817 33.034 1.00 0.00 H new ATOM 0 HA ILE A 181 59.584 54.363 30.252 1.00 0.00 H new ATOM 0 HB ILE A 181 59.235 51.648 31.500 1.00 0.00 H new ATOM 0 HG12 ILE A 181 61.883 52.990 30.953 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.087 53.144 32.506 1.00 0.00 H new ATOM 0 HG21 ILE A 181 60.599 50.988 29.482 1.00 0.00 H new ATOM 0 HG22 ILE A 181 59.094 51.806 29.000 1.00 0.00 H new ATOM 0 HG23 ILE A 181 60.637 52.691 28.969 1.00 0.00 H new ATOM 0 HD11 ILE A 181 62.784 51.382 32.562 1.00 0.00 H new ATOM 0 HD12 ILE A 181 61.163 50.688 32.803 1.00 0.00 H new ATOM 0 HD13 ILE A 181 61.971 50.533 31.225 1.00 0.00 H new ATOM 445 N TYR A 182 56.682 53.350 31.401 1.00 0.00 N ATOM 446 CA TYR A 182 55.225 53.335 31.135 1.00 0.00 C ATOM 447 C TYR A 182 54.776 54.535 30.264 1.00 0.00 C ATOM 448 O TYR A 182 54.565 54.366 29.056 1.00 0.00 O ATOM 449 CB TYR A 182 54.483 53.228 32.482 1.00 0.00 C ATOM 450 CG TYR A 182 52.989 53.460 32.425 1.00 0.00 C ATOM 451 CD1 TYR A 182 52.137 52.534 31.739 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.438 54.634 33.006 1.00 0.00 C ATOM 453 CE1 TYR A 182 50.781 52.802 31.620 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.082 54.893 32.899 1.00 0.00 C ATOM 455 CZ TYR A 182 50.251 53.974 32.191 1.00 0.00 C ATOM 456 OH TYR A 182 48.974 54.293 31.952 1.00 0.00 O ATOM 0 H TYR A 182 56.911 53.220 32.386 1.00 0.00 H new ATOM 0 HA TYR A 182 54.966 52.462 30.536 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.663 52.237 32.898 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.918 53.948 33.175 1.00 0.00 H new ATOM 0 HD1 TYR A 182 52.549 51.630 31.316 1.00 0.00 H new ATOM 0 HD2 TYR A 182 53.079 55.326 33.532 1.00 0.00 H new ATOM 0 HE1 TYR A 182 50.136 52.115 31.092 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.658 55.780 33.346 1.00 0.00 H new ATOM 0 HH TYR A 182 48.753 55.128 32.415 1.00 0.00 H new ATOM 461 N ILE A 183 54.866 55.732 30.826 1.00 0.00 N ATOM 462 CA ILE A 183 54.589 56.958 30.046 1.00 0.00 C ATOM 463 C ILE A 183 55.626 57.257 28.937 1.00 0.00 C ATOM 464 O ILE A 183 55.231 57.633 27.843 1.00 0.00 O ATOM 465 CB ILE A 183 54.223 58.195 30.902 1.00 0.00 C ATOM 466 CG1 ILE A 183 55.072 58.408 32.160 1.00 0.00 C ATOM 467 CG2 ILE A 183 52.728 58.132 31.242 1.00 0.00 C ATOM 468 CD1 ILE A 183 56.432 59.027 31.861 1.00 0.00 C ATOM 0 H ILE A 183 55.123 55.893 31.800 1.00 0.00 H new ATOM 0 HA ILE A 183 53.672 56.717 29.509 1.00 0.00 H new ATOM 0 HB ILE A 183 54.452 59.069 30.292 1.00 0.00 H new ATOM 0 HG12 ILE A 183 54.530 59.052 32.853 1.00 0.00 H new ATOM 0 HG13 ILE A 183 55.217 57.451 32.661 1.00 0.00 H new ATOM 0 HG21 ILE A 183 52.455 58.998 31.845 1.00 0.00 H new ATOM 0 HG22 ILE A 183 52.145 58.133 30.321 1.00 0.00 H new ATOM 0 HG23 ILE A 183 52.520 57.220 31.802 1.00 0.00 H new ATOM 0 HD11 ILE A 183 56.987 59.153 32.791 1.00 0.00 H new ATOM 0 HD12 ILE A 183 56.990 58.373 31.191 1.00 0.00 H new ATOM 0 HD13 ILE A 183 56.293 59.998 31.387 1.00 0.00 H new ATOM 472 N GLY A 184 56.870 56.846 29.160 1.00 0.00 N ATOM 473 CA GLY A 184 57.964 56.848 28.150 1.00 0.00 C ATOM 474 C GLY A 184 57.544 56.204 26.818 1.00 0.00 C ATOM 475 O GLY A 184 57.341 56.908 25.834 1.00 0.00 O ATOM 0 H GLY A 184 57.170 56.490 30.067 1.00 0.00 H new ATOM 0 HA2 GLY A 184 58.283 57.874 27.968 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.825 56.313 28.552 1.00 0.00 H new ATOM 479 N ARG A 185 57.244 54.900 26.863 1.00 0.00 N ATOM 480 CA ARG A 185 56.746 54.135 25.697 1.00 0.00 C ATOM 481 C ARG A 185 55.376 54.581 25.156 1.00 0.00 C ATOM 482 O ARG A 185 55.068 54.359 23.988 1.00 0.00 O ATOM 483 CB ARG A 185 56.686 52.632 25.991 1.00 0.00 C ATOM 484 CG ARG A 185 58.063 51.974 25.854 1.00 0.00 C ATOM 485 CD ARG A 185 57.985 50.451 26.010 1.00 0.00 C ATOM 486 NE ARG A 185 57.195 49.812 24.928 1.00 0.00 N ATOM 487 CZ ARG A 185 57.717 49.304 23.803 1.00 0.00 C ATOM 488 NH1 ARG A 185 59.036 49.188 23.646 1.00 0.00 N ATOM 489 NH2 ARG A 185 56.911 48.768 22.886 1.00 0.00 N ATOM 0 H ARG A 185 57.338 54.338 27.709 1.00 0.00 H new ATOM 0 HA ARG A 185 57.480 54.351 24.920 1.00 0.00 H new ATOM 0 HB2 ARG A 185 56.305 52.473 27.000 1.00 0.00 H new ATOM 0 HB3 ARG A 185 55.985 52.155 25.307 1.00 0.00 H new ATOM 0 HG2 ARG A 185 58.487 52.218 24.880 1.00 0.00 H new ATOM 0 HG3 ARG A 185 58.737 52.382 26.607 1.00 0.00 H new ATOM 0 HD2 ARG A 185 58.993 50.037 26.014 1.00 0.00 H new ATOM 0 HD3 ARG A 185 57.538 50.210 26.974 1.00 0.00 H new ATOM 0 HE ARG A 185 56.184 49.756 25.049 1.00 0.00 H new ATOM 0 HH11 ARG A 185 59.666 49.488 24.389 1.00 0.00 H new ATOM 0 HH12 ARG A 185 59.415 48.799 22.782 1.00 0.00 H new ATOM 0 HH21 ARG A 185 55.903 48.746 23.043 1.00 0.00 H new ATOM 0 HH22 ARG A 185 57.302 48.380 22.028 1.00 0.00 H new ATOM 802 N PHE B 165 67.721 63.097 54.335 1.00 0.00 N ATOM 803 CA PHE B 165 66.896 61.948 53.897 1.00 0.00 C ATOM 804 C PHE B 165 65.581 62.308 53.170 1.00 0.00 C ATOM 805 O PHE B 165 65.248 61.687 52.154 1.00 0.00 O ATOM 806 CB PHE B 165 66.663 60.953 55.043 1.00 0.00 C ATOM 807 CG PHE B 165 65.457 61.264 55.952 1.00 0.00 C ATOM 808 CD1 PHE B 165 65.508 62.320 56.885 1.00 0.00 C ATOM 809 CD2 PHE B 165 64.340 60.398 55.900 1.00 0.00 C ATOM 810 CE1 PHE B 165 64.447 62.503 57.787 1.00 0.00 C ATOM 811 CE2 PHE B 165 63.282 60.559 56.812 1.00 0.00 C ATOM 812 CZ PHE B 165 63.350 61.610 57.759 1.00 0.00 C ATOM 0 HA PHE B 165 67.496 61.462 53.128 1.00 0.00 H new ATOM 0 HB2 PHE B 165 66.529 59.959 54.617 1.00 0.00 H new ATOM 0 HB3 PHE B 165 67.561 60.917 55.659 1.00 0.00 H new ATOM 0 HD1 PHE B 165 66.359 62.985 56.906 1.00 0.00 H new ATOM 0 HD2 PHE B 165 64.300 59.613 55.160 1.00 0.00 H new ATOM 0 HE1 PHE B 165 64.468 63.318 58.495 1.00 0.00 H new ATOM 0 HE2 PHE B 165 62.432 59.893 56.791 1.00 0.00 H new ATOM 0 HZ PHE B 165 62.549 61.732 58.473 1.00 0.00 H new ATOM 818 N LEU B 166 64.847 63.291 53.679 1.00 0.00 N ATOM 819 CA LEU B 166 63.574 63.730 53.054 1.00 0.00 C ATOM 820 C LEU B 166 63.788 64.437 51.695 1.00 0.00 C ATOM 821 O LEU B 166 63.135 64.004 50.731 1.00 0.00 O ATOM 822 CB LEU B 166 62.687 64.475 54.074 1.00 0.00 C ATOM 823 CG LEU B 166 61.292 64.828 53.535 1.00 0.00 C ATOM 824 CD1 LEU B 166 60.483 63.582 53.156 1.00 0.00 C ATOM 825 CD2 LEU B 166 60.536 65.642 54.587 1.00 0.00 C ATOM 0 H LEU B 166 65.099 63.808 54.522 1.00 0.00 H new ATOM 0 HA LEU B 166 62.997 62.848 52.776 1.00 0.00 H new ATOM 0 HB2 LEU B 166 62.577 63.858 54.966 1.00 0.00 H new ATOM 0 HB3 LEU B 166 63.191 65.391 54.380 1.00 0.00 H new ATOM 0 HG LEU B 166 61.423 65.415 52.626 1.00 0.00 H new ATOM 0 HD11 LEU B 166 59.505 63.883 52.781 1.00 0.00 H new ATOM 0 HD12 LEU B 166 61.013 63.026 52.383 1.00 0.00 H new ATOM 0 HD13 LEU B 166 60.355 62.950 54.035 1.00 0.00 H new ATOM 0 HD21 LEU B 166 59.545 65.895 54.209 1.00 0.00 H new ATOM 0 HD22 LEU B 166 60.437 65.054 55.500 1.00 0.00 H new ATOM 0 HD23 LEU B 166 61.086 66.558 54.803 1.00 0.00 H new ATOM 831 N PRO B 167 64.735 65.382 51.541 1.00 0.00 N ATOM 832 CA PRO B 167 65.185 65.840 50.208 1.00 0.00 C ATOM 833 C PRO B 167 65.670 64.673 49.334 1.00 0.00 C ATOM 834 O PRO B 167 65.173 64.558 48.218 1.00 0.00 O ATOM 835 CB PRO B 167 66.309 66.836 50.480 1.00 0.00 C ATOM 836 CG PRO B 167 65.914 67.444 51.820 1.00 0.00 C ATOM 837 CD PRO B 167 65.277 66.277 52.592 1.00 0.00 C ATOM 0 HA PRO B 167 64.367 66.295 49.650 1.00 0.00 H new ATOM 0 HB2 PRO B 167 67.280 66.344 50.531 1.00 0.00 H new ATOM 0 HB3 PRO B 167 66.376 67.592 49.698 1.00 0.00 H new ATOM 0 HG2 PRO B 167 66.781 67.844 52.347 1.00 0.00 H new ATOM 0 HG3 PRO B 167 65.211 68.267 51.692 1.00 0.00 H new ATOM 0 HD2 PRO B 167 66.013 65.762 53.210 1.00 0.00 H new ATOM 0 HD3 PRO B 167 64.489 66.627 53.259 1.00 0.00 H new ATOM 843 N SER B 168 66.481 63.773 49.889 1.00 0.00 N ATOM 844 CA SER B 168 66.934 62.529 49.213 1.00 0.00 C ATOM 845 C SER B 168 65.766 61.772 48.555 1.00 0.00 C ATOM 846 O SER B 168 65.802 61.562 47.343 1.00 0.00 O ATOM 847 CB SER B 168 67.651 61.546 50.157 1.00 0.00 C ATOM 848 OG SER B 168 68.825 62.115 50.746 1.00 0.00 O ATOM 0 H SER B 168 66.854 63.876 50.833 1.00 0.00 H new ATOM 0 HA SER B 168 67.639 62.875 48.457 1.00 0.00 H new ATOM 0 HB2 SER B 168 66.965 61.238 50.946 1.00 0.00 H new ATOM 0 HB3 SER B 168 67.924 60.648 49.603 1.00 0.00 H new ATOM 0 HG SER B 168 69.246 61.457 51.338 1.00 0.00 H new ATOM 854 N LEU B 169 64.714 61.499 49.321 1.00 0.00 N ATOM 855 CA LEU B 169 63.473 60.841 48.824 1.00 0.00 C ATOM 856 C LEU B 169 62.858 61.546 47.604 1.00 0.00 C ATOM 857 O LEU B 169 63.014 61.084 46.478 1.00 0.00 O ATOM 858 CB LEU B 169 62.452 60.732 49.967 1.00 0.00 C ATOM 859 CG LEU B 169 62.902 59.717 51.028 1.00 0.00 C ATOM 860 CD1 LEU B 169 62.098 59.908 52.314 1.00 0.00 C ATOM 861 CD2 LEU B 169 62.700 58.301 50.515 1.00 0.00 C ATOM 0 H LEU B 169 64.682 61.724 50.315 1.00 0.00 H new ATOM 0 HA LEU B 169 63.751 59.844 48.483 1.00 0.00 H new ATOM 0 HB2 LEU B 169 62.317 61.709 50.431 1.00 0.00 H new ATOM 0 HB3 LEU B 169 61.484 60.434 49.564 1.00 0.00 H new ATOM 0 HG LEU B 169 63.960 59.879 51.236 1.00 0.00 H new ATOM 0 HD11 LEU B 169 62.426 59.183 53.059 1.00 0.00 H new ATOM 0 HD12 LEU B 169 62.256 60.917 52.695 1.00 0.00 H new ATOM 0 HD13 LEU B 169 61.038 59.761 52.106 1.00 0.00 H new ATOM 0 HD21 LEU B 169 63.022 57.589 51.275 1.00 0.00 H new ATOM 0 HD22 LEU B 169 61.645 58.142 50.293 1.00 0.00 H new ATOM 0 HD23 LEU B 169 63.288 58.155 49.609 1.00 0.00 H new ATOM 867 N LEU B 170 62.474 62.808 47.827 1.00 0.00 N ATOM 868 CA LEU B 170 61.822 63.665 46.817 1.00 0.00 C ATOM 869 C LEU B 170 62.625 63.796 45.505 1.00 0.00 C ATOM 870 O LEU B 170 62.161 63.384 44.443 1.00 0.00 O ATOM 871 CB LEU B 170 61.523 65.017 47.468 1.00 0.00 C ATOM 872 CG LEU B 170 60.457 64.846 48.556 1.00 0.00 C ATOM 873 CD1 LEU B 170 60.624 65.888 49.655 1.00 0.00 C ATOM 874 CD2 LEU B 170 59.058 64.980 47.943 1.00 0.00 C ATOM 0 H LEU B 170 62.607 63.274 48.725 1.00 0.00 H new ATOM 0 HA LEU B 170 60.891 63.194 46.502 1.00 0.00 H new ATOM 0 HB2 LEU B 170 62.434 65.432 47.900 1.00 0.00 H new ATOM 0 HB3 LEU B 170 61.177 65.725 46.715 1.00 0.00 H new ATOM 0 HG LEU B 170 60.578 63.854 48.992 1.00 0.00 H new ATOM 0 HD11 LEU B 170 59.855 65.743 50.414 1.00 0.00 H new ATOM 0 HD12 LEU B 170 61.608 65.781 50.111 1.00 0.00 H new ATOM 0 HD13 LEU B 170 60.529 66.886 49.228 1.00 0.00 H new ATOM 0 HD21 LEU B 170 58.306 64.857 48.722 1.00 0.00 H new ATOM 0 HD22 LEU B 170 58.953 65.965 47.489 1.00 0.00 H new ATOM 0 HD23 LEU B 170 58.920 64.213 47.181 1.00 0.00 H new ATOM 880 N LEU B 171 63.897 64.161 45.661 1.00 0.00 N ATOM 881 CA LEU B 171 64.885 64.272 44.581 1.00 0.00 C ATOM 882 C LEU B 171 65.105 62.934 43.835 1.00 0.00 C ATOM 883 O LEU B 171 64.741 62.824 42.662 1.00 0.00 O ATOM 884 CB LEU B 171 66.168 64.830 45.215 1.00 0.00 C ATOM 885 CG LEU B 171 67.318 65.067 44.228 1.00 0.00 C ATOM 886 CD1 LEU B 171 67.845 66.494 44.380 1.00 0.00 C ATOM 887 CD2 LEU B 171 68.450 64.083 44.493 1.00 0.00 C ATOM 0 H LEU B 171 64.285 64.397 46.575 1.00 0.00 H new ATOM 0 HA LEU B 171 64.529 64.946 43.802 1.00 0.00 H new ATOM 0 HB2 LEU B 171 65.933 65.772 45.711 1.00 0.00 H new ATOM 0 HB3 LEU B 171 66.506 64.139 45.987 1.00 0.00 H new ATOM 0 HG LEU B 171 66.944 64.920 43.215 1.00 0.00 H new ATOM 0 HD11 LEU B 171 68.662 66.657 43.677 1.00 0.00 H new ATOM 0 HD12 LEU B 171 67.042 67.202 44.174 1.00 0.00 H new ATOM 0 HD13 LEU B 171 68.207 66.642 45.397 1.00 0.00 H new ATOM 0 HD21 LEU B 171 69.260 64.261 43.786 1.00 0.00 H new ATOM 0 HD22 LEU B 171 68.819 64.218 45.510 1.00 0.00 H new ATOM 0 HD23 LEU B 171 68.082 63.064 44.373 1.00 0.00 H new ATOM 893 N SER B 172 65.518 61.902 44.566 1.00 0.00 N ATOM 894 CA SER B 172 65.885 60.587 43.969 1.00 0.00 C ATOM 895 C SER B 172 64.736 59.846 43.279 1.00 0.00 C ATOM 896 O SER B 172 64.976 59.225 42.246 1.00 0.00 O ATOM 897 CB SER B 172 66.584 59.654 44.967 1.00 0.00 C ATOM 898 OG SER B 172 65.693 59.283 46.022 1.00 0.00 O ATOM 0 H SER B 172 65.613 61.936 45.581 1.00 0.00 H new ATOM 0 HA SER B 172 66.591 60.860 43.185 1.00 0.00 H new ATOM 0 HB2 SER B 172 66.937 58.761 44.451 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.461 60.150 45.383 1.00 0.00 H new ATOM 0 HG SER B 172 65.779 59.920 46.762 1.00 0.00 H new ATOM 904 N HIS B 173 63.518 59.915 43.823 1.00 0.00 N ATOM 905 CA HIS B 173 62.330 59.339 43.141 1.00 0.00 C ATOM 906 C HIS B 173 61.940 60.050 41.837 1.00 0.00 C ATOM 907 O HIS B 173 61.641 59.382 40.849 1.00 0.00 O ATOM 908 CB HIS B 173 61.136 59.255 44.092 1.00 0.00 C ATOM 909 CG HIS B 173 61.327 58.151 45.130 1.00 0.00 C ATOM 910 ND1 HIS B 173 62.078 58.229 46.226 1.00 0.00 N ATOM 911 CD2 HIS B 173 60.680 56.985 45.163 1.00 0.00 C ATOM 912 CE1 HIS B 173 61.885 57.119 46.936 1.00 0.00 C ATOM 913 NE2 HIS B 173 61.020 56.362 46.277 1.00 0.00 N ATOM 0 H HIS B 173 63.318 60.355 44.721 1.00 0.00 H new ATOM 0 HA HIS B 173 62.628 58.332 42.848 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.003 60.212 44.597 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.227 59.066 43.521 1.00 0.00 H new ATOM 0 HD1 HIS B 173 62.693 59.003 46.478 1.00 0.00 H new ATOM 0 HD2 HIS B 173 59.998 56.615 44.411 1.00 0.00 H new ATOM 0 HE1 HIS B 173 62.350 56.879 47.880 1.00 0.00 H new ATOM 0 HE2 HIS B 173 60.675 55.451 46.579 1.00 0.00 H new ATOM 918 N LEU B 174 62.018 61.376 41.817 1.00 0.00 N ATOM 919 CA LEU B 174 61.882 62.171 40.584 1.00 0.00 C ATOM 920 C LEU B 174 62.909 61.736 39.522 1.00 0.00 C ATOM 921 O LEU B 174 62.560 61.353 38.410 1.00 0.00 O ATOM 922 CB LEU B 174 62.056 63.662 40.863 1.00 0.00 C ATOM 923 CG LEU B 174 60.780 64.284 41.421 1.00 0.00 C ATOM 924 CD1 LEU B 174 61.137 65.581 42.137 1.00 0.00 C ATOM 925 CD2 LEU B 174 59.778 64.584 40.306 1.00 0.00 C ATOM 0 H LEU B 174 62.177 61.939 42.653 1.00 0.00 H new ATOM 0 HA LEU B 174 60.876 61.993 40.204 1.00 0.00 H new ATOM 0 HB2 LEU B 174 62.872 63.807 41.572 1.00 0.00 H new ATOM 0 HB3 LEU B 174 62.338 64.174 39.943 1.00 0.00 H new ATOM 0 HG LEU B 174 60.321 63.577 42.112 1.00 0.00 H new ATOM 0 HD11 LEU B 174 60.232 66.035 42.540 1.00 0.00 H new ATOM 0 HD12 LEU B 174 61.830 65.368 42.951 1.00 0.00 H new ATOM 0 HD13 LEU B 174 61.605 66.269 41.432 1.00 0.00 H new ATOM 0 HD21 LEU B 174 58.879 65.027 40.734 1.00 0.00 H new ATOM 0 HD22 LEU B 174 60.222 65.281 39.595 1.00 0.00 H new ATOM 0 HD23 LEU B 174 59.518 63.659 39.792 1.00 0.00 H new ATOM 931 N LEU B 175 64.170 61.684 39.959 1.00 0.00 N ATOM 932 CA LEU B 175 65.291 61.147 39.164 1.00 0.00 C ATOM 933 C LEU B 175 65.069 59.709 38.696 1.00 0.00 C ATOM 934 O LEU B 175 65.449 59.374 37.576 1.00 0.00 O ATOM 935 CB LEU B 175 66.605 61.261 39.944 1.00 0.00 C ATOM 936 CG LEU B 175 67.021 62.711 40.209 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.233 62.723 41.133 1.00 0.00 C ATOM 938 CD2 LEU B 175 67.384 63.437 38.908 1.00 0.00 C ATOM 0 H LEU B 175 64.450 62.015 40.882 1.00 0.00 H new ATOM 0 HA LEU B 175 65.349 61.758 38.263 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.503 60.739 40.895 1.00 0.00 H new ATOM 0 HB3 LEU B 175 67.396 60.758 39.388 1.00 0.00 H new ATOM 0 HG LEU B 175 66.178 63.227 40.669 1.00 0.00 H new ATOM 0 HD11 LEU B 175 68.534 63.753 41.325 1.00 0.00 H new ATOM 0 HD12 LEU B 175 67.977 62.238 42.075 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.056 62.187 40.661 1.00 0.00 H new ATOM 0 HD21 LEU B 175 67.674 64.463 39.133 1.00 0.00 H new ATOM 0 HD22 LEU B 175 68.214 62.923 38.424 1.00 0.00 H new ATOM 0 HD23 LEU B 175 66.522 63.442 38.241 1.00 0.00 H new ATOM 944 N ALA B 176 64.482 58.865 39.540 1.00 0.00 N ATOM 945 CA ALA B 176 64.070 57.491 39.181 1.00 0.00 C ATOM 946 C ALA B 176 63.018 57.417 38.062 1.00 0.00 C ATOM 947 O ALA B 176 63.233 56.698 37.088 1.00 0.00 O ATOM 948 CB ALA B 176 63.596 56.739 40.429 1.00 0.00 C ATOM 0 H ALA B 176 64.272 59.109 40.508 1.00 0.00 H new ATOM 0 HA ALA B 176 64.957 57.007 38.772 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.295 55.728 40.153 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.408 56.690 41.155 1.00 0.00 H new ATOM 0 HB3 ALA B 176 62.747 57.263 40.869 1.00 0.00 H new ATOM 954 N ILE B 177 61.954 58.220 38.147 1.00 0.00 N ATOM 955 CA ILE B 177 60.973 58.357 37.033 1.00 0.00 C ATOM 956 C ILE B 177 61.701 58.810 35.758 1.00 0.00 C ATOM 957 O ILE B 177 61.579 58.193 34.711 1.00 0.00 O ATOM 958 CB ILE B 177 59.829 59.347 37.328 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.247 59.195 38.738 1.00 0.00 C ATOM 960 CG2 ILE B 177 58.699 59.145 36.306 1.00 0.00 C ATOM 961 CD1 ILE B 177 58.578 60.483 39.245 1.00 0.00 C ATOM 0 H ILE B 177 61.738 58.789 38.966 1.00 0.00 H new ATOM 0 HA ILE B 177 60.520 57.374 36.906 1.00 0.00 H new ATOM 0 HB ILE B 177 60.256 60.347 37.255 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.517 58.386 38.740 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.042 58.908 39.426 1.00 0.00 H new ATOM 0 HG21 ILE B 177 57.890 59.845 36.515 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.082 59.322 35.301 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.323 58.124 36.377 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.184 60.318 40.248 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.312 61.288 39.272 1.00 0.00 H new ATOM 0 HD13 ILE B 177 57.763 60.758 38.575 1.00 0.00 H new ATOM 965 N GLY B 178 62.522 59.847 35.929 1.00 0.00 N ATOM 966 CA GLY B 178 63.420 60.398 34.902 1.00 0.00 C ATOM 967 C GLY B 178 64.267 59.312 34.211 1.00 0.00 C ATOM 968 O GLY B 178 64.166 59.131 33.002 1.00 0.00 O ATOM 0 H GLY B 178 62.585 60.347 36.816 1.00 0.00 H new ATOM 0 HA2 GLY B 178 62.829 60.924 34.152 1.00 0.00 H new ATOM 0 HA3 GLY B 178 64.082 61.133 35.360 1.00 0.00 H new ATOM 972 N LEU B 179 65.024 58.577 35.030 1.00 0.00 N ATOM 973 CA LEU B 179 65.794 57.386 34.639 1.00 0.00 C ATOM 974 C LEU B 179 64.958 56.432 33.764 1.00 0.00 C ATOM 975 O LEU B 179 65.298 56.246 32.596 1.00 0.00 O ATOM 976 CB LEU B 179 66.309 56.718 35.922 1.00 0.00 C ATOM 977 CG LEU B 179 67.037 55.374 35.735 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.304 55.520 34.892 1.00 0.00 C ATOM 979 CD2 LEU B 179 67.384 54.800 37.105 1.00 0.00 C ATOM 0 H LEU B 179 65.123 58.800 36.020 1.00 0.00 H new ATOM 0 HA LEU B 179 66.644 57.670 34.018 1.00 0.00 H new ATOM 0 HB2 LEU B 179 66.987 57.410 36.422 1.00 0.00 H new ATOM 0 HB3 LEU B 179 65.463 56.561 36.591 1.00 0.00 H new ATOM 0 HG LEU B 179 66.370 54.698 35.200 1.00 0.00 H new ATOM 0 HD11 LEU B 179 68.785 54.547 34.786 1.00 0.00 H new ATOM 0 HD12 LEU B 179 68.043 55.905 33.906 1.00 0.00 H new ATOM 0 HD13 LEU B 179 68.989 56.212 35.382 1.00 0.00 H new ATOM 0 HD21 LEU B 179 67.900 53.848 36.981 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.031 55.496 37.638 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.469 54.645 37.677 1.00 0.00 H new ATOM 985 N GLY B 180 63.778 56.070 34.271 1.00 0.00 N ATOM 986 CA GLY B 180 62.758 55.272 33.547 1.00 0.00 C ATOM 987 C GLY B 180 62.498 55.783 32.122 1.00 0.00 C ATOM 988 O GLY B 180 62.882 55.137 31.149 1.00 0.00 O ATOM 0 H GLY B 180 63.488 56.323 35.216 1.00 0.00 H new ATOM 0 HA2 GLY B 180 63.083 54.233 33.501 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.824 55.289 34.109 1.00 0.00 H new ATOM 992 N ILE B 181 62.015 57.019 32.035 1.00 0.00 N ATOM 993 CA ILE B 181 61.723 57.706 30.748 1.00 0.00 C ATOM 994 C ILE B 181 62.965 57.702 29.829 1.00 0.00 C ATOM 995 O ILE B 181 62.928 57.236 28.691 1.00 0.00 O ATOM 996 CB ILE B 181 61.252 59.167 30.969 1.00 0.00 C ATOM 997 CG1 ILE B 181 60.158 59.275 32.035 1.00 0.00 C ATOM 998 CG2 ILE B 181 60.706 59.723 29.647 1.00 0.00 C ATOM 999 CD1 ILE B 181 60.016 60.680 32.638 1.00 0.00 C ATOM 0 H ILE B 181 61.808 57.590 32.854 1.00 0.00 H new ATOM 0 HA ILE B 181 60.915 57.152 30.269 1.00 0.00 H new ATOM 0 HB ILE B 181 62.113 59.739 31.315 1.00 0.00 H new ATOM 0 HG12 ILE B 181 59.205 58.981 31.595 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.372 58.566 32.835 1.00 0.00 H new ATOM 0 HG21 ILE B 181 60.373 60.750 29.794 1.00 0.00 H new ATOM 0 HG22 ILE B 181 61.491 59.701 28.891 1.00 0.00 H new ATOM 0 HG23 ILE B 181 59.866 59.113 29.315 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.222 60.677 33.385 1.00 0.00 H new ATOM 0 HD12 ILE B 181 60.955 60.971 33.109 1.00 0.00 H new ATOM 0 HD13 ILE B 181 59.770 61.391 31.849 1.00 0.00 H new ATOM 1003 N TYR B 182 64.084 58.143 30.403 1.00 0.00 N ATOM 1004 CA TYR B 182 65.376 58.294 29.705 1.00 0.00 C ATOM 1005 C TYR B 182 65.957 56.988 29.132 1.00 0.00 C ATOM 1006 O TYR B 182 66.525 57.031 28.045 1.00 0.00 O ATOM 1007 CB TYR B 182 66.371 58.993 30.645 1.00 0.00 C ATOM 1008 CG TYR B 182 67.514 59.650 29.873 1.00 0.00 C ATOM 1009 CD1 TYR B 182 67.220 60.644 28.912 1.00 0.00 C ATOM 1010 CD2 TYR B 182 68.796 59.053 29.932 1.00 0.00 C ATOM 1011 CE1 TYR B 182 68.178 60.978 27.935 1.00 0.00 C ATOM 1012 CE2 TYR B 182 69.758 59.386 28.964 1.00 0.00 C ATOM 1013 CZ TYR B 182 69.424 60.319 27.957 1.00 0.00 C ATOM 1014 OH TYR B 182 70.264 60.460 26.908 1.00 0.00 O ATOM 0 H TYR B 182 64.126 58.413 31.386 1.00 0.00 H new ATOM 0 HA TYR B 182 65.191 58.907 28.823 1.00 0.00 H new ATOM 0 HB2 TYR B 182 65.848 59.748 31.232 1.00 0.00 H new ATOM 0 HB3 TYR B 182 66.778 58.267 31.349 1.00 0.00 H new ATOM 0 HD1 TYR B 182 66.264 61.146 28.927 1.00 0.00 H new ATOM 0 HD2 TYR B 182 69.033 58.347 30.715 1.00 0.00 H new ATOM 0 HE1 TYR B 182 67.962 61.724 27.184 1.00 0.00 H new ATOM 0 HE2 TYR B 182 70.739 58.935 28.989 1.00 0.00 H new ATOM 0 HH TYR B 182 71.082 59.946 27.073 1.00 0.00 H new ATOM 1019 N ILE B 183 65.735 55.847 29.800 1.00 0.00 N ATOM 1020 CA ILE B 183 66.091 54.510 29.266 1.00 0.00 C ATOM 1021 C ILE B 183 65.514 54.336 27.843 1.00 0.00 C ATOM 1022 O ILE B 183 66.284 54.191 26.889 1.00 0.00 O ATOM 1023 CB ILE B 183 65.633 53.365 30.203 1.00 0.00 C ATOM 1024 CG1 ILE B 183 66.317 53.487 31.571 1.00 0.00 C ATOM 1025 CG2 ILE B 183 65.937 51.979 29.607 1.00 0.00 C ATOM 1026 CD1 ILE B 183 65.594 52.731 32.700 1.00 0.00 C ATOM 0 H ILE B 183 65.305 55.817 30.724 1.00 0.00 H new ATOM 0 HA ILE B 183 67.178 54.451 29.213 1.00 0.00 H new ATOM 0 HB ILE B 183 64.553 53.459 30.319 1.00 0.00 H new ATOM 0 HG12 ILE B 183 67.337 53.111 31.491 1.00 0.00 H new ATOM 0 HG13 ILE B 183 66.386 54.541 31.839 1.00 0.00 H new ATOM 0 HG21 ILE B 183 65.600 51.205 30.296 1.00 0.00 H new ATOM 0 HG22 ILE B 183 65.416 51.870 28.656 1.00 0.00 H new ATOM 0 HG23 ILE B 183 67.011 51.879 29.447 1.00 0.00 H new ATOM 0 HD11 ILE B 183 66.138 52.866 33.635 1.00 0.00 H new ATOM 0 HD12 ILE B 183 64.582 53.122 32.810 1.00 0.00 H new ATOM 0 HD13 ILE B 183 65.549 51.670 32.456 1.00 0.00 H new