USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 170 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 173 HIS : no HD1:sc= 0.412 K(o=2.1,f=-1.9) USER MOD Set 1.2: B 172 SER OG : rot -54:sc= 1.7 USER MOD Set 2.1: A 172 SER OG : rot -19:sc= 2.11 USER MOD Set 2.2: B 173 HIS : no HD1:sc= 0.623 K(o=2.7,f=-8.3!) 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 66.277 50.357 53.568 1.00 0.00 N ATOM 261 CA LEU A 166 66.887 50.083 52.246 1.00 0.00 C ATOM 262 C LEU A 166 65.959 49.310 51.284 1.00 0.00 C ATOM 263 O LEU A 166 65.628 49.930 50.270 1.00 0.00 O ATOM 264 CB LEU A 166 68.311 49.512 52.298 1.00 0.00 C ATOM 265 CG LEU A 166 69.372 50.584 52.568 1.00 0.00 C ATOM 266 CD1 LEU A 166 70.733 49.912 52.765 1.00 0.00 C ATOM 267 CD2 LEU A 166 69.475 51.581 51.414 1.00 0.00 C ATOM 0 HA LEU A 166 67.010 51.074 51.809 1.00 0.00 H new ATOM 0 HB2 LEU A 166 68.364 48.751 53.076 1.00 0.00 H new ATOM 0 HB3 LEU A 166 68.534 49.017 51.353 1.00 0.00 H new ATOM 0 HG LEU A 166 69.077 51.128 53.465 1.00 0.00 H new ATOM 0 HD11 LEU A 166 71.490 50.672 52.957 1.00 0.00 H new ATOM 0 HD12 LEU A 166 70.682 49.228 53.612 1.00 0.00 H new ATOM 0 HD13 LEU A 166 70.998 49.356 51.866 1.00 0.00 H new ATOM 0 HD21 LEU A 166 70.238 52.325 51.643 1.00 0.00 H new ATOM 0 HD22 LEU A 166 69.746 51.053 50.500 1.00 0.00 H new ATOM 0 HD23 LEU A 166 68.514 52.077 51.275 1.00 0.00 H new ATOM 273 N PRO A 167 65.402 48.136 51.616 1.00 0.00 N ATOM 274 CA PRO A 167 64.435 47.420 50.743 1.00 0.00 C ATOM 275 C PRO A 167 63.324 48.306 50.178 1.00 0.00 C ATOM 276 O PRO A 167 63.243 48.456 48.954 1.00 0.00 O ATOM 277 CB PRO A 167 63.869 46.301 51.617 1.00 0.00 C ATOM 278 CG PRO A 167 65.043 45.951 52.515 1.00 0.00 C ATOM 279 CD PRO A 167 65.696 47.310 52.807 1.00 0.00 C ATOM 0 HA PRO A 167 64.939 47.048 49.851 1.00 0.00 H new ATOM 0 HB2 PRO A 167 63.005 46.634 52.192 1.00 0.00 H new ATOM 0 HB3 PRO A 167 63.546 45.447 51.022 1.00 0.00 H new ATOM 0 HG2 PRO A 167 64.714 45.460 53.431 1.00 0.00 H new ATOM 0 HG3 PRO A 167 65.737 45.271 52.020 1.00 0.00 H new ATOM 0 HD2 PRO A 167 65.285 47.760 53.711 1.00 0.00 H new ATOM 0 HD3 PRO A 167 66.770 47.207 52.962 1.00 0.00 H new ATOM 285 N SER A 168 62.626 49.047 51.046 1.00 0.00 N ATOM 286 CA SER A 168 61.515 49.924 50.635 1.00 0.00 C ATOM 287 C SER A 168 61.967 51.104 49.756 1.00 0.00 C ATOM 288 O SER A 168 61.409 51.305 48.669 1.00 0.00 O ATOM 289 CB SER A 168 60.729 50.419 51.846 1.00 0.00 C ATOM 290 OG SER A 168 61.606 51.037 52.786 1.00 0.00 O ATOM 0 H SER A 168 62.811 49.059 52.049 1.00 0.00 H new ATOM 0 HA SER A 168 60.858 49.312 50.017 1.00 0.00 H new ATOM 0 HB2 SER A 168 59.967 51.130 51.528 1.00 0.00 H new ATOM 0 HB3 SER A 168 60.210 49.584 52.317 1.00 0.00 H new ATOM 0 HG SER A 168 61.090 51.352 53.557 1.00 0.00 H new ATOM 296 N LEU A 169 63.029 51.787 50.184 1.00 0.00 N ATOM 297 CA LEU A 169 63.713 52.844 49.395 1.00 0.00 C ATOM 298 C LEU A 169 64.058 52.340 47.977 1.00 0.00 C ATOM 299 O LEU A 169 63.362 52.702 47.027 1.00 0.00 O ATOM 300 CB LEU A 169 64.967 53.289 50.158 1.00 0.00 C ATOM 301 CG LEU A 169 65.602 54.535 49.521 1.00 0.00 C ATOM 302 CD1 LEU A 169 64.870 55.812 49.961 1.00 0.00 C ATOM 303 CD2 LEU A 169 67.094 54.595 49.841 1.00 0.00 C ATOM 0 H LEU A 169 63.453 51.629 51.098 1.00 0.00 H new ATOM 0 HA LEU A 169 63.049 53.699 49.269 1.00 0.00 H new ATOM 0 HB2 LEU A 169 64.707 53.502 51.195 1.00 0.00 H new ATOM 0 HB3 LEU A 169 65.693 52.476 50.172 1.00 0.00 H new ATOM 0 HG LEU A 169 65.498 54.464 48.438 1.00 0.00 H new ATOM 0 HD11 LEU A 169 65.339 56.679 49.496 1.00 0.00 H new ATOM 0 HD12 LEU A 169 63.826 55.757 49.654 1.00 0.00 H new ATOM 0 HD13 LEU A 169 64.925 55.908 51.045 1.00 0.00 H new ATOM 0 HD21 LEU A 169 67.529 55.483 49.383 1.00 0.00 H new ATOM 0 HD22 LEU A 169 67.233 54.639 50.921 1.00 0.00 H new ATOM 0 HD23 LEU A 169 67.587 53.706 49.448 1.00 0.00 H new ATOM 309 N LEU A 170 64.837 51.259 47.920 1.00 0.00 N ATOM 310 CA LEU A 170 65.284 50.606 46.663 1.00 0.00 C ATOM 311 C LEU A 170 64.112 50.235 45.737 1.00 0.00 C ATOM 312 O LEU A 170 64.069 50.647 44.583 1.00 0.00 O ATOM 313 CB LEU A 170 66.102 49.343 46.954 1.00 0.00 C ATOM 314 CG LEU A 170 67.396 49.589 47.730 1.00 0.00 C ATOM 315 CD1 LEU A 170 68.019 48.239 48.078 1.00 0.00 C ATOM 316 CD2 LEU A 170 68.395 50.477 46.976 1.00 0.00 C ATOM 0 H LEU A 170 65.189 50.794 48.757 1.00 0.00 H new ATOM 0 HA LEU A 170 65.906 51.341 46.152 1.00 0.00 H new ATOM 0 HB2 LEU A 170 65.482 48.646 47.518 1.00 0.00 H new ATOM 0 HB3 LEU A 170 66.347 48.858 46.009 1.00 0.00 H new ATOM 0 HG LEU A 170 67.146 50.138 48.638 1.00 0.00 H new ATOM 0 HD11 LEU A 170 68.944 48.397 48.632 1.00 0.00 H new ATOM 0 HD12 LEU A 170 67.323 47.664 48.689 1.00 0.00 H new ATOM 0 HD13 LEU A 170 68.235 47.691 47.161 1.00 0.00 H new ATOM 0 HD21 LEU A 170 69.291 50.612 47.582 1.00 0.00 H new ATOM 0 HD22 LEU A 170 68.663 50.003 46.032 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.941 51.448 46.778 1.00 0.00 H new ATOM 322 N LEU A 171 63.139 49.514 46.291 1.00 0.00 N ATOM 323 CA LEU A 171 61.900 49.113 45.590 1.00 0.00 C ATOM 324 C LEU A 171 61.147 50.322 45.004 1.00 0.00 C ATOM 325 O LEU A 171 60.869 50.348 43.804 1.00 0.00 O ATOM 326 CB LEU A 171 61.021 48.294 46.554 1.00 0.00 C ATOM 327 CG LEU A 171 59.639 47.932 45.988 1.00 0.00 C ATOM 328 CD1 LEU A 171 59.725 47.040 44.741 1.00 0.00 C ATOM 329 CD2 LEU A 171 58.792 47.246 47.061 1.00 0.00 C ATOM 0 H LEU A 171 63.181 49.182 47.255 1.00 0.00 H new ATOM 0 HA LEU A 171 62.164 48.490 44.735 1.00 0.00 H new ATOM 0 HB2 LEU A 171 61.546 47.376 46.816 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.887 48.859 47.476 1.00 0.00 H new ATOM 0 HG LEU A 171 59.166 48.866 45.685 1.00 0.00 H new ATOM 0 HD11 LEU A 171 58.720 46.816 44.384 1.00 0.00 H new ATOM 0 HD12 LEU A 171 60.280 47.559 43.960 1.00 0.00 H new ATOM 0 HD13 LEU A 171 60.236 46.111 44.993 1.00 0.00 H new ATOM 0 HD21 LEU A 171 57.815 46.994 46.648 1.00 0.00 H new ATOM 0 HD22 LEU A 171 59.292 46.335 47.392 1.00 0.00 H new ATOM 0 HD23 LEU A 171 58.665 47.919 47.909 1.00 0.00 H new ATOM 335 N SER A 172 60.896 51.325 45.839 1.00 0.00 N ATOM 336 CA SER A 172 60.214 52.568 45.413 1.00 0.00 C ATOM 337 C SER A 172 60.923 53.287 44.261 1.00 0.00 C ATOM 338 O SER A 172 60.266 53.653 43.295 1.00 0.00 O ATOM 339 CB SER A 172 59.929 53.511 46.587 1.00 0.00 C ATOM 340 OG SER A 172 61.115 54.084 47.147 1.00 0.00 O ATOM 0 H SER A 172 61.153 51.312 46.826 1.00 0.00 H new ATOM 0 HA SER A 172 59.250 52.248 45.018 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.270 54.311 46.251 1.00 0.00 H new ATOM 0 HB3 SER A 172 59.395 52.964 47.364 1.00 0.00 H new ATOM 0 HG SER A 172 61.893 53.551 46.881 1.00 0.00 H new ATOM 346 N HIS A 173 62.261 53.321 44.289 1.00 0.00 N ATOM 347 CA HIS A 173 63.063 53.820 43.157 1.00 0.00 C ATOM 348 C HIS A 173 62.910 52.987 41.870 1.00 0.00 C ATOM 349 O HIS A 173 62.597 53.546 40.822 1.00 0.00 O ATOM 350 CB HIS A 173 64.543 53.934 43.531 1.00 0.00 C ATOM 351 CG HIS A 173 64.784 55.101 44.484 1.00 0.00 C ATOM 352 ND1 HIS A 173 64.944 55.014 45.800 1.00 0.00 N ATOM 353 CD2 HIS A 173 64.728 56.389 44.164 1.00 0.00 C ATOM 354 CE1 HIS A 173 64.974 56.247 46.291 1.00 0.00 C ATOM 355 NE2 HIS A 173 64.833 57.100 45.280 1.00 0.00 N ATOM 0 H HIS A 173 62.816 53.008 45.085 1.00 0.00 H new ATOM 0 HA HIS A 173 62.665 54.811 42.939 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.875 53.006 43.997 1.00 0.00 H new ATOM 0 HB3 HIS A 173 65.139 54.069 42.629 1.00 0.00 H new ATOM 0 HD2 HIS A 173 64.616 56.789 43.167 1.00 0.00 H new ATOM 0 HE1 HIS A 173 65.092 56.512 47.331 1.00 0.00 H new ATOM 0 HE2 HIS A 173 64.810 58.117 45.350 1.00 0.00 H new ATOM 360 N LEU A 174 63.018 51.671 41.994 1.00 0.00 N ATOM 361 CA LEU A 174 62.851 50.727 40.868 1.00 0.00 C ATOM 362 C LEU A 174 61.464 50.844 40.204 1.00 0.00 C ATOM 363 O LEU A 174 61.370 51.000 38.982 1.00 0.00 O ATOM 364 CB LEU A 174 63.145 49.303 41.340 1.00 0.00 C ATOM 365 CG LEU A 174 63.456 48.350 40.174 1.00 0.00 C ATOM 366 CD1 LEU A 174 64.768 48.711 39.476 1.00 0.00 C ATOM 367 CD2 LEU A 174 63.500 46.911 40.681 1.00 0.00 C ATOM 0 H LEU A 174 63.225 51.213 42.881 1.00 0.00 H new ATOM 0 HA LEU A 174 63.571 50.990 40.093 1.00 0.00 H new ATOM 0 HB2 LEU A 174 63.990 49.319 42.028 1.00 0.00 H new ATOM 0 HB3 LEU A 174 62.288 48.924 41.897 1.00 0.00 H new ATOM 0 HG LEU A 174 62.660 48.451 39.436 1.00 0.00 H new ATOM 0 HD11 LEU A 174 64.949 48.013 38.659 1.00 0.00 H new ATOM 0 HD12 LEU A 174 64.703 49.724 39.080 1.00 0.00 H new ATOM 0 HD13 LEU A 174 65.588 48.653 40.191 1.00 0.00 H new ATOM 0 HD21 LEU A 174 63.721 46.239 39.851 1.00 0.00 H new ATOM 0 HD22 LEU A 174 64.276 46.816 41.441 1.00 0.00 H new ATOM 0 HD23 LEU A 174 62.535 46.648 41.114 1.00 0.00 H new ATOM 373 N LEU A 175 60.418 50.911 41.021 1.00 0.00 N ATOM 374 CA LEU A 175 59.042 51.170 40.549 1.00 0.00 C ATOM 375 C LEU A 175 58.834 52.563 39.938 1.00 0.00 C ATOM 376 O LEU A 175 58.054 52.705 39.000 1.00 0.00 O ATOM 377 CB LEU A 175 58.002 50.916 41.646 1.00 0.00 C ATOM 378 CG LEU A 175 57.757 49.417 41.882 1.00 0.00 C ATOM 379 CD1 LEU A 175 56.768 49.255 43.040 1.00 0.00 C ATOM 380 CD2 LEU A 175 57.185 48.716 40.640 1.00 0.00 C ATOM 0 H LEU A 175 60.489 50.789 42.031 1.00 0.00 H new ATOM 0 HA LEU A 175 58.893 50.453 39.742 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.337 51.378 42.575 1.00 0.00 H new ATOM 0 HB3 LEU A 175 57.063 51.397 41.372 1.00 0.00 H new ATOM 0 HG LEU A 175 58.717 48.955 42.112 1.00 0.00 H new ATOM 0 HD11 LEU A 175 56.586 48.195 43.217 1.00 0.00 H new ATOM 0 HD12 LEU A 175 57.184 49.707 43.940 1.00 0.00 H new ATOM 0 HD13 LEU A 175 55.829 49.747 42.788 1.00 0.00 H new ATOM 0 HD21 LEU A 175 57.030 47.659 40.858 1.00 0.00 H new ATOM 0 HD22 LEU A 175 56.234 49.174 40.369 1.00 0.00 H new ATOM 0 HD23 LEU A 175 57.885 48.816 39.811 1.00 0.00 H new ATOM 386 N ALA A 176 59.516 53.565 40.491 1.00 0.00 N ATOM 387 CA ALA A 176 59.559 54.927 39.924 1.00 0.00 C ATOM 388 C ALA A 176 60.192 54.959 38.514 1.00 0.00 C ATOM 389 O ALA A 176 59.648 55.585 37.608 1.00 0.00 O ATOM 390 CB ALA A 176 60.292 55.856 40.888 1.00 0.00 C ATOM 0 H ALA A 176 60.059 53.462 41.348 1.00 0.00 H new ATOM 0 HA ALA A 176 58.534 55.277 39.801 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.324 56.862 40.470 1.00 0.00 H new ATOM 0 HB2 ALA A 176 59.767 55.877 41.843 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.309 55.494 41.040 1.00 0.00 H new ATOM 396 N ILE A 177 61.284 54.206 38.329 1.00 0.00 N ATOM 397 CA ILE A 177 61.885 53.949 36.996 1.00 0.00 C ATOM 398 C ILE A 177 60.836 53.262 36.099 1.00 0.00 C ATOM 399 O ILE A 177 60.537 53.769 35.015 1.00 0.00 O ATOM 400 CB ILE A 177 63.178 53.118 37.072 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.186 53.751 38.043 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.835 53.022 35.688 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.249 52.776 38.566 1.00 0.00 C ATOM 0 H ILE A 177 61.783 53.753 39.095 1.00 0.00 H new ATOM 0 HA ILE A 177 62.174 54.907 36.565 1.00 0.00 H new ATOM 0 HB ILE A 177 62.905 52.125 37.428 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.685 54.581 37.542 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.644 54.170 38.891 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.748 52.431 35.759 1.00 0.00 H new ATOM 0 HG22 ILE A 177 63.147 52.544 34.991 1.00 0.00 H new ATOM 0 HG23 ILE A 177 64.077 54.023 35.330 1.00 0.00 H new ATOM 0 HD11 ILE A 177 65.921 53.301 39.245 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.762 51.958 39.097 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.819 52.376 37.728 1.00 0.00 H new ATOM 407 N GLY A 178 60.201 52.202 36.617 1.00 0.00 N ATOM 408 CA GLY A 178 59.079 51.484 35.968 1.00 0.00 C ATOM 409 C GLY A 178 57.981 52.432 35.433 1.00 0.00 C ATOM 410 O GLY A 178 57.698 52.445 34.235 1.00 0.00 O ATOM 0 H GLY A 178 60.455 51.805 37.522 1.00 0.00 H new ATOM 0 HA2 GLY A 178 59.467 50.885 35.144 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.636 50.792 36.684 1.00 0.00 H new ATOM 414 N LEU A 179 57.466 53.254 36.338 1.00 0.00 N ATOM 415 CA LEU A 179 56.561 54.381 36.048 1.00 0.00 C ATOM 416 C LEU A 179 57.041 55.240 34.855 1.00 0.00 C ATOM 417 O LEU A 179 56.354 55.305 33.834 1.00 0.00 O ATOM 418 CB LEU A 179 56.421 55.232 37.329 1.00 0.00 C ATOM 419 CG LEU A 179 55.518 56.457 37.147 1.00 0.00 C ATOM 420 CD1 LEU A 179 54.066 56.062 36.901 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.642 57.359 38.366 1.00 0.00 C ATOM 0 H LEU A 179 57.669 53.159 37.333 1.00 0.00 H new ATOM 0 HA LEU A 179 55.591 53.983 35.751 1.00 0.00 H new ATOM 0 HB2 LEU A 179 56.020 54.609 38.129 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.410 55.562 37.647 1.00 0.00 H new ATOM 0 HG LEU A 179 55.847 57.000 36.261 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.461 56.960 36.777 1.00 0.00 H new ATOM 0 HD12 LEU A 179 54.002 55.454 35.998 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.696 55.489 37.751 1.00 0.00 H new ATOM 0 HD21 LEU A 179 55.001 58.231 38.240 1.00 0.00 H new ATOM 0 HD22 LEU A 179 55.337 56.810 39.257 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.677 57.682 38.476 1.00 0.00 H new ATOM 427 N GLY A 180 58.260 55.744 34.973 1.00 0.00 N ATOM 428 CA GLY A 180 58.930 56.520 33.910 1.00 0.00 C ATOM 429 C GLY A 180 58.953 55.809 32.543 1.00 0.00 C ATOM 430 O GLY A 180 58.581 56.400 31.538 1.00 0.00 O ATOM 0 H GLY A 180 58.828 55.631 35.813 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.426 57.480 33.801 1.00 0.00 H new ATOM 0 HA3 GLY A 180 59.954 56.730 34.217 1.00 0.00 H new ATOM 434 N ILE A 181 59.353 54.530 32.553 1.00 0.00 N ATOM 435 CA ILE A 181 59.420 53.697 31.330 1.00 0.00 C ATOM 436 C ILE A 181 58.035 53.640 30.650 1.00 0.00 C ATOM 437 O ILE A 181 57.907 53.982 29.477 1.00 0.00 O ATOM 438 CB ILE A 181 59.961 52.273 31.607 1.00 0.00 C ATOM 439 CG1 ILE A 181 61.321 52.302 32.325 1.00 0.00 C ATOM 440 CG2 ILE A 181 60.136 51.532 30.286 1.00 0.00 C ATOM 441 CD1 ILE A 181 61.636 51.010 33.081 1.00 0.00 C ATOM 0 H ILE A 181 59.639 54.040 33.401 1.00 0.00 H new ATOM 0 HA ILE A 181 60.131 54.170 30.653 1.00 0.00 H new ATOM 0 HB ILE A 181 59.239 51.770 32.250 1.00 0.00 H new ATOM 0 HG12 ILE A 181 62.107 52.486 31.592 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.336 53.137 33.025 1.00 0.00 H new ATOM 0 HG21 ILE A 181 60.517 50.529 30.479 1.00 0.00 H new ATOM 0 HG22 ILE A 181 59.174 51.463 29.777 1.00 0.00 H new ATOM 0 HG23 ILE A 181 60.842 52.073 29.656 1.00 0.00 H new ATOM 0 HD11 ILE A 181 62.609 51.099 33.564 1.00 0.00 H new ATOM 0 HD12 ILE A 181 60.871 50.835 33.837 1.00 0.00 H new ATOM 0 HD13 ILE A 181 61.653 50.174 32.382 1.00 0.00 H new ATOM 445 N TYR A 182 57.028 53.308 31.458 1.00 0.00 N ATOM 446 CA TYR A 182 55.625 53.297 31.018 1.00 0.00 C ATOM 447 C TYR A 182 55.198 54.629 30.393 1.00 0.00 C ATOM 448 O TYR A 182 54.937 54.641 29.193 1.00 0.00 O ATOM 449 CB TYR A 182 54.685 52.871 32.157 1.00 0.00 C ATOM 450 CG TYR A 182 53.309 52.489 31.583 1.00 0.00 C ATOM 451 CD1 TYR A 182 53.195 51.297 30.843 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.271 53.449 31.630 1.00 0.00 C ATOM 453 CE1 TYR A 182 52.023 51.082 30.077 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.099 53.214 30.877 1.00 0.00 C ATOM 455 CZ TYR A 182 50.998 52.036 30.122 1.00 0.00 C ATOM 456 OH TYR A 182 49.852 51.817 29.435 1.00 0.00 O ATOM 0 H TYR A 182 57.157 53.039 32.434 1.00 0.00 H new ATOM 0 HA TYR A 182 55.545 52.549 30.229 1.00 0.00 H new ATOM 0 HB2 TYR A 182 55.112 52.025 32.696 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.577 53.684 32.875 1.00 0.00 H new ATOM 0 HD1 TYR A 182 53.985 50.561 30.859 1.00 0.00 H new ATOM 0 HD2 TYR A 182 52.372 54.342 32.229 1.00 0.00 H new ATOM 0 HE1 TYR A 182 51.921 50.196 29.468 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.292 53.931 30.883 1.00 0.00 H new ATOM 0 HH TYR A 182 49.241 52.571 29.570 1.00 0.00 H new ATOM 461 N ILE A 183 55.371 55.746 31.107 1.00 0.00 N ATOM 462 CA ILE A 183 55.035 57.095 30.600 1.00 0.00 C ATOM 463 C ILE A 183 55.722 57.374 29.250 1.00 0.00 C ATOM 464 O ILE A 183 55.040 57.540 28.244 1.00 0.00 O ATOM 465 CB ILE A 183 55.379 58.223 31.606 1.00 0.00 C ATOM 466 CG1 ILE A 183 54.820 57.950 33.010 1.00 0.00 C ATOM 467 CG2 ILE A 183 54.827 59.569 31.106 1.00 0.00 C ATOM 468 CD1 ILE A 183 55.570 58.733 34.094 1.00 0.00 C ATOM 0 H ILE A 183 55.748 55.748 32.055 1.00 0.00 H new ATOM 0 HA ILE A 183 53.954 57.098 30.461 1.00 0.00 H new ATOM 0 HB ILE A 183 56.466 58.258 31.675 1.00 0.00 H new ATOM 0 HG12 ILE A 183 53.763 58.217 33.037 1.00 0.00 H new ATOM 0 HG13 ILE A 183 54.885 56.883 33.224 1.00 0.00 H new ATOM 0 HG21 ILE A 183 55.075 60.353 31.822 1.00 0.00 H new ATOM 0 HG22 ILE A 183 55.270 59.807 30.139 1.00 0.00 H new ATOM 0 HG23 ILE A 183 53.744 59.502 31.003 1.00 0.00 H new ATOM 0 HD11 ILE A 183 55.139 58.508 35.070 1.00 0.00 H new ATOM 0 HD12 ILE A 183 56.622 58.447 34.087 1.00 0.00 H new ATOM 0 HD13 ILE A 183 55.483 59.802 33.897 1.00 0.00 H new ATOM 472 N GLY A 184 57.054 57.250 29.250 1.00 0.00 N ATOM 473 CA GLY A 184 57.921 57.455 28.060 1.00 0.00 C ATOM 474 C GLY A 184 57.379 56.734 26.817 1.00 0.00 C ATOM 475 O GLY A 184 56.909 57.377 25.869 1.00 0.00 O ATOM 0 H GLY A 184 57.580 57.000 30.088 1.00 0.00 H new ATOM 0 HA2 GLY A 184 58.004 58.522 27.852 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.926 57.094 28.278 1.00 0.00 H new ATOM 479 N ARG A 185 57.238 55.425 26.972 1.00 0.00 N ATOM 480 CA ARG A 185 56.718 54.543 25.903 1.00 0.00 C ATOM 481 C ARG A 185 55.253 54.795 25.525 1.00 0.00 C ATOM 482 O ARG A 185 54.970 55.095 24.367 1.00 0.00 O ATOM 483 CB ARG A 185 56.926 53.076 26.290 1.00 0.00 C ATOM 484 CG ARG A 185 57.832 52.398 25.274 1.00 0.00 C ATOM 485 CD ARG A 185 57.176 52.248 23.892 1.00 0.00 C ATOM 486 NE ARG A 185 56.194 51.137 23.903 1.00 0.00 N ATOM 487 CZ ARG A 185 56.318 49.986 23.237 1.00 0.00 C ATOM 488 NH1 ARG A 185 57.340 49.735 22.419 1.00 0.00 N ATOM 489 NH2 ARG A 185 55.354 49.080 23.379 1.00 0.00 N ATOM 0 H ARG A 185 57.476 54.933 27.833 1.00 0.00 H new ATOM 0 HA ARG A 185 57.292 54.786 25.009 1.00 0.00 H new ATOM 0 HB2 ARG A 185 57.368 53.012 27.284 1.00 0.00 H new ATOM 0 HB3 ARG A 185 55.966 52.562 26.334 1.00 0.00 H new ATOM 0 HG2 ARG A 185 58.751 52.975 25.173 1.00 0.00 H new ATOM 0 HG3 ARG A 185 58.113 51.413 25.646 1.00 0.00 H new ATOM 0 HD2 ARG A 185 56.679 53.178 23.615 1.00 0.00 H new ATOM 0 HD3 ARG A 185 57.940 52.059 23.138 1.00 0.00 H new ATOM 0 HE ARG A 185 55.353 51.262 24.467 1.00 0.00 H new ATOM 0 HH11 ARG A 185 58.068 50.437 22.282 1.00 0.00 H new ATOM 0 HH12 ARG A 185 57.394 48.841 21.930 1.00 0.00 H new ATOM 0 HH21 ARG A 185 54.554 49.276 23.981 1.00 0.00 H new ATOM 0 HH22 ARG A 185 55.415 48.189 22.886 1.00 0.00 H new ATOM 802 N PHE B 165 66.300 64.251 54.382 1.00 0.00 N ATOM 803 CA PHE B 165 65.401 63.100 54.163 1.00 0.00 C ATOM 804 C PHE B 165 64.334 63.281 53.062 1.00 0.00 C ATOM 805 O PHE B 165 64.508 62.755 51.965 1.00 0.00 O ATOM 806 CB PHE B 165 64.811 62.666 55.513 1.00 0.00 C ATOM 807 CG PHE B 165 63.821 61.499 55.420 1.00 0.00 C ATOM 808 CD1 PHE B 165 64.242 60.239 54.936 1.00 0.00 C ATOM 809 CD2 PHE B 165 62.476 61.708 55.828 1.00 0.00 C ATOM 810 CE1 PHE B 165 63.313 59.176 54.862 1.00 0.00 C ATOM 811 CE2 PHE B 165 61.550 60.655 55.731 1.00 0.00 C ATOM 812 CZ PHE B 165 61.980 59.399 55.245 1.00 0.00 C ATOM 0 HA PHE B 165 66.012 62.296 53.752 1.00 0.00 H new ATOM 0 HB2 PHE B 165 65.626 62.384 56.179 1.00 0.00 H new ATOM 0 HB3 PHE B 165 64.308 63.519 55.968 1.00 0.00 H new ATOM 0 HD1 PHE B 165 65.265 60.090 54.625 1.00 0.00 H new ATOM 0 HD2 PHE B 165 62.167 62.670 56.210 1.00 0.00 H new ATOM 0 HE1 PHE B 165 63.625 58.202 54.514 1.00 0.00 H new ATOM 0 HE2 PHE B 165 60.521 60.804 56.025 1.00 0.00 H new ATOM 0 HZ PHE B 165 61.267 58.592 55.166 1.00 0.00 H new ATOM 818 N LEU B 166 63.325 64.109 53.327 1.00 0.00 N ATOM 819 CA LEU B 166 62.269 64.391 52.333 1.00 0.00 C ATOM 820 C LEU B 166 62.767 64.915 50.972 1.00 0.00 C ATOM 821 O LEU B 166 62.403 64.302 49.976 1.00 0.00 O ATOM 822 CB LEU B 166 61.140 65.243 52.946 1.00 0.00 C ATOM 823 CG LEU B 166 59.792 64.585 52.683 1.00 0.00 C ATOM 824 CD1 LEU B 166 59.617 63.349 53.576 1.00 0.00 C ATOM 825 CD2 LEU B 166 58.657 65.583 52.879 1.00 0.00 C ATOM 0 H LEU B 166 63.209 64.598 54.214 1.00 0.00 H new ATOM 0 HA LEU B 166 61.846 63.420 52.074 1.00 0.00 H new ATOM 0 HB2 LEU B 166 61.297 65.353 54.019 1.00 0.00 H new ATOM 0 HB3 LEU B 166 61.155 66.245 52.517 1.00 0.00 H new ATOM 0 HG LEU B 166 59.761 64.254 51.645 1.00 0.00 H new ATOM 0 HD11 LEU B 166 58.649 62.890 53.376 1.00 0.00 H new ATOM 0 HD12 LEU B 166 60.410 62.631 53.364 1.00 0.00 H new ATOM 0 HD13 LEU B 166 59.668 63.647 54.623 1.00 0.00 H new ATOM 0 HD21 LEU B 166 57.703 65.092 52.686 1.00 0.00 H new ATOM 0 HD22 LEU B 166 58.673 65.955 53.903 1.00 0.00 H new ATOM 0 HD23 LEU B 166 58.782 66.417 52.188 1.00 0.00 H new ATOM 831 N PRO B 167 63.671 65.923 50.905 1.00 0.00 N ATOM 832 CA PRO B 167 64.337 66.320 49.642 1.00 0.00 C ATOM 833 C PRO B 167 65.076 65.156 48.961 1.00 0.00 C ATOM 834 O PRO B 167 64.792 64.867 47.807 1.00 0.00 O ATOM 835 CB PRO B 167 65.318 67.422 50.020 1.00 0.00 C ATOM 836 CG PRO B 167 64.623 68.083 51.196 1.00 0.00 C ATOM 837 CD PRO B 167 63.976 66.918 51.945 1.00 0.00 C ATOM 0 HA PRO B 167 63.593 66.652 48.918 1.00 0.00 H new ATOM 0 HB2 PRO B 167 66.293 67.021 50.297 1.00 0.00 H new ATOM 0 HB3 PRO B 167 65.482 68.120 49.199 1.00 0.00 H new ATOM 0 HG2 PRO B 167 65.331 68.620 51.828 1.00 0.00 H new ATOM 0 HG3 PRO B 167 63.879 68.807 50.864 1.00 0.00 H new ATOM 0 HD2 PRO B 167 64.650 66.509 52.698 1.00 0.00 H new ATOM 0 HD3 PRO B 167 63.072 67.236 52.465 1.00 0.00 H new ATOM 843 N SER B 168 65.952 64.470 49.701 1.00 0.00 N ATOM 844 CA SER B 168 66.728 63.305 49.208 1.00 0.00 C ATOM 845 C SER B 168 65.823 62.245 48.570 1.00 0.00 C ATOM 846 O SER B 168 66.035 61.893 47.412 1.00 0.00 O ATOM 847 CB SER B 168 67.563 62.679 50.332 1.00 0.00 C ATOM 848 OG SER B 168 68.456 61.691 49.799 1.00 0.00 O ATOM 0 H SER B 168 66.152 64.703 50.674 1.00 0.00 H new ATOM 0 HA SER B 168 67.403 63.678 48.438 1.00 0.00 H new ATOM 0 HB2 SER B 168 68.132 63.454 50.846 1.00 0.00 H new ATOM 0 HB3 SER B 168 66.905 62.223 51.072 1.00 0.00 H new ATOM 0 HG SER B 168 68.984 61.301 50.527 1.00 0.00 H new ATOM 854 N LEU B 169 64.755 61.878 49.269 1.00 0.00 N ATOM 855 CA LEU B 169 63.684 61.007 48.737 1.00 0.00 C ATOM 856 C LEU B 169 63.085 61.564 47.440 1.00 0.00 C ATOM 857 O LEU B 169 63.533 61.157 46.372 1.00 0.00 O ATOM 858 CB LEU B 169 62.627 60.734 49.818 1.00 0.00 C ATOM 859 CG LEU B 169 62.858 59.366 50.483 1.00 0.00 C ATOM 860 CD1 LEU B 169 64.148 59.320 51.312 1.00 0.00 C ATOM 861 CD2 LEU B 169 61.657 59.003 51.361 1.00 0.00 C ATOM 0 H LEU B 169 64.596 62.174 50.232 1.00 0.00 H new ATOM 0 HA LEU B 169 64.124 60.047 48.467 1.00 0.00 H new ATOM 0 HB2 LEU B 169 62.662 61.520 50.573 1.00 0.00 H new ATOM 0 HB3 LEU B 169 61.632 60.763 49.374 1.00 0.00 H new ATOM 0 HG LEU B 169 62.968 58.635 49.682 1.00 0.00 H new ATOM 0 HD11 LEU B 169 64.259 58.331 51.757 1.00 0.00 H new ATOM 0 HD12 LEU B 169 65.002 59.526 50.667 1.00 0.00 H new ATOM 0 HD13 LEU B 169 64.100 60.070 52.101 1.00 0.00 H new ATOM 0 HD21 LEU B 169 61.828 58.033 51.828 1.00 0.00 H new ATOM 0 HD22 LEU B 169 61.529 59.761 52.134 1.00 0.00 H new ATOM 0 HD23 LEU B 169 60.758 58.956 50.746 1.00 0.00 H new ATOM 867 N LEU B 170 62.427 62.723 47.552 1.00 0.00 N ATOM 868 CA LEU B 170 61.833 63.483 46.429 1.00 0.00 C ATOM 869 C LEU B 170 62.700 63.539 45.149 1.00 0.00 C ATOM 870 O LEU B 170 62.405 62.869 44.163 1.00 0.00 O ATOM 871 CB LEU B 170 61.486 64.903 46.891 1.00 0.00 C ATOM 872 CG LEU B 170 60.041 64.990 47.380 1.00 0.00 C ATOM 873 CD1 LEU B 170 59.899 66.111 48.408 1.00 0.00 C ATOM 874 CD2 LEU B 170 59.131 65.283 46.191 1.00 0.00 C ATOM 0 H LEU B 170 62.285 63.179 48.453 1.00 0.00 H new ATOM 0 HA LEU B 170 60.935 62.935 46.145 1.00 0.00 H new ATOM 0 HB2 LEU B 170 62.162 65.202 47.692 1.00 0.00 H new ATOM 0 HB3 LEU B 170 61.637 65.602 46.069 1.00 0.00 H new ATOM 0 HG LEU B 170 59.762 64.044 47.844 1.00 0.00 H new ATOM 0 HD11 LEU B 170 58.865 66.163 48.749 1.00 0.00 H new ATOM 0 HD12 LEU B 170 60.552 65.910 49.258 1.00 0.00 H new ATOM 0 HD13 LEU B 170 60.179 67.061 47.952 1.00 0.00 H new ATOM 0 HD21 LEU B 170 58.097 65.347 46.531 1.00 0.00 H new ATOM 0 HD22 LEU B 170 59.422 66.229 45.735 1.00 0.00 H new ATOM 0 HD23 LEU B 170 59.223 64.483 45.457 1.00 0.00 H new ATOM 880 N LEU B 171 63.880 64.127 45.300 1.00 0.00 N ATOM 881 CA LEU B 171 64.855 64.333 44.219 1.00 0.00 C ATOM 882 C LEU B 171 65.396 63.036 43.593 1.00 0.00 C ATOM 883 O LEU B 171 65.480 62.939 42.364 1.00 0.00 O ATOM 884 CB LEU B 171 66.009 65.204 44.730 1.00 0.00 C ATOM 885 CG LEU B 171 65.534 66.634 45.055 1.00 0.00 C ATOM 886 CD1 LEU B 171 66.568 67.344 45.920 1.00 0.00 C ATOM 887 CD2 LEU B 171 65.287 67.439 43.779 1.00 0.00 C ATOM 0 H LEU B 171 64.201 64.486 46.199 1.00 0.00 H new ATOM 0 HA LEU B 171 64.319 64.838 43.415 1.00 0.00 H new ATOM 0 HB2 LEU B 171 66.441 64.751 45.622 1.00 0.00 H new ATOM 0 HB3 LEU B 171 66.798 65.243 43.979 1.00 0.00 H new ATOM 0 HG LEU B 171 64.593 66.560 45.600 1.00 0.00 H new ATOM 0 HD11 LEU B 171 66.223 68.353 46.144 1.00 0.00 H new ATOM 0 HD12 LEU B 171 66.705 66.792 46.850 1.00 0.00 H new ATOM 0 HD13 LEU B 171 67.517 67.395 45.385 1.00 0.00 H new ATOM 0 HD21 LEU B 171 64.953 68.443 44.041 1.00 0.00 H new ATOM 0 HD22 LEU B 171 66.211 67.502 43.204 1.00 0.00 H new ATOM 0 HD23 LEU B 171 64.521 66.946 43.181 1.00 0.00 H new ATOM 893 N SER B 172 65.595 62.006 44.418 1.00 0.00 N ATOM 894 CA SER B 172 66.081 60.698 43.942 1.00 0.00 C ATOM 895 C SER B 172 64.995 59.852 43.266 1.00 0.00 C ATOM 896 O SER B 172 65.291 59.160 42.289 1.00 0.00 O ATOM 897 CB SER B 172 66.825 59.900 45.020 1.00 0.00 C ATOM 898 OG SER B 172 65.987 59.591 46.140 1.00 0.00 O ATOM 0 H SER B 172 65.428 62.047 45.423 1.00 0.00 H new ATOM 0 HA SER B 172 66.811 60.942 43.170 1.00 0.00 H new ATOM 0 HB2 SER B 172 67.205 58.975 44.587 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.689 60.471 45.361 1.00 0.00 H new ATOM 0 HG SER B 172 65.588 60.416 46.487 1.00 0.00 H new ATOM 904 N HIS B 173 63.752 59.947 43.737 1.00 0.00 N ATOM 905 CA HIS B 173 62.594 59.373 43.031 1.00 0.00 C ATOM 906 C HIS B 173 62.307 60.091 41.702 1.00 0.00 C ATOM 907 O HIS B 173 62.059 59.428 40.689 1.00 0.00 O ATOM 908 CB HIS B 173 61.344 59.382 43.923 1.00 0.00 C ATOM 909 CG HIS B 173 61.470 58.430 45.113 1.00 0.00 C ATOM 910 ND1 HIS B 173 62.040 58.721 46.281 1.00 0.00 N ATOM 911 CD2 HIS B 173 60.917 57.226 45.224 1.00 0.00 C ATOM 912 CE1 HIS B 173 61.818 57.711 47.117 1.00 0.00 C ATOM 913 NE2 HIS B 173 61.137 56.787 46.451 1.00 0.00 N ATOM 0 H HIS B 173 63.515 60.418 44.610 1.00 0.00 H new ATOM 0 HA HIS B 173 62.851 58.340 42.796 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.169 60.394 44.288 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.474 59.103 43.328 1.00 0.00 H new ATOM 0 HD2 HIS B 173 60.382 56.699 44.448 1.00 0.00 H new ATOM 0 HE1 HIS B 173 62.134 57.653 48.148 1.00 0.00 H new ATOM 0 HE2 HIS B 173 60.834 55.887 46.824 1.00 0.00 H new ATOM 918 N LEU B 174 62.429 61.426 41.678 1.00 0.00 N ATOM 919 CA LEU B 174 62.433 62.221 40.434 1.00 0.00 C ATOM 920 C LEU B 174 63.491 61.718 39.433 1.00 0.00 C ATOM 921 O LEU B 174 63.149 61.321 38.322 1.00 0.00 O ATOM 922 CB LEU B 174 62.679 63.710 40.708 1.00 0.00 C ATOM 923 CG LEU B 174 61.498 64.414 41.369 1.00 0.00 C ATOM 924 CD1 LEU B 174 61.987 65.767 41.886 1.00 0.00 C ATOM 925 CD2 LEU B 174 60.345 64.625 40.397 1.00 0.00 C ATOM 0 H LEU B 174 62.528 61.990 42.522 1.00 0.00 H new ATOM 0 HA LEU B 174 61.442 62.097 39.998 1.00 0.00 H new ATOM 0 HB2 LEU B 174 63.556 63.813 41.347 1.00 0.00 H new ATOM 0 HB3 LEU B 174 62.909 64.210 39.767 1.00 0.00 H new ATOM 0 HG LEU B 174 61.125 63.791 42.182 1.00 0.00 H new ATOM 0 HD11 LEU B 174 61.161 66.294 42.365 1.00 0.00 H new ATOM 0 HD12 LEU B 174 62.787 65.612 42.610 1.00 0.00 H new ATOM 0 HD13 LEU B 174 62.362 66.361 41.053 1.00 0.00 H new ATOM 0 HD21 LEU B 174 59.525 65.129 40.909 1.00 0.00 H new ATOM 0 HD22 LEU B 174 60.682 65.237 39.560 1.00 0.00 H new ATOM 0 HD23 LEU B 174 60.001 63.660 40.025 1.00 0.00 H new ATOM 931 N LEU B 175 64.738 61.611 39.900 1.00 0.00 N ATOM 932 CA LEU B 175 65.857 60.993 39.153 1.00 0.00 C ATOM 933 C LEU B 175 65.501 59.623 38.550 1.00 0.00 C ATOM 934 O LEU B 175 65.700 59.394 37.355 1.00 0.00 O ATOM 935 CB LEU B 175 67.076 60.859 40.054 1.00 0.00 C ATOM 936 CG LEU B 175 67.986 62.085 39.965 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.901 62.123 41.197 1.00 0.00 C ATOM 938 CD2 LEU B 175 68.863 62.015 38.702 1.00 0.00 C ATOM 0 H LEU B 175 65.011 61.954 40.821 1.00 0.00 H new ATOM 0 HA LEU B 175 66.078 61.658 38.318 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.752 60.721 41.086 1.00 0.00 H new ATOM 0 HB3 LEU B 175 67.638 59.968 39.775 1.00 0.00 H new ATOM 0 HG LEU B 175 67.365 62.980 39.921 1.00 0.00 H new ATOM 0 HD11 LEU B 175 69.553 62.995 41.140 1.00 0.00 H new ATOM 0 HD12 LEU B 175 68.293 62.183 42.100 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.508 61.218 41.228 1.00 0.00 H new ATOM 0 HD21 LEU B 175 69.504 62.895 38.655 1.00 0.00 H new ATOM 0 HD22 LEU B 175 69.481 61.118 38.737 1.00 0.00 H new ATOM 0 HD23 LEU B 175 68.226 61.982 37.818 1.00 0.00 H new ATOM 944 N ALA B 176 64.899 58.768 39.391 1.00 0.00 N ATOM 945 CA ALA B 176 64.384 57.447 38.984 1.00 0.00 C ATOM 946 C ALA B 176 63.339 57.503 37.848 1.00 0.00 C ATOM 947 O ALA B 176 63.548 56.910 36.796 1.00 0.00 O ATOM 948 CB ALA B 176 63.817 56.741 40.218 1.00 0.00 C ATOM 0 H ALA B 176 64.754 58.973 40.380 1.00 0.00 H new ATOM 0 HA ALA B 176 65.220 56.884 38.569 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.432 55.762 39.932 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.605 56.618 40.961 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.010 57.339 40.640 1.00 0.00 H new ATOM 954 N ILE B 177 62.304 58.323 38.015 1.00 0.00 N ATOM 955 CA ILE B 177 61.238 58.511 36.995 1.00 0.00 C ATOM 956 C ILE B 177 61.830 59.069 35.688 1.00 0.00 C ATOM 957 O ILE B 177 61.527 58.561 34.598 1.00 0.00 O ATOM 958 CB ILE B 177 60.069 59.372 37.530 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.517 58.765 38.829 1.00 0.00 C ATOM 960 CG2 ILE B 177 58.932 59.431 36.496 1.00 0.00 C ATOM 961 CD1 ILE B 177 58.756 59.754 39.721 1.00 0.00 C ATOM 0 H ILE B 177 62.167 58.883 38.857 1.00 0.00 H new ATOM 0 HA ILE B 177 60.812 57.533 36.770 1.00 0.00 H new ATOM 0 HB ILE B 177 60.446 60.377 37.720 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.853 57.939 38.575 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.345 58.344 39.399 1.00 0.00 H new ATOM 0 HG21 ILE B 177 58.117 60.040 36.886 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.304 59.872 35.571 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.569 58.423 36.297 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.402 59.240 40.615 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.420 60.569 40.010 1.00 0.00 H new ATOM 0 HD13 ILE B 177 57.904 60.157 39.173 1.00 0.00 H new ATOM 965 N GLY B 178 62.736 60.030 35.821 1.00 0.00 N ATOM 966 CA GLY B 178 63.520 60.611 34.711 1.00 0.00 C ATOM 967 C GLY B 178 64.305 59.553 33.917 1.00 0.00 C ATOM 968 O GLY B 178 64.236 59.534 32.686 1.00 0.00 O ATOM 0 H GLY B 178 62.960 60.446 36.725 1.00 0.00 H new ATOM 0 HA2 GLY B 178 62.848 61.140 34.036 1.00 0.00 H new ATOM 0 HA3 GLY B 178 64.216 61.349 35.111 1.00 0.00 H new ATOM 972 N LEU B 179 65.071 58.721 34.630 1.00 0.00 N ATOM 973 CA LEU B 179 65.707 57.512 34.060 1.00 0.00 C ATOM 974 C LEU B 179 64.748 56.621 33.262 1.00 0.00 C ATOM 975 O LEU B 179 65.063 56.177 32.165 1.00 0.00 O ATOM 976 CB LEU B 179 66.364 56.667 35.156 1.00 0.00 C ATOM 977 CG LEU B 179 67.768 57.172 35.505 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.186 56.597 36.847 1.00 0.00 C ATOM 979 CD2 LEU B 179 68.772 56.716 34.433 1.00 0.00 C ATOM 0 H LEU B 179 65.272 58.860 35.620 1.00 0.00 H new ATOM 0 HA LEU B 179 66.457 57.890 33.365 1.00 0.00 H new ATOM 0 HB2 LEU B 179 65.740 56.683 36.050 1.00 0.00 H new ATOM 0 HB3 LEU B 179 66.423 55.629 34.828 1.00 0.00 H new ATOM 0 HG LEU B 179 67.755 58.261 35.550 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.185 56.953 37.100 1.00 0.00 H new ATOM 0 HD12 LEU B 179 67.481 56.916 37.615 1.00 0.00 H new ATOM 0 HD13 LEU B 179 68.193 55.508 36.790 1.00 0.00 H new ATOM 0 HD21 LEU B 179 69.767 57.079 34.689 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.784 55.627 34.386 1.00 0.00 H new ATOM 0 HD23 LEU B 179 68.477 57.118 33.464 1.00 0.00 H new ATOM 985 N GLY B 180 63.560 56.410 33.832 1.00 0.00 N ATOM 986 CA GLY B 180 62.462 55.681 33.171 1.00 0.00 C ATOM 987 C GLY B 180 62.094 56.285 31.807 1.00 0.00 C ATOM 988 O GLY B 180 62.109 55.590 30.785 1.00 0.00 O ATOM 0 H GLY B 180 63.326 56.739 34.769 1.00 0.00 H new ATOM 0 HA2 GLY B 180 62.751 54.638 33.037 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.584 55.688 33.817 1.00 0.00 H new ATOM 992 N ILE B 181 61.743 57.566 31.831 1.00 0.00 N ATOM 993 CA ILE B 181 61.508 58.405 30.631 1.00 0.00 C ATOM 994 C ILE B 181 62.654 58.243 29.611 1.00 0.00 C ATOM 995 O ILE B 181 62.419 57.984 28.436 1.00 0.00 O ATOM 996 CB ILE B 181 61.344 59.887 31.040 1.00 0.00 C ATOM 997 CG1 ILE B 181 60.219 60.114 32.079 1.00 0.00 C ATOM 998 CG2 ILE B 181 61.224 60.851 29.848 1.00 0.00 C ATOM 999 CD1 ILE B 181 58.811 59.709 31.635 1.00 0.00 C ATOM 0 H ILE B 181 61.607 58.076 32.704 1.00 0.00 H new ATOM 0 HA ILE B 181 60.587 58.072 30.153 1.00 0.00 H new ATOM 0 HB ILE B 181 62.283 60.136 31.535 1.00 0.00 H new ATOM 0 HG12 ILE B 181 60.468 59.559 32.983 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.205 61.170 32.347 1.00 0.00 H new ATOM 0 HG21 ILE B 181 61.112 61.871 30.215 1.00 0.00 H new ATOM 0 HG22 ILE B 181 62.122 60.783 29.233 1.00 0.00 H new ATOM 0 HG23 ILE B 181 60.353 60.583 29.250 1.00 0.00 H new ATOM 0 HD11 ILE B 181 58.104 59.911 32.439 1.00 0.00 H new ATOM 0 HD12 ILE B 181 58.529 60.282 30.751 1.00 0.00 H new ATOM 0 HD13 ILE B 181 58.796 58.645 31.398 1.00 0.00 H new ATOM 1003 N TYR B 182 63.886 58.426 30.099 1.00 0.00 N ATOM 1004 CA TYR B 182 65.124 58.203 29.321 1.00 0.00 C ATOM 1005 C TYR B 182 65.132 56.865 28.565 1.00 0.00 C ATOM 1006 O TYR B 182 65.399 56.871 27.369 1.00 0.00 O ATOM 1007 CB TYR B 182 66.345 58.378 30.259 1.00 0.00 C ATOM 1008 CG TYR B 182 67.602 57.625 29.901 1.00 0.00 C ATOM 1009 CD1 TYR B 182 68.431 58.052 28.817 1.00 0.00 C ATOM 1010 CD2 TYR B 182 68.039 56.556 30.742 1.00 0.00 C ATOM 1011 CE1 TYR B 182 69.664 57.467 28.631 1.00 0.00 C ATOM 1012 CE2 TYR B 182 69.280 55.973 30.544 1.00 0.00 C ATOM 1013 CZ TYR B 182 70.115 56.428 29.496 1.00 0.00 C ATOM 1014 OH TYR B 182 71.334 55.937 29.329 1.00 0.00 O ATOM 0 H TYR B 182 64.060 58.736 31.055 1.00 0.00 H new ATOM 0 HA TYR B 182 65.178 58.952 28.531 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.588 59.440 30.303 1.00 0.00 H new ATOM 0 HB3 TYR B 182 66.046 58.078 31.263 1.00 0.00 H new ATOM 0 HD1 TYR B 182 68.092 58.829 28.148 1.00 0.00 H new ATOM 0 HD2 TYR B 182 67.399 56.201 31.536 1.00 0.00 H new ATOM 0 HE1 TYR B 182 70.296 57.799 27.821 1.00 0.00 H new ATOM 0 HE2 TYR B 182 69.610 55.172 31.189 1.00 0.00 H new ATOM 0 HH TYR B 182 71.498 55.236 29.994 1.00 0.00 H new ATOM 1019 N ILE B 183 64.829 55.763 29.240 1.00 0.00 N ATOM 1020 CA ILE B 183 64.675 54.442 28.594 1.00 0.00 C ATOM 1021 C ILE B 183 63.519 54.471 27.567 1.00 0.00 C ATOM 1022 O ILE B 183 63.785 54.476 26.361 1.00 0.00 O ATOM 1023 CB ILE B 183 64.499 53.341 29.661 1.00 0.00 C ATOM 1024 CG1 ILE B 183 65.708 53.304 30.601 1.00 0.00 C ATOM 1025 CG2 ILE B 183 64.334 51.960 29.004 1.00 0.00 C ATOM 1026 CD1 ILE B 183 65.346 52.819 32.010 1.00 0.00 C ATOM 0 H ILE B 183 64.681 55.747 30.249 1.00 0.00 H new ATOM 0 HA ILE B 183 65.582 54.204 28.038 1.00 0.00 H new ATOM 0 HB ILE B 183 63.600 53.576 30.231 1.00 0.00 H new ATOM 0 HG12 ILE B 183 66.471 52.649 30.180 1.00 0.00 H new ATOM 0 HG13 ILE B 183 66.144 54.301 30.665 1.00 0.00 H new ATOM 0 HG21 ILE B 183 64.212 51.202 29.777 1.00 0.00 H new ATOM 0 HG22 ILE B 183 63.455 51.966 28.360 1.00 0.00 H new ATOM 0 HG23 ILE B 183 65.218 51.732 28.409 1.00 0.00 H new ATOM 0 HD11 ILE B 183 66.240 52.813 32.633 1.00 0.00 H new ATOM 0 HD12 ILE B 183 64.604 53.488 32.446 1.00 0.00 H new ATOM 0 HD13 ILE B 183 64.936 51.811 31.954 1.00 0.00 H new