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= -0.0942 K(o=1.1,f=0.24) USER MOD Set 1.2: B 172 SER OG : rot -27:sc= 1.15 USER MOD Set 2.1: A 172 SER OG : rot -81:sc= 1.33 USER MOD Set 2.2: B 173 HIS : no HD1:sc= -0.0433 K(o=1.3,f=-1.5) 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 4:sc= 0.9 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 65.421 50.883 53.951 1.00 0.00 N ATOM 261 CA LEU A 166 66.302 50.361 52.883 1.00 0.00 C ATOM 262 C LEU A 166 65.590 49.544 51.775 1.00 0.00 C ATOM 263 O LEU A 166 65.759 49.921 50.616 1.00 0.00 O ATOM 264 CB LEU A 166 67.531 49.645 53.475 1.00 0.00 C ATOM 265 CG LEU A 166 68.315 50.581 54.400 1.00 0.00 C ATOM 266 CD1 LEU A 166 69.380 49.782 55.161 1.00 0.00 C ATOM 267 CD2 LEU A 166 68.975 51.723 53.620 1.00 0.00 C ATOM 0 HA LEU A 166 66.656 51.240 52.345 1.00 0.00 H new ATOM 0 HB2 LEU A 166 67.211 48.763 54.030 1.00 0.00 H new ATOM 0 HB3 LEU A 166 68.178 49.298 52.669 1.00 0.00 H new ATOM 0 HG LEU A 166 67.613 51.024 55.106 1.00 0.00 H new ATOM 0 HD11 LEU A 166 69.936 50.451 55.818 1.00 0.00 H new ATOM 0 HD12 LEU A 166 68.897 49.007 55.756 1.00 0.00 H new ATOM 0 HD13 LEU A 166 70.065 49.320 54.450 1.00 0.00 H new ATOM 0 HD21 LEU A 166 69.522 52.366 54.310 1.00 0.00 H new ATOM 0 HD22 LEU A 166 69.665 51.310 52.884 1.00 0.00 H new ATOM 0 HD23 LEU A 166 68.208 52.307 53.111 1.00 0.00 H new ATOM 273 N PRO A 167 64.726 48.544 52.074 1.00 0.00 N ATOM 274 CA PRO A 167 63.884 47.905 51.057 1.00 0.00 C ATOM 275 C PRO A 167 62.947 48.906 50.363 1.00 0.00 C ATOM 276 O PRO A 167 63.042 49.058 49.144 1.00 0.00 O ATOM 277 CB PRO A 167 63.121 46.776 51.757 1.00 0.00 C ATOM 278 CG PRO A 167 63.263 47.090 53.233 1.00 0.00 C ATOM 279 CD PRO A 167 64.623 47.784 53.334 1.00 0.00 C ATOM 0 HA PRO A 167 64.499 47.502 50.252 1.00 0.00 H new ATOM 0 HB2 PRO A 167 62.074 46.755 51.453 1.00 0.00 H new ATOM 0 HB3 PRO A 167 63.543 45.801 51.515 1.00 0.00 H new ATOM 0 HG2 PRO A 167 62.458 47.736 53.583 1.00 0.00 H new ATOM 0 HG3 PRO A 167 63.231 46.184 53.839 1.00 0.00 H new ATOM 0 HD2 PRO A 167 64.673 48.441 54.202 1.00 0.00 H new ATOM 0 HD3 PRO A 167 65.434 47.062 53.433 1.00 0.00 H new ATOM 285 N SER A 168 62.215 49.696 51.148 1.00 0.00 N ATOM 286 CA SER A 168 61.320 50.764 50.641 1.00 0.00 C ATOM 287 C SER A 168 62.028 51.698 49.641 1.00 0.00 C ATOM 288 O SER A 168 61.524 51.928 48.548 1.00 0.00 O ATOM 289 CB SER A 168 60.747 51.563 51.807 1.00 0.00 C ATOM 290 OG SER A 168 60.086 50.693 52.741 1.00 0.00 O ATOM 0 H SER A 168 62.219 49.621 52.165 1.00 0.00 H new ATOM 0 HA SER A 168 60.507 50.279 50.100 1.00 0.00 H new ATOM 0 HB2 SER A 168 61.547 52.106 52.311 1.00 0.00 H new ATOM 0 HB3 SER A 168 60.043 52.307 51.434 1.00 0.00 H new ATOM 0 HG SER A 168 59.726 51.222 53.483 1.00 0.00 H new ATOM 296 N LEU A 169 63.243 52.116 49.989 1.00 0.00 N ATOM 297 CA LEU A 169 64.162 52.900 49.137 1.00 0.00 C ATOM 298 C LEU A 169 64.386 52.226 47.768 1.00 0.00 C ATOM 299 O LEU A 169 63.740 52.623 46.789 1.00 0.00 O ATOM 300 CB LEU A 169 65.482 53.063 49.909 1.00 0.00 C ATOM 301 CG LEU A 169 66.095 54.460 49.798 1.00 0.00 C ATOM 302 CD1 LEU A 169 67.231 54.573 50.821 1.00 0.00 C ATOM 303 CD2 LEU A 169 66.633 54.773 48.402 1.00 0.00 C ATOM 0 H LEU A 169 63.639 51.915 50.907 1.00 0.00 H new ATOM 0 HA LEU A 169 63.729 53.877 48.921 1.00 0.00 H new ATOM 0 HB2 LEU A 169 65.307 52.836 50.961 1.00 0.00 H new ATOM 0 HB3 LEU A 169 66.200 52.331 49.540 1.00 0.00 H new ATOM 0 HG LEU A 169 65.305 55.184 49.996 1.00 0.00 H new ATOM 0 HD11 LEU A 169 67.681 55.564 50.757 1.00 0.00 H new ATOM 0 HD12 LEU A 169 66.834 54.419 51.824 1.00 0.00 H new ATOM 0 HD13 LEU A 169 67.987 53.817 50.610 1.00 0.00 H new ATOM 0 HD21 LEU A 169 67.054 55.778 48.391 1.00 0.00 H new ATOM 0 HD22 LEU A 169 67.408 54.052 48.141 1.00 0.00 H new ATOM 0 HD23 LEU A 169 65.821 54.712 47.677 1.00 0.00 H new ATOM 309 N LEU A 170 65.038 51.055 47.760 1.00 0.00 N ATOM 310 CA LEU A 170 65.350 50.343 46.503 1.00 0.00 C ATOM 311 C LEU A 170 64.138 49.900 45.677 1.00 0.00 C ATOM 312 O LEU A 170 64.052 50.237 44.492 1.00 0.00 O ATOM 313 CB LEU A 170 66.391 49.220 46.692 1.00 0.00 C ATOM 314 CG LEU A 170 66.060 48.212 47.789 1.00 0.00 C ATOM 315 CD1 LEU A 170 65.390 46.961 47.215 1.00 0.00 C ATOM 316 CD2 LEU A 170 67.330 47.866 48.565 1.00 0.00 C ATOM 0 H LEU A 170 65.360 50.579 48.603 1.00 0.00 H new ATOM 0 HA LEU A 170 65.818 51.108 45.883 1.00 0.00 H new ATOM 0 HB2 LEU A 170 66.501 48.685 45.749 1.00 0.00 H new ATOM 0 HB3 LEU A 170 67.356 49.674 46.916 1.00 0.00 H new ATOM 0 HG LEU A 170 65.344 48.662 48.477 1.00 0.00 H new ATOM 0 HD11 LEU A 170 65.168 46.264 48.023 1.00 0.00 H new ATOM 0 HD12 LEU A 170 64.464 47.242 46.713 1.00 0.00 H new ATOM 0 HD13 LEU A 170 66.060 46.485 46.499 1.00 0.00 H new ATOM 0 HD21 LEU A 170 67.093 47.146 49.348 1.00 0.00 H new ATOM 0 HD22 LEU A 170 68.065 47.434 47.886 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.739 48.770 49.015 1.00 0.00 H new ATOM 322 N LEU A 171 63.125 49.348 46.347 1.00 0.00 N ATOM 323 CA LEU A 171 61.840 48.964 45.715 1.00 0.00 C ATOM 324 C LEU A 171 61.151 50.148 45.031 1.00 0.00 C ATOM 325 O LEU A 171 60.934 50.096 43.821 1.00 0.00 O ATOM 326 CB LEU A 171 60.903 48.330 46.752 1.00 0.00 C ATOM 327 CG LEU A 171 61.361 46.913 47.125 1.00 0.00 C ATOM 328 CD1 LEU A 171 60.758 46.525 48.472 1.00 0.00 C ATOM 329 CD2 LEU A 171 60.928 45.912 46.057 1.00 0.00 C ATOM 0 H LEU A 171 63.163 49.150 47.347 1.00 0.00 H new ATOM 0 HA LEU A 171 62.069 48.232 44.940 1.00 0.00 H new ATOM 0 HB2 LEU A 171 60.873 48.952 47.647 1.00 0.00 H new ATOM 0 HB3 LEU A 171 59.889 48.294 46.355 1.00 0.00 H new ATOM 0 HG LEU A 171 62.449 46.899 47.192 1.00 0.00 H new ATOM 0 HD11 LEU A 171 61.082 45.519 48.739 1.00 0.00 H new ATOM 0 HD12 LEU A 171 61.091 47.228 49.236 1.00 0.00 H new ATOM 0 HD13 LEU A 171 59.670 46.550 48.405 1.00 0.00 H new ATOM 0 HD21 LEU A 171 61.261 44.913 46.338 1.00 0.00 H new ATOM 0 HD22 LEU A 171 59.842 45.921 45.969 1.00 0.00 H new ATOM 0 HD23 LEU A 171 61.372 46.186 45.100 1.00 0.00 H new ATOM 335 N SER A 172 60.994 51.256 45.750 1.00 0.00 N ATOM 336 CA SER A 172 60.391 52.492 45.200 1.00 0.00 C ATOM 337 C SER A 172 61.207 53.109 44.062 1.00 0.00 C ATOM 338 O SER A 172 60.615 53.540 43.083 1.00 0.00 O ATOM 339 CB SER A 172 60.084 53.551 46.257 1.00 0.00 C ATOM 340 OG SER A 172 61.285 54.040 46.868 1.00 0.00 O ATOM 0 H SER A 172 61.276 51.335 46.727 1.00 0.00 H new ATOM 0 HA SER A 172 59.440 52.155 44.789 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.543 54.379 45.799 1.00 0.00 H new ATOM 0 HB3 SER A 172 59.431 53.128 47.020 1.00 0.00 H new ATOM 0 HG SER A 172 61.575 53.415 47.565 1.00 0.00 H new ATOM 346 N HIS A 173 62.537 53.111 44.180 1.00 0.00 N ATOM 347 CA HIS A 173 63.431 53.511 43.069 1.00 0.00 C ATOM 348 C HIS A 173 63.222 52.699 41.780 1.00 0.00 C ATOM 349 O HIS A 173 62.937 53.267 40.734 1.00 0.00 O ATOM 350 CB HIS A 173 64.905 53.484 43.510 1.00 0.00 C ATOM 351 CG HIS A 173 65.337 54.867 43.974 1.00 0.00 C ATOM 352 ND1 HIS A 173 65.231 55.356 45.200 1.00 0.00 N ATOM 353 CD2 HIS A 173 65.813 55.829 43.184 1.00 0.00 C ATOM 354 CE1 HIS A 173 65.648 56.626 45.173 1.00 0.00 C ATOM 355 NE2 HIS A 173 65.995 56.921 43.929 1.00 0.00 N ATOM 0 H HIS A 173 63.028 52.841 45.032 1.00 0.00 H new ATOM 0 HA HIS A 173 63.157 54.536 42.820 1.00 0.00 H new ATOM 0 HB2 HIS A 173 65.038 52.763 44.317 1.00 0.00 H new ATOM 0 HB3 HIS A 173 65.534 53.156 42.683 1.00 0.00 H new ATOM 0 HD2 HIS A 173 66.016 55.740 42.127 1.00 0.00 H new ATOM 0 HE1 HIS A 173 65.694 57.296 46.019 1.00 0.00 H new ATOM 0 HE2 HIS A 173 66.340 57.823 43.599 1.00 0.00 H new ATOM 360 N LEU A 174 63.237 51.374 41.922 1.00 0.00 N ATOM 361 CA LEU A 174 62.897 50.433 40.834 1.00 0.00 C ATOM 362 C LEU A 174 61.513 50.709 40.224 1.00 0.00 C ATOM 363 O LEU A 174 61.377 50.952 39.024 1.00 0.00 O ATOM 364 CB LEU A 174 62.961 48.984 41.353 1.00 0.00 C ATOM 365 CG LEU A 174 64.393 48.561 41.691 1.00 0.00 C ATOM 366 CD1 LEU A 174 64.368 47.383 42.669 1.00 0.00 C ATOM 367 CD2 LEU A 174 65.166 48.140 40.435 1.00 0.00 C ATOM 0 H LEU A 174 63.486 50.912 42.797 1.00 0.00 H new ATOM 0 HA LEU A 174 63.632 50.579 40.043 1.00 0.00 H new ATOM 0 HB2 LEU A 174 62.335 48.888 42.240 1.00 0.00 H new ATOM 0 HB3 LEU A 174 62.552 48.310 40.600 1.00 0.00 H new ATOM 0 HG LEU A 174 64.894 49.419 42.139 1.00 0.00 H new ATOM 0 HD11 LEU A 174 65.389 47.086 42.907 1.00 0.00 H new ATOM 0 HD12 LEU A 174 63.855 47.680 43.583 1.00 0.00 H new ATOM 0 HD13 LEU A 174 63.842 46.544 42.214 1.00 0.00 H new ATOM 0 HD21 LEU A 174 66.178 47.846 40.712 1.00 0.00 H new ATOM 0 HD22 LEU A 174 64.661 47.298 39.962 1.00 0.00 H new ATOM 0 HD23 LEU A 174 65.209 48.976 39.737 1.00 0.00 H new ATOM 373 N LEU A 175 60.508 50.804 41.092 1.00 0.00 N ATOM 374 CA LEU A 175 59.119 51.179 40.737 1.00 0.00 C ATOM 375 C LEU A 175 58.997 52.522 40.006 1.00 0.00 C ATOM 376 O LEU A 175 58.242 52.630 39.041 1.00 0.00 O ATOM 377 CB LEU A 175 58.245 51.178 41.993 1.00 0.00 C ATOM 378 CG LEU A 175 57.850 49.766 42.436 1.00 0.00 C ATOM 379 CD1 LEU A 175 57.457 49.783 43.914 1.00 0.00 C ATOM 380 CD2 LEU A 175 56.679 49.259 41.603 1.00 0.00 C ATOM 0 H LEU A 175 60.628 50.620 42.088 1.00 0.00 H new ATOM 0 HA LEU A 175 58.772 50.426 40.030 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.780 51.672 42.804 1.00 0.00 H new ATOM 0 HB3 LEU A 175 57.343 51.761 41.804 1.00 0.00 H new ATOM 0 HG LEU A 175 58.701 49.100 42.291 1.00 0.00 H new ATOM 0 HD11 LEU A 175 57.176 48.777 44.227 1.00 0.00 H new ATOM 0 HD12 LEU A 175 58.302 50.127 44.511 1.00 0.00 H new ATOM 0 HD13 LEU A 175 56.613 50.457 44.058 1.00 0.00 H new ATOM 0 HD21 LEU A 175 56.409 48.254 41.929 1.00 0.00 H new ATOM 0 HD22 LEU A 175 55.825 49.924 41.732 1.00 0.00 H new ATOM 0 HD23 LEU A 175 56.964 49.235 40.551 1.00 0.00 H new ATOM 386 N ALA A 176 59.728 53.530 40.477 1.00 0.00 N ATOM 387 CA ALA A 176 59.858 54.855 39.847 1.00 0.00 C ATOM 388 C ALA A 176 60.334 54.799 38.384 1.00 0.00 C ATOM 389 O ALA A 176 59.742 55.413 37.504 1.00 0.00 O ATOM 390 CB ALA A 176 60.802 55.720 40.675 1.00 0.00 C ATOM 0 H ALA A 176 60.268 53.450 41.339 1.00 0.00 H new ATOM 0 HA ALA A 176 58.860 55.293 39.823 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.899 56.701 40.210 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.402 55.834 41.682 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.781 55.244 40.726 1.00 0.00 H new ATOM 396 N ILE A 177 61.385 54.011 38.150 1.00 0.00 N ATOM 397 CA ILE A 177 61.912 53.725 36.798 1.00 0.00 C ATOM 398 C ILE A 177 60.847 53.020 35.921 1.00 0.00 C ATOM 399 O ILE A 177 60.663 53.388 34.768 1.00 0.00 O ATOM 400 CB ILE A 177 63.245 52.950 36.922 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.264 53.832 37.651 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.813 52.528 35.556 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.334 53.055 38.417 1.00 0.00 C ATOM 0 H ILE A 177 61.904 53.546 38.894 1.00 0.00 H new ATOM 0 HA ILE A 177 62.134 54.655 36.276 1.00 0.00 H new ATOM 0 HB ILE A 177 63.048 52.036 37.483 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.753 54.480 36.923 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.733 54.480 38.348 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.748 51.988 35.702 1.00 0.00 H new ATOM 0 HG22 ILE A 177 63.097 51.882 35.048 1.00 0.00 H new ATOM 0 HG23 ILE A 177 63.997 53.414 34.949 1.00 0.00 H new ATOM 0 HD11 ILE A 177 66.014 53.755 38.903 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.858 52.428 39.171 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.894 52.427 37.724 1.00 0.00 H new ATOM 407 N GLY A 178 60.119 52.078 36.535 1.00 0.00 N ATOM 408 CA GLY A 178 58.908 51.439 35.945 1.00 0.00 C ATOM 409 C GLY A 178 57.862 52.478 35.486 1.00 0.00 C ATOM 410 O GLY A 178 57.493 52.519 34.309 1.00 0.00 O ATOM 0 H GLY A 178 60.346 51.726 37.465 1.00 0.00 H new ATOM 0 HA2 GLY A 178 59.202 50.823 35.095 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.457 50.773 36.680 1.00 0.00 H new ATOM 414 N LEU A 179 57.420 53.316 36.429 1.00 0.00 N ATOM 415 CA LEU A 179 56.542 54.479 36.168 1.00 0.00 C ATOM 416 C LEU A 179 57.063 55.340 34.999 1.00 0.00 C ATOM 417 O LEU A 179 56.309 55.698 34.094 1.00 0.00 O ATOM 418 CB LEU A 179 56.447 55.319 37.454 1.00 0.00 C ATOM 419 CG LEU A 179 55.450 56.480 37.345 1.00 0.00 C ATOM 420 CD1 LEU A 179 54.010 55.993 37.509 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.805 57.569 38.354 1.00 0.00 C ATOM 0 H LEU A 179 57.662 53.210 37.414 1.00 0.00 H new ATOM 0 HA LEU A 179 55.555 54.117 35.879 1.00 0.00 H new ATOM 0 HB2 LEU A 179 56.154 54.673 38.281 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.433 55.717 37.694 1.00 0.00 H new ATOM 0 HG LEU A 179 55.521 56.911 36.346 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.328 56.839 37.427 1.00 0.00 H new ATOM 0 HD12 LEU A 179 53.781 55.265 36.730 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.893 55.526 38.487 1.00 0.00 H new ATOM 0 HD21 LEU A 179 55.092 58.389 38.270 1.00 0.00 H new ATOM 0 HD22 LEU A 179 55.767 57.157 39.362 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.810 57.939 38.151 1.00 0.00 H new ATOM 427 N GLY A 180 58.366 55.612 35.029 1.00 0.00 N ATOM 428 CA GLY A 180 59.114 56.291 33.952 1.00 0.00 C ATOM 429 C GLY A 180 58.890 55.670 32.562 1.00 0.00 C ATOM 430 O GLY A 180 58.401 56.341 31.647 1.00 0.00 O ATOM 0 H GLY A 180 58.955 55.362 35.823 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.821 57.341 33.923 1.00 0.00 H new ATOM 0 HA3 GLY A 180 60.178 56.263 34.186 1.00 0.00 H new ATOM 434 N ILE A 181 59.191 54.378 32.444 1.00 0.00 N ATOM 435 CA ILE A 181 58.977 53.574 31.224 1.00 0.00 C ATOM 436 C ILE A 181 57.508 53.666 30.721 1.00 0.00 C ATOM 437 O ILE A 181 57.283 53.854 29.527 1.00 0.00 O ATOM 438 CB ILE A 181 59.482 52.136 31.466 1.00 0.00 C ATOM 439 CG1 ILE A 181 61.007 52.195 31.614 1.00 0.00 C ATOM 440 CG2 ILE A 181 59.084 51.156 30.357 1.00 0.00 C ATOM 441 CD1 ILE A 181 61.596 51.054 32.455 1.00 0.00 C ATOM 0 H ILE A 181 59.601 53.841 33.208 1.00 0.00 H new ATOM 0 HA ILE A 181 59.565 53.983 30.402 1.00 0.00 H new ATOM 0 HB ILE A 181 59.011 51.754 32.372 1.00 0.00 H new ATOM 0 HG12 ILE A 181 61.459 52.173 30.623 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.281 53.147 32.069 1.00 0.00 H new ATOM 0 HG21 ILE A 181 59.472 50.165 30.591 1.00 0.00 H new ATOM 0 HG22 ILE A 181 57.997 51.113 30.282 1.00 0.00 H new ATOM 0 HG23 ILE A 181 59.500 51.493 29.407 1.00 0.00 H new ATOM 0 HD11 ILE A 181 62.679 51.166 32.513 1.00 0.00 H new ATOM 0 HD12 ILE A 181 61.174 51.087 33.459 1.00 0.00 H new ATOM 0 HD13 ILE A 181 61.354 50.098 31.991 1.00 0.00 H new ATOM 445 N TYR A 182 56.561 53.571 31.652 1.00 0.00 N ATOM 446 CA TYR A 182 55.127 53.798 31.387 1.00 0.00 C ATOM 447 C TYR A 182 54.866 55.146 30.674 1.00 0.00 C ATOM 448 O TYR A 182 54.382 55.146 29.540 1.00 0.00 O ATOM 449 CB TYR A 182 54.329 53.669 32.692 1.00 0.00 C ATOM 450 CG TYR A 182 52.839 53.988 32.568 1.00 0.00 C ATOM 451 CD1 TYR A 182 51.946 53.026 32.036 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.382 55.279 32.939 1.00 0.00 C ATOM 453 CE1 TYR A 182 50.602 53.369 31.843 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.035 55.608 32.754 1.00 0.00 C ATOM 455 CZ TYR A 182 50.159 54.662 32.187 1.00 0.00 C ATOM 456 OH TYR A 182 48.953 55.066 31.741 1.00 0.00 O ATOM 0 H TYR A 182 56.761 53.332 32.623 1.00 0.00 H new ATOM 0 HA TYR A 182 54.783 53.028 30.696 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.438 52.652 33.069 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.768 54.334 33.436 1.00 0.00 H new ATOM 0 HD1 TYR A 182 52.298 52.037 31.782 1.00 0.00 H new ATOM 0 HD2 TYR A 182 53.067 56.000 33.360 1.00 0.00 H new ATOM 0 HE1 TYR A 182 49.910 52.648 31.434 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.669 56.582 33.044 1.00 0.00 H new ATOM 0 HH TYR A 182 48.777 55.977 32.055 1.00 0.00 H new ATOM 461 N ILE A 183 55.367 56.231 31.269 1.00 0.00 N ATOM 462 CA ILE A 183 55.277 57.598 30.718 1.00 0.00 C ATOM 463 C ILE A 183 55.899 57.636 29.302 1.00 0.00 C ATOM 464 O ILE A 183 55.182 57.933 28.346 1.00 0.00 O ATOM 465 CB ILE A 183 55.931 58.642 31.651 1.00 0.00 C ATOM 466 CG1 ILE A 183 55.331 58.567 33.062 1.00 0.00 C ATOM 467 CG2 ILE A 183 55.745 60.064 31.093 1.00 0.00 C ATOM 468 CD1 ILE A 183 56.200 59.222 34.150 1.00 0.00 C ATOM 0 H ILE A 183 55.856 56.191 32.163 1.00 0.00 H new ATOM 0 HA ILE A 183 54.223 57.866 30.645 1.00 0.00 H new ATOM 0 HB ILE A 183 56.996 58.415 31.705 1.00 0.00 H new ATOM 0 HG12 ILE A 183 54.353 59.048 33.055 1.00 0.00 H new ATOM 0 HG13 ILE A 183 55.170 57.521 33.322 1.00 0.00 H new ATOM 0 HG21 ILE A 183 56.213 60.783 31.766 1.00 0.00 H new ATOM 0 HG22 ILE A 183 56.209 60.132 30.109 1.00 0.00 H new ATOM 0 HG23 ILE A 183 54.681 60.285 31.009 1.00 0.00 H new ATOM 0 HD11 ILE A 183 55.706 59.126 35.117 1.00 0.00 H new ATOM 0 HD12 ILE A 183 57.170 58.727 34.188 1.00 0.00 H new ATOM 0 HD13 ILE A 183 56.340 60.278 33.917 1.00 0.00 H new ATOM 472 N GLY A 184 57.145 57.188 29.188 1.00 0.00 N ATOM 473 CA GLY A 184 57.914 57.071 27.921 1.00 0.00 C ATOM 474 C GLY A 184 57.080 56.465 26.777 1.00 0.00 C ATOM 475 O GLY A 184 56.716 57.163 25.835 1.00 0.00 O ATOM 0 H GLY A 184 57.682 56.880 29.999 1.00 0.00 H new ATOM 0 HA2 GLY A 184 58.270 58.057 27.624 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.795 56.452 28.091 1.00 0.00 H new ATOM 479 N ARG A 185 56.628 55.240 27.003 1.00 0.00 N ATOM 480 CA ARG A 185 55.812 54.486 26.025 1.00 0.00 C ATOM 481 C ARG A 185 54.426 55.101 25.760 1.00 0.00 C ATOM 482 O ARG A 185 54.005 55.155 24.606 1.00 0.00 O ATOM 483 CB ARG A 185 55.707 53.009 26.413 1.00 0.00 C ATOM 484 CG ARG A 185 57.080 52.336 26.449 1.00 0.00 C ATOM 485 CD ARG A 185 56.980 50.844 26.723 1.00 0.00 C ATOM 486 NE ARG A 185 56.984 50.071 25.464 1.00 0.00 N ATOM 487 CZ ARG A 185 56.024 49.225 25.061 1.00 0.00 C ATOM 488 NH1 ARG A 185 54.741 49.399 25.426 1.00 0.00 N ATOM 489 NH2 ARG A 185 56.262 48.450 24.011 1.00 0.00 N ATOM 0 H ARG A 185 56.810 54.728 27.867 1.00 0.00 H new ATOM 0 HA ARG A 185 56.346 54.557 25.077 1.00 0.00 H new ATOM 0 HB2 ARG A 185 55.233 52.922 27.391 1.00 0.00 H new ATOM 0 HB3 ARG A 185 55.066 52.490 25.701 1.00 0.00 H new ATOM 0 HG2 ARG A 185 57.586 52.496 25.497 1.00 0.00 H new ATOM 0 HG3 ARG A 185 57.693 52.805 27.219 1.00 0.00 H new ATOM 0 HD2 ARG A 185 57.815 50.529 27.349 1.00 0.00 H new ATOM 0 HD3 ARG A 185 56.067 50.634 27.280 1.00 0.00 H new ATOM 0 HE ARG A 185 57.787 50.191 24.847 1.00 0.00 H new ATOM 0 HH11 ARG A 185 54.482 50.186 26.021 1.00 0.00 H new ATOM 0 HH12 ARG A 185 54.027 48.744 25.108 1.00 0.00 H new ATOM 0 HH21 ARG A 185 57.159 48.505 23.529 1.00 0.00 H new ATOM 0 HH22 ARG A 185 55.548 47.799 23.686 1.00 0.00 H new ATOM 802 N PHE B 165 66.791 63.596 54.615 1.00 0.00 N ATOM 803 CA PHE B 165 66.308 62.346 53.973 1.00 0.00 C ATOM 804 C PHE B 165 65.090 62.506 53.047 1.00 0.00 C ATOM 805 O PHE B 165 65.254 62.415 51.830 1.00 0.00 O ATOM 806 CB PHE B 165 66.000 61.216 54.967 1.00 0.00 C ATOM 807 CG PHE B 165 67.045 60.777 55.998 1.00 0.00 C ATOM 808 CD1 PHE B 165 68.445 60.984 55.835 1.00 0.00 C ATOM 809 CD2 PHE B 165 66.559 60.141 57.165 1.00 0.00 C ATOM 810 CE1 PHE B 165 69.332 60.580 56.845 1.00 0.00 C ATOM 811 CE2 PHE B 165 67.454 59.699 58.163 1.00 0.00 C ATOM 812 CZ PHE B 165 68.836 59.934 58.003 1.00 0.00 C ATOM 0 HA PHE B 165 67.167 62.076 53.359 1.00 0.00 H new ATOM 0 HB2 PHE B 165 65.107 61.509 55.519 1.00 0.00 H new ATOM 0 HB3 PHE B 165 65.738 60.335 54.381 1.00 0.00 H new ATOM 0 HD1 PHE B 165 68.823 61.450 54.937 1.00 0.00 H new ATOM 0 HD2 PHE B 165 65.497 59.993 57.293 1.00 0.00 H new ATOM 0 HE1 PHE B 165 70.391 60.762 56.739 1.00 0.00 H new ATOM 0 HE2 PHE B 165 67.085 59.187 59.039 1.00 0.00 H new ATOM 0 HZ PHE B 165 69.524 59.617 58.773 1.00 0.00 H new ATOM 818 N LEU B 166 63.900 62.784 53.589 1.00 0.00 N ATOM 819 CA LEU B 166 62.671 62.937 52.773 1.00 0.00 C ATOM 820 C LEU B 166 62.825 63.784 51.483 1.00 0.00 C ATOM 821 O LEU B 166 62.558 63.216 50.427 1.00 0.00 O ATOM 822 CB LEU B 166 61.476 63.353 53.646 1.00 0.00 C ATOM 823 CG LEU B 166 60.158 63.384 52.877 1.00 0.00 C ATOM 824 CD1 LEU B 166 59.619 61.983 52.590 1.00 0.00 C ATOM 825 CD2 LEU B 166 59.151 64.217 53.663 1.00 0.00 C ATOM 0 H LEU B 166 63.752 62.910 54.590 1.00 0.00 H new ATOM 0 HA LEU B 166 62.461 61.944 52.375 1.00 0.00 H new ATOM 0 HB2 LEU B 166 61.386 62.660 54.483 1.00 0.00 H new ATOM 0 HB3 LEU B 166 61.667 64.340 54.068 1.00 0.00 H new ATOM 0 HG LEU B 166 60.333 63.842 51.903 1.00 0.00 H new ATOM 0 HD11 LEU B 166 58.680 62.060 52.041 1.00 0.00 H new ATOM 0 HD12 LEU B 166 60.344 61.429 51.993 1.00 0.00 H new ATOM 0 HD13 LEU B 166 59.448 61.459 53.530 1.00 0.00 H new ATOM 0 HD21 LEU B 166 58.204 64.247 53.124 1.00 0.00 H new ATOM 0 HD22 LEU B 166 58.996 63.769 54.645 1.00 0.00 H new ATOM 0 HD23 LEU B 166 59.533 65.231 53.783 1.00 0.00 H new ATOM 831 N PRO B 167 63.372 65.027 51.500 1.00 0.00 N ATOM 832 CA PRO B 167 63.605 65.810 50.264 1.00 0.00 C ATOM 833 C PRO B 167 64.474 65.064 49.244 1.00 0.00 C ATOM 834 O PRO B 167 63.998 64.797 48.140 1.00 0.00 O ATOM 835 CB PRO B 167 64.270 67.108 50.721 1.00 0.00 C ATOM 836 CG PRO B 167 63.729 67.293 52.140 1.00 0.00 C ATOM 837 CD PRO B 167 63.692 65.861 52.667 1.00 0.00 C ATOM 0 HA PRO B 167 62.665 65.994 49.743 1.00 0.00 H new ATOM 0 HB2 PRO B 167 65.357 67.029 50.711 1.00 0.00 H new ATOM 0 HB3 PRO B 167 64.005 67.946 50.076 1.00 0.00 H new ATOM 0 HG2 PRO B 167 64.377 67.930 52.742 1.00 0.00 H new ATOM 0 HG3 PRO B 167 62.740 67.752 52.141 1.00 0.00 H new ATOM 0 HD2 PRO B 167 64.650 65.577 53.103 1.00 0.00 H new ATOM 0 HD3 PRO B 167 62.941 65.749 53.449 1.00 0.00 H new ATOM 843 N SER B 168 65.638 64.586 49.687 1.00 0.00 N ATOM 844 CA SER B 168 66.598 63.857 48.813 1.00 0.00 C ATOM 845 C SER B 168 66.038 62.553 48.219 1.00 0.00 C ATOM 846 O SER B 168 66.265 62.269 47.042 1.00 0.00 O ATOM 847 CB SER B 168 67.944 63.626 49.491 1.00 0.00 C ATOM 848 OG SER B 168 67.797 63.027 50.784 1.00 0.00 O ATOM 0 H SER B 168 65.953 64.685 50.652 1.00 0.00 H new ATOM 0 HA SER B 168 66.763 64.524 47.967 1.00 0.00 H new ATOM 0 HB2 SER B 168 68.561 62.985 48.862 1.00 0.00 H new ATOM 0 HB3 SER B 168 68.469 64.576 49.589 1.00 0.00 H new ATOM 0 HG SER B 168 66.851 62.833 50.949 1.00 0.00 H new ATOM 854 N LEU B 169 65.210 61.858 48.994 1.00 0.00 N ATOM 855 CA LEU B 169 64.387 60.723 48.514 1.00 0.00 C ATOM 856 C LEU B 169 63.504 61.109 47.302 1.00 0.00 C ATOM 857 O LEU B 169 63.926 60.842 46.179 1.00 0.00 O ATOM 858 CB LEU B 169 63.535 60.151 49.655 1.00 0.00 C ATOM 859 CG LEU B 169 64.380 59.347 50.637 1.00 0.00 C ATOM 860 CD1 LEU B 169 63.587 59.127 51.929 1.00 0.00 C ATOM 861 CD2 LEU B 169 64.754 57.981 50.038 1.00 0.00 C ATOM 0 H LEU B 169 65.081 62.060 49.986 1.00 0.00 H new ATOM 0 HA LEU B 169 65.074 59.949 48.171 1.00 0.00 H new ATOM 0 HB2 LEU B 169 63.039 60.965 50.183 1.00 0.00 H new ATOM 0 HB3 LEU B 169 62.752 59.515 49.242 1.00 0.00 H new ATOM 0 HG LEU B 169 65.294 59.903 50.847 1.00 0.00 H new ATOM 0 HD11 LEU B 169 64.190 58.552 52.632 1.00 0.00 H new ATOM 0 HD12 LEU B 169 63.335 60.091 52.370 1.00 0.00 H new ATOM 0 HD13 LEU B 169 62.671 58.580 51.705 1.00 0.00 H new ATOM 0 HD21 LEU B 169 65.357 57.422 50.754 1.00 0.00 H new ATOM 0 HD22 LEU B 169 63.846 57.421 49.813 1.00 0.00 H new ATOM 0 HD23 LEU B 169 65.325 58.130 49.121 1.00 0.00 H new ATOM 867 N LEU B 170 62.572 62.032 47.537 1.00 0.00 N ATOM 868 CA LEU B 170 61.649 62.565 46.507 1.00 0.00 C ATOM 869 C LEU B 170 62.383 63.062 45.248 1.00 0.00 C ATOM 870 O LEU B 170 62.089 62.652 44.121 1.00 0.00 O ATOM 871 CB LEU B 170 60.851 63.742 47.082 1.00 0.00 C ATOM 872 CG LEU B 170 60.094 63.403 48.366 1.00 0.00 C ATOM 873 CD1 LEU B 170 59.715 64.694 49.090 1.00 0.00 C ATOM 874 CD2 LEU B 170 58.836 62.576 48.086 1.00 0.00 C ATOM 0 H LEU B 170 62.426 62.444 48.459 1.00 0.00 H new ATOM 0 HA LEU B 170 60.995 61.740 46.222 1.00 0.00 H new ATOM 0 HB2 LEU B 170 61.533 64.569 47.280 1.00 0.00 H new ATOM 0 HB3 LEU B 170 60.140 64.088 46.332 1.00 0.00 H new ATOM 0 HG LEU B 170 60.751 62.801 48.994 1.00 0.00 H new ATOM 0 HD11 LEU B 170 59.175 64.453 50.006 1.00 0.00 H new ATOM 0 HD12 LEU B 170 60.619 65.251 49.338 1.00 0.00 H new ATOM 0 HD13 LEU B 170 59.080 65.301 48.444 1.00 0.00 H new ATOM 0 HD21 LEU B 170 58.328 62.357 49.025 1.00 0.00 H new ATOM 0 HD22 LEU B 170 58.168 63.139 47.435 1.00 0.00 H new ATOM 0 HD23 LEU B 170 59.116 61.642 47.598 1.00 0.00 H new ATOM 880 N LEU B 171 63.400 63.890 45.485 1.00 0.00 N ATOM 881 CA LEU B 171 64.317 64.437 44.467 1.00 0.00 C ATOM 882 C LEU B 171 64.961 63.342 43.596 1.00 0.00 C ATOM 883 O LEU B 171 64.811 63.342 42.374 1.00 0.00 O ATOM 884 CB LEU B 171 65.346 65.247 45.262 1.00 0.00 C ATOM 885 CG LEU B 171 66.420 65.942 44.431 1.00 0.00 C ATOM 886 CD1 LEU B 171 65.863 67.120 43.631 1.00 0.00 C ATOM 887 CD2 LEU B 171 67.525 66.384 45.381 1.00 0.00 C ATOM 0 H LEU B 171 63.622 64.215 46.426 1.00 0.00 H new ATOM 0 HA LEU B 171 63.790 65.059 43.743 1.00 0.00 H new ATOM 0 HB2 LEU B 171 64.817 66.002 45.844 1.00 0.00 H new ATOM 0 HB3 LEU B 171 65.836 64.581 45.973 1.00 0.00 H new ATOM 0 HG LEU B 171 66.814 65.247 43.690 1.00 0.00 H new ATOM 0 HD11 LEU B 171 66.666 67.582 43.056 1.00 0.00 H new ATOM 0 HD12 LEU B 171 65.088 66.765 42.952 1.00 0.00 H new ATOM 0 HD13 LEU B 171 65.437 67.855 44.314 1.00 0.00 H new ATOM 0 HD21 LEU B 171 68.311 66.886 44.817 1.00 0.00 H new ATOM 0 HD22 LEU B 171 67.115 67.071 46.122 1.00 0.00 H new ATOM 0 HD23 LEU B 171 67.941 65.512 45.886 1.00 0.00 H new ATOM 893 N SER B 172 65.604 62.372 44.251 1.00 0.00 N ATOM 894 CA SER B 172 66.191 61.189 43.576 1.00 0.00 C ATOM 895 C SER B 172 65.169 60.282 42.886 1.00 0.00 C ATOM 896 O SER B 172 65.494 59.652 41.884 1.00 0.00 O ATOM 897 CB SER B 172 67.101 60.367 44.497 1.00 0.00 C ATOM 898 OG SER B 172 66.355 59.682 45.496 1.00 0.00 O ATOM 0 H SER B 172 65.738 62.375 45.262 1.00 0.00 H new ATOM 0 HA SER B 172 66.805 61.621 42.786 1.00 0.00 H new ATOM 0 HB2 SER B 172 67.664 59.646 43.904 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.828 61.025 44.973 1.00 0.00 H new ATOM 0 HG SER B 172 65.527 60.173 45.681 1.00 0.00 H new ATOM 904 N HIS B 173 63.955 60.199 43.426 1.00 0.00 N ATOM 905 CA HIS B 173 62.806 59.577 42.731 1.00 0.00 C ATOM 906 C HIS B 173 62.477 60.270 41.404 1.00 0.00 C ATOM 907 O HIS B 173 62.482 59.595 40.376 1.00 0.00 O ATOM 908 CB HIS B 173 61.558 59.494 43.611 1.00 0.00 C ATOM 909 CG HIS B 173 61.692 58.338 44.601 1.00 0.00 C ATOM 910 ND1 HIS B 173 62.142 58.443 45.849 1.00 0.00 N ATOM 911 CD2 HIS B 173 61.650 57.053 44.282 1.00 0.00 C ATOM 912 CE1 HIS B 173 62.406 57.210 46.283 1.00 0.00 C ATOM 913 NE2 HIS B 173 62.113 56.361 45.310 1.00 0.00 N ATOM 0 H HIS B 173 63.730 60.557 44.354 1.00 0.00 H new ATOM 0 HA HIS B 173 63.123 58.558 42.508 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.420 60.431 44.150 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.674 59.351 42.990 1.00 0.00 H new ATOM 0 HD2 HIS B 173 61.299 56.642 43.347 1.00 0.00 H new ATOM 0 HE1 HIS B 173 62.791 56.949 47.258 1.00 0.00 H new ATOM 0 HE2 HIS B 173 62.225 55.348 45.347 1.00 0.00 H new ATOM 918 N LEU B 174 62.360 61.592 41.397 1.00 0.00 N ATOM 919 CA LEU B 174 62.208 62.376 40.148 1.00 0.00 C ATOM 920 C LEU B 174 63.347 62.144 39.133 1.00 0.00 C ATOM 921 O LEU B 174 63.078 61.858 37.971 1.00 0.00 O ATOM 922 CB LEU B 174 62.018 63.868 40.426 1.00 0.00 C ATOM 923 CG LEU B 174 60.573 64.148 40.877 1.00 0.00 C ATOM 924 CD1 LEU B 174 60.541 64.685 42.307 1.00 0.00 C ATOM 925 CD2 LEU B 174 59.913 65.139 39.917 1.00 0.00 C ATOM 0 H LEU B 174 62.366 62.161 42.244 1.00 0.00 H new ATOM 0 HA LEU B 174 61.297 61.999 39.682 1.00 0.00 H new ATOM 0 HB2 LEU B 174 62.716 64.193 41.197 1.00 0.00 H new ATOM 0 HB3 LEU B 174 62.244 64.444 39.528 1.00 0.00 H new ATOM 0 HG LEU B 174 60.016 63.211 40.859 1.00 0.00 H new ATOM 0 HD11 LEU B 174 59.509 64.875 42.601 1.00 0.00 H new ATOM 0 HD12 LEU B 174 60.982 63.951 42.981 1.00 0.00 H new ATOM 0 HD13 LEU B 174 61.110 65.613 42.360 1.00 0.00 H new ATOM 0 HD21 LEU B 174 58.891 65.333 40.241 1.00 0.00 H new ATOM 0 HD22 LEU B 174 60.476 66.072 39.913 1.00 0.00 H new ATOM 0 HD23 LEU B 174 59.901 64.719 38.911 1.00 0.00 H new ATOM 931 N LEU B 175 64.584 62.119 39.627 1.00 0.00 N ATOM 932 CA LEU B 175 65.772 61.704 38.845 1.00 0.00 C ATOM 933 C LEU B 175 65.618 60.299 38.221 1.00 0.00 C ATOM 934 O LEU B 175 65.716 60.140 37.001 1.00 0.00 O ATOM 935 CB LEU B 175 67.052 61.757 39.692 1.00 0.00 C ATOM 936 CG LEU B 175 67.428 63.172 40.151 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.527 63.092 41.206 1.00 0.00 C ATOM 938 CD2 LEU B 175 67.933 64.017 38.984 1.00 0.00 C ATOM 0 H LEU B 175 64.803 62.386 40.587 1.00 0.00 H new ATOM 0 HA LEU B 175 65.854 62.422 38.029 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.924 61.122 40.569 1.00 0.00 H new ATOM 0 HB3 LEU B 175 67.877 61.340 39.114 1.00 0.00 H new ATOM 0 HG LEU B 175 66.534 63.639 40.564 1.00 0.00 H new ATOM 0 HD11 LEU B 175 68.793 64.098 41.531 1.00 0.00 H new ATOM 0 HD12 LEU B 175 68.170 62.517 42.060 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.404 62.604 40.781 1.00 0.00 H new ATOM 0 HD21 LEU B 175 68.191 65.014 39.341 1.00 0.00 H new ATOM 0 HD22 LEU B 175 68.816 63.547 38.550 1.00 0.00 H new ATOM 0 HD23 LEU B 175 67.153 64.094 38.226 1.00 0.00 H new ATOM 944 N ALA B 176 65.256 59.327 39.054 1.00 0.00 N ATOM 945 CA ALA B 176 64.980 57.926 38.660 1.00 0.00 C ATOM 946 C ALA B 176 63.830 57.772 37.654 1.00 0.00 C ATOM 947 O ALA B 176 63.992 57.072 36.650 1.00 0.00 O ATOM 948 CB ALA B 176 64.695 57.083 39.912 1.00 0.00 C ATOM 0 H ALA B 176 65.140 59.485 40.055 1.00 0.00 H new ATOM 0 HA ALA B 176 65.876 57.571 38.150 1.00 0.00 H new ATOM 0 HB1 ALA B 176 64.492 56.053 39.619 1.00 0.00 H new ATOM 0 HB2 ALA B 176 65.562 57.108 40.573 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.829 57.489 40.434 1.00 0.00 H new ATOM 954 N ILE B 177 62.694 58.430 37.899 1.00 0.00 N ATOM 955 CA ILE B 177 61.552 58.465 36.946 1.00 0.00 C ATOM 956 C ILE B 177 62.021 59.068 35.603 1.00 0.00 C ATOM 957 O ILE B 177 61.794 58.460 34.566 1.00 0.00 O ATOM 958 CB ILE B 177 60.335 59.256 37.482 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.902 58.737 38.855 1.00 0.00 C ATOM 960 CG2 ILE B 177 59.146 59.122 36.516 1.00 0.00 C ATOM 961 CD1 ILE B 177 59.095 59.772 39.661 1.00 0.00 C ATOM 0 H ILE B 177 62.528 58.956 38.757 1.00 0.00 H new ATOM 0 HA ILE B 177 61.219 57.436 36.808 1.00 0.00 H new ATOM 0 HB ILE B 177 60.635 60.300 37.568 1.00 0.00 H new ATOM 0 HG12 ILE B 177 59.301 57.837 38.724 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.786 58.450 39.424 1.00 0.00 H new ATOM 0 HG21 ILE B 177 58.296 59.683 36.905 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.425 59.516 35.539 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.873 58.071 36.419 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.817 59.346 40.625 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.702 60.663 39.820 1.00 0.00 H new ATOM 0 HD13 ILE B 177 58.194 60.041 39.109 1.00 0.00 H new ATOM 965 N GLY B 178 62.703 60.216 35.678 1.00 0.00 N ATOM 966 CA GLY B 178 63.345 60.876 34.515 1.00 0.00 C ATOM 967 C GLY B 178 64.175 59.902 33.671 1.00 0.00 C ATOM 968 O GLY B 178 63.906 59.699 32.487 1.00 0.00 O ATOM 0 H GLY B 178 62.831 60.725 36.552 1.00 0.00 H new ATOM 0 HA2 GLY B 178 62.577 61.330 33.889 1.00 0.00 H new ATOM 0 HA3 GLY B 178 63.987 61.683 34.868 1.00 0.00 H new ATOM 972 N LEU B 179 65.098 59.236 34.353 1.00 0.00 N ATOM 973 CA LEU B 179 65.924 58.131 33.807 1.00 0.00 C ATOM 974 C LEU B 179 65.067 57.005 33.178 1.00 0.00 C ATOM 975 O LEU B 179 65.380 56.507 32.093 1.00 0.00 O ATOM 976 CB LEU B 179 66.780 57.584 34.967 1.00 0.00 C ATOM 977 CG LEU B 179 67.856 56.610 34.493 1.00 0.00 C ATOM 978 CD1 LEU B 179 69.175 57.333 34.213 1.00 0.00 C ATOM 979 CD2 LEU B 179 68.020 55.478 35.500 1.00 0.00 C ATOM 0 H LEU B 179 65.310 59.444 35.329 1.00 0.00 H new ATOM 0 HA LEU B 179 66.551 58.512 33.001 1.00 0.00 H new ATOM 0 HB2 LEU B 179 67.253 58.416 35.489 1.00 0.00 H new ATOM 0 HB3 LEU B 179 66.133 57.083 35.687 1.00 0.00 H new ATOM 0 HG LEU B 179 67.538 56.169 33.548 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.921 56.612 33.877 1.00 0.00 H new ATOM 0 HD12 LEU B 179 69.021 58.084 33.438 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.524 57.819 35.124 1.00 0.00 H new ATOM 0 HD21 LEU B 179 68.790 54.790 35.151 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.312 55.890 36.466 1.00 0.00 H new ATOM 0 HD23 LEU B 179 67.076 54.944 35.604 1.00 0.00 H new ATOM 985 N GLY B 180 64.018 56.594 33.884 1.00 0.00 N ATOM 986 CA GLY B 180 62.996 55.631 33.399 1.00 0.00 C ATOM 987 C GLY B 180 62.341 56.061 32.082 1.00 0.00 C ATOM 988 O GLY B 180 62.278 55.267 31.137 1.00 0.00 O ATOM 0 H GLY B 180 63.837 56.920 34.833 1.00 0.00 H new ATOM 0 HA2 GLY B 180 63.461 54.654 33.265 1.00 0.00 H new ATOM 0 HA3 GLY B 180 62.225 55.515 34.160 1.00 0.00 H new ATOM 992 N ILE B 181 61.870 57.311 32.011 1.00 0.00 N ATOM 993 CA ILE B 181 61.266 57.904 30.792 1.00 0.00 C ATOM 994 C ILE B 181 62.308 57.903 29.661 1.00 0.00 C ATOM 995 O ILE B 181 62.000 57.475 28.545 1.00 0.00 O ATOM 996 CB ILE B 181 60.742 59.336 31.014 1.00 0.00 C ATOM 997 CG1 ILE B 181 59.866 59.441 32.274 1.00 0.00 C ATOM 998 CG2 ILE B 181 59.901 59.755 29.795 1.00 0.00 C ATOM 999 CD1 ILE B 181 59.724 60.873 32.804 1.00 0.00 C ATOM 0 H ILE B 181 61.893 57.954 32.802 1.00 0.00 H new ATOM 0 HA ILE B 181 60.404 57.292 30.526 1.00 0.00 H new ATOM 0 HB ILE B 181 61.604 59.990 31.144 1.00 0.00 H new ATOM 0 HG12 ILE B 181 58.875 59.045 32.052 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.292 58.813 33.056 1.00 0.00 H new ATOM 0 HG21 ILE B 181 59.525 60.768 29.943 1.00 0.00 H new ATOM 0 HG22 ILE B 181 60.520 59.725 28.898 1.00 0.00 H new ATOM 0 HG23 ILE B 181 59.061 59.070 29.680 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.093 60.871 33.693 1.00 0.00 H new ATOM 0 HD12 ILE B 181 60.708 61.266 33.058 1.00 0.00 H new ATOM 0 HD13 ILE B 181 59.269 61.501 32.038 1.00 0.00 H new ATOM 1003 N TYR B 182 63.505 58.380 29.976 1.00 0.00 N ATOM 1004 CA TYR B 182 64.711 58.284 29.123 1.00 0.00 C ATOM 1005 C TYR B 182 64.834 56.909 28.438 1.00 0.00 C ATOM 1006 O TYR B 182 64.519 56.822 27.265 1.00 0.00 O ATOM 1007 CB TYR B 182 65.907 58.719 29.962 1.00 0.00 C ATOM 1008 CG TYR B 182 67.299 58.308 29.445 1.00 0.00 C ATOM 1009 CD1 TYR B 182 67.840 58.952 28.325 1.00 0.00 C ATOM 1010 CD2 TYR B 182 68.036 57.402 30.234 1.00 0.00 C ATOM 1011 CE1 TYR B 182 69.213 58.684 27.981 1.00 0.00 C ATOM 1012 CE2 TYR B 182 69.402 57.155 29.886 1.00 0.00 C ATOM 1013 CZ TYR B 182 69.931 57.805 28.772 1.00 0.00 C ATOM 1014 OH TYR B 182 71.271 57.610 28.512 1.00 0.00 O ATOM 0 H TYR B 182 63.683 58.862 30.857 1.00 0.00 H new ATOM 0 HA TYR B 182 64.649 58.961 28.271 1.00 0.00 H new ATOM 0 HB2 TYR B 182 65.884 59.805 30.051 1.00 0.00 H new ATOM 0 HB3 TYR B 182 65.784 58.314 30.967 1.00 0.00 H new ATOM 0 HD1 TYR B 182 67.243 59.632 27.735 1.00 0.00 H new ATOM 0 HD2 TYR B 182 67.582 56.907 31.079 1.00 0.00 H new ATOM 0 HE1 TYR B 182 69.671 59.158 27.126 1.00 0.00 H new ATOM 0 HE2 TYR B 182 70.009 56.481 30.473 1.00 0.00 H new ATOM 0 HH TYR B 182 71.638 56.966 29.153 1.00 0.00 H new ATOM 1019 N ILE B 183 64.910 55.851 29.255 1.00 0.00 N ATOM 1020 CA ILE B 183 64.917 54.446 28.780 1.00 0.00 C ATOM 1021 C ILE B 183 63.662 54.118 27.933 1.00 0.00 C ATOM 1022 O ILE B 183 63.792 53.826 26.746 1.00 0.00 O ATOM 1023 CB ILE B 183 65.131 53.506 29.991 1.00 0.00 C ATOM 1024 CG1 ILE B 183 66.527 53.746 30.580 1.00 0.00 C ATOM 1025 CG2 ILE B 183 64.959 52.029 29.606 1.00 0.00 C ATOM 1026 CD1 ILE B 183 66.720 53.226 32.009 1.00 0.00 C ATOM 0 H ILE B 183 64.969 55.937 30.270 1.00 0.00 H new ATOM 0 HA ILE B 183 65.750 54.288 28.095 1.00 0.00 H new ATOM 0 HB ILE B 183 64.371 53.734 30.739 1.00 0.00 H new ATOM 0 HG12 ILE B 183 67.265 53.272 29.933 1.00 0.00 H new ATOM 0 HG13 ILE B 183 66.732 54.816 30.567 1.00 0.00 H new ATOM 0 HG21 ILE B 183 65.118 51.403 30.484 1.00 0.00 H new ATOM 0 HG22 ILE B 183 63.951 51.868 29.223 1.00 0.00 H new ATOM 0 HG23 ILE B 183 65.686 51.766 28.837 1.00 0.00 H new ATOM 0 HD11 ILE B 183 67.736 53.441 32.340 1.00 0.00 H new ATOM 0 HD12 ILE B 183 66.010 53.718 32.674 1.00 0.00 H new ATOM 0 HD13 ILE B 183 66.551 52.149 32.030 1.00 0.00 H new