USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 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= 2.22 K(o=3.7,f=-11!) USER MOD Set 1.2: B 172 SER OG : rot -37:sc= 1.53 USER MOD Set 2.1: A 172 SER OG : rot 119:sc= 1.14 USER MOD Set 2.2: B 173 HIS : no HE2:sc= 2.18 K(o=3.3,f=-13!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 66.333 50.703 53.520 1.00 0.00 N ATOM 261 CA LEU A 166 66.976 50.076 52.352 1.00 0.00 C ATOM 262 C LEU A 166 66.058 49.234 51.423 1.00 0.00 C ATOM 263 O LEU A 166 65.873 49.685 50.280 1.00 0.00 O ATOM 264 CB LEU A 166 68.208 49.301 52.839 1.00 0.00 C ATOM 265 CG LEU A 166 69.460 49.735 52.083 1.00 0.00 C ATOM 266 CD1 LEU A 166 70.623 49.771 53.068 1.00 0.00 C ATOM 267 CD2 LEU A 166 69.764 48.750 50.951 1.00 0.00 C ATOM 0 HA LEU A 166 67.269 50.886 51.684 1.00 0.00 H new ATOM 0 HB2 LEU A 166 68.348 49.467 53.907 1.00 0.00 H new ATOM 0 HB3 LEU A 166 68.048 48.232 52.701 1.00 0.00 H new ATOM 0 HG LEU A 166 69.307 50.721 51.644 1.00 0.00 H new ATOM 0 HD11 LEU A 166 71.530 50.079 52.549 1.00 0.00 H new ATOM 0 HD12 LEU A 166 70.403 50.481 53.866 1.00 0.00 H new ATOM 0 HD13 LEU A 166 70.769 48.779 53.495 1.00 0.00 H new ATOM 0 HD21 LEU A 166 70.660 49.072 50.420 1.00 0.00 H new ATOM 0 HD22 LEU A 166 69.926 47.756 51.368 1.00 0.00 H new ATOM 0 HD23 LEU A 166 68.923 48.720 50.259 1.00 0.00 H new ATOM 273 N PRO A 167 65.346 48.193 51.889 1.00 0.00 N ATOM 274 CA PRO A 167 64.544 47.332 50.990 1.00 0.00 C ATOM 275 C PRO A 167 63.336 48.028 50.343 1.00 0.00 C ATOM 276 O PRO A 167 63.169 47.962 49.125 1.00 0.00 O ATOM 277 CB PRO A 167 64.133 46.147 51.865 1.00 0.00 C ATOM 278 CG PRO A 167 64.014 46.762 53.258 1.00 0.00 C ATOM 279 CD PRO A 167 65.164 47.751 53.291 1.00 0.00 C ATOM 0 HA PRO A 167 65.132 47.035 50.121 1.00 0.00 H new ATOM 0 HB2 PRO A 167 63.189 45.712 51.536 1.00 0.00 H new ATOM 0 HB3 PRO A 167 64.877 45.351 51.839 1.00 0.00 H new ATOM 0 HG2 PRO A 167 63.053 47.255 53.401 1.00 0.00 H new ATOM 0 HG3 PRO A 167 64.106 46.009 54.041 1.00 0.00 H new ATOM 0 HD2 PRO A 167 64.937 48.595 53.942 1.00 0.00 H new ATOM 0 HD3 PRO A 167 66.071 47.286 53.677 1.00 0.00 H new ATOM 285 N SER A 168 62.591 48.805 51.138 1.00 0.00 N ATOM 286 CA SER A 168 61.399 49.531 50.656 1.00 0.00 C ATOM 287 C SER A 168 61.765 50.662 49.669 1.00 0.00 C ATOM 288 O SER A 168 61.113 50.812 48.633 1.00 0.00 O ATOM 289 CB SER A 168 60.564 50.091 51.817 1.00 0.00 C ATOM 290 OG SER A 168 61.305 51.022 52.613 1.00 0.00 O ATOM 0 H SER A 168 62.791 48.951 52.127 1.00 0.00 H new ATOM 0 HA SER A 168 60.794 48.800 50.120 1.00 0.00 H new ATOM 0 HB2 SER A 168 59.675 50.581 51.420 1.00 0.00 H new ATOM 0 HB3 SER A 168 60.221 49.269 52.446 1.00 0.00 H new ATOM 0 HG SER A 168 60.738 51.356 53.339 1.00 0.00 H new ATOM 296 N LEU A 169 62.870 51.343 49.953 1.00 0.00 N ATOM 297 CA LEU A 169 63.434 52.350 49.037 1.00 0.00 C ATOM 298 C LEU A 169 63.983 51.779 47.714 1.00 0.00 C ATOM 299 O LEU A 169 63.776 52.369 46.660 1.00 0.00 O ATOM 300 CB LEU A 169 64.464 53.236 49.738 1.00 0.00 C ATOM 301 CG LEU A 169 63.750 54.270 50.615 1.00 0.00 C ATOM 302 CD1 LEU A 169 64.764 55.031 51.455 1.00 0.00 C ATOM 303 CD2 LEU A 169 62.959 55.265 49.753 1.00 0.00 C ATOM 0 H LEU A 169 63.402 51.220 50.815 1.00 0.00 H new ATOM 0 HA LEU A 169 62.587 52.971 48.746 1.00 0.00 H new ATOM 0 HB2 LEU A 169 65.128 52.624 50.349 1.00 0.00 H new ATOM 0 HB3 LEU A 169 65.086 53.740 48.999 1.00 0.00 H new ATOM 0 HG LEU A 169 63.057 53.739 51.267 1.00 0.00 H new ATOM 0 HD11 LEU A 169 64.247 55.763 52.075 1.00 0.00 H new ATOM 0 HD12 LEU A 169 65.305 54.333 52.094 1.00 0.00 H new ATOM 0 HD13 LEU A 169 65.468 55.543 50.799 1.00 0.00 H new ATOM 0 HD21 LEU A 169 62.461 55.989 50.398 1.00 0.00 H new ATOM 0 HD22 LEU A 169 63.641 55.786 49.081 1.00 0.00 H new ATOM 0 HD23 LEU A 169 62.213 54.727 49.168 1.00 0.00 H new ATOM 309 N LEU A 170 64.647 50.626 47.787 1.00 0.00 N ATOM 310 CA LEU A 170 64.982 49.840 46.576 1.00 0.00 C ATOM 311 C LEU A 170 63.759 49.578 45.680 1.00 0.00 C ATOM 312 O LEU A 170 63.764 49.967 44.510 1.00 0.00 O ATOM 313 CB LEU A 170 65.681 48.531 46.950 1.00 0.00 C ATOM 314 CG LEU A 170 67.182 48.732 47.139 1.00 0.00 C ATOM 315 CD1 LEU A 170 67.788 47.515 47.836 1.00 0.00 C ATOM 316 CD2 LEU A 170 67.874 48.922 45.778 1.00 0.00 C ATOM 0 H LEU A 170 64.967 50.208 48.661 1.00 0.00 H new ATOM 0 HA LEU A 170 65.672 50.446 45.990 1.00 0.00 H new ATOM 0 HB2 LEU A 170 65.247 48.135 47.869 1.00 0.00 H new ATOM 0 HB3 LEU A 170 65.508 47.789 46.170 1.00 0.00 H new ATOM 0 HG LEU A 170 67.334 49.622 47.750 1.00 0.00 H new ATOM 0 HD11 LEU A 170 68.859 47.667 47.967 1.00 0.00 H new ATOM 0 HD12 LEU A 170 67.318 47.383 48.811 1.00 0.00 H new ATOM 0 HD13 LEU A 170 67.619 46.626 47.228 1.00 0.00 H new ATOM 0 HD21 LEU A 170 68.944 49.064 45.930 1.00 0.00 H new ATOM 0 HD22 LEU A 170 67.710 48.039 45.160 1.00 0.00 H new ATOM 0 HD23 LEU A 170 67.459 49.797 45.278 1.00 0.00 H new ATOM 322 N LEU A 171 62.664 49.144 46.304 1.00 0.00 N ATOM 323 CA LEU A 171 61.360 48.946 45.620 1.00 0.00 C ATOM 324 C LEU A 171 60.816 50.238 44.977 1.00 0.00 C ATOM 325 O LEU A 171 60.632 50.274 43.768 1.00 0.00 O ATOM 326 CB LEU A 171 60.305 48.384 46.578 1.00 0.00 C ATOM 327 CG LEU A 171 60.635 46.988 47.124 1.00 0.00 C ATOM 328 CD1 LEU A 171 59.621 46.654 48.213 1.00 0.00 C ATOM 329 CD2 LEU A 171 60.584 45.902 46.043 1.00 0.00 C ATOM 0 H LEU A 171 62.643 48.916 47.298 1.00 0.00 H new ATOM 0 HA LEU A 171 61.555 48.227 44.824 1.00 0.00 H new ATOM 0 HB2 LEU A 171 60.187 49.072 47.416 1.00 0.00 H new ATOM 0 HB3 LEU A 171 59.346 48.343 46.062 1.00 0.00 H new ATOM 0 HG LEU A 171 61.654 47.008 47.511 1.00 0.00 H new ATOM 0 HD11 LEU A 171 59.834 45.665 48.618 1.00 0.00 H new ATOM 0 HD12 LEU A 171 59.686 47.394 49.010 1.00 0.00 H new ATOM 0 HD13 LEU A 171 58.616 46.664 47.790 1.00 0.00 H new ATOM 0 HD21 LEU A 171 60.826 44.936 46.486 1.00 0.00 H new ATOM 0 HD22 LEU A 171 59.583 45.864 45.613 1.00 0.00 H new ATOM 0 HD23 LEU A 171 61.307 46.133 45.261 1.00 0.00 H new ATOM 335 N SER A 172 60.705 51.307 45.765 1.00 0.00 N ATOM 336 CA SER A 172 60.159 52.607 45.304 1.00 0.00 C ATOM 337 C SER A 172 60.939 53.238 44.139 1.00 0.00 C ATOM 338 O SER A 172 60.338 53.744 43.192 1.00 0.00 O ATOM 339 CB SER A 172 60.030 53.592 46.457 1.00 0.00 C ATOM 340 OG SER A 172 61.314 54.071 46.872 1.00 0.00 O ATOM 0 H SER A 172 60.988 51.308 46.745 1.00 0.00 H new ATOM 0 HA SER A 172 59.167 52.379 44.914 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.406 54.432 46.153 1.00 0.00 H new ATOM 0 HB3 SER A 172 59.529 53.110 47.297 1.00 0.00 H new ATOM 0 HG SER A 172 61.354 55.043 46.754 1.00 0.00 H new ATOM 346 N HIS A 173 62.267 53.139 44.178 1.00 0.00 N ATOM 347 CA HIS A 173 63.146 53.634 43.090 1.00 0.00 C ATOM 348 C HIS A 173 63.012 52.809 41.802 1.00 0.00 C ATOM 349 O HIS A 173 62.839 53.387 40.724 1.00 0.00 O ATOM 350 CB HIS A 173 64.597 53.732 43.558 1.00 0.00 C ATOM 351 CG HIS A 173 64.785 54.908 44.518 1.00 0.00 C ATOM 352 ND1 HIS A 173 64.629 54.867 45.839 1.00 0.00 N ATOM 353 CD2 HIS A 173 65.158 56.140 44.202 1.00 0.00 C ATOM 354 CE1 HIS A 173 64.917 56.050 46.339 1.00 0.00 C ATOM 355 NE2 HIS A 173 65.239 56.850 45.324 1.00 0.00 N ATOM 0 H HIS A 173 62.774 52.717 44.956 1.00 0.00 H new ATOM 0 HA HIS A 173 62.809 54.640 42.840 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.887 52.805 44.052 1.00 0.00 H new ATOM 0 HB3 HIS A 173 65.253 53.853 42.696 1.00 0.00 H new ATOM 0 HD1 HIS A 173 64.334 54.052 46.376 1.00 0.00 H new ATOM 0 HD2 HIS A 173 65.361 56.504 43.206 1.00 0.00 H new ATOM 0 HE1 HIS A 173 64.896 56.323 47.384 1.00 0.00 H new ATOM 0 HE2 HIS A 173 65.501 57.833 45.395 1.00 0.00 H new ATOM 360 N LEU A 174 62.972 51.489 41.942 1.00 0.00 N ATOM 361 CA LEU A 174 62.646 50.546 40.848 1.00 0.00 C ATOM 362 C LEU A 174 61.264 50.838 40.229 1.00 0.00 C ATOM 363 O LEU A 174 61.141 51.004 39.024 1.00 0.00 O ATOM 364 CB LEU A 174 62.752 49.125 41.433 1.00 0.00 C ATOM 365 CG LEU A 174 62.539 47.977 40.440 1.00 0.00 C ATOM 366 CD1 LEU A 174 63.538 48.013 39.282 1.00 0.00 C ATOM 367 CD2 LEU A 174 62.681 46.663 41.195 1.00 0.00 C ATOM 0 H LEU A 174 63.166 51.024 42.829 1.00 0.00 H new ATOM 0 HA LEU A 174 63.347 50.657 40.020 1.00 0.00 H new ATOM 0 HB2 LEU A 174 63.737 49.011 41.885 1.00 0.00 H new ATOM 0 HB3 LEU A 174 62.020 49.027 42.235 1.00 0.00 H new ATOM 0 HG LEU A 174 61.545 48.079 40.005 1.00 0.00 H new ATOM 0 HD11 LEU A 174 63.344 47.179 38.608 1.00 0.00 H new ATOM 0 HD12 LEU A 174 63.431 48.952 38.738 1.00 0.00 H new ATOM 0 HD13 LEU A 174 64.552 47.934 39.674 1.00 0.00 H new ATOM 0 HD21 LEU A 174 62.533 45.830 40.507 1.00 0.00 H new ATOM 0 HD22 LEU A 174 63.678 46.600 41.632 1.00 0.00 H new ATOM 0 HD23 LEU A 174 61.934 46.616 41.987 1.00 0.00 H new ATOM 373 N LEU A 175 60.286 51.071 41.111 1.00 0.00 N ATOM 374 CA LEU A 175 58.917 51.497 40.747 1.00 0.00 C ATOM 375 C LEU A 175 58.912 52.818 39.953 1.00 0.00 C ATOM 376 O LEU A 175 58.318 52.880 38.872 1.00 0.00 O ATOM 377 CB LEU A 175 58.082 51.650 42.022 1.00 0.00 C ATOM 378 CG LEU A 175 56.613 51.349 41.733 1.00 0.00 C ATOM 379 CD1 LEU A 175 56.243 49.969 42.278 1.00 0.00 C ATOM 380 CD2 LEU A 175 55.699 52.429 42.313 1.00 0.00 C ATOM 0 H LEU A 175 60.419 50.969 42.117 1.00 0.00 H new ATOM 0 HA LEU A 175 58.485 50.731 40.102 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.454 50.974 42.792 1.00 0.00 H new ATOM 0 HB3 LEU A 175 58.183 52.663 42.412 1.00 0.00 H new ATOM 0 HG LEU A 175 56.470 51.348 40.652 1.00 0.00 H new ATOM 0 HD11 LEU A 175 55.194 49.764 42.067 1.00 0.00 H new ATOM 0 HD12 LEU A 175 56.864 49.211 41.801 1.00 0.00 H new ATOM 0 HD13 LEU A 175 56.407 49.947 43.355 1.00 0.00 H new ATOM 0 HD21 LEU A 175 54.660 52.185 42.090 1.00 0.00 H new ATOM 0 HD22 LEU A 175 55.836 52.480 43.393 1.00 0.00 H new ATOM 0 HD23 LEU A 175 55.948 53.393 41.870 1.00 0.00 H new ATOM 386 N ALA A 176 59.630 53.821 40.451 1.00 0.00 N ATOM 387 CA ALA A 176 59.807 55.133 39.792 1.00 0.00 C ATOM 388 C ALA A 176 60.424 55.038 38.386 1.00 0.00 C ATOM 389 O ALA A 176 59.898 55.625 37.437 1.00 0.00 O ATOM 390 CB ALA A 176 60.625 56.043 40.709 1.00 0.00 C ATOM 0 H ALA A 176 60.120 53.753 41.343 1.00 0.00 H new ATOM 0 HA ALA A 176 58.818 55.562 39.633 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.761 57.013 40.231 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.099 56.174 41.655 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.599 55.591 40.896 1.00 0.00 H new ATOM 396 N ILE A 177 61.497 54.248 38.249 1.00 0.00 N ATOM 397 CA ILE A 177 62.078 53.882 36.931 1.00 0.00 C ATOM 398 C ILE A 177 60.987 53.281 36.018 1.00 0.00 C ATOM 399 O ILE A 177 60.655 53.874 34.987 1.00 0.00 O ATOM 400 CB ILE A 177 63.312 52.978 37.115 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.392 53.735 37.899 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.899 52.532 35.761 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.444 52.837 38.564 1.00 0.00 C ATOM 0 H ILE A 177 61.993 53.840 39.042 1.00 0.00 H new ATOM 0 HA ILE A 177 62.441 54.775 36.423 1.00 0.00 H new ATOM 0 HB ILE A 177 62.993 52.090 37.661 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.897 54.425 37.223 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.909 54.338 38.668 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.768 51.896 35.933 1.00 0.00 H new ATOM 0 HG22 ILE A 177 63.146 51.975 35.204 1.00 0.00 H new ATOM 0 HG23 ILE A 177 64.199 53.409 35.188 1.00 0.00 H new ATOM 0 HD11 ILE A 177 66.167 53.456 39.096 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.955 52.164 39.268 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.958 52.253 37.801 1.00 0.00 H new ATOM 407 N GLY A 178 60.304 52.264 36.539 1.00 0.00 N ATOM 408 CA GLY A 178 59.151 51.599 35.901 1.00 0.00 C ATOM 409 C GLY A 178 58.083 52.574 35.373 1.00 0.00 C ATOM 410 O GLY A 178 57.703 52.509 34.199 1.00 0.00 O ATOM 0 H GLY A 178 60.539 51.861 37.446 1.00 0.00 H new ATOM 0 HA2 GLY A 178 59.509 50.986 35.074 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.689 50.924 36.622 1.00 0.00 H new ATOM 414 N LEU A 179 57.655 53.488 36.239 1.00 0.00 N ATOM 415 CA LEU A 179 56.706 54.567 35.915 1.00 0.00 C ATOM 416 C LEU A 179 57.093 55.419 34.686 1.00 0.00 C ATOM 417 O LEU A 179 56.293 55.565 33.768 1.00 0.00 O ATOM 418 CB LEU A 179 56.492 55.451 37.149 1.00 0.00 C ATOM 419 CG LEU A 179 55.591 54.766 38.186 1.00 0.00 C ATOM 420 CD1 LEU A 179 55.706 55.481 39.518 1.00 0.00 C ATOM 421 CD2 LEU A 179 54.123 54.771 37.726 1.00 0.00 C ATOM 0 H LEU A 179 57.962 53.506 37.212 1.00 0.00 H new ATOM 0 HA LEU A 179 55.774 54.078 35.632 1.00 0.00 H new ATOM 0 HB2 LEU A 179 57.456 55.685 37.601 1.00 0.00 H new ATOM 0 HB3 LEU A 179 56.044 56.398 36.846 1.00 0.00 H new ATOM 0 HG LEU A 179 55.918 53.732 38.294 1.00 0.00 H new ATOM 0 HD11 LEU A 179 55.065 54.991 40.251 1.00 0.00 H new ATOM 0 HD12 LEU A 179 56.740 55.447 39.861 1.00 0.00 H new ATOM 0 HD13 LEU A 179 55.396 56.519 39.401 1.00 0.00 H new ATOM 0 HD21 LEU A 179 53.505 54.280 38.477 1.00 0.00 H new ATOM 0 HD22 LEU A 179 53.786 55.799 37.594 1.00 0.00 H new ATOM 0 HD23 LEU A 179 54.036 54.237 36.780 1.00 0.00 H new ATOM 427 N GLY A 180 58.352 55.864 34.662 1.00 0.00 N ATOM 428 CA GLY A 180 58.934 56.602 33.509 1.00 0.00 C ATOM 429 C GLY A 180 58.867 55.792 32.197 1.00 0.00 C ATOM 430 O GLY A 180 58.379 56.286 31.178 1.00 0.00 O ATOM 0 H GLY A 180 59.005 55.730 35.434 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.402 57.544 33.378 1.00 0.00 H new ATOM 0 HA3 GLY A 180 59.973 56.850 33.727 1.00 0.00 H new ATOM 434 N ILE A 181 59.294 54.538 32.278 1.00 0.00 N ATOM 435 CA ILE A 181 59.240 53.545 31.169 1.00 0.00 C ATOM 436 C ILE A 181 57.791 53.377 30.665 1.00 0.00 C ATOM 437 O ILE A 181 57.549 53.387 29.455 1.00 0.00 O ATOM 438 CB ILE A 181 59.811 52.196 31.662 1.00 0.00 C ATOM 439 CG1 ILE A 181 61.240 52.378 32.163 1.00 0.00 C ATOM 440 CG2 ILE A 181 59.768 51.114 30.577 1.00 0.00 C ATOM 441 CD1 ILE A 181 61.645 51.323 33.194 1.00 0.00 C ATOM 0 H ILE A 181 59.701 54.156 33.132 1.00 0.00 H new ATOM 0 HA ILE A 181 59.844 53.902 30.335 1.00 0.00 H new ATOM 0 HB ILE A 181 59.177 51.860 32.482 1.00 0.00 H new ATOM 0 HG12 ILE A 181 61.925 52.334 31.317 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.342 53.369 32.605 1.00 0.00 H new ATOM 0 HG21 ILE A 181 60.180 50.186 30.972 1.00 0.00 H new ATOM 0 HG22 ILE A 181 58.736 50.950 30.267 1.00 0.00 H new ATOM 0 HG23 ILE A 181 60.358 51.436 29.719 1.00 0.00 H new ATOM 0 HD11 ILE A 181 62.671 51.503 33.514 1.00 0.00 H new ATOM 0 HD12 ILE A 181 60.980 51.382 34.056 1.00 0.00 H new ATOM 0 HD13 ILE A 181 61.573 50.331 32.747 1.00 0.00 H new ATOM 445 N TYR A 182 56.869 53.173 31.608 1.00 0.00 N ATOM 446 CA TYR A 182 55.419 53.056 31.351 1.00 0.00 C ATOM 447 C TYR A 182 54.869 54.206 30.503 1.00 0.00 C ATOM 448 O TYR A 182 54.266 53.941 29.468 1.00 0.00 O ATOM 449 CB TYR A 182 54.684 52.906 32.685 1.00 0.00 C ATOM 450 CG TYR A 182 53.147 52.969 32.604 1.00 0.00 C ATOM 451 CD1 TYR A 182 52.410 51.846 32.205 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.511 54.147 33.075 1.00 0.00 C ATOM 453 CE1 TYR A 182 51.003 51.867 32.299 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.109 54.174 33.156 1.00 0.00 C ATOM 455 CZ TYR A 182 50.372 53.036 32.768 1.00 0.00 C ATOM 456 OH TYR A 182 49.014 53.117 32.856 1.00 0.00 O ATOM 0 H TYR A 182 57.108 53.082 32.595 1.00 0.00 H new ATOM 0 HA TYR A 182 55.246 52.163 30.751 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.968 51.953 33.132 1.00 0.00 H new ATOM 0 HB3 TYR A 182 55.028 53.690 33.360 1.00 0.00 H new ATOM 0 HD1 TYR A 182 52.916 50.970 31.828 1.00 0.00 H new ATOM 0 HD2 TYR A 182 53.095 55.008 33.366 1.00 0.00 H new ATOM 0 HE1 TYR A 182 50.420 51.003 32.017 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.600 55.058 33.512 1.00 0.00 H new ATOM 0 HH TYR A 182 48.761 53.998 33.201 1.00 0.00 H new ATOM 461 N ILE A 183 55.183 55.452 30.867 1.00 0.00 N ATOM 462 CA ILE A 183 54.775 56.654 30.097 1.00 0.00 C ATOM 463 C ILE A 183 55.188 56.535 28.615 1.00 0.00 C ATOM 464 O ILE A 183 54.325 56.555 27.725 1.00 0.00 O ATOM 465 CB ILE A 183 55.287 57.939 30.785 1.00 0.00 C ATOM 466 CG1 ILE A 183 54.781 58.076 32.238 1.00 0.00 C ATOM 467 CG2 ILE A 183 54.991 59.222 29.989 1.00 0.00 C ATOM 468 CD1 ILE A 183 53.259 58.054 32.446 1.00 0.00 C ATOM 0 H ILE A 183 55.727 55.667 31.702 1.00 0.00 H new ATOM 0 HA ILE A 183 53.687 56.722 30.093 1.00 0.00 H new ATOM 0 HB ILE A 183 56.370 57.823 30.813 1.00 0.00 H new ATOM 0 HG12 ILE A 183 55.216 57.269 32.827 1.00 0.00 H new ATOM 0 HG13 ILE A 183 55.166 59.011 32.645 1.00 0.00 H new ATOM 0 HG21 ILE A 183 55.379 60.084 30.532 1.00 0.00 H new ATOM 0 HG22 ILE A 183 55.470 59.163 29.012 1.00 0.00 H new ATOM 0 HG23 ILE A 183 53.914 59.329 29.859 1.00 0.00 H new ATOM 0 HD11 ILE A 183 53.035 58.158 33.508 1.00 0.00 H new ATOM 0 HD12 ILE A 183 52.805 58.879 31.897 1.00 0.00 H new ATOM 0 HD13 ILE A 183 52.856 57.109 32.081 1.00 0.00 H new ATOM 472 N GLY A 184 56.466 56.209 28.387 1.00 0.00 N ATOM 473 CA GLY A 184 57.041 55.946 27.044 1.00 0.00 C ATOM 474 C GLY A 184 56.286 54.857 26.269 1.00 0.00 C ATOM 475 O GLY A 184 55.672 55.115 25.234 1.00 0.00 O ATOM 0 H GLY A 184 57.149 56.117 29.138 1.00 0.00 H new ATOM 0 HA2 GLY A 184 57.032 56.869 26.464 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.084 55.649 27.154 1.00 0.00 H new ATOM 479 N ARG A 185 56.208 53.685 26.917 1.00 0.00 N ATOM 480 CA ARG A 185 55.484 52.511 26.406 1.00 0.00 C ATOM 481 C ARG A 185 54.013 52.777 26.041 1.00 0.00 C ATOM 482 O ARG A 185 53.562 52.352 24.988 1.00 0.00 O ATOM 483 CB ARG A 185 55.541 51.371 27.432 1.00 0.00 C ATOM 484 CG ARG A 185 56.781 50.511 27.253 1.00 0.00 C ATOM 485 CD ARG A 185 56.816 49.410 28.311 1.00 0.00 C ATOM 486 NE ARG A 185 57.742 48.347 27.899 1.00 0.00 N ATOM 487 CZ ARG A 185 57.504 47.032 27.887 1.00 0.00 C ATOM 488 NH1 ARG A 185 56.469 46.476 28.529 1.00 0.00 N ATOM 489 NH2 ARG A 185 58.408 46.237 27.321 1.00 0.00 N ATOM 0 H ARG A 185 56.651 53.524 27.821 1.00 0.00 H new ATOM 0 HA ARG A 185 55.991 52.240 25.480 1.00 0.00 H new ATOM 0 HB2 ARG A 185 55.530 51.788 28.439 1.00 0.00 H new ATOM 0 HB3 ARG A 185 54.651 50.750 27.335 1.00 0.00 H new ATOM 0 HG2 ARG A 185 56.785 50.069 26.257 1.00 0.00 H new ATOM 0 HG3 ARG A 185 57.676 51.129 27.331 1.00 0.00 H new ATOM 0 HD2 ARG A 185 57.129 49.825 29.269 1.00 0.00 H new ATOM 0 HD3 ARG A 185 55.817 48.998 28.453 1.00 0.00 H new ATOM 0 HE ARG A 185 58.667 48.645 27.588 1.00 0.00 H new ATOM 0 HH11 ARG A 185 55.822 47.062 29.056 1.00 0.00 H new ATOM 0 HH12 ARG A 185 56.328 45.467 28.491 1.00 0.00 H new ATOM 0 HH21 ARG A 185 59.253 46.636 26.912 1.00 0.00 H new ATOM 0 HH22 ARG A 185 58.256 45.229 27.296 1.00 0.00 H new ATOM 802 N PHE B 165 66.568 64.071 54.649 1.00 0.00 N ATOM 803 CA PHE B 165 66.004 62.933 53.899 1.00 0.00 C ATOM 804 C PHE B 165 64.864 63.331 52.941 1.00 0.00 C ATOM 805 O PHE B 165 65.090 63.313 51.732 1.00 0.00 O ATOM 806 CB PHE B 165 65.555 61.891 54.920 1.00 0.00 C ATOM 807 CG PHE B 165 64.831 60.674 54.343 1.00 0.00 C ATOM 808 CD1 PHE B 165 65.607 59.657 53.741 1.00 0.00 C ATOM 809 CD2 PHE B 165 63.499 60.421 54.741 1.00 0.00 C ATOM 810 CE1 PHE B 165 65.068 58.364 53.584 1.00 0.00 C ATOM 811 CE2 PHE B 165 62.959 59.123 54.605 1.00 0.00 C ATOM 812 CZ PHE B 165 63.752 58.105 54.051 1.00 0.00 C ATOM 0 HA PHE B 165 66.772 62.524 53.243 1.00 0.00 H new ATOM 0 HB2 PHE B 165 66.431 61.545 55.469 1.00 0.00 H new ATOM 0 HB3 PHE B 165 64.897 62.375 55.642 1.00 0.00 H new ATOM 0 HD1 PHE B 165 66.610 59.870 53.402 1.00 0.00 H new ATOM 0 HD2 PHE B 165 62.895 61.218 55.148 1.00 0.00 H new ATOM 0 HE1 PHE B 165 65.647 57.582 53.116 1.00 0.00 H new ATOM 0 HE2 PHE B 165 61.948 58.916 54.923 1.00 0.00 H new ATOM 0 HZ PHE B 165 63.353 57.104 53.979 1.00 0.00 H new ATOM 818 N LEU B 166 63.761 63.848 53.462 1.00 0.00 N ATOM 819 CA LEU B 166 62.531 64.087 52.681 1.00 0.00 C ATOM 820 C LEU B 166 62.728 64.787 51.315 1.00 0.00 C ATOM 821 O LEU B 166 62.494 64.105 50.312 1.00 0.00 O ATOM 822 CB LEU B 166 61.407 64.684 53.543 1.00 0.00 C ATOM 823 CG LEU B 166 60.829 63.599 54.471 1.00 0.00 C ATOM 824 CD1 LEU B 166 60.222 64.228 55.711 1.00 0.00 C ATOM 825 CD2 LEU B 166 59.752 62.800 53.737 1.00 0.00 C ATOM 0 H LEU B 166 63.682 64.119 54.442 1.00 0.00 H new ATOM 0 HA LEU B 166 62.196 63.095 52.378 1.00 0.00 H new ATOM 0 HB2 LEU B 166 61.792 65.514 54.135 1.00 0.00 H new ATOM 0 HB3 LEU B 166 60.621 65.086 52.904 1.00 0.00 H new ATOM 0 HG LEU B 166 61.641 62.935 54.766 1.00 0.00 H new ATOM 0 HD11 LEU B 166 59.819 63.447 56.355 1.00 0.00 H new ATOM 0 HD12 LEU B 166 60.990 64.783 56.251 1.00 0.00 H new ATOM 0 HD13 LEU B 166 59.421 64.907 55.419 1.00 0.00 H new ATOM 0 HD21 LEU B 166 59.350 62.035 54.402 1.00 0.00 H new ATOM 0 HD22 LEU B 166 58.950 63.470 53.427 1.00 0.00 H new ATOM 0 HD23 LEU B 166 60.187 62.324 52.858 1.00 0.00 H new ATOM 831 N PRO B 167 63.350 65.982 51.215 1.00 0.00 N ATOM 832 CA PRO B 167 63.604 66.640 49.911 1.00 0.00 C ATOM 833 C PRO B 167 64.549 65.863 48.969 1.00 0.00 C ATOM 834 O PRO B 167 64.214 65.660 47.808 1.00 0.00 O ATOM 835 CB PRO B 167 64.116 68.038 50.263 1.00 0.00 C ATOM 836 CG PRO B 167 64.754 67.858 51.632 1.00 0.00 C ATOM 837 CD PRO B 167 63.855 66.832 52.305 1.00 0.00 C ATOM 0 HA PRO B 167 62.688 66.679 49.321 1.00 0.00 H new ATOM 0 HB2 PRO B 167 64.838 68.396 49.529 1.00 0.00 H new ATOM 0 HB3 PRO B 167 63.305 68.765 50.292 1.00 0.00 H new ATOM 0 HG2 PRO B 167 65.781 67.503 51.553 1.00 0.00 H new ATOM 0 HG3 PRO B 167 64.783 68.795 52.189 1.00 0.00 H new ATOM 0 HD2 PRO B 167 64.409 66.244 53.037 1.00 0.00 H new ATOM 0 HD3 PRO B 167 63.036 67.316 52.838 1.00 0.00 H new ATOM 843 N SER B 168 65.663 65.359 49.508 1.00 0.00 N ATOM 844 CA SER B 168 66.631 64.530 48.759 1.00 0.00 C ATOM 845 C SER B 168 66.052 63.200 48.253 1.00 0.00 C ATOM 846 O SER B 168 66.323 62.782 47.130 1.00 0.00 O ATOM 847 CB SER B 168 67.894 64.307 49.593 1.00 0.00 C ATOM 848 OG SER B 168 68.601 65.545 49.635 1.00 0.00 O ATOM 0 H SER B 168 65.926 65.512 50.482 1.00 0.00 H new ATOM 0 HA SER B 168 66.887 65.091 47.860 1.00 0.00 H new ATOM 0 HB2 SER B 168 67.636 63.978 50.600 1.00 0.00 H new ATOM 0 HB3 SER B 168 68.513 63.526 49.151 1.00 0.00 H new ATOM 0 HG SER B 168 69.418 65.437 50.165 1.00 0.00 H new ATOM 854 N LEU B 169 65.213 62.576 49.078 1.00 0.00 N ATOM 855 CA LEU B 169 64.375 61.419 48.714 1.00 0.00 C ATOM 856 C LEU B 169 63.435 61.744 47.533 1.00 0.00 C ATOM 857 O LEU B 169 63.333 60.966 46.586 1.00 0.00 O ATOM 858 CB LEU B 169 63.605 60.986 49.978 1.00 0.00 C ATOM 859 CG LEU B 169 62.595 59.861 49.719 1.00 0.00 C ATOM 860 CD1 LEU B 169 62.838 58.711 50.678 1.00 0.00 C ATOM 861 CD2 LEU B 169 61.171 60.391 49.878 1.00 0.00 C ATOM 0 H LEU B 169 65.089 62.865 50.048 1.00 0.00 H new ATOM 0 HA LEU B 169 64.998 60.595 48.366 1.00 0.00 H new ATOM 0 HB2 LEU B 169 64.318 60.657 50.734 1.00 0.00 H new ATOM 0 HB3 LEU B 169 63.080 61.849 50.388 1.00 0.00 H new ATOM 0 HG LEU B 169 62.723 59.498 48.699 1.00 0.00 H new ATOM 0 HD11 LEU B 169 62.116 57.918 50.485 1.00 0.00 H new ATOM 0 HD12 LEU B 169 63.847 58.325 50.535 1.00 0.00 H new ATOM 0 HD13 LEU B 169 62.726 59.063 51.704 1.00 0.00 H new ATOM 0 HD21 LEU B 169 60.460 59.586 49.692 1.00 0.00 H new ATOM 0 HD22 LEU B 169 61.035 60.769 50.891 1.00 0.00 H new ATOM 0 HD23 LEU B 169 61.001 61.197 49.164 1.00 0.00 H new ATOM 867 N LEU B 170 62.742 62.872 47.618 1.00 0.00 N ATOM 868 CA LEU B 170 61.883 63.365 46.519 1.00 0.00 C ATOM 869 C LEU B 170 62.681 63.526 45.216 1.00 0.00 C ATOM 870 O LEU B 170 62.337 62.893 44.212 1.00 0.00 O ATOM 871 CB LEU B 170 61.201 64.684 46.906 1.00 0.00 C ATOM 872 CG LEU B 170 60.267 64.543 48.120 1.00 0.00 C ATOM 873 CD1 LEU B 170 59.871 65.940 48.629 1.00 0.00 C ATOM 874 CD2 LEU B 170 59.013 63.743 47.802 1.00 0.00 C ATOM 0 H LEU B 170 62.751 63.476 48.440 1.00 0.00 H new ATOM 0 HA LEU B 170 61.108 62.619 46.345 1.00 0.00 H new ATOM 0 HB2 LEU B 170 61.964 65.430 47.126 1.00 0.00 H new ATOM 0 HB3 LEU B 170 60.629 65.054 46.055 1.00 0.00 H new ATOM 0 HG LEU B 170 60.814 63.997 48.889 1.00 0.00 H new ATOM 0 HD11 LEU B 170 59.209 65.840 49.489 1.00 0.00 H new ATOM 0 HD12 LEU B 170 60.767 66.488 48.922 1.00 0.00 H new ATOM 0 HD13 LEU B 170 59.356 66.484 47.837 1.00 0.00 H new ATOM 0 HD21 LEU B 170 58.389 63.674 48.693 1.00 0.00 H new ATOM 0 HD22 LEU B 170 58.456 64.240 47.007 1.00 0.00 H new ATOM 0 HD23 LEU B 170 59.293 62.741 47.477 1.00 0.00 H new ATOM 880 N LEU B 171 63.833 64.201 45.312 1.00 0.00 N ATOM 881 CA LEU B 171 64.784 64.351 44.197 1.00 0.00 C ATOM 882 C LEU B 171 65.304 63.016 43.624 1.00 0.00 C ATOM 883 O LEU B 171 65.279 62.824 42.415 1.00 0.00 O ATOM 884 CB LEU B 171 65.937 65.287 44.609 1.00 0.00 C ATOM 885 CG LEU B 171 66.908 65.592 43.450 1.00 0.00 C ATOM 886 CD1 LEU B 171 66.246 66.346 42.300 1.00 0.00 C ATOM 887 CD2 LEU B 171 68.106 66.390 43.981 1.00 0.00 C ATOM 0 H LEU B 171 64.136 64.662 46.170 1.00 0.00 H new ATOM 0 HA LEU B 171 64.230 64.804 43.375 1.00 0.00 H new ATOM 0 HB2 LEU B 171 65.522 66.223 44.984 1.00 0.00 H new ATOM 0 HB3 LEU B 171 66.491 64.832 45.430 1.00 0.00 H new ATOM 0 HG LEU B 171 67.239 64.635 43.047 1.00 0.00 H new ATOM 0 HD11 LEU B 171 66.980 66.531 41.516 1.00 0.00 H new ATOM 0 HD12 LEU B 171 65.427 65.750 41.897 1.00 0.00 H new ATOM 0 HD13 LEU B 171 65.857 67.297 42.664 1.00 0.00 H new ATOM 0 HD21 LEU B 171 68.792 66.605 43.162 1.00 0.00 H new ATOM 0 HD22 LEU B 171 67.756 67.326 44.416 1.00 0.00 H new ATOM 0 HD23 LEU B 171 68.623 65.807 44.743 1.00 0.00 H new ATOM 893 N SER B 172 65.714 62.088 44.488 1.00 0.00 N ATOM 894 CA SER B 172 66.191 60.752 44.036 1.00 0.00 C ATOM 895 C SER B 172 65.116 59.943 43.291 1.00 0.00 C ATOM 896 O SER B 172 65.414 59.339 42.260 1.00 0.00 O ATOM 897 CB SER B 172 66.784 59.940 45.200 1.00 0.00 C ATOM 898 OG SER B 172 65.763 59.395 46.039 1.00 0.00 O ATOM 0 H SER B 172 65.731 62.221 45.499 1.00 0.00 H new ATOM 0 HA SER B 172 66.985 60.948 43.315 1.00 0.00 H new ATOM 0 HB2 SER B 172 67.399 59.132 44.804 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.439 60.579 45.792 1.00 0.00 H new ATOM 0 HG SER B 172 65.029 60.039 46.121 1.00 0.00 H new ATOM 904 N HIS B 173 63.877 60.025 43.762 1.00 0.00 N ATOM 905 CA HIS B 173 62.708 59.484 43.028 1.00 0.00 C ATOM 906 C HIS B 173 62.479 60.161 41.666 1.00 0.00 C ATOM 907 O HIS B 173 62.298 59.469 40.665 1.00 0.00 O ATOM 908 CB HIS B 173 61.427 59.517 43.854 1.00 0.00 C ATOM 909 CG HIS B 173 61.456 58.460 44.967 1.00 0.00 C ATOM 910 ND1 HIS B 173 61.927 58.655 46.197 1.00 0.00 N ATOM 911 CD2 HIS B 173 61.128 57.178 44.851 1.00 0.00 C ATOM 912 CE1 HIS B 173 61.872 57.506 46.848 1.00 0.00 C ATOM 913 NE2 HIS B 173 61.397 56.584 46.011 1.00 0.00 N ATOM 0 H HIS B 173 63.641 60.461 44.653 1.00 0.00 H new ATOM 0 HA HIS B 173 62.961 58.441 42.837 1.00 0.00 H new ATOM 0 HB2 HIS B 173 61.299 60.507 44.292 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.569 59.342 43.205 1.00 0.00 H new ATOM 0 HD1 HIS B 173 62.271 59.539 46.572 1.00 0.00 H new ATOM 0 HD2 HIS B 173 60.717 56.703 43.973 1.00 0.00 H new ATOM 0 HE1 HIS B 173 62.161 57.343 47.876 1.00 0.00 H new ATOM 918 N LEU B 174 62.548 61.495 41.633 1.00 0.00 N ATOM 919 CA LEU B 174 62.540 62.267 40.374 1.00 0.00 C ATOM 920 C LEU B 174 63.636 61.806 39.399 1.00 0.00 C ATOM 921 O LEU B 174 63.367 61.639 38.214 1.00 0.00 O ATOM 922 CB LEU B 174 62.729 63.773 40.612 1.00 0.00 C ATOM 923 CG LEU B 174 61.575 64.429 41.379 1.00 0.00 C ATOM 924 CD1 LEU B 174 61.991 65.864 41.713 1.00 0.00 C ATOM 925 CD2 LEU B 174 60.271 64.446 40.584 1.00 0.00 C ATOM 0 H LEU B 174 62.611 62.074 42.471 1.00 0.00 H new ATOM 0 HA LEU B 174 61.558 62.083 39.938 1.00 0.00 H new ATOM 0 HB2 LEU B 174 63.656 63.930 41.164 1.00 0.00 H new ATOM 0 HB3 LEU B 174 62.843 64.272 39.650 1.00 0.00 H new ATOM 0 HG LEU B 174 61.384 63.845 42.279 1.00 0.00 H new ATOM 0 HD11 LEU B 174 61.188 66.358 42.260 1.00 0.00 H new ATOM 0 HD12 LEU B 174 62.892 65.848 42.326 1.00 0.00 H new ATOM 0 HD13 LEU B 174 62.190 66.409 40.790 1.00 0.00 H new ATOM 0 HD21 LEU B 174 59.490 64.922 41.177 1.00 0.00 H new ATOM 0 HD22 LEU B 174 60.416 65.004 39.659 1.00 0.00 H new ATOM 0 HD23 LEU B 174 59.975 63.424 40.348 1.00 0.00 H new ATOM 931 N LEU B 175 64.845 61.611 39.914 1.00 0.00 N ATOM 932 CA LEU B 175 65.990 61.047 39.162 1.00 0.00 C ATOM 933 C LEU B 175 65.759 59.609 38.665 1.00 0.00 C ATOM 934 O LEU B 175 66.172 59.253 37.569 1.00 0.00 O ATOM 935 CB LEU B 175 67.258 61.127 40.005 1.00 0.00 C ATOM 936 CG LEU B 175 67.823 62.550 40.030 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.723 62.730 41.242 1.00 0.00 C ATOM 938 CD2 LEU B 175 68.630 62.823 38.759 1.00 0.00 C ATOM 0 H LEU B 175 65.074 61.840 40.881 1.00 0.00 H new ATOM 0 HA LEU B 175 66.101 61.656 38.265 1.00 0.00 H new ATOM 0 HB2 LEU B 175 67.041 60.802 41.023 1.00 0.00 H new ATOM 0 HB3 LEU B 175 68.007 60.444 39.605 1.00 0.00 H new ATOM 0 HG LEU B 175 66.991 63.252 40.085 1.00 0.00 H new ATOM 0 HD11 LEU B 175 69.121 63.745 41.252 1.00 0.00 H new ATOM 0 HD12 LEU B 175 68.148 62.557 42.151 1.00 0.00 H new ATOM 0 HD13 LEU B 175 69.547 62.018 41.192 1.00 0.00 H new ATOM 0 HD21 LEU B 175 69.026 63.838 38.790 1.00 0.00 H new ATOM 0 HD22 LEU B 175 69.455 62.114 38.693 1.00 0.00 H new ATOM 0 HD23 LEU B 175 67.985 62.712 37.887 1.00 0.00 H new ATOM 944 N ALA B 176 65.111 58.792 39.500 1.00 0.00 N ATOM 945 CA ALA B 176 64.655 57.440 39.109 1.00 0.00 C ATOM 946 C ALA B 176 63.610 57.468 37.977 1.00 0.00 C ATOM 947 O ALA B 176 63.790 56.805 36.964 1.00 0.00 O ATOM 948 CB ALA B 176 64.128 56.699 40.349 1.00 0.00 C ATOM 0 H ALA B 176 64.885 59.040 40.463 1.00 0.00 H new ATOM 0 HA ALA B 176 65.511 56.899 38.705 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.792 55.703 40.062 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.925 56.614 41.088 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.293 57.254 40.777 1.00 0.00 H new ATOM 954 N ILE B 177 62.589 58.331 38.107 1.00 0.00 N ATOM 955 CA ILE B 177 61.631 58.595 37.016 1.00 0.00 C ATOM 956 C ILE B 177 62.395 59.152 35.791 1.00 0.00 C ATOM 957 O ILE B 177 62.080 58.782 34.669 1.00 0.00 O ATOM 958 CB ILE B 177 60.481 59.555 37.410 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.795 59.121 38.707 1.00 0.00 C ATOM 960 CG2 ILE B 177 59.440 59.583 36.287 1.00 0.00 C ATOM 961 CD1 ILE B 177 59.061 60.273 39.404 1.00 0.00 C ATOM 0 H ILE B 177 62.404 58.860 38.959 1.00 0.00 H new ATOM 0 HA ILE B 177 61.155 57.644 36.776 1.00 0.00 H new ATOM 0 HB ILE B 177 60.912 60.544 37.566 1.00 0.00 H new ATOM 0 HG12 ILE B 177 59.085 58.323 38.488 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.540 58.707 39.386 1.00 0.00 H new ATOM 0 HG21 ILE B 177 58.628 60.258 36.560 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.907 59.932 35.366 1.00 0.00 H new ATOM 0 HG23 ILE B 177 59.042 58.580 36.135 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.594 59.907 40.318 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.772 61.061 39.651 1.00 0.00 H new ATOM 0 HD13 ILE B 177 58.295 60.671 38.739 1.00 0.00 H new ATOM 965 N GLY B 178 63.357 60.044 36.027 1.00 0.00 N ATOM 966 CA GLY B 178 64.321 60.541 35.015 1.00 0.00 C ATOM 967 C GLY B 178 64.993 59.415 34.213 1.00 0.00 C ATOM 968 O GLY B 178 64.945 59.430 32.987 1.00 0.00 O ATOM 0 H GLY B 178 63.501 60.459 36.948 1.00 0.00 H new ATOM 0 HA2 GLY B 178 63.803 61.209 34.327 1.00 0.00 H new ATOM 0 HA3 GLY B 178 65.090 61.131 35.514 1.00 0.00 H new ATOM 972 N LEU B 179 65.561 58.447 34.922 1.00 0.00 N ATOM 973 CA LEU B 179 66.144 57.224 34.330 1.00 0.00 C ATOM 974 C LEU B 179 65.108 56.441 33.498 1.00 0.00 C ATOM 975 O LEU B 179 65.350 56.118 32.336 1.00 0.00 O ATOM 976 CB LEU B 179 66.718 56.362 35.467 1.00 0.00 C ATOM 977 CG LEU B 179 67.691 55.293 34.974 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.981 55.918 34.423 1.00 0.00 C ATOM 979 CD2 LEU B 179 68.030 54.342 36.117 1.00 0.00 C ATOM 0 H LEU B 179 65.636 58.479 35.939 1.00 0.00 H new ATOM 0 HA LEU B 179 66.941 57.501 33.640 1.00 0.00 H new ATOM 0 HB2 LEU B 179 67.228 57.007 36.182 1.00 0.00 H new ATOM 0 HB3 LEU B 179 65.898 55.881 36.000 1.00 0.00 H new ATOM 0 HG LEU B 179 67.209 54.745 34.165 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.651 55.129 34.081 1.00 0.00 H new ATOM 0 HD12 LEU B 179 68.739 56.576 33.588 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.470 56.494 35.208 1.00 0.00 H new ATOM 0 HD21 LEU B 179 68.724 53.580 35.763 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.490 54.902 36.932 1.00 0.00 H new ATOM 0 HD23 LEU B 179 67.118 53.864 36.475 1.00 0.00 H new ATOM 985 N GLY B 180 63.903 56.304 34.066 1.00 0.00 N ATOM 986 CA GLY B 180 62.733 55.694 33.394 1.00 0.00 C ATOM 987 C GLY B 180 62.289 56.422 32.111 1.00 0.00 C ATOM 988 O GLY B 180 62.082 55.789 31.090 1.00 0.00 O ATOM 0 H GLY B 180 63.704 56.615 35.017 1.00 0.00 H new ATOM 0 HA2 GLY B 180 62.969 54.659 33.147 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.897 55.672 34.093 1.00 0.00 H new ATOM 992 N ILE B 181 62.020 57.711 32.230 1.00 0.00 N ATOM 993 CA ILE B 181 61.592 58.580 31.116 1.00 0.00 C ATOM 994 C ILE B 181 62.658 58.695 30.001 1.00 0.00 C ATOM 995 O ILE B 181 62.322 58.931 28.842 1.00 0.00 O ATOM 996 CB ILE B 181 61.110 59.939 31.665 1.00 0.00 C ATOM 997 CG1 ILE B 181 60.100 60.618 30.733 1.00 0.00 C ATOM 998 CG2 ILE B 181 62.249 60.905 32.009 1.00 0.00 C ATOM 999 CD1 ILE B 181 58.718 59.972 30.848 1.00 0.00 C ATOM 0 H ILE B 181 62.091 58.206 33.119 1.00 0.00 H new ATOM 0 HA ILE B 181 60.742 58.113 30.619 1.00 0.00 H new ATOM 0 HB ILE B 181 60.608 59.695 32.601 1.00 0.00 H new ATOM 0 HG12 ILE B 181 60.030 61.678 30.979 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.450 60.552 29.703 1.00 0.00 H new ATOM 0 HG21 ILE B 181 61.833 61.838 32.389 1.00 0.00 H new ATOM 0 HG22 ILE B 181 62.889 60.457 32.770 1.00 0.00 H new ATOM 0 HG23 ILE B 181 62.837 61.108 31.114 1.00 0.00 H new ATOM 0 HD11 ILE B 181 58.024 60.475 30.175 1.00 0.00 H new ATOM 0 HD12 ILE B 181 58.785 58.918 30.578 1.00 0.00 H new ATOM 0 HD13 ILE B 181 58.359 60.062 31.873 1.00 0.00 H new ATOM 1003 N TYR B 182 63.927 58.559 30.368 1.00 0.00 N ATOM 1004 CA TYR B 182 65.034 58.391 29.410 1.00 0.00 C ATOM 1005 C TYR B 182 64.811 57.137 28.533 1.00 0.00 C ATOM 1006 O TYR B 182 64.780 57.227 27.303 1.00 0.00 O ATOM 1007 CB TYR B 182 66.355 58.317 30.196 1.00 0.00 C ATOM 1008 CG TYR B 182 67.589 58.256 29.291 1.00 0.00 C ATOM 1009 CD1 TYR B 182 67.960 56.999 28.754 1.00 0.00 C ATOM 1010 CD2 TYR B 182 68.071 59.465 28.732 1.00 0.00 C ATOM 1011 CE1 TYR B 182 68.747 56.959 27.586 1.00 0.00 C ATOM 1012 CE2 TYR B 182 68.885 59.411 27.585 1.00 0.00 C ATOM 1013 CZ TYR B 182 69.175 58.170 27.014 1.00 0.00 C ATOM 1014 OH TYR B 182 69.778 58.131 25.795 1.00 0.00 O ATOM 0 H TYR B 182 64.228 58.561 31.343 1.00 0.00 H new ATOM 0 HA TYR B 182 65.076 59.243 28.731 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.432 59.187 30.848 1.00 0.00 H new ATOM 0 HB3 TYR B 182 66.340 57.437 30.839 1.00 0.00 H new ATOM 0 HD1 TYR B 182 67.644 56.084 29.233 1.00 0.00 H new ATOM 0 HD2 TYR B 182 67.818 60.415 29.180 1.00 0.00 H new ATOM 0 HE1 TYR B 182 69.017 56.014 27.138 1.00 0.00 H new ATOM 0 HE2 TYR B 182 69.280 60.318 27.152 1.00 0.00 H new ATOM 0 HH TYR B 182 70.021 59.040 25.521 1.00 0.00 H new ATOM 1019 N ILE B 183 64.597 56.000 29.190 1.00 0.00 N ATOM 1020 CA ILE B 183 64.177 54.728 28.543 1.00 0.00 C ATOM 1021 C ILE B 183 62.892 54.974 27.718 1.00 0.00 C ATOM 1022 O ILE B 183 62.853 54.634 26.540 1.00 0.00 O ATOM 1023 CB ILE B 183 63.967 53.614 29.593 1.00 0.00 C ATOM 1024 CG1 ILE B 183 65.207 53.447 30.480 1.00 0.00 C ATOM 1025 CG2 ILE B 183 63.610 52.276 28.922 1.00 0.00 C ATOM 1026 CD1 ILE B 183 64.968 52.712 31.807 1.00 0.00 C ATOM 0 H ILE B 183 64.708 55.919 30.201 1.00 0.00 H new ATOM 0 HA ILE B 183 64.967 54.390 27.872 1.00 0.00 H new ATOM 0 HB ILE B 183 63.131 53.916 30.224 1.00 0.00 H new ATOM 0 HG12 ILE B 183 65.967 52.907 29.916 1.00 0.00 H new ATOM 0 HG13 ILE B 183 65.613 54.435 30.698 1.00 0.00 H new ATOM 0 HG21 ILE B 183 63.468 51.512 29.686 1.00 0.00 H new ATOM 0 HG22 ILE B 183 62.690 52.391 28.349 1.00 0.00 H new ATOM 0 HG23 ILE B 183 64.418 51.976 28.255 1.00 0.00 H new ATOM 0 HD11 ILE B 183 65.905 52.646 32.360 1.00 0.00 H new ATOM 0 HD12 ILE B 183 64.235 53.260 32.399 1.00 0.00 H new ATOM 0 HD13 ILE B 183 64.594 51.708 31.605 1.00 0.00 H new