USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 170 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 173 HIS : +bothHN:sc= 1.51 K(o=3.7,f=-7.6!) USER MOD Set 1.2: B 172 SER OG : rot -32:sc= 2.17 USER MOD Set 2.1: A 172 SER OG : rot -33:sc= 1.82 USER MOD Set 2.2: B 173 HIS : no HD1:sc= 0.556 K(o=2.4,f=-4!) USER MOD Single : A 168 SER OG : rot 180:sc= 0.00398 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 67.962 49.601 52.019 1.00 0.00 N ATOM 261 CA LEU A 166 67.997 49.618 50.537 1.00 0.00 C ATOM 262 C LEU A 166 67.037 48.700 49.750 1.00 0.00 C ATOM 263 O LEU A 166 66.694 49.089 48.644 1.00 0.00 O ATOM 264 CB LEU A 166 69.422 49.555 49.960 1.00 0.00 C ATOM 265 CG LEU A 166 70.133 50.902 50.071 1.00 0.00 C ATOM 266 CD1 LEU A 166 71.547 50.769 49.507 1.00 0.00 C ATOM 267 CD2 LEU A 166 69.399 52.024 49.325 1.00 0.00 C ATOM 0 HA LEU A 166 67.569 50.605 50.362 1.00 0.00 H new ATOM 0 HB2 LEU A 166 69.996 48.795 50.490 1.00 0.00 H new ATOM 0 HB3 LEU A 166 69.379 49.251 48.914 1.00 0.00 H new ATOM 0 HG LEU A 166 70.154 51.173 51.127 1.00 0.00 H new ATOM 0 HD11 LEU A 166 72.061 51.727 49.583 1.00 0.00 H new ATOM 0 HD12 LEU A 166 72.096 50.017 50.074 1.00 0.00 H new ATOM 0 HD13 LEU A 166 71.495 50.467 48.461 1.00 0.00 H new ATOM 0 HD21 LEU A 166 69.950 52.958 49.439 1.00 0.00 H new ATOM 0 HD22 LEU A 166 69.328 51.771 48.267 1.00 0.00 H new ATOM 0 HD23 LEU A 166 68.397 52.141 49.739 1.00 0.00 H new ATOM 273 N PRO A 167 66.575 47.554 50.290 1.00 0.00 N ATOM 274 CA PRO A 167 65.417 46.844 49.717 1.00 0.00 C ATOM 275 C PRO A 167 64.205 47.769 49.532 1.00 0.00 C ATOM 276 O PRO A 167 64.034 48.287 48.432 1.00 0.00 O ATOM 277 CB PRO A 167 65.187 45.653 50.653 1.00 0.00 C ATOM 278 CG PRO A 167 66.617 45.301 51.028 1.00 0.00 C ATOM 279 CD PRO A 167 67.286 46.662 51.228 1.00 0.00 C ATOM 0 HA PRO A 167 65.595 46.490 48.702 1.00 0.00 H new ATOM 0 HB2 PRO A 167 64.586 45.921 51.522 1.00 0.00 H new ATOM 0 HB3 PRO A 167 64.676 44.829 50.155 1.00 0.00 H new ATOM 0 HG2 PRO A 167 66.656 44.699 51.936 1.00 0.00 H new ATOM 0 HG3 PRO A 167 67.107 44.726 50.242 1.00 0.00 H new ATOM 0 HD2 PRO A 167 67.188 47.007 52.257 1.00 0.00 H new ATOM 0 HD3 PRO A 167 68.352 46.619 51.006 1.00 0.00 H new ATOM 285 N SER A 168 63.555 48.182 50.619 1.00 0.00 N ATOM 286 CA SER A 168 62.390 49.104 50.568 1.00 0.00 C ATOM 287 C SER A 168 62.651 50.434 49.847 1.00 0.00 C ATOM 288 O SER A 168 61.852 50.839 48.998 1.00 0.00 O ATOM 289 CB SER A 168 61.818 49.376 51.959 1.00 0.00 C ATOM 290 OG SER A 168 62.856 49.563 52.912 1.00 0.00 O ATOM 0 H SER A 168 63.810 47.895 51.564 1.00 0.00 H new ATOM 0 HA SER A 168 61.656 48.567 49.967 1.00 0.00 H new ATOM 0 HB2 SER A 168 61.185 50.263 51.928 1.00 0.00 H new ATOM 0 HB3 SER A 168 61.185 48.543 52.265 1.00 0.00 H new ATOM 0 HG SER A 168 62.464 49.737 53.793 1.00 0.00 H new ATOM 296 N LEU A 169 63.818 51.031 50.105 1.00 0.00 N ATOM 297 CA LEU A 169 64.277 52.244 49.401 1.00 0.00 C ATOM 298 C LEU A 169 64.335 52.090 47.879 1.00 0.00 C ATOM 299 O LEU A 169 63.471 52.632 47.191 1.00 0.00 O ATOM 300 CB LEU A 169 65.610 52.744 49.977 1.00 0.00 C ATOM 301 CG LEU A 169 65.397 53.408 51.333 1.00 0.00 C ATOM 302 CD1 LEU A 169 66.730 53.529 52.050 1.00 0.00 C ATOM 303 CD2 LEU A 169 64.785 54.799 51.178 1.00 0.00 C ATOM 0 H LEU A 169 64.475 50.691 50.807 1.00 0.00 H new ATOM 0 HA LEU A 169 63.518 53.005 49.582 1.00 0.00 H new ATOM 0 HB2 LEU A 169 66.303 51.909 50.080 1.00 0.00 H new ATOM 0 HB3 LEU A 169 66.067 53.454 49.287 1.00 0.00 H new ATOM 0 HG LEU A 169 64.710 52.790 51.911 1.00 0.00 H new ATOM 0 HD11 LEU A 169 66.580 54.004 53.020 1.00 0.00 H new ATOM 0 HD12 LEU A 169 67.157 52.537 52.194 1.00 0.00 H new ATOM 0 HD13 LEU A 169 67.411 54.134 51.452 1.00 0.00 H new ATOM 0 HD21 LEU A 169 64.645 55.247 52.162 1.00 0.00 H new ATOM 0 HD22 LEU A 169 65.451 55.426 50.585 1.00 0.00 H new ATOM 0 HD23 LEU A 169 63.821 54.718 50.676 1.00 0.00 H new ATOM 309 N LEU A 170 65.159 51.160 47.372 1.00 0.00 N ATOM 310 CA LEU A 170 65.260 50.910 45.925 1.00 0.00 C ATOM 311 C LEU A 170 64.026 50.233 45.295 1.00 0.00 C ATOM 312 O LEU A 170 63.845 50.303 44.086 1.00 0.00 O ATOM 313 CB LEU A 170 66.553 50.165 45.582 1.00 0.00 C ATOM 314 CG LEU A 170 67.780 51.065 45.751 1.00 0.00 C ATOM 315 CD1 LEU A 170 69.045 50.214 45.721 1.00 0.00 C ATOM 316 CD2 LEU A 170 67.843 52.131 44.646 1.00 0.00 C ATOM 0 H LEU A 170 65.765 50.569 47.942 1.00 0.00 H new ATOM 0 HA LEU A 170 65.292 51.898 45.467 1.00 0.00 H new ATOM 0 HB2 LEU A 170 66.651 49.290 46.224 1.00 0.00 H new ATOM 0 HB3 LEU A 170 66.504 49.803 44.555 1.00 0.00 H new ATOM 0 HG LEU A 170 67.702 51.576 46.711 1.00 0.00 H new ATOM 0 HD11 LEU A 170 69.918 50.855 45.841 1.00 0.00 H new ATOM 0 HD12 LEU A 170 69.014 49.487 46.533 1.00 0.00 H new ATOM 0 HD13 LEU A 170 69.109 49.690 44.767 1.00 0.00 H new ATOM 0 HD21 LEU A 170 68.725 52.755 44.792 1.00 0.00 H new ATOM 0 HD22 LEU A 170 67.901 51.643 43.673 1.00 0.00 H new ATOM 0 HD23 LEU A 170 66.948 52.752 44.688 1.00 0.00 H new ATOM 322 N LEU A 171 63.175 49.621 46.118 1.00 0.00 N ATOM 323 CA LEU A 171 61.819 49.202 45.697 1.00 0.00 C ATOM 324 C LEU A 171 60.883 50.403 45.414 1.00 0.00 C ATOM 325 O LEU A 171 60.147 50.395 44.431 1.00 0.00 O ATOM 326 CB LEU A 171 61.201 48.249 46.719 1.00 0.00 C ATOM 327 CG LEU A 171 61.811 46.847 46.671 1.00 0.00 C ATOM 328 CD1 LEU A 171 61.319 46.034 47.870 1.00 0.00 C ATOM 329 CD2 LEU A 171 61.462 46.107 45.380 1.00 0.00 C ATOM 0 H LEU A 171 63.394 49.399 47.089 1.00 0.00 H new ATOM 0 HA LEU A 171 61.933 48.669 44.753 1.00 0.00 H new ATOM 0 HB2 LEU A 171 61.332 48.662 47.719 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.128 48.179 46.541 1.00 0.00 H new ATOM 0 HG LEU A 171 62.895 46.960 46.705 1.00 0.00 H new ATOM 0 HD11 LEU A 171 61.754 45.035 47.835 1.00 0.00 H new ATOM 0 HD12 LEU A 171 61.620 46.529 48.793 1.00 0.00 H new ATOM 0 HD13 LEU A 171 60.232 45.958 47.837 1.00 0.00 H new ATOM 0 HD21 LEU A 171 61.918 45.117 45.393 1.00 0.00 H new ATOM 0 HD22 LEU A 171 60.380 46.007 45.299 1.00 0.00 H new ATOM 0 HD23 LEU A 171 61.839 46.669 44.525 1.00 0.00 H new ATOM 335 N SER A 172 60.954 51.434 46.261 1.00 0.00 N ATOM 336 CA SER A 172 60.292 52.737 45.986 1.00 0.00 C ATOM 337 C SER A 172 60.836 53.414 44.709 1.00 0.00 C ATOM 338 O SER A 172 60.096 54.084 43.996 1.00 0.00 O ATOM 339 CB SER A 172 60.379 53.698 47.187 1.00 0.00 C ATOM 340 OG SER A 172 61.594 54.453 47.209 1.00 0.00 O ATOM 0 H SER A 172 61.460 51.403 47.146 1.00 0.00 H new ATOM 0 HA SER A 172 59.240 52.508 45.816 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.532 54.383 47.160 1.00 0.00 H new ATOM 0 HB3 SER A 172 60.296 53.125 48.111 1.00 0.00 H new ATOM 0 HG SER A 172 62.324 53.909 46.845 1.00 0.00 H new ATOM 346 N HIS A 173 62.134 53.230 44.453 1.00 0.00 N ATOM 347 CA HIS A 173 62.769 53.668 43.196 1.00 0.00 C ATOM 348 C HIS A 173 62.385 52.796 41.986 1.00 0.00 C ATOM 349 O HIS A 173 62.183 53.350 40.912 1.00 0.00 O ATOM 350 CB HIS A 173 64.293 53.757 43.350 1.00 0.00 C ATOM 351 CG HIS A 173 64.670 54.872 44.332 1.00 0.00 C ATOM 352 ND1 HIS A 173 64.735 54.754 45.655 1.00 0.00 N ATOM 353 CD2 HIS A 173 64.850 56.154 44.024 1.00 0.00 C ATOM 354 CE1 HIS A 173 64.952 55.955 46.166 1.00 0.00 C ATOM 355 NE2 HIS A 173 65.021 56.825 45.166 1.00 0.00 N ATOM 0 H HIS A 173 62.775 52.777 45.104 1.00 0.00 H new ATOM 0 HA HIS A 173 62.381 54.665 42.989 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.685 52.804 43.705 1.00 0.00 H new ATOM 0 HB3 HIS A 173 64.752 53.948 42.380 1.00 0.00 H new ATOM 0 HD1 HIS A 173 64.635 53.888 46.184 1.00 0.00 H new ATOM 0 HD2 HIS A 173 64.857 56.576 43.030 1.00 0.00 H new ATOM 0 HE1 HIS A 173 65.055 56.187 47.216 1.00 0.00 H new ATOM 0 HE2 HIS A 173 65.177 57.829 45.254 1.00 0.00 H new ATOM 360 N LEU A 174 62.269 51.483 42.172 1.00 0.00 N ATOM 361 CA LEU A 174 61.671 50.578 41.165 1.00 0.00 C ATOM 362 C LEU A 174 60.289 51.077 40.706 1.00 0.00 C ATOM 363 O LEU A 174 60.086 51.254 39.498 1.00 0.00 O ATOM 364 CB LEU A 174 61.583 49.147 41.734 1.00 0.00 C ATOM 365 CG LEU A 174 61.043 48.115 40.730 1.00 0.00 C ATOM 366 CD1 LEU A 174 62.019 47.865 39.579 1.00 0.00 C ATOM 367 CD2 LEU A 174 60.726 46.812 41.460 1.00 0.00 C ATOM 0 H LEU A 174 62.582 51.008 43.018 1.00 0.00 H new ATOM 0 HA LEU A 174 62.316 50.569 40.286 1.00 0.00 H new ATOM 0 HB2 LEU A 174 62.574 48.835 42.065 1.00 0.00 H new ATOM 0 HB3 LEU A 174 60.941 49.154 42.615 1.00 0.00 H new ATOM 0 HG LEU A 174 60.132 48.518 40.289 1.00 0.00 H new ATOM 0 HD11 LEU A 174 61.595 47.129 38.896 1.00 0.00 H new ATOM 0 HD12 LEU A 174 62.197 48.798 39.044 1.00 0.00 H new ATOM 0 HD13 LEU A 174 62.962 47.490 39.977 1.00 0.00 H new ATOM 0 HD21 LEU A 174 60.343 46.080 40.749 1.00 0.00 H new ATOM 0 HD22 LEU A 174 61.633 46.426 41.925 1.00 0.00 H new ATOM 0 HD23 LEU A 174 59.975 46.999 42.228 1.00 0.00 H new ATOM 373 N LEU A 175 59.436 51.451 41.668 1.00 0.00 N ATOM 374 CA LEU A 175 58.174 52.168 41.396 1.00 0.00 C ATOM 375 C LEU A 175 58.377 53.388 40.475 1.00 0.00 C ATOM 376 O LEU A 175 57.823 53.450 39.386 1.00 0.00 O ATOM 377 CB LEU A 175 57.497 52.650 42.690 1.00 0.00 C ATOM 378 CG LEU A 175 56.999 51.548 43.622 1.00 0.00 C ATOM 379 CD1 LEU A 175 56.554 52.203 44.929 1.00 0.00 C ATOM 380 CD2 LEU A 175 55.817 50.774 43.035 1.00 0.00 C ATOM 0 H LEU A 175 59.597 51.267 42.658 1.00 0.00 H new ATOM 0 HA LEU A 175 57.534 51.442 40.894 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.203 53.274 43.238 1.00 0.00 H new ATOM 0 HB3 LEU A 175 56.652 53.285 42.423 1.00 0.00 H new ATOM 0 HG LEU A 175 57.812 50.838 43.775 1.00 0.00 H new ATOM 0 HD11 LEU A 175 56.193 51.437 45.615 1.00 0.00 H new ATOM 0 HD12 LEU A 175 57.398 52.725 45.380 1.00 0.00 H new ATOM 0 HD13 LEU A 175 55.754 52.915 44.725 1.00 0.00 H new ATOM 0 HD21 LEU A 175 55.502 50.003 43.738 1.00 0.00 H new ATOM 0 HD22 LEU A 175 54.989 51.458 42.852 1.00 0.00 H new ATOM 0 HD23 LEU A 175 56.117 50.309 42.096 1.00 0.00 H new ATOM 386 N ALA A 176 59.256 54.297 40.901 1.00 0.00 N ATOM 387 CA ALA A 176 59.618 55.507 40.134 1.00 0.00 C ATOM 388 C ALA A 176 60.132 55.240 38.702 1.00 0.00 C ATOM 389 O ALA A 176 59.557 55.758 37.748 1.00 0.00 O ATOM 390 CB ALA A 176 60.617 56.334 40.936 1.00 0.00 C ATOM 0 H ALA A 176 59.744 54.221 41.793 1.00 0.00 H new ATOM 0 HA ALA A 176 58.694 56.066 39.987 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.886 57.227 40.372 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.169 56.626 41.886 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.512 55.741 41.124 1.00 0.00 H new ATOM 396 N ILE A 177 61.133 54.370 38.569 1.00 0.00 N ATOM 397 CA ILE A 177 61.686 53.922 37.267 1.00 0.00 C ATOM 398 C ILE A 177 60.562 53.325 36.380 1.00 0.00 C ATOM 399 O ILE A 177 60.385 53.758 35.243 1.00 0.00 O ATOM 400 CB ILE A 177 62.862 52.941 37.490 1.00 0.00 C ATOM 401 CG1 ILE A 177 63.983 53.620 38.284 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.444 52.443 36.154 1.00 0.00 C ATOM 403 CD1 ILE A 177 64.862 52.649 39.081 1.00 0.00 C ATOM 0 H ILE A 177 61.598 53.943 39.370 1.00 0.00 H new ATOM 0 HA ILE A 177 62.090 54.780 36.729 1.00 0.00 H new ATOM 0 HB ILE A 177 62.468 52.091 38.047 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.613 54.182 37.594 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.541 54.341 38.972 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.268 51.756 36.349 1.00 0.00 H new ATOM 0 HG22 ILE A 177 62.668 51.927 35.589 1.00 0.00 H new ATOM 0 HG23 ILE A 177 63.809 53.293 35.577 1.00 0.00 H new ATOM 0 HD11 ILE A 177 65.631 53.208 39.615 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.246 52.105 39.797 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.335 51.943 38.399 1.00 0.00 H new ATOM 407 N GLY A 178 59.757 52.453 36.977 1.00 0.00 N ATOM 408 CA GLY A 178 58.547 51.869 36.370 1.00 0.00 C ATOM 409 C GLY A 178 57.617 52.929 35.764 1.00 0.00 C ATOM 410 O GLY A 178 57.406 52.970 34.551 1.00 0.00 O ATOM 0 H GLY A 178 59.926 52.117 37.925 1.00 0.00 H new ATOM 0 HA2 GLY A 178 58.840 51.162 35.594 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.003 51.304 37.127 1.00 0.00 H new ATOM 414 N LEU A 179 57.209 53.863 36.621 1.00 0.00 N ATOM 415 CA LEU A 179 56.378 55.028 36.248 1.00 0.00 C ATOM 416 C LEU A 179 56.977 55.828 35.080 1.00 0.00 C ATOM 417 O LEU A 179 56.260 56.147 34.127 1.00 0.00 O ATOM 418 CB LEU A 179 56.167 55.944 37.465 1.00 0.00 C ATOM 419 CG LEU A 179 55.152 57.067 37.188 1.00 0.00 C ATOM 420 CD1 LEU A 179 53.729 56.526 37.016 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.209 58.111 38.302 1.00 0.00 C ATOM 0 H LEU A 179 57.445 53.840 37.613 1.00 0.00 H new ATOM 0 HA LEU A 179 55.416 54.640 35.913 1.00 0.00 H new ATOM 0 HB2 LEU A 179 55.822 55.347 38.309 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.121 56.384 37.754 1.00 0.00 H new ATOM 0 HG LEU A 179 55.426 57.540 36.245 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.046 57.353 36.822 1.00 0.00 H new ATOM 0 HD12 LEU A 179 53.703 55.830 36.177 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.424 56.009 37.926 1.00 0.00 H new ATOM 0 HD21 LEU A 179 54.487 58.902 38.097 1.00 0.00 H new ATOM 0 HD22 LEU A 179 54.970 57.639 39.255 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.211 58.538 38.350 1.00 0.00 H new ATOM 427 N GLY A 180 58.278 56.091 35.159 1.00 0.00 N ATOM 428 CA GLY A 180 59.069 56.804 34.131 1.00 0.00 C ATOM 429 C GLY A 180 58.799 56.324 32.697 1.00 0.00 C ATOM 430 O GLY A 180 58.249 57.071 31.886 1.00 0.00 O ATOM 0 H GLY A 180 58.840 55.809 35.962 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.852 57.870 34.194 1.00 0.00 H new ATOM 0 HA3 GLY A 180 60.129 56.681 34.352 1.00 0.00 H new ATOM 434 N ILE A 181 58.988 55.020 32.511 1.00 0.00 N ATOM 435 CA ILE A 181 58.778 54.352 31.202 1.00 0.00 C ATOM 436 C ILE A 181 57.312 54.554 30.746 1.00 0.00 C ATOM 437 O ILE A 181 57.068 55.187 29.718 1.00 0.00 O ATOM 438 CB ILE A 181 59.082 52.843 31.243 1.00 0.00 C ATOM 439 CG1 ILE A 181 60.296 52.492 32.116 1.00 0.00 C ATOM 440 CG2 ILE A 181 59.380 52.389 29.806 1.00 0.00 C ATOM 441 CD1 ILE A 181 60.109 51.141 32.814 1.00 0.00 C ATOM 0 H ILE A 181 59.290 54.387 33.252 1.00 0.00 H new ATOM 0 HA ILE A 181 59.474 54.810 30.499 1.00 0.00 H new ATOM 0 HB ILE A 181 58.216 52.342 31.676 1.00 0.00 H new ATOM 0 HG12 ILE A 181 61.194 52.463 31.499 1.00 0.00 H new ATOM 0 HG13 ILE A 181 60.447 53.272 32.863 1.00 0.00 H new ATOM 0 HG21 ILE A 181 59.600 51.321 29.800 1.00 0.00 H new ATOM 0 HG22 ILE A 181 58.513 52.584 29.175 1.00 0.00 H new ATOM 0 HG23 ILE A 181 60.239 52.939 29.422 1.00 0.00 H new ATOM 0 HD11 ILE A 181 60.986 50.922 33.424 1.00 0.00 H new ATOM 0 HD12 ILE A 181 59.225 51.179 33.450 1.00 0.00 H new ATOM 0 HD13 ILE A 181 59.983 50.359 32.065 1.00 0.00 H new ATOM 445 N TYR A 182 56.395 54.190 31.647 1.00 0.00 N ATOM 446 CA TYR A 182 54.939 54.306 31.435 1.00 0.00 C ATOM 447 C TYR A 182 54.502 55.720 30.983 1.00 0.00 C ATOM 448 O TYR A 182 54.040 55.881 29.854 1.00 0.00 O ATOM 449 CB TYR A 182 54.182 53.845 32.694 1.00 0.00 C ATOM 450 CG TYR A 182 52.664 53.812 32.498 1.00 0.00 C ATOM 451 CD1 TYR A 182 52.114 52.867 31.595 1.00 0.00 C ATOM 452 CD2 TYR A 182 51.893 54.918 32.949 1.00 0.00 C ATOM 453 CE1 TYR A 182 50.827 53.069 31.095 1.00 0.00 C ATOM 454 CE2 TYR A 182 50.602 55.120 32.430 1.00 0.00 C ATOM 455 CZ TYR A 182 50.086 54.202 31.479 1.00 0.00 C ATOM 456 OH TYR A 182 48.977 54.515 30.782 1.00 0.00 O ATOM 0 H TYR A 182 56.640 53.801 32.557 1.00 0.00 H new ATOM 0 HA TYR A 182 54.677 53.645 30.609 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.528 52.851 32.976 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.422 54.513 33.521 1.00 0.00 H new ATOM 0 HD1 TYR A 182 52.685 52.000 31.297 1.00 0.00 H new ATOM 0 HD2 TYR A 182 52.296 55.598 33.685 1.00 0.00 H new ATOM 0 HE1 TYR A 182 50.398 52.353 30.410 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.010 55.964 32.751 1.00 0.00 H new ATOM 0 HH TYR A 182 48.568 55.321 31.162 1.00 0.00 H new ATOM 461 N ILE A 183 54.812 56.724 31.797 1.00 0.00 N ATOM 462 CA ILE A 183 54.401 58.122 31.524 1.00 0.00 C ATOM 463 C ILE A 183 54.947 58.706 30.218 1.00 0.00 C ATOM 464 O ILE A 183 54.194 59.326 29.468 1.00 0.00 O ATOM 465 CB ILE A 183 54.580 59.091 32.718 1.00 0.00 C ATOM 466 CG1 ILE A 183 55.998 59.174 33.309 1.00 0.00 C ATOM 467 CG2 ILE A 183 53.555 58.773 33.811 1.00 0.00 C ATOM 468 CD1 ILE A 183 56.921 60.121 32.536 1.00 0.00 C ATOM 0 H ILE A 183 55.348 56.608 32.657 1.00 0.00 H new ATOM 0 HA ILE A 183 53.325 58.030 31.377 1.00 0.00 H new ATOM 0 HB ILE A 183 54.406 60.083 32.302 1.00 0.00 H new ATOM 0 HG12 ILE A 183 55.934 59.506 34.345 1.00 0.00 H new ATOM 0 HG13 ILE A 183 56.439 58.177 33.320 1.00 0.00 H new ATOM 0 HG21 ILE A 183 53.689 59.460 34.647 1.00 0.00 H new ATOM 0 HG22 ILE A 183 52.548 58.883 33.409 1.00 0.00 H new ATOM 0 HG23 ILE A 183 53.698 57.749 34.157 1.00 0.00 H new ATOM 0 HD11 ILE A 183 57.905 60.133 33.005 1.00 0.00 H new ATOM 0 HD12 ILE A 183 57.014 59.778 31.506 1.00 0.00 H new ATOM 0 HD13 ILE A 183 56.502 61.127 32.547 1.00 0.00 H new ATOM 472 N GLY A 184 56.196 58.372 29.884 1.00 0.00 N ATOM 473 CA GLY A 184 56.852 58.789 28.623 1.00 0.00 C ATOM 474 C GLY A 184 56.106 58.301 27.369 1.00 0.00 C ATOM 475 O GLY A 184 55.870 59.056 26.429 1.00 0.00 O ATOM 0 H GLY A 184 56.793 57.800 30.481 1.00 0.00 H new ATOM 0 HA2 GLY A 184 56.921 59.877 28.598 1.00 0.00 H new ATOM 0 HA3 GLY A 184 57.872 58.404 28.606 1.00 0.00 H new ATOM 479 N ARG A 185 55.767 57.018 27.402 1.00 0.00 N ATOM 480 CA ARG A 185 54.940 56.357 26.370 1.00 0.00 C ATOM 481 C ARG A 185 53.558 57.020 26.233 1.00 0.00 C ATOM 482 O ARG A 185 53.207 57.523 25.167 1.00 0.00 O ATOM 483 CB ARG A 185 54.810 54.856 26.675 1.00 0.00 C ATOM 484 CG ARG A 185 56.161 54.127 26.687 1.00 0.00 C ATOM 485 CD ARG A 185 56.827 54.018 25.305 1.00 0.00 C ATOM 486 NE ARG A 185 56.130 53.010 24.502 1.00 0.00 N ATOM 487 CZ ARG A 185 56.672 52.106 23.670 1.00 0.00 C ATOM 488 NH1 ARG A 185 57.933 52.123 23.254 1.00 0.00 N ATOM 489 NH2 ARG A 185 55.864 51.181 23.161 1.00 0.00 N ATOM 0 H ARG A 185 56.057 56.389 28.151 1.00 0.00 H new ATOM 0 HA ARG A 185 55.443 56.474 25.410 1.00 0.00 H new ATOM 0 HB2 ARG A 185 54.326 54.728 27.643 1.00 0.00 H new ATOM 0 HB3 ARG A 185 54.161 54.395 25.931 1.00 0.00 H new ATOM 0 HG2 ARG A 185 56.837 54.648 27.364 1.00 0.00 H new ATOM 0 HG3 ARG A 185 56.017 53.124 27.089 1.00 0.00 H new ATOM 0 HD2 ARG A 185 56.799 54.983 24.799 1.00 0.00 H new ATOM 0 HD3 ARG A 185 57.877 53.747 25.416 1.00 0.00 H new ATOM 0 HE ARG A 185 55.113 52.993 24.585 1.00 0.00 H new ATOM 0 HH11 ARG A 185 58.564 52.860 23.568 1.00 0.00 H new ATOM 0 HH12 ARG A 185 58.271 51.399 22.620 1.00 0.00 H new ATOM 0 HH21 ARG A 185 54.874 51.177 23.407 1.00 0.00 H new ATOM 0 HH22 ARG A 185 56.234 50.475 22.525 1.00 0.00 H new ATOM 802 N PHE B 165 64.498 64.471 54.630 1.00 0.00 N ATOM 803 CA PHE B 165 64.409 63.189 53.915 1.00 0.00 C ATOM 804 C PHE B 165 63.426 63.195 52.723 1.00 0.00 C ATOM 805 O PHE B 165 63.757 62.686 51.657 1.00 0.00 O ATOM 806 CB PHE B 165 64.076 62.083 54.918 1.00 0.00 C ATOM 807 CG PHE B 165 64.036 60.676 54.309 1.00 0.00 C ATOM 808 CD1 PHE B 165 65.189 60.121 53.682 1.00 0.00 C ATOM 809 CD2 PHE B 165 62.886 59.891 54.520 1.00 0.00 C ATOM 810 CE1 PHE B 165 65.166 58.768 53.281 1.00 0.00 C ATOM 811 CE2 PHE B 165 62.880 58.524 54.136 1.00 0.00 C ATOM 812 CZ PHE B 165 64.028 57.977 53.520 1.00 0.00 C ATOM 0 HA PHE B 165 65.382 63.002 53.461 1.00 0.00 H new ATOM 0 HB2 PHE B 165 64.815 62.099 55.719 1.00 0.00 H new ATOM 0 HB3 PHE B 165 63.109 62.298 55.372 1.00 0.00 H new ATOM 0 HD1 PHE B 165 66.068 60.727 53.516 1.00 0.00 H new ATOM 0 HD2 PHE B 165 62.009 60.329 54.974 1.00 0.00 H new ATOM 0 HE1 PHE B 165 66.026 58.338 52.789 1.00 0.00 H new ATOM 0 HE2 PHE B 165 62.009 57.910 54.313 1.00 0.00 H new ATOM 0 HZ PHE B 165 64.032 56.937 53.229 1.00 0.00 H new ATOM 818 N LEU B 166 62.242 63.788 52.907 1.00 0.00 N ATOM 819 CA LEU B 166 61.276 63.953 51.810 1.00 0.00 C ATOM 820 C LEU B 166 61.863 64.681 50.575 1.00 0.00 C ATOM 821 O LEU B 166 61.706 64.145 49.478 1.00 0.00 O ATOM 822 CB LEU B 166 59.934 64.523 52.309 1.00 0.00 C ATOM 823 CG LEU B 166 58.874 64.651 51.210 1.00 0.00 C ATOM 824 CD1 LEU B 166 58.460 63.291 50.638 1.00 0.00 C ATOM 825 CD2 LEU B 166 57.657 65.415 51.732 1.00 0.00 C ATOM 0 H LEU B 166 61.928 64.162 53.802 1.00 0.00 H new ATOM 0 HA LEU B 166 61.050 62.954 51.436 1.00 0.00 H new ATOM 0 HB2 LEU B 166 59.548 63.881 53.101 1.00 0.00 H new ATOM 0 HB3 LEU B 166 60.108 65.504 52.751 1.00 0.00 H new ATOM 0 HG LEU B 166 59.321 65.214 50.391 1.00 0.00 H new ATOM 0 HD11 LEU B 166 57.707 63.436 49.863 1.00 0.00 H new ATOM 0 HD12 LEU B 166 59.331 62.796 50.209 1.00 0.00 H new ATOM 0 HD13 LEU B 166 58.046 62.672 51.434 1.00 0.00 H new ATOM 0 HD21 LEU B 166 56.912 65.498 50.940 1.00 0.00 H new ATOM 0 HD22 LEU B 166 57.228 64.880 52.579 1.00 0.00 H new ATOM 0 HD23 LEU B 166 57.962 66.412 52.049 1.00 0.00 H new ATOM 831 N PRO B 167 62.662 65.767 50.727 1.00 0.00 N ATOM 832 CA PRO B 167 63.436 66.337 49.604 1.00 0.00 C ATOM 833 C PRO B 167 64.331 65.311 48.894 1.00 0.00 C ATOM 834 O PRO B 167 64.229 65.177 47.675 1.00 0.00 O ATOM 835 CB PRO B 167 64.257 67.469 50.229 1.00 0.00 C ATOM 836 CG PRO B 167 63.370 67.952 51.358 1.00 0.00 C ATOM 837 CD PRO B 167 62.705 66.677 51.887 1.00 0.00 C ATOM 0 HA PRO B 167 62.771 66.689 48.816 1.00 0.00 H new ATOM 0 HB2 PRO B 167 65.220 67.114 50.596 1.00 0.00 H new ATOM 0 HB3 PRO B 167 64.463 68.262 49.510 1.00 0.00 H new ATOM 0 HG2 PRO B 167 63.950 68.450 52.135 1.00 0.00 H new ATOM 0 HG3 PRO B 167 62.630 68.669 51.004 1.00 0.00 H new ATOM 0 HD2 PRO B 167 63.276 66.244 52.709 1.00 0.00 H new ATOM 0 HD3 PRO B 167 61.704 66.881 52.267 1.00 0.00 H new ATOM 843 N SER B 168 65.157 64.579 49.644 1.00 0.00 N ATOM 844 CA SER B 168 65.979 63.465 49.112 1.00 0.00 C ATOM 845 C SER B 168 65.166 62.421 48.341 1.00 0.00 C ATOM 846 O SER B 168 65.501 62.116 47.188 1.00 0.00 O ATOM 847 CB SER B 168 66.748 62.812 50.257 1.00 0.00 C ATOM 848 OG SER B 168 67.524 63.845 50.872 1.00 0.00 O ATOM 0 H SER B 168 65.283 64.735 50.644 1.00 0.00 H new ATOM 0 HA SER B 168 66.673 63.893 48.389 1.00 0.00 H new ATOM 0 HB2 SER B 168 66.063 62.362 50.976 1.00 0.00 H new ATOM 0 HB3 SER B 168 67.391 62.014 49.886 1.00 0.00 H new ATOM 0 HG SER B 168 68.036 63.469 51.618 1.00 0.00 H new ATOM 854 N LEU B 169 64.054 61.956 48.924 1.00 0.00 N ATOM 855 CA LEU B 169 63.061 61.104 48.233 1.00 0.00 C ATOM 856 C LEU B 169 62.629 61.713 46.884 1.00 0.00 C ATOM 857 O LEU B 169 63.169 61.293 45.869 1.00 0.00 O ATOM 858 CB LEU B 169 61.829 60.842 49.107 1.00 0.00 C ATOM 859 CG LEU B 169 62.157 60.068 50.388 1.00 0.00 C ATOM 860 CD1 LEU B 169 60.938 60.083 51.304 1.00 0.00 C ATOM 861 CD2 LEU B 169 62.585 58.622 50.089 1.00 0.00 C ATOM 0 H LEU B 169 63.811 62.158 49.894 1.00 0.00 H new ATOM 0 HA LEU B 169 63.553 60.151 48.040 1.00 0.00 H new ATOM 0 HB2 LEU B 169 61.369 61.794 49.372 1.00 0.00 H new ATOM 0 HB3 LEU B 169 61.093 60.283 48.529 1.00 0.00 H new ATOM 0 HG LEU B 169 62.999 60.555 50.880 1.00 0.00 H new ATOM 0 HD11 LEU B 169 61.163 59.534 52.218 1.00 0.00 H new ATOM 0 HD12 LEU B 169 60.682 61.113 51.553 1.00 0.00 H new ATOM 0 HD13 LEU B 169 60.096 59.613 50.797 1.00 0.00 H new ATOM 0 HD21 LEU B 169 62.809 58.108 51.024 1.00 0.00 H new ATOM 0 HD22 LEU B 169 61.777 58.103 49.574 1.00 0.00 H new ATOM 0 HD23 LEU B 169 63.473 58.629 49.457 1.00 0.00 H new ATOM 867 N LEU B 170 62.067 62.919 46.959 1.00 0.00 N ATOM 868 CA LEU B 170 61.624 63.716 45.791 1.00 0.00 C ATOM 869 C LEU B 170 62.684 63.872 44.686 1.00 0.00 C ATOM 870 O LEU B 170 62.491 63.357 43.584 1.00 0.00 O ATOM 871 CB LEU B 170 61.109 65.093 46.239 1.00 0.00 C ATOM 872 CG LEU B 170 59.742 64.982 46.932 1.00 0.00 C ATOM 873 CD1 LEU B 170 59.505 66.229 47.790 1.00 0.00 C ATOM 874 CD2 LEU B 170 58.617 64.891 45.901 1.00 0.00 C ATOM 0 H LEU B 170 61.899 63.389 47.849 1.00 0.00 H new ATOM 0 HA LEU B 170 60.812 63.144 45.341 1.00 0.00 H new ATOM 0 HB2 LEU B 170 61.828 65.548 46.920 1.00 0.00 H new ATOM 0 HB3 LEU B 170 61.028 65.752 45.374 1.00 0.00 H new ATOM 0 HG LEU B 170 59.743 64.082 47.547 1.00 0.00 H new ATOM 0 HD11 LEU B 170 58.536 66.153 48.283 1.00 0.00 H new ATOM 0 HD12 LEU B 170 60.290 66.307 48.543 1.00 0.00 H new ATOM 0 HD13 LEU B 170 59.521 67.115 47.156 1.00 0.00 H new ATOM 0 HD21 LEU B 170 57.659 64.813 46.414 1.00 0.00 H new ATOM 0 HD22 LEU B 170 58.623 65.784 45.276 1.00 0.00 H new ATOM 0 HD23 LEU B 170 58.766 64.011 45.276 1.00 0.00 H new ATOM 880 N LEU B 171 63.841 64.429 45.048 1.00 0.00 N ATOM 881 CA LEU B 171 64.995 64.590 44.140 1.00 0.00 C ATOM 882 C LEU B 171 65.398 63.283 43.436 1.00 0.00 C ATOM 883 O LEU B 171 65.335 63.192 42.198 1.00 0.00 O ATOM 884 CB LEU B 171 66.214 65.163 44.877 1.00 0.00 C ATOM 885 CG LEU B 171 66.330 66.688 44.697 1.00 0.00 C ATOM 886 CD1 LEU B 171 65.388 67.463 45.615 1.00 0.00 C ATOM 887 CD2 LEU B 171 67.780 67.123 44.887 1.00 0.00 C ATOM 0 H LEU B 171 64.012 64.787 45.988 1.00 0.00 H new ATOM 0 HA LEU B 171 64.665 65.293 43.375 1.00 0.00 H new ATOM 0 HB2 LEU B 171 66.140 64.927 45.939 1.00 0.00 H new ATOM 0 HB3 LEU B 171 67.120 64.684 44.507 1.00 0.00 H new ATOM 0 HG LEU B 171 66.019 66.926 43.680 1.00 0.00 H new ATOM 0 HD11 LEU B 171 65.513 68.532 45.445 1.00 0.00 H new ATOM 0 HD12 LEU B 171 64.357 67.179 45.402 1.00 0.00 H new ATOM 0 HD13 LEU B 171 65.621 67.231 46.654 1.00 0.00 H new ATOM 0 HD21 LEU B 171 67.856 68.203 44.758 1.00 0.00 H new ATOM 0 HD22 LEU B 171 68.113 66.853 45.889 1.00 0.00 H new ATOM 0 HD23 LEU B 171 68.409 66.625 44.149 1.00 0.00 H new ATOM 893 N SER B 172 65.609 62.242 44.235 1.00 0.00 N ATOM 894 CA SER B 172 65.999 60.905 43.738 1.00 0.00 C ATOM 895 C SER B 172 64.894 60.218 42.911 1.00 0.00 C ATOM 896 O SER B 172 65.185 59.653 41.863 1.00 0.00 O ATOM 897 CB SER B 172 66.432 59.973 44.880 1.00 0.00 C ATOM 898 OG SER B 172 65.324 59.563 45.685 1.00 0.00 O ATOM 0 H SER B 172 65.517 62.291 45.250 1.00 0.00 H new ATOM 0 HA SER B 172 66.848 61.085 43.078 1.00 0.00 H new ATOM 0 HB2 SER B 172 66.923 59.093 44.464 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.166 60.482 45.505 1.00 0.00 H new ATOM 0 HG SER B 172 64.654 60.278 45.708 1.00 0.00 H new ATOM 904 N HIS B 173 63.648 60.308 43.373 1.00 0.00 N ATOM 905 CA HIS B 173 62.476 59.764 42.656 1.00 0.00 C ATOM 906 C HIS B 173 62.231 60.447 41.312 1.00 0.00 C ATOM 907 O HIS B 173 62.044 59.751 40.316 1.00 0.00 O ATOM 908 CB HIS B 173 61.221 59.793 43.528 1.00 0.00 C ATOM 909 CG HIS B 173 61.273 58.765 44.673 1.00 0.00 C ATOM 910 ND1 HIS B 173 61.122 59.047 45.965 1.00 0.00 N ATOM 911 CD2 HIS B 173 61.309 57.440 44.555 1.00 0.00 C ATOM 912 CE1 HIS B 173 61.051 57.901 46.637 1.00 0.00 C ATOM 913 NE2 HIS B 173 61.176 56.914 45.763 1.00 0.00 N ATOM 0 H HIS B 173 63.413 60.760 44.257 1.00 0.00 H new ATOM 0 HA HIS B 173 62.711 58.723 42.437 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.097 60.792 43.946 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.347 59.596 42.907 1.00 0.00 H new ATOM 0 HD2 HIS B 173 61.426 56.889 43.634 1.00 0.00 H new ATOM 0 HE1 HIS B 173 60.916 57.795 47.703 1.00 0.00 H new ATOM 0 HE2 HIS B 173 61.171 55.918 45.983 1.00 0.00 H new ATOM 918 N LEU B 174 62.336 61.783 41.260 1.00 0.00 N ATOM 919 CA LEU B 174 62.324 62.518 39.973 1.00 0.00 C ATOM 920 C LEU B 174 63.428 62.041 39.008 1.00 0.00 C ATOM 921 O LEU B 174 63.105 61.596 37.908 1.00 0.00 O ATOM 922 CB LEU B 174 62.351 64.037 40.166 1.00 0.00 C ATOM 923 CG LEU B 174 60.934 64.604 40.221 1.00 0.00 C ATOM 924 CD1 LEU B 174 60.316 64.530 41.618 1.00 0.00 C ATOM 925 CD2 LEU B 174 60.904 66.027 39.673 1.00 0.00 C ATOM 0 H LEU B 174 62.430 62.378 42.083 1.00 0.00 H new ATOM 0 HA LEU B 174 61.372 62.278 39.500 1.00 0.00 H new ATOM 0 HB2 LEU B 174 62.881 64.281 41.087 1.00 0.00 H new ATOM 0 HB3 LEU B 174 62.902 64.502 39.348 1.00 0.00 H new ATOM 0 HG LEU B 174 60.314 63.973 39.584 1.00 0.00 H new ATOM 0 HD11 LEU B 174 59.310 64.948 41.593 1.00 0.00 H new ATOM 0 HD12 LEU B 174 60.269 63.490 41.941 1.00 0.00 H new ATOM 0 HD13 LEU B 174 60.928 65.100 42.317 1.00 0.00 H new ATOM 0 HD21 LEU B 174 59.886 66.414 39.720 1.00 0.00 H new ATOM 0 HD22 LEU B 174 61.561 66.660 40.269 1.00 0.00 H new ATOM 0 HD23 LEU B 174 61.243 66.025 38.637 1.00 0.00 H new ATOM 931 N LEU B 175 64.652 61.916 39.517 1.00 0.00 N ATOM 932 CA LEU B 175 65.763 61.281 38.778 1.00 0.00 C ATOM 933 C LEU B 175 65.470 59.839 38.317 1.00 0.00 C ATOM 934 O LEU B 175 65.843 59.464 37.210 1.00 0.00 O ATOM 935 CB LEU B 175 67.048 61.277 39.619 1.00 0.00 C ATOM 936 CG LEU B 175 67.698 62.657 39.679 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.689 62.706 40.837 1.00 0.00 C ATOM 938 CD2 LEU B 175 68.426 62.996 38.377 1.00 0.00 C ATOM 0 H LEU B 175 64.910 62.247 40.447 1.00 0.00 H new ATOM 0 HA LEU B 175 65.889 61.889 37.882 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.818 60.940 40.630 1.00 0.00 H new ATOM 0 HB3 LEU B 175 67.754 60.562 39.198 1.00 0.00 H new ATOM 0 HG LEU B 175 66.907 63.392 39.827 1.00 0.00 H new ATOM 0 HD11 LEU B 175 69.152 63.692 40.878 1.00 0.00 H new ATOM 0 HD12 LEU B 175 68.165 62.512 41.773 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.459 61.949 40.689 1.00 0.00 H new ATOM 0 HD21 LEU B 175 68.875 63.986 38.459 1.00 0.00 H new ATOM 0 HD22 LEU B 175 69.206 62.257 38.193 1.00 0.00 H new ATOM 0 HD23 LEU B 175 67.716 62.987 37.550 1.00 0.00 H new ATOM 944 N ALA B 176 64.860 59.046 39.192 1.00 0.00 N ATOM 945 CA ALA B 176 64.418 57.670 38.899 1.00 0.00 C ATOM 946 C ALA B 176 63.302 57.565 37.837 1.00 0.00 C ATOM 947 O ALA B 176 63.392 56.732 36.935 1.00 0.00 O ATOM 948 CB ALA B 176 64.016 56.974 40.201 1.00 0.00 C ATOM 0 H ALA B 176 64.651 59.340 40.146 1.00 0.00 H new ATOM 0 HA ALA B 176 65.270 57.160 38.449 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.689 55.957 39.984 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.871 56.944 40.877 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.201 57.524 40.671 1.00 0.00 H new ATOM 954 N ILE B 177 62.291 58.434 37.921 1.00 0.00 N ATOM 955 CA ILE B 177 61.280 58.619 36.852 1.00 0.00 C ATOM 956 C ILE B 177 62.012 58.951 35.529 1.00 0.00 C ATOM 957 O ILE B 177 61.813 58.275 34.514 1.00 0.00 O ATOM 958 CB ILE B 177 60.244 59.700 37.232 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.507 59.339 38.526 1.00 0.00 C ATOM 960 CG2 ILE B 177 59.201 59.891 36.107 1.00 0.00 C ATOM 961 CD1 ILE B 177 58.876 60.544 39.234 1.00 0.00 C ATOM 0 H ILE B 177 62.142 59.036 38.731 1.00 0.00 H new ATOM 0 HA ILE B 177 60.714 57.696 36.721 1.00 0.00 H new ATOM 0 HB ILE B 177 60.798 60.627 37.380 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.726 58.613 38.298 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.205 58.853 39.208 1.00 0.00 H new ATOM 0 HG21 ILE B 177 58.484 60.658 36.402 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.706 60.199 35.191 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.676 58.951 35.934 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.372 60.210 40.141 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.654 61.262 39.494 1.00 0.00 H new ATOM 0 HD13 ILE B 177 58.152 61.018 38.571 1.00 0.00 H new ATOM 965 N GLY B 178 62.950 59.888 35.618 1.00 0.00 N ATOM 966 CA GLY B 178 63.899 60.227 34.539 1.00 0.00 C ATOM 967 C GLY B 178 64.612 58.998 33.959 1.00 0.00 C ATOM 968 O GLY B 178 64.563 58.758 32.753 1.00 0.00 O ATOM 0 H GLY B 178 63.083 60.452 36.458 1.00 0.00 H new ATOM 0 HA2 GLY B 178 63.364 60.740 33.740 1.00 0.00 H new ATOM 0 HA3 GLY B 178 64.643 60.924 34.923 1.00 0.00 H new ATOM 972 N LEU B 179 65.232 58.210 34.840 1.00 0.00 N ATOM 973 CA LEU B 179 65.895 56.936 34.494 1.00 0.00 C ATOM 974 C LEU B 179 64.993 55.941 33.749 1.00 0.00 C ATOM 975 O LEU B 179 65.426 55.337 32.768 1.00 0.00 O ATOM 976 CB LEU B 179 66.487 56.341 35.772 1.00 0.00 C ATOM 977 CG LEU B 179 67.398 55.128 35.531 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.670 55.498 34.758 1.00 0.00 C ATOM 979 CD2 LEU B 179 67.751 54.510 36.875 1.00 0.00 C ATOM 0 H LEU B 179 65.292 58.437 35.833 1.00 0.00 H new ATOM 0 HA LEU B 179 66.689 57.150 33.778 1.00 0.00 H new ATOM 0 HB2 LEU B 179 67.056 57.113 36.291 1.00 0.00 H new ATOM 0 HB3 LEU B 179 65.673 56.046 36.434 1.00 0.00 H new ATOM 0 HG LEU B 179 66.859 54.409 34.914 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.280 54.606 34.613 1.00 0.00 H new ATOM 0 HD12 LEU B 179 68.398 55.913 33.787 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.237 56.238 35.323 1.00 0.00 H new ATOM 0 HD21 LEU B 179 68.398 53.647 36.720 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.269 55.246 37.489 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.839 54.193 37.381 1.00 0.00 H new ATOM 985 N GLY B 180 63.737 55.826 34.187 1.00 0.00 N ATOM 986 CA GLY B 180 62.686 55.057 33.495 1.00 0.00 C ATOM 987 C GLY B 180 62.540 55.461 32.016 1.00 0.00 C ATOM 988 O GLY B 180 62.728 54.658 31.106 1.00 0.00 O ATOM 0 H GLY B 180 63.411 56.270 35.046 1.00 0.00 H new ATOM 0 HA2 GLY B 180 62.917 53.994 33.557 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.735 55.207 34.005 1.00 0.00 H new ATOM 992 N ILE B 181 62.345 56.764 31.818 1.00 0.00 N ATOM 993 CA ILE B 181 62.333 57.420 30.492 1.00 0.00 C ATOM 994 C ILE B 181 63.629 57.090 29.711 1.00 0.00 C ATOM 995 O ILE B 181 63.565 56.472 28.649 1.00 0.00 O ATOM 996 CB ILE B 181 62.114 58.936 30.679 1.00 0.00 C ATOM 997 CG1 ILE B 181 60.766 59.199 31.369 1.00 0.00 C ATOM 998 CG2 ILE B 181 62.166 59.699 29.349 1.00 0.00 C ATOM 999 CD1 ILE B 181 60.812 60.437 32.277 1.00 0.00 C ATOM 0 H ILE B 181 62.186 57.416 32.586 1.00 0.00 H new ATOM 0 HA ILE B 181 61.509 57.038 29.890 1.00 0.00 H new ATOM 0 HB ILE B 181 62.928 59.301 31.305 1.00 0.00 H new ATOM 0 HG12 ILE B 181 59.993 59.333 30.613 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.486 58.327 31.960 1.00 0.00 H new ATOM 0 HG21 ILE B 181 62.006 60.762 29.533 1.00 0.00 H new ATOM 0 HG22 ILE B 181 63.141 59.553 28.884 1.00 0.00 H new ATOM 0 HG23 ILE B 181 61.387 59.325 28.684 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.837 60.583 32.743 1.00 0.00 H new ATOM 0 HD12 ILE B 181 61.566 60.293 33.051 1.00 0.00 H new ATOM 0 HD13 ILE B 181 61.065 61.315 31.683 1.00 0.00 H new ATOM 1003 N TYR B 182 64.771 57.363 30.338 1.00 0.00 N ATOM 1004 CA TYR B 182 66.141 57.138 29.805 1.00 0.00 C ATOM 1005 C TYR B 182 66.366 55.720 29.228 1.00 0.00 C ATOM 1006 O TYR B 182 66.766 55.578 28.079 1.00 0.00 O ATOM 1007 CB TYR B 182 67.106 57.449 30.952 1.00 0.00 C ATOM 1008 CG TYR B 182 68.589 57.582 30.573 1.00 0.00 C ATOM 1009 CD1 TYR B 182 69.013 58.775 29.947 1.00 0.00 C ATOM 1010 CD2 TYR B 182 69.507 56.619 31.037 1.00 0.00 C ATOM 1011 CE1 TYR B 182 70.405 59.012 29.786 1.00 0.00 C ATOM 1012 CE2 TYR B 182 70.893 56.862 30.877 1.00 0.00 C ATOM 1013 CZ TYR B 182 71.308 58.047 30.243 1.00 0.00 C ATOM 1014 OH TYR B 182 72.640 58.247 30.022 1.00 0.00 O ATOM 0 H TYR B 182 64.783 57.766 31.275 1.00 0.00 H new ATOM 0 HA TYR B 182 66.310 57.792 28.950 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.788 58.378 31.425 1.00 0.00 H new ATOM 0 HB3 TYR B 182 67.013 56.663 31.701 1.00 0.00 H new ATOM 0 HD1 TYR B 182 68.290 59.496 29.596 1.00 0.00 H new ATOM 0 HD2 TYR B 182 69.159 55.711 31.507 1.00 0.00 H new ATOM 0 HE1 TYR B 182 70.759 59.920 29.320 1.00 0.00 H new ATOM 0 HE2 TYR B 182 71.620 56.149 31.236 1.00 0.00 H new ATOM 0 HH TYR B 182 73.150 57.497 30.394 1.00 0.00 H new ATOM 1019 N ILE B 183 66.020 54.694 30.008 1.00 0.00 N ATOM 1020 CA ILE B 183 66.115 53.284 29.547 1.00 0.00 C ATOM 1021 C ILE B 183 65.121 52.910 28.437 1.00 0.00 C ATOM 1022 O ILE B 183 65.502 52.221 27.478 1.00 0.00 O ATOM 1023 CB ILE B 183 66.147 52.285 30.735 1.00 0.00 C ATOM 1024 CG1 ILE B 183 66.446 50.850 30.287 1.00 0.00 C ATOM 1025 CG2 ILE B 183 64.874 52.313 31.590 1.00 0.00 C ATOM 1026 CD1 ILE B 183 67.835 50.673 29.668 1.00 0.00 C ATOM 0 H ILE B 183 65.671 54.800 30.961 1.00 0.00 H new ATOM 0 HA ILE B 183 67.083 53.198 29.053 1.00 0.00 H new ATOM 0 HB ILE B 183 66.969 52.629 31.362 1.00 0.00 H new ATOM 0 HG12 ILE B 183 66.353 50.185 31.145 1.00 0.00 H new ATOM 0 HG13 ILE B 183 65.693 50.541 29.562 1.00 0.00 H new ATOM 0 HG21 ILE B 183 64.965 51.591 32.401 1.00 0.00 H new ATOM 0 HG22 ILE B 183 64.737 53.311 32.006 1.00 0.00 H new ATOM 0 HG23 ILE B 183 64.014 52.057 30.971 1.00 0.00 H new ATOM 0 HD11 ILE B 183 67.973 49.632 29.376 1.00 0.00 H new ATOM 0 HD12 ILE B 183 67.926 51.312 28.789 1.00 0.00 H new ATOM 0 HD13 ILE B 183 68.596 50.949 30.398 1.00 0.00 H new