USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 398 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 Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.32) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 45:sc= 1.17 USER MOD Single : A 57 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -140:sc= -0.129 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.690 31.883 28.226 1.00 0.00 N ATOM 272 CA CYS A 19 29.131 33.140 28.821 1.00 0.00 C ATOM 273 C CYS A 19 29.965 32.886 30.073 1.00 0.00 C ATOM 274 O CYS A 19 29.648 32.006 30.872 1.00 0.00 O ATOM 275 CB CYS A 19 27.926 34.016 29.165 1.00 0.00 C ATOM 276 SG CYS A 19 27.321 35.016 27.785 1.00 0.00 S ATOM 0 HA CYS A 19 29.752 33.660 28.092 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.116 33.378 29.520 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.195 34.678 29.989 1.00 0.00 H new ATOM 0 HG CYS A 19 26.300 35.720 28.174 1.00 0.00 H new ATOM 282 N GLN A 20 31.032 33.662 30.234 1.00 0.00 N ATOM 283 CA GLN A 20 31.912 33.519 31.388 1.00 0.00 C ATOM 284 C GLN A 20 32.399 34.880 31.873 1.00 0.00 C ATOM 285 O GLN A 20 32.242 35.888 31.186 1.00 0.00 O ATOM 286 CB GLN A 20 33.108 32.632 31.036 1.00 0.00 C ATOM 287 CG GLN A 20 34.095 33.290 30.086 1.00 0.00 C ATOM 288 CD GLN A 20 34.542 32.363 28.973 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.723 31.697 28.339 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.846 32.314 28.731 1.00 0.00 N ATOM 0 H GLN A 20 31.308 34.395 29.581 1.00 0.00 H new ATOM 0 HA GLN A 20 31.344 33.050 32.191 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.628 32.357 31.954 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.745 31.708 30.586 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.637 34.179 29.651 1.00 0.00 H new ATOM 0 HG3 GLN A 20 34.967 33.623 30.648 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.489 32.884 29.281 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.206 31.707 27.995 1.00 0.00 H new ATOM 299 N GLY A 21 32.990 34.901 33.064 1.00 0.00 N ATOM 300 CA GLY A 21 33.491 36.144 33.621 1.00 0.00 C ATOM 301 C GLY A 21 34.554 35.920 34.677 1.00 0.00 C ATOM 302 O GLY A 21 35.445 35.088 34.505 1.00 0.00 O ATOM 0 H GLY A 21 33.131 34.080 33.653 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.903 36.757 32.820 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.663 36.703 34.057 1.00 0.00 H new ATOM 306 N VAL A 22 34.464 36.665 35.775 1.00 0.00 N ATOM 307 CA VAL A 22 35.427 36.543 36.863 1.00 0.00 C ATOM 308 C VAL A 22 34.767 36.804 38.212 1.00 0.00 C ATOM 309 O VAL A 22 33.997 37.753 38.366 1.00 0.00 O ATOM 310 CB VAL A 22 36.604 37.519 36.682 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.631 37.328 37.788 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.242 37.337 35.313 1.00 0.00 C ATOM 0 H VAL A 22 33.734 37.359 35.934 1.00 0.00 H new ATOM 0 HA VAL A 22 35.805 35.521 36.839 1.00 0.00 H new ATOM 0 HB VAL A 22 36.222 38.538 36.746 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.455 38.026 37.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.163 37.514 38.755 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.011 36.307 37.759 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.072 38.035 35.203 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.611 36.316 35.216 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.501 37.530 34.538 1.00 0.00 H new ATOM 322 N VAL A 23 35.073 35.956 39.189 1.00 0.00 N ATOM 323 CA VAL A 23 34.511 36.095 40.527 1.00 0.00 C ATOM 324 C VAL A 23 34.964 37.396 41.180 1.00 0.00 C ATOM 325 O VAL A 23 36.105 37.514 41.628 1.00 0.00 O ATOM 326 CB VAL A 23 34.912 34.914 41.430 1.00 0.00 C ATOM 327 CG1 VAL A 23 34.323 35.082 42.822 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.469 33.597 40.810 1.00 0.00 C ATOM 0 H VAL A 23 35.707 35.165 39.079 1.00 0.00 H new ATOM 0 HA VAL A 23 33.427 36.105 40.415 1.00 0.00 H new ATOM 0 HB VAL A 23 35.998 34.900 41.521 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.617 34.238 43.446 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.693 36.007 43.265 1.00 0.00 H new ATOM 0 HG13 VAL A 23 33.236 35.122 42.755 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.760 32.772 41.461 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.386 33.598 40.688 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.943 33.476 39.836 1.00 0.00 H new ATOM 338 N CYS A 24 34.062 38.371 41.232 1.00 0.00 N ATOM 339 CA CYS A 24 34.369 39.665 41.831 1.00 0.00 C ATOM 340 C CYS A 24 33.740 39.786 43.215 1.00 0.00 C ATOM 341 O CYS A 24 34.261 40.482 44.086 1.00 0.00 O ATOM 342 CB CYS A 24 33.873 40.797 40.931 1.00 0.00 C ATOM 343 SG CYS A 24 34.672 42.390 41.239 1.00 0.00 S ATOM 0 H CYS A 24 33.113 38.290 40.867 1.00 0.00 H new ATOM 0 HA CYS A 24 35.451 39.742 41.936 1.00 0.00 H new ATOM 0 HB2 CYS A 24 34.035 40.517 39.890 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.797 40.910 41.067 1.00 0.00 H new ATOM 0 HG CYS A 24 34.187 43.283 40.428 1.00 0.00 H new ATOM 349 N ALA A 25 32.615 39.106 43.409 1.00 0.00 N ATOM 350 CA ALA A 25 31.914 39.138 44.687 1.00 0.00 C ATOM 351 C ALA A 25 32.146 37.851 45.472 1.00 0.00 C ATOM 352 O ALA A 25 32.293 36.776 44.890 1.00 0.00 O ATOM 353 CB ALA A 25 30.426 39.363 44.468 1.00 0.00 C ATOM 0 H ALA A 25 32.169 38.526 42.698 1.00 0.00 H new ATOM 0 HA ALA A 25 32.313 39.967 45.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.916 39.385 45.431 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.273 40.313 43.955 1.00 0.00 H new ATOM 0 HB3 ALA A 25 30.021 38.553 43.861 1.00 0.00 H new ATOM 359 N MET A 26 32.178 37.968 46.795 1.00 0.00 N ATOM 360 CA MET A 26 32.391 36.812 47.659 1.00 0.00 C ATOM 361 C MET A 26 31.455 36.853 48.863 1.00 0.00 C ATOM 362 O MET A 26 31.432 37.831 49.611 1.00 0.00 O ATOM 363 CB MET A 26 33.846 36.763 48.131 1.00 0.00 C ATOM 364 CG MET A 26 34.805 36.214 47.087 1.00 0.00 C ATOM 365 SD MET A 26 36.145 35.251 47.814 1.00 0.00 S ATOM 366 CE MET A 26 35.595 33.584 47.458 1.00 0.00 C ATOM 0 H MET A 26 32.059 38.851 47.292 1.00 0.00 H new ATOM 0 HA MET A 26 32.173 35.913 47.082 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.163 37.768 48.411 1.00 0.00 H new ATOM 0 HB3 MET A 26 33.908 36.148 49.029 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.253 35.589 46.385 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.226 37.041 46.515 1.00 0.00 H new ATOM 0 HE1 MET A 26 36.321 32.870 47.847 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.628 33.411 47.930 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.500 33.455 46.380 1.00 0.00 H new ATOM 376 N LYS A 27 30.684 35.786 49.044 1.00 0.00 N ATOM 377 CA LYS A 27 29.747 35.699 50.157 1.00 0.00 C ATOM 378 C LYS A 27 29.607 34.259 50.640 1.00 0.00 C ATOM 379 O LYS A 27 30.167 33.339 50.044 1.00 0.00 O ATOM 380 CB LYS A 27 28.378 36.244 49.742 1.00 0.00 C ATOM 381 CG LYS A 27 27.819 37.280 50.703 1.00 0.00 C ATOM 382 CD LYS A 27 27.950 38.687 50.145 1.00 0.00 C ATOM 383 CE LYS A 27 28.325 39.684 51.230 1.00 0.00 C ATOM 384 NZ LYS A 27 28.057 41.087 50.810 1.00 0.00 N ATOM 0 H LYS A 27 30.690 34.969 48.433 1.00 0.00 H new ATOM 0 HA LYS A 27 30.139 36.302 50.976 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.458 36.687 48.749 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.674 35.415 49.665 1.00 0.00 H new ATOM 0 HG2 LYS A 27 26.770 37.063 50.903 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.345 37.215 51.656 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.707 38.699 49.361 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.008 38.986 49.684 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.762 39.463 52.137 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.381 39.574 51.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.326 41.736 51.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.613 41.307 49.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.045 41.199 50.600 1.00 0.00 H new ATOM 398 N GLU A 28 28.856 34.072 51.721 1.00 0.00 N ATOM 399 CA GLU A 28 28.643 32.743 52.281 1.00 0.00 C ATOM 400 C GLU A 28 27.271 32.201 51.891 1.00 0.00 C ATOM 401 O GLU A 28 26.526 31.704 52.735 1.00 0.00 O ATOM 402 CB GLU A 28 28.774 32.780 53.805 1.00 0.00 C ATOM 403 CG GLU A 28 29.016 31.416 54.429 1.00 0.00 C ATOM 404 CD GLU A 28 30.475 31.007 54.391 1.00 0.00 C ATOM 405 OE1 GLU A 28 31.232 31.580 53.579 1.00 0.00 O ATOM 406 OE2 GLU A 28 30.861 30.113 55.173 1.00 0.00 O ATOM 0 H GLU A 28 28.386 34.823 52.226 1.00 0.00 H new ATOM 0 HA GLU A 28 29.406 32.079 51.874 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.595 33.444 54.074 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.866 33.208 54.229 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.673 31.428 55.464 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.420 30.670 53.904 1.00 0.00 H new ATOM 413 N ALA A 29 26.945 32.302 50.607 1.00 0.00 N ATOM 414 CA ALA A 29 25.664 31.822 50.104 1.00 0.00 C ATOM 415 C ALA A 29 25.568 31.994 48.592 1.00 0.00 C ATOM 416 O ALA A 29 25.142 31.086 47.879 1.00 0.00 O ATOM 417 CB ALA A 29 24.519 32.549 50.794 1.00 0.00 C ATOM 0 H ALA A 29 27.550 32.712 49.896 1.00 0.00 H new ATOM 0 HA ALA A 29 25.591 30.758 50.327 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.569 32.180 50.408 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.569 32.370 51.868 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.598 33.619 50.601 1.00 0.00 H new ATOM 423 N PHE A 30 25.966 33.167 48.108 1.00 0.00 N ATOM 424 CA PHE A 30 25.923 33.459 46.680 1.00 0.00 C ATOM 425 C PHE A 30 26.946 34.530 46.314 1.00 0.00 C ATOM 426 O PHE A 30 27.550 35.152 47.186 1.00 0.00 O ATOM 427 CB PHE A 30 24.521 33.917 46.274 1.00 0.00 C ATOM 428 CG PHE A 30 23.936 34.947 47.197 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.509 36.204 47.306 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.813 34.659 47.956 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.973 37.155 48.155 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.272 35.605 48.806 1.00 0.00 C ATOM 433 CZ PHE A 30 22.853 36.854 48.906 1.00 0.00 C ATOM 0 H PHE A 30 26.322 33.930 48.684 1.00 0.00 H new ATOM 0 HA PHE A 30 26.170 32.545 46.139 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.559 34.326 45.264 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.860 33.051 46.243 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.385 36.444 46.721 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.355 33.684 47.882 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.429 38.131 48.231 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.396 35.368 49.391 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.432 37.594 49.570 1.00 0.00 H new ATOM 443 N GLY A 31 27.136 34.738 45.014 1.00 0.00 N ATOM 444 CA GLY A 31 28.087 35.733 44.554 1.00 0.00 C ATOM 445 C GLY A 31 27.740 36.276 43.182 1.00 0.00 C ATOM 446 O GLY A 31 26.721 35.904 42.599 1.00 0.00 O ATOM 0 H GLY A 31 26.649 34.235 44.272 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.122 36.555 45.269 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.084 35.293 44.526 1.00 0.00 H new ATOM 450 N PHE A 32 28.587 37.159 42.665 1.00 0.00 N ATOM 451 CA PHE A 32 28.363 37.757 41.354 1.00 0.00 C ATOM 452 C PHE A 32 29.589 37.586 40.461 1.00 0.00 C ATOM 453 O PHE A 32 30.697 37.358 40.948 1.00 0.00 O ATOM 454 CB PHE A 32 28.026 39.243 41.497 1.00 0.00 C ATOM 455 CG PHE A 32 26.725 39.496 42.204 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.632 39.361 43.580 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.596 39.870 41.493 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.436 39.594 44.233 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.398 40.104 42.141 1.00 0.00 C ATOM 460 CZ PHE A 32 24.318 39.967 43.513 1.00 0.00 C ATOM 0 H PHE A 32 29.435 37.477 43.134 1.00 0.00 H new ATOM 0 HA PHE A 32 27.521 37.244 40.889 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.829 39.739 42.042 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.986 39.696 40.506 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.503 39.071 44.148 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.653 39.980 40.420 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.376 39.484 45.306 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.525 40.394 41.575 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.383 40.151 44.022 1.00 0.00 H new ATOM 470 N ILE A 33 29.381 37.698 39.154 1.00 0.00 N ATOM 471 CA ILE A 33 30.469 37.556 38.193 1.00 0.00 C ATOM 472 C ILE A 33 30.641 38.826 37.366 1.00 0.00 C ATOM 473 O ILE A 33 29.670 39.521 37.071 1.00 0.00 O ATOM 474 CB ILE A 33 30.231 36.367 37.244 1.00 0.00 C ATOM 475 CG1 ILE A 33 29.857 35.116 38.042 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.467 36.111 36.396 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.573 33.909 37.176 1.00 0.00 C ATOM 0 H ILE A 33 28.470 37.887 38.736 1.00 0.00 H new ATOM 0 HA ILE A 33 31.377 37.374 38.769 1.00 0.00 H new ATOM 0 HB ILE A 33 29.403 36.612 36.579 1.00 0.00 H new ATOM 0 HG12 ILE A 33 30.669 34.877 38.729 1.00 0.00 H new ATOM 0 HG13 ILE A 33 28.978 35.332 38.650 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.283 35.268 35.730 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.692 36.998 35.804 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.313 35.883 37.045 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.315 33.060 37.809 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.741 34.129 36.507 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.458 33.667 36.587 1.00 0.00 H new ATOM 489 N GLU A 34 31.883 39.120 36.995 1.00 0.00 N ATOM 490 CA GLU A 34 32.181 40.306 36.201 1.00 0.00 C ATOM 491 C GLU A 34 32.236 39.966 34.714 1.00 0.00 C ATOM 492 O GLU A 34 32.931 39.036 34.305 1.00 0.00 O ATOM 493 CB GLU A 34 33.510 40.923 36.643 1.00 0.00 C ATOM 494 CG GLU A 34 33.356 42.267 37.335 1.00 0.00 C ATOM 495 CD GLU A 34 34.068 43.386 36.600 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.316 43.364 36.553 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.379 44.283 36.072 1.00 0.00 O ATOM 0 H GLU A 34 32.698 38.554 37.231 1.00 0.00 H new ATOM 0 HA GLU A 34 31.381 41.029 36.362 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.015 40.232 37.318 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.153 41.044 35.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.297 42.509 37.419 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.748 42.196 38.349 1.00 0.00 H new ATOM 601 N GLU A 41 26.115 41.806 33.546 1.00 0.00 N ATOM 602 CA GLU A 41 26.453 40.890 34.630 1.00 0.00 C ATOM 603 C GLU A 41 25.267 39.994 34.974 1.00 0.00 C ATOM 604 O GLU A 41 24.142 40.243 34.541 1.00 0.00 O ATOM 605 CB GLU A 41 26.893 41.672 35.869 1.00 0.00 C ATOM 606 CG GLU A 41 25.812 42.580 36.432 1.00 0.00 C ATOM 607 CD GLU A 41 25.993 44.028 36.020 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.739 44.279 35.050 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.389 44.909 36.666 1.00 0.00 O ATOM 0 HA GLU A 41 27.277 40.260 34.296 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.203 40.968 36.641 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.766 42.274 35.617 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.837 42.230 36.095 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.816 42.512 37.520 1.00 0.00 H new ATOM 616 N ILE A 42 25.529 38.951 35.755 1.00 0.00 N ATOM 617 CA ILE A 42 24.484 38.019 36.158 1.00 0.00 C ATOM 618 C ILE A 42 24.701 37.534 37.588 1.00 0.00 C ATOM 619 O ILE A 42 25.771 37.726 38.164 1.00 0.00 O ATOM 620 CB ILE A 42 24.424 36.800 35.219 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.515 35.792 35.585 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.567 37.241 33.770 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.912 36.372 35.543 1.00 0.00 C ATOM 0 H ILE A 42 26.455 38.731 36.121 1.00 0.00 H new ATOM 0 HA ILE A 42 23.540 38.560 36.099 1.00 0.00 H new ATOM 0 HB ILE A 42 23.455 36.316 35.337 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.321 35.406 36.586 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.461 34.946 34.900 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.523 36.369 33.118 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.757 37.925 33.516 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.524 37.746 33.636 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.634 35.602 35.813 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.126 36.733 34.537 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.984 37.200 36.248 1.00 0.00 H new ATOM 635 N PHE A 43 23.678 36.903 38.154 1.00 0.00 N ATOM 636 CA PHE A 43 23.756 36.390 39.517 1.00 0.00 C ATOM 637 C PHE A 43 23.738 34.864 39.525 1.00 0.00 C ATOM 638 O PHE A 43 22.872 34.239 38.912 1.00 0.00 O ATOM 639 CB PHE A 43 22.596 36.929 40.356 1.00 0.00 C ATOM 640 CG PHE A 43 22.498 36.302 41.717 1.00 0.00 C ATOM 641 CD1 PHE A 43 23.292 36.751 42.760 1.00 0.00 C ATOM 642 CD2 PHE A 43 21.611 35.264 41.954 1.00 0.00 C ATOM 643 CE1 PHE A 43 23.204 36.175 44.013 1.00 0.00 C ATOM 644 CE2 PHE A 43 21.518 34.684 43.205 1.00 0.00 C ATOM 645 CZ PHE A 43 22.315 35.141 44.237 1.00 0.00 C ATOM 0 H PHE A 43 22.785 36.734 37.690 1.00 0.00 H new ATOM 0 HA PHE A 43 24.697 36.728 39.952 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.710 38.007 40.469 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.662 36.762 39.820 1.00 0.00 H new ATOM 0 HD1 PHE A 43 23.987 37.560 42.592 1.00 0.00 H new ATOM 0 HD2 PHE A 43 20.985 34.904 41.151 1.00 0.00 H new ATOM 0 HE1 PHE A 43 23.830 36.533 44.817 1.00 0.00 H new ATOM 0 HE2 PHE A 43 20.823 33.875 43.376 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.243 34.691 45.216 1.00 0.00 H new ATOM 655 N PHE A 44 24.700 34.270 40.223 1.00 0.00 N ATOM 656 CA PHE A 44 24.797 32.818 40.311 1.00 0.00 C ATOM 657 C PHE A 44 24.798 32.359 41.766 1.00 0.00 C ATOM 658 O PHE A 44 25.291 33.061 42.650 1.00 0.00 O ATOM 659 CB PHE A 44 26.064 32.327 39.608 1.00 0.00 C ATOM 660 CG PHE A 44 27.325 32.629 40.366 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.784 33.932 40.481 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.052 31.612 40.963 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.944 34.214 41.178 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.212 31.888 41.662 1.00 0.00 C ATOM 665 CZ PHE A 44 29.659 33.190 41.768 1.00 0.00 C ATOM 0 H PHE A 44 25.424 34.772 40.736 1.00 0.00 H new ATOM 0 HA PHE A 44 23.926 32.390 39.815 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.991 31.250 39.455 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.124 32.786 38.621 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.229 34.736 40.021 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.708 30.591 40.881 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.291 35.233 41.261 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.768 31.086 42.125 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.567 33.408 42.312 1.00 0.00 H new ATOM 675 N HIS A 45 24.242 31.177 42.008 1.00 0.00 N ATOM 676 CA HIS A 45 24.178 30.623 43.356 1.00 0.00 C ATOM 677 C HIS A 45 25.232 29.536 43.548 1.00 0.00 C ATOM 678 O HIS A 45 25.404 28.668 42.692 1.00 0.00 O ATOM 679 CB HIS A 45 22.786 30.054 43.632 1.00 0.00 C ATOM 680 CG HIS A 45 22.245 30.420 44.980 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.613 29.771 46.139 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.361 31.376 45.349 1.00 0.00 C ATOM 683 CE1 HIS A 45 21.976 30.311 47.164 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.210 31.287 46.711 1.00 0.00 N ATOM 0 H HIS A 45 23.829 30.584 41.288 1.00 0.00 H new ATOM 0 HA HIS A 45 24.379 31.429 44.062 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.098 30.410 42.865 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.823 28.968 43.547 1.00 0.00 H new ATOM 0 HD2 HIS A 45 20.866 32.078 44.694 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.067 30.006 48.196 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.605 31.878 47.280 1.00 0.00 H new ATOM 692 N TYR A 46 25.934 29.592 44.674 1.00 0.00 N ATOM 693 CA TYR A 46 26.972 28.614 44.976 1.00 0.00 C ATOM 694 C TYR A 46 26.421 27.193 44.903 1.00 0.00 C ATOM 695 O TYR A 46 27.144 26.251 44.580 1.00 0.00 O ATOM 696 CB TYR A 46 27.559 28.874 46.364 1.00 0.00 C ATOM 697 CG TYR A 46 28.680 29.889 46.368 1.00 0.00 C ATOM 698 CD1 TYR A 46 29.775 29.746 45.525 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.644 30.990 47.214 1.00 0.00 C ATOM 700 CE1 TYR A 46 30.802 30.670 45.525 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.665 31.920 47.219 1.00 0.00 C ATOM 702 CZ TYR A 46 30.742 31.756 46.373 1.00 0.00 C ATOM 703 OH TYR A 46 31.762 32.679 46.377 1.00 0.00 O ATOM 0 H TYR A 46 25.803 30.304 45.393 1.00 0.00 H new ATOM 0 HA TYR A 46 27.760 28.717 44.230 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.765 29.220 47.026 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.930 27.935 46.774 1.00 0.00 H new ATOM 0 HD1 TYR A 46 29.824 28.898 44.858 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.803 31.121 47.879 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.647 30.543 44.865 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.620 32.771 47.882 1.00 0.00 H new ATOM 0 HH TYR A 46 31.564 33.382 47.031 1.00 0.00 H new ATOM 713 N SER A 47 25.135 27.048 45.205 1.00 0.00 N ATOM 714 CA SER A 47 24.485 25.743 45.176 1.00 0.00 C ATOM 715 C SER A 47 24.681 25.068 43.822 1.00 0.00 C ATOM 716 O SER A 47 24.779 23.845 43.735 1.00 0.00 O ATOM 717 CB SER A 47 22.992 25.886 45.477 1.00 0.00 C ATOM 718 OG SER A 47 22.527 24.810 46.273 1.00 0.00 O ATOM 0 H SER A 47 24.522 27.818 45.473 1.00 0.00 H new ATOM 0 HA SER A 47 24.944 25.119 45.943 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.810 26.829 45.993 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.431 25.920 44.543 1.00 0.00 H new ATOM 0 HG SER A 47 21.571 24.926 46.453 1.00 0.00 H new ATOM 724 N GLU A 48 24.735 25.876 42.768 1.00 0.00 N ATOM 725 CA GLU A 48 24.918 25.357 41.417 1.00 0.00 C ATOM 726 C GLU A 48 26.399 25.292 41.055 1.00 0.00 C ATOM 727 O GLU A 48 26.810 24.485 40.221 1.00 0.00 O ATOM 728 CB GLU A 48 24.172 26.231 40.406 1.00 0.00 C ATOM 729 CG GLU A 48 22.723 25.822 40.200 1.00 0.00 C ATOM 730 CD GLU A 48 21.894 25.959 41.462 1.00 0.00 C ATOM 731 OE1 GLU A 48 22.122 26.926 42.220 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.017 25.101 41.692 1.00 0.00 O ATOM 0 H GLU A 48 24.655 26.891 42.823 1.00 0.00 H new ATOM 0 HA GLU A 48 24.509 24.347 41.385 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.204 27.268 40.741 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.692 26.189 39.449 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.284 26.436 39.413 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.686 24.788 39.856 1.00 0.00 H new ATOM 739 N PHE A 49 27.195 26.147 41.688 1.00 0.00 N ATOM 740 CA PHE A 49 28.630 26.188 41.432 1.00 0.00 C ATOM 741 C PHE A 49 29.246 24.799 41.565 1.00 0.00 C ATOM 742 O PHE A 49 29.199 24.185 42.631 1.00 0.00 O ATOM 743 CB PHE A 49 29.314 27.157 42.399 1.00 0.00 C ATOM 744 CG PHE A 49 30.803 27.233 42.218 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.351 27.966 41.178 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.655 26.570 43.087 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.721 28.039 41.008 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.026 26.639 42.923 1.00 0.00 C ATOM 749 CZ PHE A 49 33.559 27.373 41.881 1.00 0.00 C ATOM 0 H PHE A 49 26.871 26.821 42.382 1.00 0.00 H new ATOM 0 HA PHE A 49 28.782 26.537 40.411 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.889 28.152 42.266 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.095 26.851 43.422 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.700 28.487 40.492 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.243 25.993 43.902 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.135 28.616 40.194 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.679 26.120 43.608 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.630 27.426 41.749 1.00 0.00 H new ATOM 759 N LYS A 50 29.824 24.308 40.474 1.00 0.00 N ATOM 760 CA LYS A 50 30.451 22.991 40.466 1.00 0.00 C ATOM 761 C LYS A 50 31.967 23.110 40.579 1.00 0.00 C ATOM 762 O LYS A 50 32.683 23.015 39.583 1.00 0.00 O ATOM 763 CB LYS A 50 30.082 22.236 39.187 1.00 0.00 C ATOM 764 CG LYS A 50 28.587 22.179 38.923 1.00 0.00 C ATOM 765 CD LYS A 50 27.845 21.506 40.065 1.00 0.00 C ATOM 766 CE LYS A 50 28.215 20.035 40.181 1.00 0.00 C ATOM 767 NZ LYS A 50 27.107 19.229 40.763 1.00 0.00 N ATOM 0 H LYS A 50 29.871 24.803 39.583 1.00 0.00 H new ATOM 0 HA LYS A 50 30.082 22.435 41.328 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.574 22.713 38.339 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.470 21.219 39.251 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.202 23.189 38.783 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.401 21.636 37.996 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.076 22.015 41.001 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.771 21.601 39.908 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.468 19.645 39.195 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.104 19.932 40.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.398 18.233 40.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.882 19.584 41.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.266 19.306 40.156 1.00 0.00 H new ATOM 781 N GLY A 51 32.451 23.317 41.800 1.00 0.00 N ATOM 782 CA GLY A 51 33.879 23.444 42.021 1.00 0.00 C ATOM 783 C GLY A 51 34.233 23.538 43.492 1.00 0.00 C ATOM 784 O GLY A 51 33.353 23.682 44.340 1.00 0.00 O ATOM 0 H GLY A 51 31.879 23.399 42.640 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.389 22.586 41.582 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.246 24.331 41.505 1.00 0.00 H new ATOM 788 N ASP A 52 35.524 23.454 43.795 1.00 0.00 N ATOM 789 CA ASP A 52 35.992 23.529 45.174 1.00 0.00 C ATOM 790 C ASP A 52 35.769 24.925 45.748 1.00 0.00 C ATOM 791 O ASP A 52 36.541 25.847 45.483 1.00 0.00 O ATOM 792 CB ASP A 52 37.475 23.163 45.252 1.00 0.00 C ATOM 793 CG ASP A 52 37.760 21.781 44.697 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.044 20.831 45.075 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.700 21.650 43.885 1.00 0.00 O ATOM 0 H ASP A 52 36.265 23.334 43.104 1.00 0.00 H new ATOM 0 HA ASP A 52 35.418 22.816 45.766 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.058 23.900 44.700 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.804 23.209 46.290 1.00 0.00 H new ATOM 800 N LEU A 53 34.708 25.073 46.533 1.00 0.00 N ATOM 801 CA LEU A 53 34.382 26.357 47.145 1.00 0.00 C ATOM 802 C LEU A 53 35.387 26.711 48.236 1.00 0.00 C ATOM 803 O LEU A 53 35.405 27.836 48.734 1.00 0.00 O ATOM 804 CB LEU A 53 32.968 26.322 47.728 1.00 0.00 C ATOM 805 CG LEU A 53 32.038 27.458 47.303 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.754 26.901 46.706 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.730 28.366 48.484 1.00 0.00 C ATOM 0 H LEU A 53 34.059 24.320 46.761 1.00 0.00 H new ATOM 0 HA LEU A 53 34.430 27.123 46.371 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.505 25.376 47.448 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.045 26.330 48.815 1.00 0.00 H new ATOM 0 HG LEU A 53 32.543 28.049 46.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.104 27.724 46.409 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.992 26.294 45.833 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.245 26.286 47.448 1.00 0.00 H new ATOM 0 HD21 LEU A 53 31.067 29.169 48.162 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.245 27.788 49.271 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.657 28.793 48.866 1.00 0.00 H new ATOM 819 N GLU A 54 36.222 25.743 48.601 1.00 0.00 N ATOM 820 CA GLU A 54 37.230 25.955 49.633 1.00 0.00 C ATOM 821 C GLU A 54 38.414 26.746 49.083 1.00 0.00 C ATOM 822 O GLU A 54 38.990 27.586 49.776 1.00 0.00 O ATOM 823 CB GLU A 54 37.714 24.613 50.188 1.00 0.00 C ATOM 824 CG GLU A 54 38.271 23.681 49.125 1.00 0.00 C ATOM 825 CD GLU A 54 38.770 22.370 49.703 1.00 0.00 C ATOM 826 OE1 GLU A 54 39.898 22.351 50.240 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.035 21.365 49.618 1.00 0.00 O ATOM 0 H GLU A 54 36.220 24.806 48.198 1.00 0.00 H new ATOM 0 HA GLU A 54 36.773 26.530 50.438 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.483 24.796 50.938 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.885 24.119 50.695 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.498 23.477 48.385 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.088 24.178 48.603 1.00 0.00 H new ATOM 834 N THR A 55 38.772 26.472 47.833 1.00 0.00 N ATOM 835 CA THR A 55 39.886 27.156 47.189 1.00 0.00 C ATOM 836 C THR A 55 39.468 27.747 45.848 1.00 0.00 C ATOM 837 O THR A 55 39.594 27.101 44.807 1.00 0.00 O ATOM 838 CB THR A 55 41.077 26.204 46.969 1.00 0.00 C ATOM 839 OG1 THR A 55 40.696 25.136 46.094 1.00 0.00 O ATOM 840 CG2 THR A 55 41.566 25.633 48.292 1.00 0.00 C ATOM 0 H THR A 55 38.306 25.780 47.246 1.00 0.00 H new ATOM 0 HA THR A 55 40.192 27.961 47.857 1.00 0.00 H new ATOM 0 HB THR A 55 41.889 26.773 46.515 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.201 25.500 45.330 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.407 24.964 48.111 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.883 26.447 48.944 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.758 25.079 48.770 1.00 0.00 H new ATOM 848 N LEU A 56 38.971 28.979 45.879 1.00 0.00 N ATOM 849 CA LEU A 56 38.535 29.659 44.665 1.00 0.00 C ATOM 850 C LEU A 56 39.261 30.990 44.495 1.00 0.00 C ATOM 851 O LEU A 56 39.592 31.388 43.379 1.00 0.00 O ATOM 852 CB LEU A 56 37.023 29.890 44.701 1.00 0.00 C ATOM 853 CG LEU A 56 36.479 30.923 43.714 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.965 30.623 42.305 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.958 30.954 43.760 1.00 0.00 C ATOM 0 H LEU A 56 38.860 29.527 46.732 1.00 0.00 H new ATOM 0 HA LEU A 56 38.779 29.023 43.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.526 28.939 44.512 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.747 30.199 45.709 1.00 0.00 H new ATOM 0 HG LEU A 56 36.852 31.905 44.003 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.568 31.369 41.617 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.054 30.652 42.282 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.622 29.633 42.005 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.588 31.695 43.051 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.566 29.972 43.496 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.630 31.218 44.765 1.00 0.00 H new ATOM 867 N GLN A 57 39.506 31.670 45.610 1.00 0.00 N ATOM 868 CA GLN A 57 40.194 32.956 45.584 1.00 0.00 C ATOM 869 C GLN A 57 41.487 32.865 44.780 1.00 0.00 C ATOM 870 O GLN A 57 42.057 31.789 44.594 1.00 0.00 O ATOM 871 CB GLN A 57 40.497 33.425 47.008 1.00 0.00 C ATOM 872 CG GLN A 57 40.993 32.316 47.921 1.00 0.00 C ATOM 873 CD GLN A 57 41.726 32.846 49.138 1.00 0.00 C ATOM 874 OE1 GLN A 57 42.143 34.004 49.170 1.00 0.00 O ATOM 875 NE2 GLN A 57 41.887 31.999 50.148 1.00 0.00 N ATOM 0 H GLN A 57 39.239 31.353 46.542 1.00 0.00 H new ATOM 0 HA GLN A 57 39.538 33.681 45.102 1.00 0.00 H new ATOM 0 HB2 GLN A 57 41.247 34.215 46.970 1.00 0.00 H new ATOM 0 HB3 GLN A 57 39.595 33.862 47.437 1.00 0.00 H new ATOM 0 HG2 GLN A 57 40.146 31.712 48.246 1.00 0.00 H new ATOM 0 HG3 GLN A 57 41.657 31.658 47.360 1.00 0.00 H new ATOM 0 HE21 GLN A 57 41.525 31.048 50.079 1.00 0.00 H new ATOM 0 HE22 GLN A 57 42.373 32.300 50.993 1.00 0.00 H new ATOM 884 N PRO A 58 41.962 34.019 44.290 1.00 0.00 N ATOM 885 CA PRO A 58 41.292 35.306 44.504 1.00 0.00 C ATOM 886 C PRO A 58 39.978 35.409 43.739 1.00 0.00 C ATOM 887 O PRO A 58 38.951 35.793 44.297 1.00 0.00 O ATOM 888 CB PRO A 58 42.303 36.325 43.972 1.00 0.00 C ATOM 889 CG PRO A 58 43.114 35.570 42.976 1.00 0.00 C ATOM 890 CD PRO A 58 43.190 34.158 43.490 1.00 0.00 C ATOM 0 HA PRO A 58 41.024 35.458 45.550 1.00 0.00 H new ATOM 0 HB2 PRO A 58 41.802 37.176 43.511 1.00 0.00 H new ATOM 0 HB3 PRO A 58 42.927 36.719 44.774 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.650 35.602 41.990 1.00 0.00 H new ATOM 0 HG3 PRO A 58 44.109 36.003 42.874 1.00 0.00 H new ATOM 0 HD2 PRO A 58 43.222 33.435 42.675 1.00 0.00 H new ATOM 0 HD3 PRO A 58 44.083 33.998 44.094 1.00 0.00 H new ATOM 898 N GLY A 59 40.016 35.062 42.456 1.00 0.00 N ATOM 899 CA GLY A 59 38.821 35.122 41.635 1.00 0.00 C ATOM 900 C GLY A 59 38.938 34.283 40.378 1.00 0.00 C ATOM 901 O GLY A 59 38.856 34.804 39.265 1.00 0.00 O ATOM 0 H GLY A 59 40.853 34.740 41.971 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.966 34.780 42.218 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.625 36.158 41.359 1.00 0.00 H new ATOM 905 N ASP A 60 39.132 32.981 40.554 1.00 0.00 N ATOM 906 CA ASP A 60 39.261 32.068 39.424 1.00 0.00 C ATOM 907 C ASP A 60 38.095 32.232 38.456 1.00 0.00 C ATOM 908 O ASP A 60 36.931 32.192 38.857 1.00 0.00 O ATOM 909 CB ASP A 60 39.332 30.621 39.916 1.00 0.00 C ATOM 910 CG ASP A 60 40.607 29.924 39.484 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.689 30.309 39.975 1.00 0.00 O ATOM 912 OD2 ASP A 60 40.523 28.993 38.657 1.00 0.00 O ATOM 0 H ASP A 60 39.203 32.534 41.468 1.00 0.00 H new ATOM 0 HA ASP A 60 40.184 32.311 38.897 1.00 0.00 H new ATOM 0 HB2 ASP A 60 39.264 30.607 41.004 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.473 30.069 39.536 1.00 0.00 H new ATOM 917 N ASP A 61 38.414 32.419 37.180 1.00 0.00 N ATOM 918 CA ASP A 61 37.392 32.590 36.153 1.00 0.00 C ATOM 919 C ASP A 61 36.367 31.462 36.214 1.00 0.00 C ATOM 920 O ASP A 61 36.703 30.320 36.526 1.00 0.00 O ATOM 921 CB ASP A 61 38.035 32.638 34.766 1.00 0.00 C ATOM 922 CG ASP A 61 38.806 33.921 34.530 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.380 34.456 35.501 1.00 0.00 O ATOM 924 OD2 ASP A 61 38.834 34.393 33.373 1.00 0.00 O ATOM 0 H ASP A 61 39.372 32.456 36.832 1.00 0.00 H new ATOM 0 HA ASP A 61 36.879 33.533 36.339 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.707 31.787 34.650 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.260 32.538 34.006 1.00 0.00 H new ATOM 929 N VAL A 62 35.114 31.790 35.913 1.00 0.00 N ATOM 930 CA VAL A 62 34.040 30.805 35.933 1.00 0.00 C ATOM 931 C VAL A 62 33.140 30.948 34.710 1.00 0.00 C ATOM 932 O VAL A 62 33.022 32.031 34.138 1.00 0.00 O ATOM 933 CB VAL A 62 33.182 30.936 37.206 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.993 30.562 38.437 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.626 32.347 37.331 1.00 0.00 C ATOM 0 H VAL A 62 34.818 32.731 35.652 1.00 0.00 H new ATOM 0 HA VAL A 62 34.511 29.822 35.921 1.00 0.00 H new ATOM 0 HB VAL A 62 32.342 30.245 37.130 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.371 30.661 39.326 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.337 29.532 38.347 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.854 31.226 38.521 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.023 32.421 38.236 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.449 33.059 37.384 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.007 32.572 36.462 1.00 0.00 H new ATOM 945 N GLU A 63 32.507 29.848 34.316 1.00 0.00 N ATOM 946 CA GLU A 63 31.618 29.852 33.160 1.00 0.00 C ATOM 947 C GLU A 63 30.193 29.489 33.569 1.00 0.00 C ATOM 948 O GLU A 63 29.979 28.776 34.549 1.00 0.00 O ATOM 949 CB GLU A 63 32.120 28.871 32.099 1.00 0.00 C ATOM 950 CG GLU A 63 31.370 28.963 30.781 1.00 0.00 C ATOM 951 CD GLU A 63 30.381 27.830 30.592 1.00 0.00 C ATOM 952 OE1 GLU A 63 30.768 26.662 30.803 1.00 0.00 O ATOM 953 OE2 GLU A 63 29.218 28.113 30.233 1.00 0.00 O ATOM 0 H GLU A 63 32.593 28.943 34.780 1.00 0.00 H new ATOM 0 HA GLU A 63 31.613 30.858 32.741 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.179 29.055 31.918 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.034 27.856 32.486 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.840 29.914 30.735 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.086 28.956 29.959 1.00 0.00 H new ATOM 960 N PHE A 64 29.221 29.987 32.811 1.00 0.00 N ATOM 961 CA PHE A 64 27.816 29.718 33.094 1.00 0.00 C ATOM 962 C PHE A 64 26.995 29.707 31.809 1.00 0.00 C ATOM 963 O PHE A 64 27.504 30.011 30.729 1.00 0.00 O ATOM 964 CB PHE A 64 27.259 30.765 34.061 1.00 0.00 C ATOM 965 CG PHE A 64 27.603 32.177 33.678 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.803 32.883 32.794 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.725 32.797 34.203 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.118 34.181 32.440 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.044 34.096 33.852 1.00 0.00 C ATOM 970 CZ PHE A 64 28.239 34.789 32.971 1.00 0.00 C ATOM 0 H PHE A 64 29.381 30.579 31.996 1.00 0.00 H new ATOM 0 HA PHE A 64 27.746 28.734 33.557 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.175 30.664 34.109 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.642 30.565 35.061 1.00 0.00 H new ATOM 0 HD1 PHE A 64 25.924 32.414 32.377 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.358 32.260 34.894 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.488 34.720 31.748 1.00 0.00 H new ATOM 0 HE2 PHE A 64 29.922 34.568 34.267 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.485 35.804 32.697 1.00 0.00 H new ATOM 980 N THR A 65 25.719 29.355 31.932 1.00 0.00 N ATOM 981 CA THR A 65 24.826 29.302 30.781 1.00 0.00 C ATOM 982 C THR A 65 23.506 30.006 31.076 1.00 0.00 C ATOM 983 O THR A 65 22.708 29.533 31.886 1.00 0.00 O ATOM 984 CB THR A 65 24.537 27.849 30.360 1.00 0.00 C ATOM 985 OG1 THR A 65 25.762 27.176 30.051 1.00 0.00 O ATOM 986 CG2 THR A 65 23.612 27.809 29.153 1.00 0.00 C ATOM 0 H THR A 65 25.281 29.102 32.818 1.00 0.00 H new ATOM 0 HA THR A 65 25.333 29.815 29.964 1.00 0.00 H new ATOM 0 HB THR A 65 24.045 27.344 31.191 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.570 26.252 29.786 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.422 26.772 28.874 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.669 28.296 29.401 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.081 28.329 28.318 1.00 0.00 H new ATOM 994 N ILE A 66 23.283 31.136 30.415 1.00 0.00 N ATOM 995 CA ILE A 66 22.058 31.903 30.606 1.00 0.00 C ATOM 996 C ILE A 66 20.863 31.196 29.976 1.00 0.00 C ATOM 997 O ILE A 66 20.901 30.809 28.808 1.00 0.00 O ATOM 998 CB ILE A 66 22.179 33.316 30.006 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.479 33.980 30.467 1.00 0.00 C ATOM 1000 CG2 ILE A 66 20.978 34.163 30.398 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.599 34.093 31.971 1.00 0.00 C ATOM 0 H ILE A 66 23.934 31.541 29.742 1.00 0.00 H new ATOM 0 HA ILE A 66 21.902 31.986 31.682 1.00 0.00 H new ATOM 0 HB ILE A 66 22.201 33.232 28.919 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.325 33.408 30.085 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.544 34.976 30.029 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.079 35.159 29.966 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.066 33.696 30.025 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.927 34.242 31.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.544 34.573 32.226 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.773 34.690 32.358 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.566 33.098 32.414 1.00 0.00 H new ATOM 1013 N LYS A 67 19.800 31.032 30.758 1.00 0.00 N ATOM 1014 CA LYS A 67 18.591 30.375 30.277 1.00 0.00 C ATOM 1015 C LYS A 67 17.486 31.393 30.013 1.00 0.00 C ATOM 1016 O LYS A 67 17.671 32.592 30.225 1.00 0.00 O ATOM 1017 CB LYS A 67 18.110 29.338 31.295 1.00 0.00 C ATOM 1018 CG LYS A 67 18.682 27.950 31.065 1.00 0.00 C ATOM 1019 CD LYS A 67 19.948 27.727 31.876 1.00 0.00 C ATOM 1020 CE LYS A 67 20.883 26.742 31.191 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.715 25.359 31.718 1.00 0.00 N ATOM 0 H LYS A 67 19.752 31.345 31.727 1.00 0.00 H new ATOM 0 HA LYS A 67 18.830 29.873 29.340 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.380 29.672 32.297 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.022 29.284 31.260 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.939 27.200 31.335 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.899 27.816 30.005 1.00 0.00 H new ATOM 0 HD2 LYS A 67 20.461 28.678 32.020 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.686 27.353 32.866 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.693 26.747 30.118 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.915 27.062 31.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.370 24.718 31.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 20.921 25.349 32.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.737 25.043 31.559 1.00 0.00 H new ATOM 1129 N VAL A 74 19.787 34.815 35.757 1.00 0.00 N ATOM 1130 CA VAL A 74 20.622 34.083 36.701 1.00 0.00 C ATOM 1131 C VAL A 74 21.382 32.958 36.006 1.00 0.00 C ATOM 1132 O VAL A 74 20.844 32.281 35.130 1.00 0.00 O ATOM 1133 CB VAL A 74 19.783 33.488 37.848 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.243 34.593 38.743 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.650 32.638 37.293 1.00 0.00 C ATOM 0 HA VAL A 74 21.334 34.798 37.114 1.00 0.00 H new ATOM 0 HB VAL A 74 20.426 32.847 38.451 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.653 34.154 39.547 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.074 35.156 39.168 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.614 35.262 38.156 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.067 32.225 38.117 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.006 33.255 36.666 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.064 31.824 36.698 1.00 0.00 H new ATOM 1145 N ALA A 75 22.635 32.765 36.402 1.00 0.00 N ATOM 1146 CA ALA A 75 23.468 31.721 35.819 1.00 0.00 C ATOM 1147 C ALA A 75 23.229 30.380 36.505 1.00 0.00 C ATOM 1148 O ALA A 75 23.240 30.288 37.733 1.00 0.00 O ATOM 1149 CB ALA A 75 24.937 32.106 35.909 1.00 0.00 C ATOM 0 H ALA A 75 23.096 33.318 37.124 1.00 0.00 H new ATOM 0 HA ALA A 75 23.194 31.617 34.769 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.547 31.317 35.470 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.103 33.037 35.367 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.215 32.240 36.955 1.00 0.00 H new ATOM 1155 N THR A 76 23.011 29.341 35.705 1.00 0.00 N ATOM 1156 CA THR A 76 22.766 28.006 36.235 1.00 0.00 C ATOM 1157 C THR A 76 23.915 27.062 35.899 1.00 0.00 C ATOM 1158 O THR A 76 24.506 27.146 34.821 1.00 0.00 O ATOM 1159 CB THR A 76 21.454 27.415 35.685 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.834 28.346 34.792 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.497 27.076 36.818 1.00 0.00 C ATOM 0 H THR A 76 22.999 29.399 34.687 1.00 0.00 H new ATOM 0 HA THR A 76 22.685 28.106 37.317 1.00 0.00 H new ATOM 0 HB THR A 76 21.692 26.498 35.145 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.864 28.339 34.934 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.578 26.660 36.406 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.961 26.345 37.480 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.266 27.980 37.382 1.00 0.00 H new ATOM 1169 N ASP A 77 24.228 26.164 36.826 1.00 0.00 N ATOM 1170 CA ASP A 77 25.306 25.203 36.628 1.00 0.00 C ATOM 1171 C ASP A 77 26.603 25.911 36.250 1.00 0.00 C ATOM 1172 O ASP A 77 27.038 25.861 35.099 1.00 0.00 O ATOM 1173 CB ASP A 77 24.926 24.195 35.541 1.00 0.00 C ATOM 1174 CG ASP A 77 25.772 22.938 35.595 1.00 0.00 C ATOM 1175 OD1 ASP A 77 25.522 22.092 36.479 1.00 0.00 O ATOM 1176 OD2 ASP A 77 26.683 22.801 34.753 1.00 0.00 O ATOM 0 H ASP A 77 23.750 26.082 37.723 1.00 0.00 H new ATOM 0 HA ASP A 77 25.463 24.672 37.567 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.875 23.927 35.650 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.036 24.662 34.562 1.00 0.00 H new ATOM 1181 N VAL A 78 27.217 26.571 37.227 1.00 0.00 N ATOM 1182 CA VAL A 78 28.464 27.290 36.998 1.00 0.00 C ATOM 1183 C VAL A 78 29.660 26.345 37.047 1.00 0.00 C ATOM 1184 O VAL A 78 29.822 25.582 37.999 1.00 0.00 O ATOM 1185 CB VAL A 78 28.666 28.410 38.036 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.998 29.110 37.815 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.516 29.403 37.978 1.00 0.00 C ATOM 0 H VAL A 78 26.871 26.622 38.185 1.00 0.00 H new ATOM 0 HA VAL A 78 28.395 27.734 36.005 1.00 0.00 H new ATOM 0 HB VAL A 78 28.680 27.962 39.030 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.123 29.898 38.558 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.809 28.388 37.912 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.018 29.546 36.816 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.675 30.187 38.718 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.468 29.847 36.983 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.579 28.888 38.191 1.00 0.00 H new ATOM 1197 N ARG A 79 30.495 26.403 36.015 1.00 0.00 N ATOM 1198 CA ARG A 79 31.677 25.552 35.939 1.00 0.00 C ATOM 1199 C ARG A 79 32.950 26.392 35.901 1.00 0.00 C ATOM 1200 O ARG A 79 33.107 27.262 35.043 1.00 0.00 O ATOM 1201 CB ARG A 79 31.607 24.655 34.702 1.00 0.00 C ATOM 1202 CG ARG A 79 30.499 23.616 34.764 1.00 0.00 C ATOM 1203 CD ARG A 79 30.874 22.456 35.674 1.00 0.00 C ATOM 1204 NE ARG A 79 31.532 21.378 34.942 1.00 0.00 N ATOM 1205 CZ ARG A 79 30.901 20.572 34.096 1.00 0.00 C ATOM 1206 NH1 ARG A 79 29.603 20.723 33.875 1.00 0.00 N ATOM 1207 NH2 ARG A 79 31.570 19.613 33.467 1.00 0.00 N ATOM 0 H ARG A 79 30.375 27.030 35.220 1.00 0.00 H new ATOM 0 HA ARG A 79 31.702 24.927 36.831 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.460 25.278 33.820 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.563 24.147 34.578 1.00 0.00 H new ATOM 0 HG2 ARG A 79 29.582 24.081 35.125 1.00 0.00 H new ATOM 0 HG3 ARG A 79 30.293 23.242 33.761 1.00 0.00 H new ATOM 0 HD2 ARG A 79 31.534 22.814 36.464 1.00 0.00 H new ATOM 0 HD3 ARG A 79 29.977 22.071 36.159 1.00 0.00 H new ATOM 0 HE ARG A 79 32.531 21.236 35.088 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.086 21.460 34.355 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.121 20.103 33.225 1.00 0.00 H new ATOM 0 HH21 ARG A 79 32.569 19.495 33.633 1.00 0.00 H new ATOM 0 HH22 ARG A 79 31.085 18.994 32.817 1.00 0.00 H new ATOM 1221 N LEU A 80 33.856 26.126 36.836 1.00 0.00 N ATOM 1222 CA LEU A 80 35.116 26.857 36.910 1.00 0.00 C ATOM 1223 C LEU A 80 35.855 26.805 35.576 1.00 0.00 C ATOM 1224 O LEU A 80 35.795 25.804 34.860 1.00 0.00 O ATOM 1225 CB LEU A 80 35.999 26.280 38.018 1.00 0.00 C ATOM 1226 CG LEU A 80 35.944 27.002 39.364 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.699 26.215 40.424 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.510 28.409 39.238 1.00 0.00 C ATOM 0 H LEU A 80 33.741 25.410 37.553 1.00 0.00 H new ATOM 0 HA LEU A 80 34.890 27.899 37.139 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.717 25.239 38.175 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.032 26.281 37.670 1.00 0.00 H new ATOM 0 HG LEU A 80 34.901 27.077 39.671 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.649 26.745 41.375 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.249 25.228 40.534 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.741 26.107 40.124 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.463 28.908 40.206 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.547 28.356 38.907 1.00 0.00 H new ATOM 0 HD23 LEU A 80 35.926 28.972 38.510 1.00 0.00 H new ATOM 1240 N LEU A 81 36.553 27.887 35.250 1.00 0.00 N ATOM 1241 CA LEU A 81 37.306 27.964 34.003 1.00 0.00 C ATOM 1242 C LEU A 81 38.768 27.591 34.227 1.00 0.00 C ATOM 1243 O LEU A 81 39.285 27.644 35.343 1.00 0.00 O ATOM 1244 CB LEU A 81 37.212 29.373 33.414 1.00 0.00 C ATOM 1245 CG LEU A 81 35.961 29.672 32.587 1.00 0.00 C ATOM 1246 CD1 LEU A 81 35.913 31.143 32.206 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.921 28.795 31.344 1.00 0.00 C ATOM 0 H LEU A 81 36.613 28.723 35.831 1.00 0.00 H new ATOM 0 HA LEU A 81 36.872 27.253 33.300 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.263 30.091 34.232 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.087 29.542 32.787 1.00 0.00 H new ATOM 0 HG LEU A 81 35.084 29.446 33.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.016 31.337 31.618 1.00 0.00 H new ATOM 0 HD12 LEU A 81 35.894 31.752 33.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 36.795 31.395 31.617 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.024 29.021 30.768 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.803 28.989 30.734 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.907 27.746 31.639 1.00 0.00 H new ATOM 1259 N PRO A 82 39.454 27.207 33.140 1.00 0.00 N ATOM 1260 CA PRO A 82 40.867 26.820 33.191 1.00 0.00 C ATOM 1261 C PRO A 82 41.783 28.007 33.469 1.00 0.00 C ATOM 1262 O PRO A 82 41.523 29.121 33.017 1.00 0.00 O ATOM 1263 CB PRO A 82 41.131 26.257 31.792 1.00 0.00 C ATOM 1264 CG PRO A 82 40.121 26.919 30.920 1.00 0.00 C ATOM 1265 CD PRO A 82 38.902 27.120 31.777 1.00 0.00 C ATOM 0 HA PRO A 82 41.067 26.112 33.995 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.146 26.479 31.461 1.00 0.00 H new ATOM 0 HB3 PRO A 82 41.020 25.173 31.774 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.495 27.871 30.544 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.890 26.302 30.052 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.363 28.027 31.503 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.201 26.291 31.679 1.00 0.00 H new