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 172 SER OG : rot -46:sc= 1.86 USER MOD Set 1.2: A 173 HIS : +bothHN:sc= 1.84 K(o=6.4,f=-4.9!) USER MOD Set 1.3: B 172 SER OG : rot -63:sc= 2.1 USER MOD Set 1.4: B 173 HIS : no HD1:sc= 0.62 K(o=6.4,f=1.1!) 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 6:sc= 0.386 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 67.219 50.265 52.777 1.00 0.00 N ATOM 261 CA LEU A 166 67.752 49.808 51.471 1.00 0.00 C ATOM 262 C LEU A 166 66.810 48.950 50.584 1.00 0.00 C ATOM 263 O LEU A 166 66.547 49.406 49.476 1.00 0.00 O ATOM 264 CB LEU A 166 69.156 49.203 51.576 1.00 0.00 C ATOM 265 CG LEU A 166 70.235 50.291 51.676 1.00 0.00 C ATOM 266 CD1 LEU A 166 71.565 49.651 52.101 1.00 0.00 C ATOM 267 CD2 LEU A 166 70.420 51.012 50.340 1.00 0.00 C ATOM 0 HA LEU A 166 67.825 50.744 50.917 1.00 0.00 H new ATOM 0 HB2 LEU A 166 69.209 48.556 52.451 1.00 0.00 H new ATOM 0 HB3 LEU A 166 69.349 48.577 50.705 1.00 0.00 H new ATOM 0 HG LEU A 166 69.917 51.024 52.418 1.00 0.00 H new ATOM 0 HD11 LEU A 166 72.333 50.421 52.173 1.00 0.00 H new ATOM 0 HD12 LEU A 166 71.443 49.169 53.071 1.00 0.00 H new ATOM 0 HD13 LEU A 166 71.864 48.908 51.361 1.00 0.00 H new ATOM 0 HD21 LEU A 166 71.190 51.776 50.443 1.00 0.00 H new ATOM 0 HD22 LEU A 166 70.721 50.294 49.577 1.00 0.00 H new ATOM 0 HD23 LEU A 166 69.481 51.481 50.046 1.00 0.00 H new ATOM 273 N PRO A 167 66.184 47.857 51.071 1.00 0.00 N ATOM 274 CA PRO A 167 65.213 47.082 50.262 1.00 0.00 C ATOM 275 C PRO A 167 64.009 47.928 49.792 1.00 0.00 C ATOM 276 O PRO A 167 63.874 48.136 48.590 1.00 0.00 O ATOM 277 CB PRO A 167 64.784 45.909 51.144 1.00 0.00 C ATOM 278 CG PRO A 167 65.983 45.719 52.068 1.00 0.00 C ATOM 279 CD PRO A 167 66.434 47.151 52.342 1.00 0.00 C ATOM 0 HA PRO A 167 65.672 46.738 49.335 1.00 0.00 H new ATOM 0 HB2 PRO A 167 63.876 46.135 51.703 1.00 0.00 H new ATOM 0 HB3 PRO A 167 64.582 45.014 50.555 1.00 0.00 H new ATOM 0 HG2 PRO A 167 65.707 45.200 52.986 1.00 0.00 H new ATOM 0 HG3 PRO A 167 66.769 45.132 51.594 1.00 0.00 H new ATOM 0 HD2 PRO A 167 65.871 47.596 53.162 1.00 0.00 H new ATOM 0 HD3 PRO A 167 67.487 47.191 52.620 1.00 0.00 H new ATOM 285 N SER A 168 63.245 48.509 50.720 1.00 0.00 N ATOM 286 CA SER A 168 62.097 49.393 50.393 1.00 0.00 C ATOM 287 C SER A 168 62.474 50.636 49.562 1.00 0.00 C ATOM 288 O SER A 168 61.752 50.994 48.629 1.00 0.00 O ATOM 289 CB SER A 168 61.336 49.819 51.650 1.00 0.00 C ATOM 290 OG SER A 168 62.244 50.424 52.584 1.00 0.00 O ATOM 0 H SER A 168 63.395 48.387 51.722 1.00 0.00 H new ATOM 0 HA SER A 168 61.448 48.782 49.765 1.00 0.00 H new ATOM 0 HB2 SER A 168 60.546 50.523 51.388 1.00 0.00 H new ATOM 0 HB3 SER A 168 60.854 48.954 52.105 1.00 0.00 H new ATOM 0 HG SER A 168 61.753 50.697 53.387 1.00 0.00 H new ATOM 296 N LEU A 169 63.607 51.251 49.897 1.00 0.00 N ATOM 297 CA LEU A 169 64.226 52.370 49.164 1.00 0.00 C ATOM 298 C LEU A 169 64.352 52.037 47.662 1.00 0.00 C ATOM 299 O LEU A 169 63.518 52.493 46.880 1.00 0.00 O ATOM 300 CB LEU A 169 65.584 52.670 49.822 1.00 0.00 C ATOM 301 CG LEU A 169 66.345 53.865 49.266 1.00 0.00 C ATOM 302 CD1 LEU A 169 65.668 55.189 49.619 1.00 0.00 C ATOM 303 CD2 LEU A 169 67.766 53.840 49.821 1.00 0.00 C ATOM 0 H LEU A 169 64.146 50.977 50.719 1.00 0.00 H new ATOM 0 HA LEU A 169 63.603 53.263 49.219 1.00 0.00 H new ATOM 0 HB2 LEU A 169 65.421 52.832 50.888 1.00 0.00 H new ATOM 0 HB3 LEU A 169 66.215 51.786 49.727 1.00 0.00 H new ATOM 0 HG LEU A 169 66.358 53.792 48.179 1.00 0.00 H new ATOM 0 HD11 LEU A 169 66.245 56.015 49.202 1.00 0.00 H new ATOM 0 HD12 LEU A 169 64.660 55.204 49.204 1.00 0.00 H new ATOM 0 HD13 LEU A 169 65.616 55.293 50.703 1.00 0.00 H new ATOM 0 HD21 LEU A 169 68.324 54.691 49.431 1.00 0.00 H new ATOM 0 HD22 LEU A 169 67.733 53.896 50.909 1.00 0.00 H new ATOM 0 HD23 LEU A 169 68.258 52.915 49.520 1.00 0.00 H new ATOM 309 N LEU A 170 65.148 51.006 47.381 1.00 0.00 N ATOM 310 CA LEU A 170 65.356 50.459 46.022 1.00 0.00 C ATOM 311 C LEU A 170 64.045 50.026 45.326 1.00 0.00 C ATOM 312 O LEU A 170 63.800 50.420 44.188 1.00 0.00 O ATOM 313 CB LEU A 170 66.365 49.315 46.083 1.00 0.00 C ATOM 314 CG LEU A 170 67.769 49.845 46.412 1.00 0.00 C ATOM 315 CD1 LEU A 170 68.677 48.723 46.901 1.00 0.00 C ATOM 316 CD2 LEU A 170 68.409 50.506 45.201 1.00 0.00 C ATOM 0 H LEU A 170 65.680 50.512 48.097 1.00 0.00 H new ATOM 0 HA LEU A 170 65.755 51.263 45.403 1.00 0.00 H new ATOM 0 HB2 LEU A 170 66.057 48.592 46.839 1.00 0.00 H new ATOM 0 HB3 LEU A 170 66.384 48.789 45.128 1.00 0.00 H new ATOM 0 HG LEU A 170 67.651 50.586 47.202 1.00 0.00 H new ATOM 0 HD11 LEU A 170 69.664 49.126 47.127 1.00 0.00 H new ATOM 0 HD12 LEU A 170 68.253 48.278 47.801 1.00 0.00 H new ATOM 0 HD13 LEU A 170 68.764 47.962 46.126 1.00 0.00 H new ATOM 0 HD21 LEU A 170 69.401 50.870 45.467 1.00 0.00 H new ATOM 0 HD22 LEU A 170 68.494 49.780 44.393 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.791 51.342 44.874 1.00 0.00 H new ATOM 322 N LEU A 171 63.166 49.370 46.088 1.00 0.00 N ATOM 323 CA LEU A 171 61.813 48.956 45.646 1.00 0.00 C ATOM 324 C LEU A 171 61.006 50.151 45.080 1.00 0.00 C ATOM 325 O LEU A 171 60.487 50.081 43.967 1.00 0.00 O ATOM 326 CB LEU A 171 61.101 48.329 46.849 1.00 0.00 C ATOM 327 CG LEU A 171 59.939 47.403 46.498 1.00 0.00 C ATOM 328 CD1 LEU A 171 60.441 46.052 45.993 1.00 0.00 C ATOM 329 CD2 LEU A 171 59.066 47.184 47.734 1.00 0.00 C ATOM 0 H LEU A 171 63.370 49.102 47.051 1.00 0.00 H new ATOM 0 HA LEU A 171 61.895 48.232 44.835 1.00 0.00 H new ATOM 0 HB2 LEU A 171 61.831 47.767 47.432 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.729 49.129 47.489 1.00 0.00 H new ATOM 0 HG LEU A 171 59.358 47.875 45.706 1.00 0.00 H new ATOM 0 HD11 LEU A 171 59.590 45.415 45.751 1.00 0.00 H new ATOM 0 HD12 LEU A 171 61.049 46.200 45.100 1.00 0.00 H new ATOM 0 HD13 LEU A 171 61.043 45.575 46.767 1.00 0.00 H new ATOM 0 HD21 LEU A 171 58.237 46.523 47.481 1.00 0.00 H new ATOM 0 HD22 LEU A 171 59.663 46.731 48.526 1.00 0.00 H new ATOM 0 HD23 LEU A 171 58.675 48.142 48.077 1.00 0.00 H new ATOM 335 N SER A 172 61.011 51.260 45.819 1.00 0.00 N ATOM 336 CA SER A 172 60.337 52.521 45.422 1.00 0.00 C ATOM 337 C SER A 172 60.947 53.217 44.188 1.00 0.00 C ATOM 338 O SER A 172 60.219 53.778 43.370 1.00 0.00 O ATOM 339 CB SER A 172 60.215 53.513 46.580 1.00 0.00 C ATOM 340 OG SER A 172 61.433 54.232 46.848 1.00 0.00 O ATOM 0 H SER A 172 61.484 51.321 46.721 1.00 0.00 H new ATOM 0 HA SER A 172 59.338 52.197 45.131 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.423 54.227 46.355 1.00 0.00 H new ATOM 0 HB3 SER A 172 59.914 52.975 47.479 1.00 0.00 H new ATOM 0 HG SER A 172 62.186 53.606 46.861 1.00 0.00 H new ATOM 346 N HIS A 173 62.272 53.217 44.084 1.00 0.00 N ATOM 347 CA HIS A 173 62.978 53.775 42.920 1.00 0.00 C ATOM 348 C HIS A 173 62.792 52.937 41.634 1.00 0.00 C ATOM 349 O HIS A 173 62.579 53.508 40.565 1.00 0.00 O ATOM 350 CB HIS A 173 64.455 54.000 43.256 1.00 0.00 C ATOM 351 CG HIS A 173 64.575 55.089 44.329 1.00 0.00 C ATOM 352 ND1 HIS A 173 64.407 54.915 45.644 1.00 0.00 N ATOM 353 CD2 HIS A 173 64.699 56.395 44.113 1.00 0.00 C ATOM 354 CE1 HIS A 173 64.427 56.100 46.234 1.00 0.00 C ATOM 355 NE2 HIS A 173 64.614 57.011 45.297 1.00 0.00 N ATOM 0 H HIS A 173 62.891 52.833 44.798 1.00 0.00 H new ATOM 0 HA HIS A 173 62.524 54.740 42.697 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.903 53.073 43.612 1.00 0.00 H new ATOM 0 HB3 HIS A 173 65.002 54.295 42.360 1.00 0.00 H new ATOM 0 HD1 HIS A 173 64.284 54.018 46.114 1.00 0.00 H new ATOM 0 HD2 HIS A 173 64.842 56.872 43.155 1.00 0.00 H new ATOM 0 HE1 HIS A 173 64.311 56.288 47.291 1.00 0.00 H new ATOM 0 HE2 HIS A 173 64.682 58.017 45.451 1.00 0.00 H new ATOM 360 N LEU A 174 62.724 51.616 41.799 1.00 0.00 N ATOM 361 CA LEU A 174 62.260 50.689 40.738 1.00 0.00 C ATOM 362 C LEU A 174 60.862 51.068 40.226 1.00 0.00 C ATOM 363 O LEU A 174 60.650 51.178 39.013 1.00 0.00 O ATOM 364 CB LEU A 174 62.210 49.257 41.289 1.00 0.00 C ATOM 365 CG LEU A 174 63.583 48.598 41.342 1.00 0.00 C ATOM 366 CD1 LEU A 174 63.531 47.412 42.314 1.00 0.00 C ATOM 367 CD2 LEU A 174 63.988 48.108 39.949 1.00 0.00 C ATOM 0 H LEU A 174 62.986 51.148 42.666 1.00 0.00 H new ATOM 0 HA LEU A 174 62.965 50.757 39.909 1.00 0.00 H new ATOM 0 HB2 LEU A 174 61.780 49.272 42.291 1.00 0.00 H new ATOM 0 HB3 LEU A 174 61.547 48.656 40.667 1.00 0.00 H new ATOM 0 HG LEU A 174 64.320 49.324 41.684 1.00 0.00 H new ATOM 0 HD11 LEU A 174 64.510 46.934 42.358 1.00 0.00 H new ATOM 0 HD12 LEU A 174 63.256 47.767 43.307 1.00 0.00 H new ATOM 0 HD13 LEU A 174 62.791 46.691 41.968 1.00 0.00 H new ATOM 0 HD21 LEU A 174 64.971 47.639 40.000 1.00 0.00 H new ATOM 0 HD22 LEU A 174 63.257 47.382 39.592 1.00 0.00 H new ATOM 0 HD23 LEU A 174 64.025 48.954 39.262 1.00 0.00 H new ATOM 373 N LEU A 175 59.936 51.285 41.155 1.00 0.00 N ATOM 374 CA LEU A 175 58.601 51.863 40.863 1.00 0.00 C ATOM 375 C LEU A 175 58.666 53.169 40.059 1.00 0.00 C ATOM 376 O LEU A 175 57.933 53.314 39.091 1.00 0.00 O ATOM 377 CB LEU A 175 57.811 52.174 42.145 1.00 0.00 C ATOM 378 CG LEU A 175 57.344 50.949 42.921 1.00 0.00 C ATOM 379 CD1 LEU A 175 56.808 51.428 44.262 1.00 0.00 C ATOM 380 CD2 LEU A 175 56.222 50.215 42.180 1.00 0.00 C ATOM 0 H LEU A 175 60.078 51.068 42.141 1.00 0.00 H new ATOM 0 HA LEU A 175 58.103 51.092 40.274 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.433 52.785 42.799 1.00 0.00 H new ATOM 0 HB3 LEU A 175 56.940 52.774 41.882 1.00 0.00 H new ATOM 0 HG LEU A 175 58.181 50.261 43.041 1.00 0.00 H new ATOM 0 HD11 LEU A 175 56.465 50.572 44.843 1.00 0.00 H new ATOM 0 HD12 LEU A 175 57.599 51.943 44.807 1.00 0.00 H new ATOM 0 HD13 LEU A 175 55.976 52.112 44.098 1.00 0.00 H new ATOM 0 HD21 LEU A 175 55.911 49.346 42.760 1.00 0.00 H new ATOM 0 HD22 LEU A 175 55.373 50.886 42.048 1.00 0.00 H new ATOM 0 HD23 LEU A 175 56.582 49.890 41.204 1.00 0.00 H new ATOM 386 N ALA A 176 59.460 54.137 40.535 1.00 0.00 N ATOM 387 CA ALA A 176 59.684 55.417 39.839 1.00 0.00 C ATOM 388 C ALA A 176 60.227 55.236 38.414 1.00 0.00 C ATOM 389 O ALA A 176 59.767 55.918 37.488 1.00 0.00 O ATOM 390 CB ALA A 176 60.584 56.314 40.669 1.00 0.00 C ATOM 0 H ALA A 176 59.968 54.057 41.416 1.00 0.00 H new ATOM 0 HA ALA A 176 58.713 55.900 39.728 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.742 57.256 40.144 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.114 56.510 41.633 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.543 55.821 40.827 1.00 0.00 H new ATOM 396 N ILE A 177 61.145 54.287 38.221 1.00 0.00 N ATOM 397 CA ILE A 177 61.605 53.823 36.901 1.00 0.00 C ATOM 398 C ILE A 177 60.437 53.263 36.052 1.00 0.00 C ATOM 399 O ILE A 177 60.237 53.707 34.924 1.00 0.00 O ATOM 400 CB ILE A 177 62.798 52.864 37.104 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.031 53.712 37.449 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.082 51.933 35.922 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.106 52.960 38.245 1.00 0.00 C ATOM 0 H ILE A 177 61.603 53.805 38.994 1.00 0.00 H new ATOM 0 HA ILE A 177 61.972 54.657 36.302 1.00 0.00 H new ATOM 0 HB ILE A 177 62.539 52.186 37.918 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.473 54.084 36.525 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.711 54.582 38.023 1.00 0.00 H new ATOM 0 HG21 ILE A 177 63.936 51.297 36.156 1.00 0.00 H new ATOM 0 HG22 ILE A 177 62.208 51.310 35.731 1.00 0.00 H new ATOM 0 HG23 ILE A 177 63.305 52.527 35.036 1.00 0.00 H new ATOM 0 HD11 ILE A 177 65.943 53.629 38.448 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.683 52.611 39.187 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.457 52.106 37.666 1.00 0.00 H new ATOM 407 N GLY A 178 59.626 52.378 36.641 1.00 0.00 N ATOM 408 CA GLY A 178 58.395 51.839 36.025 1.00 0.00 C ATOM 409 C GLY A 178 57.380 52.930 35.641 1.00 0.00 C ATOM 410 O GLY A 178 56.815 52.924 34.549 1.00 0.00 O ATOM 0 H GLY A 178 59.804 52.006 37.574 1.00 0.00 H new ATOM 0 HA2 GLY A 178 58.662 51.270 35.134 1.00 0.00 H new ATOM 0 HA3 GLY A 178 57.924 51.142 36.719 1.00 0.00 H new ATOM 414 N LEU A 179 57.130 53.843 36.580 1.00 0.00 N ATOM 415 CA LEU A 179 56.342 55.080 36.394 1.00 0.00 C ATOM 416 C LEU A 179 56.919 55.955 35.264 1.00 0.00 C ATOM 417 O LEU A 179 56.166 56.535 34.482 1.00 0.00 O ATOM 418 CB LEU A 179 56.313 55.850 37.719 1.00 0.00 C ATOM 419 CG LEU A 179 55.391 57.072 37.665 1.00 0.00 C ATOM 420 CD1 LEU A 179 53.918 56.667 37.807 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.811 58.075 38.742 1.00 0.00 C ATOM 0 H LEU A 179 57.481 53.745 37.532 1.00 0.00 H new ATOM 0 HA LEU A 179 55.327 54.813 36.100 1.00 0.00 H new ATOM 0 HB2 LEU A 179 55.982 55.184 38.516 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.323 56.172 37.971 1.00 0.00 H new ATOM 0 HG LEU A 179 55.489 57.549 36.690 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.290 57.557 37.765 1.00 0.00 H new ATOM 0 HD12 LEU A 179 53.646 55.992 36.995 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.770 56.163 38.762 1.00 0.00 H new ATOM 0 HD21 LEU A 179 55.155 58.945 38.704 1.00 0.00 H new ATOM 0 HD22 LEU A 179 55.737 57.607 39.724 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.840 58.388 38.566 1.00 0.00 H new ATOM 427 N GLY A 180 58.243 56.066 35.224 1.00 0.00 N ATOM 428 CA GLY A 180 59.012 56.696 34.135 1.00 0.00 C ATOM 429 C GLY A 180 58.732 56.046 32.771 1.00 0.00 C ATOM 430 O GLY A 180 58.382 56.738 31.824 1.00 0.00 O ATOM 0 H GLY A 180 58.839 55.710 35.971 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.767 57.757 34.087 1.00 0.00 H new ATOM 0 HA3 GLY A 180 60.077 56.625 34.357 1.00 0.00 H new ATOM 434 N ILE A 181 58.845 54.720 32.722 1.00 0.00 N ATOM 435 CA ILE A 181 58.480 53.894 31.552 1.00 0.00 C ATOM 436 C ILE A 181 57.012 54.136 31.129 1.00 0.00 C ATOM 437 O ILE A 181 56.728 54.318 29.947 1.00 0.00 O ATOM 438 CB ILE A 181 58.853 52.438 31.881 1.00 0.00 C ATOM 439 CG1 ILE A 181 60.382 52.299 31.797 1.00 0.00 C ATOM 440 CG2 ILE A 181 58.142 51.395 31.010 1.00 0.00 C ATOM 441 CD1 ILE A 181 60.957 51.149 32.619 1.00 0.00 C ATOM 0 H ILE A 181 59.199 54.170 33.505 1.00 0.00 H new ATOM 0 HA ILE A 181 59.040 54.175 30.660 1.00 0.00 H new ATOM 0 HB ILE A 181 58.505 52.226 32.892 1.00 0.00 H new ATOM 0 HG12 ILE A 181 60.665 52.161 30.754 1.00 0.00 H new ATOM 0 HG13 ILE A 181 60.838 53.231 32.130 1.00 0.00 H new ATOM 0 HG21 ILE A 181 58.460 50.396 31.306 1.00 0.00 H new ATOM 0 HG22 ILE A 181 57.064 51.486 31.141 1.00 0.00 H new ATOM 0 HG23 ILE A 181 58.396 51.561 29.963 1.00 0.00 H new ATOM 0 HD11 ILE A 181 62.040 51.124 32.502 1.00 0.00 H new ATOM 0 HD12 ILE A 181 60.709 51.294 33.670 1.00 0.00 H new ATOM 0 HD13 ILE A 181 60.533 50.207 32.272 1.00 0.00 H new ATOM 445 N TYR A 182 56.126 54.107 32.120 1.00 0.00 N ATOM 446 CA TYR A 182 54.711 54.495 31.971 1.00 0.00 C ATOM 447 C TYR A 182 54.536 55.873 31.293 1.00 0.00 C ATOM 448 O TYR A 182 54.098 55.967 30.144 1.00 0.00 O ATOM 449 CB TYR A 182 54.023 54.396 33.343 1.00 0.00 C ATOM 450 CG TYR A 182 52.575 54.926 33.377 1.00 0.00 C ATOM 451 CD1 TYR A 182 51.565 54.142 32.777 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.370 56.273 33.724 1.00 0.00 C ATOM 453 CE1 TYR A 182 50.321 54.747 32.479 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.120 56.882 33.414 1.00 0.00 C ATOM 455 CZ TYR A 182 50.139 56.099 32.791 1.00 0.00 C ATOM 456 OH TYR A 182 48.983 56.708 32.389 1.00 0.00 O ATOM 0 H TYR A 182 56.366 53.810 33.066 1.00 0.00 H new ATOM 0 HA TYR A 182 54.220 53.801 31.289 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.021 53.353 33.659 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.615 54.949 34.072 1.00 0.00 H new ATOM 0 HD1 TYR A 182 51.739 53.101 32.550 1.00 0.00 H new ATOM 0 HD2 TYR A 182 53.148 56.837 34.218 1.00 0.00 H new ATOM 0 HE1 TYR A 182 49.527 54.176 32.020 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.934 57.919 33.653 1.00 0.00 H new ATOM 0 HH TYR A 182 48.991 57.646 32.674 1.00 0.00 H new ATOM 461 N ILE A 183 55.043 56.893 31.972 1.00 0.00 N ATOM 462 CA ILE A 183 54.856 58.293 31.534 1.00 0.00 C ATOM 463 C ILE A 183 55.616 58.670 30.253 1.00 0.00 C ATOM 464 O ILE A 183 55.064 59.367 29.414 1.00 0.00 O ATOM 465 CB ILE A 183 55.061 59.266 32.722 1.00 0.00 C ATOM 466 CG1 ILE A 183 54.323 60.582 32.470 1.00 0.00 C ATOM 467 CG2 ILE A 183 56.532 59.500 33.098 1.00 0.00 C ATOM 468 CD1 ILE A 183 52.809 60.408 32.513 1.00 0.00 C ATOM 0 H ILE A 183 55.588 56.790 32.828 1.00 0.00 H new ATOM 0 HA ILE A 183 53.818 58.394 31.218 1.00 0.00 H new ATOM 0 HB ILE A 183 54.626 58.778 33.594 1.00 0.00 H new ATOM 0 HG12 ILE A 183 54.625 61.315 33.218 1.00 0.00 H new ATOM 0 HG13 ILE A 183 54.614 60.980 31.498 1.00 0.00 H new ATOM 0 HG21 ILE A 183 56.587 60.193 33.938 1.00 0.00 H new ATOM 0 HG22 ILE A 183 56.991 58.552 33.379 1.00 0.00 H new ATOM 0 HG23 ILE A 183 57.063 59.922 32.245 1.00 0.00 H new ATOM 0 HD11 ILE A 183 52.327 61.368 32.329 1.00 0.00 H new ATOM 0 HD12 ILE A 183 52.503 59.695 31.747 1.00 0.00 H new ATOM 0 HD13 ILE A 183 52.513 60.036 33.494 1.00 0.00 H new ATOM 472 N GLY A 184 56.813 58.101 30.079 1.00 0.00 N ATOM 473 CA GLY A 184 57.638 58.251 28.861 1.00 0.00 C ATOM 474 C GLY A 184 56.842 57.922 27.587 1.00 0.00 C ATOM 475 O GLY A 184 56.721 58.763 26.697 1.00 0.00 O ATOM 0 H GLY A 184 57.249 57.512 30.788 1.00 0.00 H new ATOM 0 HA2 GLY A 184 58.014 59.272 28.801 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.506 57.595 28.927 1.00 0.00 H new ATOM 479 N ARG A 185 56.187 56.762 27.607 1.00 0.00 N ATOM 480 CA ARG A 185 55.353 56.314 26.480 1.00 0.00 C ATOM 481 C ARG A 185 54.155 57.247 26.212 1.00 0.00 C ATOM 482 O ARG A 185 53.879 57.589 25.063 1.00 0.00 O ATOM 483 CB ARG A 185 54.882 54.884 26.744 1.00 0.00 C ATOM 484 CG ARG A 185 54.872 54.101 25.427 1.00 0.00 C ATOM 485 CD ARG A 185 54.560 52.639 25.705 1.00 0.00 C ATOM 486 NE ARG A 185 54.893 51.811 24.534 1.00 0.00 N ATOM 487 CZ ARG A 185 54.657 50.500 24.415 1.00 0.00 C ATOM 488 NH1 ARG A 185 54.276 49.751 25.451 1.00 0.00 N ATOM 489 NH2 ARG A 185 54.994 49.889 23.267 1.00 0.00 N ATOM 0 H ARG A 185 56.215 56.110 28.391 1.00 0.00 H new ATOM 0 HA ARG A 185 55.964 56.345 25.578 1.00 0.00 H new ATOM 0 HB2 ARG A 185 55.542 54.399 27.463 1.00 0.00 H new ATOM 0 HB3 ARG A 185 53.884 54.893 27.182 1.00 0.00 H new ATOM 0 HG2 ARG A 185 54.128 54.519 24.749 1.00 0.00 H new ATOM 0 HG3 ARG A 185 55.839 54.189 24.932 1.00 0.00 H new ATOM 0 HD2 ARG A 185 55.126 52.298 26.572 1.00 0.00 H new ATOM 0 HD3 ARG A 185 53.504 52.526 25.950 1.00 0.00 H new ATOM 0 HE ARG A 185 55.342 52.277 23.746 1.00 0.00 H new ATOM 0 HH11 ARG A 185 54.156 50.176 26.371 1.00 0.00 H new ATOM 0 HH12 ARG A 185 54.105 48.754 25.324 1.00 0.00 H new ATOM 0 HH21 ARG A 185 55.420 50.424 22.510 1.00 0.00 H new ATOM 0 HH22 ARG A 185 54.824 48.890 23.152 1.00 0.00 H new ATOM 802 N PHE B 165 65.043 64.378 54.471 1.00 0.00 N ATOM 803 CA PHE B 165 64.510 63.112 53.955 1.00 0.00 C ATOM 804 C PHE B 165 63.497 63.286 52.810 1.00 0.00 C ATOM 805 O PHE B 165 63.610 62.673 51.763 1.00 0.00 O ATOM 806 CB PHE B 165 63.910 62.390 55.166 1.00 0.00 C ATOM 807 CG PHE B 165 63.289 61.017 54.902 1.00 0.00 C ATOM 808 CD1 PHE B 165 64.127 59.901 54.661 1.00 0.00 C ATOM 809 CD2 PHE B 165 61.929 60.839 55.239 1.00 0.00 C ATOM 810 CE1 PHE B 165 63.602 58.600 54.815 1.00 0.00 C ATOM 811 CE2 PHE B 165 61.405 59.543 55.368 1.00 0.00 C ATOM 812 CZ PHE B 165 62.257 58.427 55.170 1.00 0.00 C ATOM 0 HA PHE B 165 65.306 62.527 53.494 1.00 0.00 H new ATOM 0 HB2 PHE B 165 64.693 62.272 55.916 1.00 0.00 H new ATOM 0 HB3 PHE B 165 63.145 63.033 55.602 1.00 0.00 H new ATOM 0 HD1 PHE B 165 65.155 60.044 54.363 1.00 0.00 H new ATOM 0 HD2 PHE B 165 61.294 61.698 55.397 1.00 0.00 H new ATOM 0 HE1 PHE B 165 64.235 57.739 54.660 1.00 0.00 H new ATOM 0 HE2 PHE B 165 60.364 59.398 55.615 1.00 0.00 H new ATOM 0 HZ PHE B 165 61.864 57.429 55.295 1.00 0.00 H new ATOM 818 N LEU B 166 62.543 64.194 52.999 1.00 0.00 N ATOM 819 CA LEU B 166 61.539 64.499 51.953 1.00 0.00 C ATOM 820 C LEU B 166 62.083 65.189 50.693 1.00 0.00 C ATOM 821 O LEU B 166 61.632 64.829 49.604 1.00 0.00 O ATOM 822 CB LEU B 166 60.313 65.175 52.572 1.00 0.00 C ATOM 823 CG LEU B 166 59.407 64.091 53.160 1.00 0.00 C ATOM 824 CD1 LEU B 166 58.445 64.698 54.176 1.00 0.00 C ATOM 825 CD2 LEU B 166 58.620 63.399 52.048 1.00 0.00 C ATOM 0 H LEU B 166 62.434 64.735 53.857 1.00 0.00 H new ATOM 0 HA LEU B 166 61.216 63.540 51.547 1.00 0.00 H new ATOM 0 HB2 LEU B 166 60.619 65.876 53.349 1.00 0.00 H new ATOM 0 HB3 LEU B 166 59.776 65.750 51.818 1.00 0.00 H new ATOM 0 HG LEU B 166 60.032 63.353 53.663 1.00 0.00 H new ATOM 0 HD11 LEU B 166 57.807 63.915 54.586 1.00 0.00 H new ATOM 0 HD12 LEU B 166 59.013 65.162 54.982 1.00 0.00 H new ATOM 0 HD13 LEU B 166 57.827 65.451 53.687 1.00 0.00 H new ATOM 0 HD21 LEU B 166 57.979 62.630 52.480 1.00 0.00 H new ATOM 0 HD22 LEU B 166 58.005 64.133 51.527 1.00 0.00 H new ATOM 0 HD23 LEU B 166 59.313 62.940 51.343 1.00 0.00 H new ATOM 831 N PRO B 167 63.088 66.071 50.803 1.00 0.00 N ATOM 832 CA PRO B 167 63.934 66.450 49.645 1.00 0.00 C ATOM 833 C PRO B 167 64.592 65.237 48.981 1.00 0.00 C ATOM 834 O PRO B 167 64.155 64.875 47.892 1.00 0.00 O ATOM 835 CB PRO B 167 64.930 67.465 50.198 1.00 0.00 C ATOM 836 CG PRO B 167 64.119 68.189 51.267 1.00 0.00 C ATOM 837 CD PRO B 167 63.258 67.080 51.872 1.00 0.00 C ATOM 0 HA PRO B 167 63.349 66.886 48.835 1.00 0.00 H new ATOM 0 HB2 PRO B 167 65.811 66.979 50.619 1.00 0.00 H new ATOM 0 HB3 PRO B 167 65.282 68.149 49.425 1.00 0.00 H new ATOM 0 HG2 PRO B 167 64.763 68.651 52.015 1.00 0.00 H new ATOM 0 HG3 PRO B 167 63.508 68.983 50.838 1.00 0.00 H new ATOM 0 HD2 PRO B 167 63.740 66.645 52.747 1.00 0.00 H new ATOM 0 HD3 PRO B 167 62.294 67.469 52.199 1.00 0.00 H new ATOM 843 N SER B 168 65.453 64.492 49.691 1.00 0.00 N ATOM 844 CA SER B 168 66.187 63.345 49.093 1.00 0.00 C ATOM 845 C SER B 168 65.285 62.288 48.443 1.00 0.00 C ATOM 846 O SER B 168 65.554 61.891 47.313 1.00 0.00 O ATOM 847 CB SER B 168 67.178 62.693 50.060 1.00 0.00 C ATOM 848 OG SER B 168 66.550 62.330 51.284 1.00 0.00 O ATOM 0 H SER B 168 65.664 64.655 50.676 1.00 0.00 H new ATOM 0 HA SER B 168 66.761 63.800 48.286 1.00 0.00 H new ATOM 0 HB2 SER B 168 67.612 61.807 49.596 1.00 0.00 H new ATOM 0 HB3 SER B 168 67.999 63.382 50.261 1.00 0.00 H new ATOM 0 HG SER B 168 65.586 62.496 51.219 1.00 0.00 H new ATOM 854 N LEU B 169 64.171 61.947 49.087 1.00 0.00 N ATOM 855 CA LEU B 169 63.137 61.070 48.493 1.00 0.00 C ATOM 856 C LEU B 169 62.550 61.630 47.182 1.00 0.00 C ATOM 857 O LEU B 169 62.999 61.161 46.133 1.00 0.00 O ATOM 858 CB LEU B 169 62.042 60.697 49.492 1.00 0.00 C ATOM 859 CG LEU B 169 62.562 59.685 50.532 1.00 0.00 C ATOM 860 CD1 LEU B 169 61.500 59.492 51.608 1.00 0.00 C ATOM 861 CD2 LEU B 169 62.897 58.323 49.902 1.00 0.00 C ATOM 0 H LEU B 169 63.950 62.263 50.031 1.00 0.00 H new ATOM 0 HA LEU B 169 63.654 60.148 48.228 1.00 0.00 H new ATOM 0 HB2 LEU B 169 61.687 61.594 49.999 1.00 0.00 H new ATOM 0 HB3 LEU B 169 61.190 60.272 48.961 1.00 0.00 H new ATOM 0 HG LEU B 169 63.482 60.086 50.958 1.00 0.00 H new ATOM 0 HD11 LEU B 169 61.858 58.777 52.349 1.00 0.00 H new ATOM 0 HD12 LEU B 169 61.296 60.446 52.093 1.00 0.00 H new ATOM 0 HD13 LEU B 169 60.585 59.114 51.152 1.00 0.00 H new ATOM 0 HD21 LEU B 169 63.259 57.644 50.674 1.00 0.00 H new ATOM 0 HD22 LEU B 169 62.002 57.905 49.442 1.00 0.00 H new ATOM 0 HD23 LEU B 169 63.668 58.453 49.143 1.00 0.00 H new ATOM 867 N LEU B 170 61.910 62.794 47.252 1.00 0.00 N ATOM 868 CA LEU B 170 61.307 63.467 46.080 1.00 0.00 C ATOM 869 C LEU B 170 62.307 63.593 44.905 1.00 0.00 C ATOM 870 O LEU B 170 62.129 62.930 43.884 1.00 0.00 O ATOM 871 CB LEU B 170 60.755 64.851 46.489 1.00 0.00 C ATOM 872 CG LEU B 170 59.977 65.552 45.361 1.00 0.00 C ATOM 873 CD1 LEU B 170 58.610 64.917 45.134 1.00 0.00 C ATOM 874 CD2 LEU B 170 59.850 67.046 45.667 1.00 0.00 C ATOM 0 H LEU B 170 61.788 63.309 48.124 1.00 0.00 H new ATOM 0 HA LEU B 170 60.482 62.848 45.727 1.00 0.00 H new ATOM 0 HB2 LEU B 170 60.101 64.733 47.353 1.00 0.00 H new ATOM 0 HB3 LEU B 170 61.583 65.488 46.800 1.00 0.00 H new ATOM 0 HG LEU B 170 60.538 65.429 44.434 1.00 0.00 H new ATOM 0 HD11 LEU B 170 58.094 65.442 44.330 1.00 0.00 H new ATOM 0 HD12 LEU B 170 58.736 63.869 44.861 1.00 0.00 H new ATOM 0 HD13 LEU B 170 58.021 64.985 46.048 1.00 0.00 H new ATOM 0 HD21 LEU B 170 59.298 67.536 44.865 1.00 0.00 H new ATOM 0 HD22 LEU B 170 59.317 67.181 46.608 1.00 0.00 H new ATOM 0 HD23 LEU B 170 60.844 67.487 45.746 1.00 0.00 H new ATOM 880 N LEU B 171 63.463 64.176 45.208 1.00 0.00 N ATOM 881 CA LEU B 171 64.558 64.403 44.234 1.00 0.00 C ATOM 882 C LEU B 171 65.118 63.125 43.590 1.00 0.00 C ATOM 883 O LEU B 171 65.131 63.009 42.366 1.00 0.00 O ATOM 884 CB LEU B 171 65.681 65.216 44.900 1.00 0.00 C ATOM 885 CG LEU B 171 65.177 66.589 45.364 1.00 0.00 C ATOM 886 CD1 LEU B 171 66.196 67.208 46.327 1.00 0.00 C ATOM 887 CD2 LEU B 171 64.936 67.545 44.199 1.00 0.00 C ATOM 0 H LEU B 171 63.681 64.513 46.146 1.00 0.00 H new ATOM 0 HA LEU B 171 64.120 64.964 43.409 1.00 0.00 H new ATOM 0 HB2 LEU B 171 66.075 64.664 45.753 1.00 0.00 H new ATOM 0 HB3 LEU B 171 66.504 65.347 44.197 1.00 0.00 H new ATOM 0 HG LEU B 171 64.221 66.434 45.864 1.00 0.00 H new ATOM 0 HD11 LEU B 171 65.839 68.183 46.657 1.00 0.00 H new ATOM 0 HD12 LEU B 171 66.322 66.556 47.191 1.00 0.00 H new ATOM 0 HD13 LEU B 171 67.153 67.325 45.818 1.00 0.00 H new ATOM 0 HD21 LEU B 171 64.580 68.502 44.581 1.00 0.00 H new ATOM 0 HD22 LEU B 171 65.867 67.696 43.653 1.00 0.00 H new ATOM 0 HD23 LEU B 171 64.188 67.121 43.529 1.00 0.00 H new ATOM 893 N SER B 172 65.502 62.143 44.411 1.00 0.00 N ATOM 894 CA SER B 172 65.967 60.830 43.906 1.00 0.00 C ATOM 895 C SER B 172 64.870 60.072 43.119 1.00 0.00 C ATOM 896 O SER B 172 65.143 59.544 42.050 1.00 0.00 O ATOM 897 CB SER B 172 66.534 59.922 44.998 1.00 0.00 C ATOM 898 OG SER B 172 65.532 59.578 45.958 1.00 0.00 O ATOM 0 H SER B 172 65.503 62.224 45.428 1.00 0.00 H new ATOM 0 HA SER B 172 66.780 61.076 43.224 1.00 0.00 H new ATOM 0 HB2 SER B 172 66.936 59.015 44.547 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.363 60.424 45.498 1.00 0.00 H new ATOM 0 HG SER B 172 65.221 60.389 46.412 1.00 0.00 H new ATOM 904 N HIS B 173 63.627 60.146 43.598 1.00 0.00 N ATOM 905 CA HIS B 173 62.448 59.607 42.871 1.00 0.00 C ATOM 906 C HIS B 173 62.288 60.251 41.490 1.00 0.00 C ATOM 907 O HIS B 173 62.251 59.532 40.493 1.00 0.00 O ATOM 908 CB HIS B 173 61.162 59.779 43.690 1.00 0.00 C ATOM 909 CG HIS B 173 61.085 58.854 44.916 1.00 0.00 C ATOM 910 ND1 HIS B 173 60.595 59.187 46.107 1.00 0.00 N ATOM 911 CD2 HIS B 173 61.322 57.542 44.940 1.00 0.00 C ATOM 912 CE1 HIS B 173 60.533 58.086 46.863 1.00 0.00 C ATOM 913 NE2 HIS B 173 60.984 57.072 46.133 1.00 0.00 N ATOM 0 H HIS B 173 63.397 60.576 44.494 1.00 0.00 H new ATOM 0 HA HIS B 173 62.626 58.541 42.726 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.088 60.815 44.021 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.303 59.588 43.047 1.00 0.00 H new ATOM 0 HD2 HIS B 173 61.723 56.959 44.124 1.00 0.00 H new ATOM 0 HE1 HIS B 173 60.180 58.031 47.882 1.00 0.00 H new ATOM 0 HE2 HIS B 173 61.058 56.101 46.437 1.00 0.00 H new ATOM 918 N LEU B 174 62.363 61.575 41.431 1.00 0.00 N ATOM 919 CA LEU B 174 62.385 62.355 40.168 1.00 0.00 C ATOM 920 C LEU B 174 63.494 61.885 39.197 1.00 0.00 C ATOM 921 O LEU B 174 63.208 61.597 38.036 1.00 0.00 O ATOM 922 CB LEU B 174 62.491 63.865 40.432 1.00 0.00 C ATOM 923 CG LEU B 174 61.303 64.406 41.252 1.00 0.00 C ATOM 924 CD1 LEU B 174 61.564 65.865 41.635 1.00 0.00 C ATOM 925 CD2 LEU B 174 59.957 64.285 40.523 1.00 0.00 C ATOM 0 H LEU B 174 62.412 62.160 42.265 1.00 0.00 H new ATOM 0 HA LEU B 174 61.430 62.165 39.679 1.00 0.00 H new ATOM 0 HB2 LEU B 174 63.420 64.073 40.963 1.00 0.00 H new ATOM 0 HB3 LEU B 174 62.542 64.394 39.480 1.00 0.00 H new ATOM 0 HG LEU B 174 61.227 63.787 42.146 1.00 0.00 H new ATOM 0 HD11 LEU B 174 60.723 66.245 42.215 1.00 0.00 H new ATOM 0 HD12 LEU B 174 62.474 65.927 42.232 1.00 0.00 H new ATOM 0 HD13 LEU B 174 61.682 66.463 40.731 1.00 0.00 H new ATOM 0 HD21 LEU B 174 59.164 64.684 41.155 1.00 0.00 H new ATOM 0 HD22 LEU B 174 59.996 64.849 39.591 1.00 0.00 H new ATOM 0 HD23 LEU B 174 59.754 63.236 40.305 1.00 0.00 H new ATOM 931 N LEU B 175 64.702 61.678 39.718 1.00 0.00 N ATOM 932 CA LEU B 175 65.824 61.094 38.951 1.00 0.00 C ATOM 933 C LEU B 175 65.476 59.699 38.378 1.00 0.00 C ATOM 934 O LEU B 175 65.714 59.441 37.195 1.00 0.00 O ATOM 935 CB LEU B 175 67.105 61.029 39.800 1.00 0.00 C ATOM 936 CG LEU B 175 68.313 60.556 38.985 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.788 61.621 37.992 1.00 0.00 C ATOM 938 CD2 LEU B 175 69.448 60.099 39.910 1.00 0.00 C ATOM 0 H LEU B 175 64.940 61.907 40.683 1.00 0.00 H new ATOM 0 HA LEU B 175 66.006 61.757 38.105 1.00 0.00 H new ATOM 0 HB2 LEU B 175 67.313 62.014 40.217 1.00 0.00 H new ATOM 0 HB3 LEU B 175 66.948 60.353 40.641 1.00 0.00 H new ATOM 0 HG LEU B 175 67.995 59.698 38.393 1.00 0.00 H new ATOM 0 HD11 LEU B 175 69.646 61.243 37.436 1.00 0.00 H new ATOM 0 HD12 LEU B 175 67.981 61.857 37.298 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.075 62.522 38.534 1.00 0.00 H new ATOM 0 HD21 LEU B 175 70.295 59.767 39.310 1.00 0.00 H new ATOM 0 HD22 LEU B 175 69.756 60.929 40.545 1.00 0.00 H new ATOM 0 HD23 LEU B 175 69.100 59.275 40.533 1.00 0.00 H new ATOM 944 N ALA B 176 64.896 58.834 39.203 1.00 0.00 N ATOM 945 CA ALA B 176 64.421 57.498 38.775 1.00 0.00 C ATOM 946 C ALA B 176 63.329 57.557 37.691 1.00 0.00 C ATOM 947 O ALA B 176 63.404 56.825 36.714 1.00 0.00 O ATOM 948 CB ALA B 176 63.963 56.689 39.990 1.00 0.00 C ATOM 0 H ALA B 176 64.736 59.028 40.192 1.00 0.00 H new ATOM 0 HA ALA B 176 65.267 56.992 38.309 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.616 55.708 39.664 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.797 56.567 40.681 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.150 57.214 40.491 1.00 0.00 H new ATOM 954 N ILE B 177 62.379 58.490 37.827 1.00 0.00 N ATOM 955 CA ILE B 177 61.369 58.762 36.773 1.00 0.00 C ATOM 956 C ILE B 177 62.099 59.130 35.455 1.00 0.00 C ATOM 957 O ILE B 177 61.923 58.437 34.457 1.00 0.00 O ATOM 958 CB ILE B 177 60.344 59.844 37.168 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.715 59.557 38.544 1.00 0.00 C ATOM 960 CG2 ILE B 177 59.231 59.911 36.114 1.00 0.00 C ATOM 961 CD1 ILE B 177 59.027 60.765 39.180 1.00 0.00 C ATOM 0 H ILE B 177 62.281 59.076 38.656 1.00 0.00 H new ATOM 0 HA ILE B 177 60.784 57.853 36.633 1.00 0.00 H new ATOM 0 HB ILE B 177 60.873 60.796 37.224 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.988 58.752 38.438 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.492 59.198 39.219 1.00 0.00 H new ATOM 0 HG21 ILE B 177 58.508 60.677 36.396 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.663 60.159 35.144 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.730 58.945 36.052 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.610 60.480 40.146 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.754 61.565 39.320 1.00 0.00 H new ATOM 0 HD13 ILE B 177 58.226 61.113 38.528 1.00 0.00 H new ATOM 965 N GLY B 178 63.060 60.044 35.566 1.00 0.00 N ATOM 966 CA GLY B 178 63.967 60.448 34.459 1.00 0.00 C ATOM 967 C GLY B 178 64.635 59.249 33.778 1.00 0.00 C ATOM 968 O GLY B 178 64.428 58.996 32.588 1.00 0.00 O ATOM 0 H GLY B 178 63.245 60.542 36.437 1.00 0.00 H new ATOM 0 HA2 GLY B 178 63.401 61.013 33.718 1.00 0.00 H new ATOM 0 HA3 GLY B 178 64.736 61.115 34.849 1.00 0.00 H new ATOM 972 N LEU B 179 65.303 58.442 34.610 1.00 0.00 N ATOM 973 CA LEU B 179 65.916 57.155 34.203 1.00 0.00 C ATOM 974 C LEU B 179 64.958 56.221 33.466 1.00 0.00 C ATOM 975 O LEU B 179 65.301 55.798 32.363 1.00 0.00 O ATOM 976 CB LEU B 179 66.516 56.426 35.407 1.00 0.00 C ATOM 977 CG LEU B 179 67.899 56.998 35.754 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.292 56.559 37.159 1.00 0.00 C ATOM 979 CD2 LEU B 179 68.949 56.481 34.772 1.00 0.00 C ATOM 0 H LEU B 179 65.439 58.659 35.597 1.00 0.00 H new ATOM 0 HA LEU B 179 66.704 57.422 33.499 1.00 0.00 H new ATOM 0 HB2 LEU B 179 65.851 56.523 36.265 1.00 0.00 H new ATOM 0 HB3 LEU B 179 66.602 55.362 35.188 1.00 0.00 H new ATOM 0 HG LEU B 179 67.850 58.085 35.696 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.273 56.965 37.406 1.00 0.00 H new ATOM 0 HD12 LEU B 179 67.557 56.927 37.874 1.00 0.00 H new ATOM 0 HD13 LEU B 179 68.328 55.470 37.203 1.00 0.00 H new ATOM 0 HD21 LEU B 179 69.924 56.895 35.030 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.991 55.393 34.824 1.00 0.00 H new ATOM 0 HD23 LEU B 179 68.682 56.786 33.760 1.00 0.00 H new ATOM 985 N GLY B 180 63.748 56.049 33.985 1.00 0.00 N ATOM 986 CA GLY B 180 62.685 55.215 33.387 1.00 0.00 C ATOM 987 C GLY B 180 62.360 55.623 31.937 1.00 0.00 C ATOM 988 O GLY B 180 62.548 54.847 31.002 1.00 0.00 O ATOM 0 H GLY B 180 63.461 56.493 34.857 1.00 0.00 H new ATOM 0 HA2 GLY B 180 62.994 54.170 33.406 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.783 55.292 33.994 1.00 0.00 H new ATOM 992 N ILE B 181 62.085 56.917 31.793 1.00 0.00 N ATOM 993 CA ILE B 181 61.788 57.566 30.494 1.00 0.00 C ATOM 994 C ILE B 181 62.957 57.338 29.499 1.00 0.00 C ATOM 995 O ILE B 181 62.751 56.787 28.415 1.00 0.00 O ATOM 996 CB ILE B 181 61.505 59.073 30.719 1.00 0.00 C ATOM 997 CG1 ILE B 181 60.453 59.317 31.808 1.00 0.00 C ATOM 998 CG2 ILE B 181 60.964 59.686 29.427 1.00 0.00 C ATOM 999 CD1 ILE B 181 60.476 60.745 32.389 1.00 0.00 C ATOM 0 H ILE B 181 62.059 57.565 32.581 1.00 0.00 H new ATOM 0 HA ILE B 181 60.897 57.118 30.054 1.00 0.00 H new ATOM 0 HB ILE B 181 62.447 59.526 31.027 1.00 0.00 H new ATOM 0 HG12 ILE B 181 59.464 59.119 31.395 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.609 58.603 32.617 1.00 0.00 H new ATOM 0 HG21 ILE B 181 60.764 60.746 29.583 1.00 0.00 H new ATOM 0 HG22 ILE B 181 61.701 59.569 28.632 1.00 0.00 H new ATOM 0 HG23 ILE B 181 60.041 59.181 29.143 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.704 60.840 33.153 1.00 0.00 H new ATOM 0 HD12 ILE B 181 61.452 60.941 32.833 1.00 0.00 H new ATOM 0 HD13 ILE B 181 60.289 61.465 31.592 1.00 0.00 H new ATOM 1003 N TYR B 182 64.179 57.589 29.970 1.00 0.00 N ATOM 1004 CA TYR B 182 65.381 57.471 29.113 1.00 0.00 C ATOM 1005 C TYR B 182 65.933 56.057 28.878 1.00 0.00 C ATOM 1006 O TYR B 182 66.505 55.825 27.804 1.00 0.00 O ATOM 1007 CB TYR B 182 66.479 58.446 29.557 1.00 0.00 C ATOM 1008 CG TYR B 182 67.042 59.154 28.311 1.00 0.00 C ATOM 1009 CD1 TYR B 182 68.015 58.505 27.525 1.00 0.00 C ATOM 1010 CD2 TYR B 182 66.403 60.332 27.858 1.00 0.00 C ATOM 1011 CE1 TYR B 182 68.325 59.014 26.242 1.00 0.00 C ATOM 1012 CE2 TYR B 182 66.704 60.832 26.569 1.00 0.00 C ATOM 1013 CZ TYR B 182 67.658 60.157 25.784 1.00 0.00 C ATOM 1014 OH TYR B 182 67.931 60.626 24.541 1.00 0.00 O ATOM 0 H TYR B 182 64.372 57.873 30.930 1.00 0.00 H new ATOM 0 HA TYR B 182 65.017 57.755 28.125 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.075 59.177 30.257 1.00 0.00 H new ATOM 0 HB3 TYR B 182 67.272 57.910 30.078 1.00 0.00 H new ATOM 0 HD1 TYR B 182 68.520 57.626 27.899 1.00 0.00 H new ATOM 0 HD2 TYR B 182 65.693 60.845 28.490 1.00 0.00 H new ATOM 0 HE1 TYR B 182 69.066 58.528 25.624 1.00 0.00 H new ATOM 0 HE2 TYR B 182 66.210 61.716 26.194 1.00 0.00 H new ATOM 0 HH TYR B 182 67.389 61.424 24.366 1.00 0.00 H new ATOM 1019 N ILE B 183 65.785 55.125 29.821 1.00 0.00 N ATOM 1020 CA ILE B 183 66.119 53.699 29.571 1.00 0.00 C ATOM 1021 C ILE B 183 65.157 53.074 28.542 1.00 0.00 C ATOM 1022 O ILE B 183 65.600 52.464 27.580 1.00 0.00 O ATOM 1023 CB ILE B 183 66.244 52.823 30.841 1.00 0.00 C ATOM 1024 CG1 ILE B 183 64.948 52.747 31.672 1.00 0.00 C ATOM 1025 CG2 ILE B 183 67.457 53.279 31.663 1.00 0.00 C ATOM 1026 CD1 ILE B 183 64.951 51.670 32.769 1.00 0.00 C ATOM 0 H ILE B 183 65.440 55.317 30.761 1.00 0.00 H new ATOM 0 HA ILE B 183 67.125 53.714 29.151 1.00 0.00 H new ATOM 0 HB ILE B 183 66.410 51.795 30.520 1.00 0.00 H new ATOM 0 HG12 ILE B 183 64.772 53.718 32.135 1.00 0.00 H new ATOM 0 HG13 ILE B 183 64.111 52.559 30.999 1.00 0.00 H new ATOM 0 HG21 ILE B 183 67.544 52.661 32.557 1.00 0.00 H new ATOM 0 HG22 ILE B 183 68.362 53.178 31.063 1.00 0.00 H new ATOM 0 HG23 ILE B 183 67.328 54.322 31.954 1.00 0.00 H new ATOM 0 HD11 ILE B 183 64.000 51.690 33.301 1.00 0.00 H new ATOM 0 HD12 ILE B 183 65.092 50.689 32.315 1.00 0.00 H new ATOM 0 HD13 ILE B 183 65.763 51.866 33.469 1.00 0.00 H new