USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=10 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 Set 1.1: A 26 MET CE :methyl -161:sc= -1.15 (180deg=-1.52) USER MOD Set 1.2: A 46 TYR OH : rot 61:sc= 0.975 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0107 (180deg=-0.155) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.3) 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 63:sc= -0.0207 USER MOD Single : A 57 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.029) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.133 (180deg=-0.531) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.398 32.625 28.442 1.00 0.00 N ATOM 272 CA CYS A 19 29.004 33.825 29.009 1.00 0.00 C ATOM 273 C CYS A 19 29.900 33.474 30.192 1.00 0.00 C ATOM 274 O CYS A 19 29.457 32.845 31.152 1.00 0.00 O ATOM 275 CB CYS A 19 27.920 34.809 29.449 1.00 0.00 C ATOM 276 SG CYS A 19 27.600 36.135 28.262 1.00 0.00 S ATOM 0 HA CYS A 19 29.617 34.292 28.238 1.00 0.00 H new ATOM 0 HB2 CYS A 19 26.995 34.260 29.622 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.211 35.251 30.402 1.00 0.00 H new ATOM 0 HG CYS A 19 26.667 36.914 28.723 1.00 0.00 H new ATOM 282 N GLN A 20 31.162 33.883 30.114 1.00 0.00 N ATOM 283 CA GLN A 20 32.121 33.610 31.177 1.00 0.00 C ATOM 284 C GLN A 20 32.781 34.897 31.660 1.00 0.00 C ATOM 285 O GLN A 20 32.719 35.927 30.990 1.00 0.00 O ATOM 286 CB GLN A 20 33.188 32.627 30.691 1.00 0.00 C ATOM 287 CG GLN A 20 33.985 33.135 29.500 1.00 0.00 C ATOM 288 CD GLN A 20 33.720 32.338 28.238 1.00 0.00 C ATOM 289 OE1 GLN A 20 32.583 32.246 27.776 1.00 0.00 O ATOM 290 NE2 GLN A 20 34.772 31.758 27.673 1.00 0.00 N ATOM 0 H GLN A 20 31.544 34.405 29.325 1.00 0.00 H new ATOM 0 HA GLN A 20 31.581 33.165 32.013 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.873 32.412 31.511 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.708 31.686 30.422 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.739 34.182 29.323 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.049 33.093 29.735 1.00 0.00 H new ATOM 0 HE21 GLN A 20 35.697 31.861 28.091 1.00 0.00 H new ATOM 0 HE22 GLN A 20 34.656 31.209 26.821 1.00 0.00 H new ATOM 299 N GLY A 21 33.413 34.831 32.828 1.00 0.00 N ATOM 300 CA GLY A 21 34.075 35.998 33.381 1.00 0.00 C ATOM 301 C GLY A 21 34.886 35.673 34.619 1.00 0.00 C ATOM 302 O GLY A 21 35.341 34.543 34.793 1.00 0.00 O ATOM 0 H GLY A 21 33.478 33.990 33.401 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.730 36.432 32.625 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.328 36.753 33.628 1.00 0.00 H new ATOM 306 N VAL A 22 35.068 36.667 35.483 1.00 0.00 N ATOM 307 CA VAL A 22 35.830 36.481 36.712 1.00 0.00 C ATOM 308 C VAL A 22 34.981 36.798 37.938 1.00 0.00 C ATOM 309 O VAL A 22 34.347 37.850 38.013 1.00 0.00 O ATOM 310 CB VAL A 22 37.090 37.367 36.731 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.961 37.032 37.932 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.871 37.209 35.435 1.00 0.00 C ATOM 0 H VAL A 22 34.698 37.609 35.354 1.00 0.00 H new ATOM 0 HA VAL A 22 36.131 35.434 36.742 1.00 0.00 H new ATOM 0 HB VAL A 22 36.780 38.408 36.817 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.846 37.668 37.928 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.397 37.201 38.849 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.265 35.987 37.881 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.758 37.842 35.465 1.00 0.00 H new ATOM 0 HG22 VAL A 22 38.172 36.168 35.316 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.244 37.504 34.594 1.00 0.00 H new ATOM 322 N VAL A 23 34.974 35.880 38.900 1.00 0.00 N ATOM 323 CA VAL A 23 34.204 36.062 40.125 1.00 0.00 C ATOM 324 C VAL A 23 34.514 37.406 40.774 1.00 0.00 C ATOM 325 O VAL A 23 35.558 37.575 41.406 1.00 0.00 O ATOM 326 CB VAL A 23 34.488 34.937 41.138 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.691 35.155 42.415 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.172 33.579 40.528 1.00 0.00 C ATOM 0 H VAL A 23 35.493 35.003 38.854 1.00 0.00 H new ATOM 0 HA VAL A 23 33.151 36.032 39.845 1.00 0.00 H new ATOM 0 HB VAL A 23 35.548 34.959 41.391 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.904 34.351 43.119 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.971 36.110 42.860 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.626 35.161 42.183 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.378 32.796 41.257 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.120 33.543 40.245 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.791 33.424 39.644 1.00 0.00 H new ATOM 338 N CYS A 24 33.602 38.358 40.615 1.00 0.00 N ATOM 339 CA CYS A 24 33.778 39.688 41.186 1.00 0.00 C ATOM 340 C CYS A 24 33.422 39.695 42.669 1.00 0.00 C ATOM 341 O CYS A 24 34.258 40.008 43.516 1.00 0.00 O ATOM 342 CB CYS A 24 32.914 40.705 40.438 1.00 0.00 C ATOM 343 SG CYS A 24 33.366 42.428 40.749 1.00 0.00 S ATOM 0 H CYS A 24 32.733 38.234 40.095 1.00 0.00 H new ATOM 0 HA CYS A 24 34.827 39.965 41.081 1.00 0.00 H new ATOM 0 HB2 CYS A 24 32.985 40.509 39.368 1.00 0.00 H new ATOM 0 HB3 CYS A 24 31.872 40.557 40.720 1.00 0.00 H new ATOM 0 HG CYS A 24 32.581 43.212 40.071 1.00 0.00 H new ATOM 349 N ALA A 25 32.176 39.348 42.975 1.00 0.00 N ATOM 350 CA ALA A 25 31.710 39.314 44.356 1.00 0.00 C ATOM 351 C ALA A 25 31.974 37.952 44.990 1.00 0.00 C ATOM 352 O ALA A 25 31.776 36.914 44.359 1.00 0.00 O ATOM 353 CB ALA A 25 30.228 39.650 44.421 1.00 0.00 C ATOM 0 H ALA A 25 31.471 39.087 42.285 1.00 0.00 H new ATOM 0 HA ALA A 25 32.266 40.063 44.920 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.893 39.621 45.458 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.063 40.648 44.014 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.664 38.922 43.837 1.00 0.00 H new ATOM 359 N MET A 26 32.422 37.965 46.241 1.00 0.00 N ATOM 360 CA MET A 26 32.712 36.730 46.961 1.00 0.00 C ATOM 361 C MET A 26 32.044 36.730 48.332 1.00 0.00 C ATOM 362 O MET A 26 32.420 37.499 49.217 1.00 0.00 O ATOM 363 CB MET A 26 34.223 36.548 47.117 1.00 0.00 C ATOM 364 CG MET A 26 34.871 35.815 45.954 1.00 0.00 C ATOM 365 SD MET A 26 34.402 34.075 45.883 1.00 0.00 S ATOM 366 CE MET A 26 35.299 33.425 47.290 1.00 0.00 C ATOM 0 H MET A 26 32.592 38.816 46.777 1.00 0.00 H new ATOM 0 HA MET A 26 32.311 35.899 46.381 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.689 37.527 47.223 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.421 35.999 48.037 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.589 36.302 45.020 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.955 35.892 46.039 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.393 32.343 47.193 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.291 33.874 47.328 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.759 33.661 48.207 1.00 0.00 H new ATOM 376 N LYS A 27 31.052 35.863 48.502 1.00 0.00 N ATOM 377 CA LYS A 27 30.332 35.761 49.766 1.00 0.00 C ATOM 378 C LYS A 27 30.193 34.305 50.197 1.00 0.00 C ATOM 379 O LYS A 27 30.577 33.393 49.466 1.00 0.00 O ATOM 380 CB LYS A 27 28.947 36.401 49.640 1.00 0.00 C ATOM 381 CG LYS A 27 28.553 37.240 50.844 1.00 0.00 C ATOM 382 CD LYS A 27 27.053 37.199 51.084 1.00 0.00 C ATOM 383 CE LYS A 27 26.670 37.960 52.344 1.00 0.00 C ATOM 384 NZ LYS A 27 27.166 37.282 53.574 1.00 0.00 N ATOM 0 H LYS A 27 30.728 35.220 47.780 1.00 0.00 H new ATOM 0 HA LYS A 27 30.904 36.293 50.526 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.925 37.027 48.748 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.205 35.616 49.496 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.074 36.876 51.729 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.870 38.271 50.690 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.534 37.628 50.227 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.725 36.163 51.169 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.078 38.970 52.296 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.585 38.056 52.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.707 37.698 54.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.942 36.268 53.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.196 37.406 53.647 1.00 0.00 H new ATOM 398 N GLU A 28 29.640 34.095 51.388 1.00 0.00 N ATOM 399 CA GLU A 28 29.450 32.749 51.915 1.00 0.00 C ATOM 400 C GLU A 28 28.039 32.246 51.627 1.00 0.00 C ATOM 401 O GLU A 28 27.380 31.681 52.499 1.00 0.00 O ATOM 402 CB GLU A 28 29.714 32.726 53.422 1.00 0.00 C ATOM 403 CG GLU A 28 31.127 33.138 53.800 1.00 0.00 C ATOM 404 CD GLU A 28 31.254 33.513 55.264 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.221 33.845 55.882 1.00 0.00 O ATOM 406 OE2 GLU A 28 32.385 33.475 55.790 1.00 0.00 O ATOM 0 H GLU A 28 29.316 34.840 52.005 1.00 0.00 H new ATOM 0 HA GLU A 28 30.161 32.088 51.419 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.006 33.392 53.916 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.524 31.721 53.800 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.812 32.320 53.578 1.00 0.00 H new ATOM 0 HG3 GLU A 28 31.432 33.984 53.184 1.00 0.00 H new ATOM 413 N ALA A 29 27.582 32.456 50.397 1.00 0.00 N ATOM 414 CA ALA A 29 26.251 32.023 49.992 1.00 0.00 C ATOM 415 C ALA A 29 26.028 32.252 48.501 1.00 0.00 C ATOM 416 O ALA A 29 25.494 31.390 47.803 1.00 0.00 O ATOM 417 CB ALA A 29 25.189 32.750 50.804 1.00 0.00 C ATOM 0 H ALA A 29 28.115 32.924 49.664 1.00 0.00 H new ATOM 0 HA ALA A 29 26.171 30.953 50.184 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.200 32.417 50.491 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.327 32.531 51.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.278 33.824 50.641 1.00 0.00 H new ATOM 423 N PHE A 30 26.440 33.420 48.019 1.00 0.00 N ATOM 424 CA PHE A 30 26.284 33.764 46.610 1.00 0.00 C ATOM 425 C PHE A 30 27.323 34.797 46.184 1.00 0.00 C ATOM 426 O PHE A 30 28.025 35.367 47.018 1.00 0.00 O ATOM 427 CB PHE A 30 24.876 34.301 46.348 1.00 0.00 C ATOM 428 CG PHE A 30 24.471 35.405 47.282 1.00 0.00 C ATOM 429 CD1 PHE A 30 25.045 36.662 47.180 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.518 35.186 48.263 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.675 37.681 48.038 1.00 0.00 C ATOM 432 CE2 PHE A 30 23.143 36.201 49.124 1.00 0.00 C ATOM 433 CZ PHE A 30 23.724 37.449 49.012 1.00 0.00 C ATOM 0 H PHE A 30 26.884 34.144 48.583 1.00 0.00 H new ATOM 0 HA PHE A 30 26.435 32.859 46.021 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.820 34.665 45.322 1.00 0.00 H new ATOM 0 HB3 PHE A 30 24.162 33.482 46.435 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.790 36.848 46.421 1.00 0.00 H new ATOM 0 HD2 PHE A 30 23.063 34.211 48.357 1.00 0.00 H new ATOM 0 HE1 PHE A 30 25.129 38.657 47.947 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.397 36.018 49.883 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.435 38.242 49.685 1.00 0.00 H new ATOM 443 N GLY A 31 27.413 35.033 44.879 1.00 0.00 N ATOM 444 CA GLY A 31 28.368 35.997 44.364 1.00 0.00 C ATOM 445 C GLY A 31 27.999 36.497 42.981 1.00 0.00 C ATOM 446 O GLY A 31 26.879 36.286 42.516 1.00 0.00 O ATOM 0 H GLY A 31 26.842 34.574 44.169 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.430 36.843 45.048 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.357 35.541 44.330 1.00 0.00 H new ATOM 450 N PHE A 32 28.943 37.162 42.323 1.00 0.00 N ATOM 451 CA PHE A 32 28.710 37.697 40.986 1.00 0.00 C ATOM 452 C PHE A 32 29.903 37.421 40.076 1.00 0.00 C ATOM 453 O PHE A 32 30.930 36.907 40.519 1.00 0.00 O ATOM 454 CB PHE A 32 28.443 39.202 41.055 1.00 0.00 C ATOM 455 CG PHE A 32 27.082 39.545 41.589 1.00 0.00 C ATOM 456 CD1 PHE A 32 25.998 39.666 40.735 1.00 0.00 C ATOM 457 CD2 PHE A 32 26.886 39.746 42.946 1.00 0.00 C ATOM 458 CE1 PHE A 32 24.745 39.983 41.224 1.00 0.00 C ATOM 459 CE2 PHE A 32 25.635 40.063 43.441 1.00 0.00 C ATOM 460 CZ PHE A 32 24.563 40.180 42.579 1.00 0.00 C ATOM 0 H PHE A 32 29.876 37.343 42.693 1.00 0.00 H new ATOM 0 HA PHE A 32 27.834 37.199 40.569 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.200 39.669 41.685 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.551 39.628 40.058 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.134 39.511 39.675 1.00 0.00 H new ATOM 0 HD2 PHE A 32 27.721 39.654 43.625 1.00 0.00 H new ATOM 0 HE1 PHE A 32 23.909 40.077 40.547 1.00 0.00 H new ATOM 0 HE2 PHE A 32 25.496 40.219 44.501 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.584 40.425 42.963 1.00 0.00 H new ATOM 470 N ILE A 33 29.758 37.767 38.801 1.00 0.00 N ATOM 471 CA ILE A 33 30.823 37.558 37.828 1.00 0.00 C ATOM 472 C ILE A 33 30.985 38.773 36.921 1.00 0.00 C ATOM 473 O ILE A 33 30.014 39.265 36.348 1.00 0.00 O ATOM 474 CB ILE A 33 30.556 36.315 36.959 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.416 35.071 37.839 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.672 36.129 35.942 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.754 33.905 37.137 1.00 0.00 C ATOM 0 H ILE A 33 28.914 38.193 38.418 1.00 0.00 H new ATOM 0 HA ILE A 33 31.742 37.405 38.394 1.00 0.00 H new ATOM 0 HB ILE A 33 29.621 36.462 36.419 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.405 34.765 38.181 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.837 35.327 38.726 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.468 35.246 35.336 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.727 37.007 35.298 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.621 36.001 36.463 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.688 33.059 37.821 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.752 34.193 36.819 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.344 33.622 36.265 1.00 0.00 H new ATOM 489 N GLU A 34 32.220 39.250 36.794 1.00 0.00 N ATOM 490 CA GLU A 34 32.509 40.407 35.956 1.00 0.00 C ATOM 491 C GLU A 34 32.514 40.021 34.479 1.00 0.00 C ATOM 492 O GLU A 34 33.282 39.157 34.055 1.00 0.00 O ATOM 493 CB GLU A 34 33.858 41.018 36.339 1.00 0.00 C ATOM 494 CG GLU A 34 33.764 42.463 36.798 1.00 0.00 C ATOM 495 CD GLU A 34 33.679 43.439 35.641 1.00 0.00 C ATOM 496 OE1 GLU A 34 34.670 43.557 34.890 1.00 0.00 O ATOM 497 OE2 GLU A 34 32.621 44.085 35.486 1.00 0.00 O ATOM 0 H GLU A 34 33.035 38.853 37.261 1.00 0.00 H new ATOM 0 HA GLU A 34 31.725 41.146 36.118 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.305 40.421 37.134 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.529 40.961 35.482 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.887 42.582 37.434 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.635 42.704 37.408 1.00 0.00 H new ATOM 601 N GLU A 41 25.647 41.527 33.641 1.00 0.00 N ATOM 602 CA GLU A 41 26.048 40.718 34.785 1.00 0.00 C ATOM 603 C GLU A 41 24.977 39.685 35.124 1.00 0.00 C ATOM 604 O GLU A 41 23.839 39.782 34.663 1.00 0.00 O ATOM 605 CB GLU A 41 26.315 41.609 36.000 1.00 0.00 C ATOM 606 CG GLU A 41 25.103 42.409 36.446 1.00 0.00 C ATOM 607 CD GLU A 41 24.959 43.718 35.694 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.815 44.607 35.881 1.00 0.00 O ATOM 609 OE2 GLU A 41 23.990 43.852 34.918 1.00 0.00 O ATOM 0 HA GLU A 41 26.965 40.192 34.521 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.654 40.987 36.828 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.127 42.297 35.764 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.204 41.810 36.301 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.181 42.614 37.514 1.00 0.00 H new ATOM 616 N ILE A 42 25.350 38.697 35.930 1.00 0.00 N ATOM 617 CA ILE A 42 24.422 37.647 36.330 1.00 0.00 C ATOM 618 C ILE A 42 24.617 37.270 37.795 1.00 0.00 C ATOM 619 O ILE A 42 25.611 37.645 38.416 1.00 0.00 O ATOM 620 CB ILE A 42 24.589 36.386 35.461 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.758 35.540 35.970 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.802 36.772 34.005 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.064 36.300 36.049 1.00 0.00 C ATOM 0 H ILE A 42 26.288 38.602 36.319 1.00 0.00 H new ATOM 0 HA ILE A 42 23.417 38.044 36.190 1.00 0.00 H new ATOM 0 HB ILE A 42 23.678 35.791 35.530 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.512 35.152 36.959 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.887 34.680 35.313 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.918 35.871 33.403 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.941 37.338 33.649 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.699 37.385 33.919 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.848 35.639 36.417 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.333 36.665 35.058 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.953 37.145 36.729 1.00 0.00 H new ATOM 635 N PHE A 43 23.662 36.524 38.341 1.00 0.00 N ATOM 636 CA PHE A 43 23.728 36.095 39.733 1.00 0.00 C ATOM 637 C PHE A 43 23.759 34.573 39.832 1.00 0.00 C ATOM 638 O PHE A 43 22.893 33.886 39.288 1.00 0.00 O ATOM 639 CB PHE A 43 22.534 36.644 40.515 1.00 0.00 C ATOM 640 CG PHE A 43 22.461 36.142 41.929 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.805 34.958 42.225 1.00 0.00 C ATOM 642 CD2 PHE A 43 23.049 36.854 42.962 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.737 34.493 43.525 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.985 36.393 44.264 1.00 0.00 C ATOM 645 CZ PHE A 43 22.327 35.212 44.545 1.00 0.00 C ATOM 0 H PHE A 43 22.833 36.204 37.840 1.00 0.00 H new ATOM 0 HA PHE A 43 24.648 36.488 40.165 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.587 37.733 40.527 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.615 36.375 39.995 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.341 34.392 41.431 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.563 37.779 42.748 1.00 0.00 H new ATOM 0 HE1 PHE A 43 21.223 33.568 43.742 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.449 36.956 45.060 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.274 34.851 45.562 1.00 0.00 H new ATOM 655 N PHE A 44 24.763 34.051 40.529 1.00 0.00 N ATOM 656 CA PHE A 44 24.909 32.610 40.698 1.00 0.00 C ATOM 657 C PHE A 44 24.976 32.241 42.177 1.00 0.00 C ATOM 658 O PHE A 44 25.531 32.982 42.989 1.00 0.00 O ATOM 659 CB PHE A 44 26.165 32.115 39.979 1.00 0.00 C ATOM 660 CG PHE A 44 27.442 32.497 40.673 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.982 33.763 40.511 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.103 31.590 41.485 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.156 34.118 41.148 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.277 31.939 42.124 1.00 0.00 C ATOM 665 CZ PHE A 44 29.805 33.204 41.955 1.00 0.00 C ATOM 0 H PHE A 44 25.488 34.605 40.986 1.00 0.00 H new ATOM 0 HA PHE A 44 24.035 32.127 40.260 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.119 31.030 39.890 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.177 32.517 38.966 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.479 34.481 39.879 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.696 30.599 41.620 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.565 35.109 41.015 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.782 31.223 42.756 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.723 33.478 42.453 1.00 0.00 H new ATOM 675 N HIS A 45 24.407 31.090 42.520 1.00 0.00 N ATOM 676 CA HIS A 45 24.402 30.620 43.901 1.00 0.00 C ATOM 677 C HIS A 45 25.476 29.559 44.118 1.00 0.00 C ATOM 678 O HIS A 45 25.809 28.802 43.205 1.00 0.00 O ATOM 679 CB HIS A 45 23.029 30.056 44.265 1.00 0.00 C ATOM 680 CG HIS A 45 22.577 30.422 45.646 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.959 29.724 46.772 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.773 31.421 46.078 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.407 30.277 47.838 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.683 31.309 47.444 1.00 0.00 N ATOM 0 H HIS A 45 23.943 30.465 41.861 1.00 0.00 H new ATOM 0 HA HIS A 45 24.620 31.469 44.549 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.295 30.416 43.544 1.00 0.00 H new ATOM 0 HB3 HIS A 45 23.057 28.970 44.177 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.292 32.167 45.463 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.527 29.942 48.858 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.144 31.923 48.055 1.00 0.00 H new ATOM 692 N TYR A 46 26.015 29.508 45.331 1.00 0.00 N ATOM 693 CA TYR A 46 27.053 28.541 45.667 1.00 0.00 C ATOM 694 C TYR A 46 26.547 27.114 45.486 1.00 0.00 C ATOM 695 O TYR A 46 27.325 26.196 45.224 1.00 0.00 O ATOM 696 CB TYR A 46 27.526 28.748 47.107 1.00 0.00 C ATOM 697 CG TYR A 46 28.724 29.662 47.226 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.603 31.030 47.015 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.978 29.158 47.550 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.696 31.869 47.121 1.00 0.00 C ATOM 701 CE2 TYR A 46 31.076 29.989 47.661 1.00 0.00 C ATOM 702 CZ TYR A 46 30.930 31.343 47.445 1.00 0.00 C ATOM 703 OH TYR A 46 32.020 32.175 47.553 1.00 0.00 O ATOM 0 H TYR A 46 25.750 30.125 46.098 1.00 0.00 H new ATOM 0 HA TYR A 46 27.893 28.698 44.990 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.705 29.160 47.694 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.774 27.780 47.542 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.638 31.445 46.764 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.096 28.098 47.718 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.585 32.930 46.951 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.043 29.581 47.915 1.00 0.00 H new ATOM 0 HH TYR A 46 31.857 32.838 48.256 1.00 0.00 H new ATOM 713 N SER A 47 25.238 26.934 45.627 1.00 0.00 N ATOM 714 CA SER A 47 24.626 25.619 45.482 1.00 0.00 C ATOM 715 C SER A 47 24.759 25.113 44.049 1.00 0.00 C ATOM 716 O SER A 47 24.997 23.928 43.818 1.00 0.00 O ATOM 717 CB SER A 47 23.150 25.672 45.882 1.00 0.00 C ATOM 718 OG SER A 47 22.661 24.380 46.199 1.00 0.00 O ATOM 0 H SER A 47 24.580 27.683 45.842 1.00 0.00 H new ATOM 0 HA SER A 47 25.149 24.928 46.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.026 26.332 46.741 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.564 26.096 45.067 1.00 0.00 H new ATOM 0 HG SER A 47 21.716 24.441 46.453 1.00 0.00 H new ATOM 724 N GLU A 48 24.601 26.020 43.091 1.00 0.00 N ATOM 725 CA GLU A 48 24.702 25.666 41.680 1.00 0.00 C ATOM 726 C GLU A 48 26.162 25.554 41.250 1.00 0.00 C ATOM 727 O GLU A 48 26.489 24.837 40.304 1.00 0.00 O ATOM 728 CB GLU A 48 23.984 26.706 40.817 1.00 0.00 C ATOM 729 CG GLU A 48 22.495 26.443 40.661 1.00 0.00 C ATOM 730 CD GLU A 48 22.203 25.080 40.063 1.00 0.00 C ATOM 731 OE1 GLU A 48 23.056 24.568 39.308 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.122 24.526 40.352 1.00 0.00 O ATOM 0 H GLU A 48 24.403 27.005 43.266 1.00 0.00 H new ATOM 0 HA GLU A 48 24.224 24.696 41.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.126 27.693 41.258 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.446 26.729 39.830 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.012 26.519 41.635 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.058 27.215 40.028 1.00 0.00 H new ATOM 739 N PHE A 49 27.036 26.270 41.951 1.00 0.00 N ATOM 740 CA PHE A 49 28.461 26.253 41.642 1.00 0.00 C ATOM 741 C PHE A 49 28.985 24.821 41.573 1.00 0.00 C ATOM 742 O PHE A 49 28.747 24.016 42.474 1.00 0.00 O ATOM 743 CB PHE A 49 29.242 27.044 42.693 1.00 0.00 C ATOM 744 CG PHE A 49 30.732 26.919 42.553 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.396 27.533 41.503 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.468 26.188 43.470 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.767 27.419 41.372 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.840 26.070 43.344 1.00 0.00 C ATOM 749 CZ PHE A 49 33.490 26.688 42.294 1.00 0.00 C ATOM 0 H PHE A 49 26.782 26.869 42.737 1.00 0.00 H new ATOM 0 HA PHE A 49 28.602 26.720 40.667 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.966 28.096 42.624 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.948 26.702 43.686 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.836 28.107 40.779 1.00 0.00 H new ATOM 0 HD2 PHE A 49 30.964 25.704 44.294 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.273 27.901 40.549 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.402 25.496 44.065 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.562 26.600 42.194 1.00 0.00 H new ATOM 759 N LYS A 50 29.701 24.511 40.498 1.00 0.00 N ATOM 760 CA LYS A 50 30.261 23.178 40.309 1.00 0.00 C ATOM 761 C LYS A 50 31.785 23.229 40.269 1.00 0.00 C ATOM 762 O LYS A 50 32.390 23.172 39.199 1.00 0.00 O ATOM 763 CB LYS A 50 29.727 22.556 39.017 1.00 0.00 C ATOM 764 CG LYS A 50 28.225 22.708 38.845 1.00 0.00 C ATOM 765 CD LYS A 50 27.463 22.028 39.970 1.00 0.00 C ATOM 766 CE LYS A 50 27.568 20.514 39.879 1.00 0.00 C ATOM 767 NZ LYS A 50 26.234 19.875 39.704 1.00 0.00 N ATOM 0 H LYS A 50 29.907 25.165 39.743 1.00 0.00 H new ATOM 0 HA LYS A 50 29.957 22.561 41.154 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.230 23.016 38.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 29.981 21.496 39.002 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.966 23.767 38.817 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.922 22.281 37.889 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.854 22.364 40.930 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.415 22.324 39.932 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.212 20.244 39.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.040 20.128 40.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.348 18.843 39.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.627 20.111 40.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.794 20.224 38.829 1.00 0.00 H new ATOM 781 N GLY A 51 32.401 23.335 41.442 1.00 0.00 N ATOM 782 CA GLY A 51 33.849 23.391 41.518 1.00 0.00 C ATOM 783 C GLY A 51 34.362 23.241 42.937 1.00 0.00 C ATOM 784 O GLY A 51 33.810 22.474 43.726 1.00 0.00 O ATOM 0 H GLY A 51 31.923 23.383 42.342 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.273 22.602 40.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.195 24.340 41.108 1.00 0.00 H new ATOM 788 N ASP A 52 35.421 23.973 43.261 1.00 0.00 N ATOM 789 CA ASP A 52 36.009 23.918 44.595 1.00 0.00 C ATOM 790 C ASP A 52 35.361 24.946 45.517 1.00 0.00 C ATOM 791 O ASP A 52 35.488 26.153 45.306 1.00 0.00 O ATOM 792 CB ASP A 52 37.518 24.160 44.521 1.00 0.00 C ATOM 793 CG ASP A 52 38.215 23.188 43.590 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.874 21.987 43.623 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.102 23.628 42.828 1.00 0.00 O ATOM 0 H ASP A 52 35.890 24.612 42.619 1.00 0.00 H new ATOM 0 HA ASP A 52 35.828 22.924 45.004 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.703 25.179 44.182 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.946 24.073 45.519 1.00 0.00 H new ATOM 800 N LEU A 53 34.667 24.460 46.540 1.00 0.00 N ATOM 801 CA LEU A 53 33.997 25.336 47.495 1.00 0.00 C ATOM 802 C LEU A 53 34.966 25.805 48.576 1.00 0.00 C ATOM 803 O LEU A 53 34.768 26.855 49.187 1.00 0.00 O ATOM 804 CB LEU A 53 32.812 24.613 48.137 1.00 0.00 C ATOM 805 CG LEU A 53 31.530 25.433 48.294 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.802 26.701 49.088 1.00 0.00 C ATOM 807 CD2 LEU A 53 30.943 25.770 46.931 1.00 0.00 C ATOM 0 H LEU A 53 34.553 23.464 46.730 1.00 0.00 H new ATOM 0 HA LEU A 53 33.632 26.210 46.955 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.584 23.730 47.540 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.117 24.261 49.122 1.00 0.00 H new ATOM 0 HG LEU A 53 30.803 24.835 48.843 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.879 27.272 49.190 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.177 26.438 50.077 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.546 27.304 48.567 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.032 26.353 47.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.666 26.350 46.357 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.711 24.849 46.397 1.00 0.00 H new ATOM 819 N GLU A 54 36.016 25.021 48.803 1.00 0.00 N ATOM 820 CA GLU A 54 37.016 25.358 49.809 1.00 0.00 C ATOM 821 C GLU A 54 38.133 26.204 49.204 1.00 0.00 C ATOM 822 O GLU A 54 38.632 27.138 49.833 1.00 0.00 O ATOM 823 CB GLU A 54 37.602 24.086 50.424 1.00 0.00 C ATOM 824 CG GLU A 54 38.305 23.191 49.418 1.00 0.00 C ATOM 825 CD GLU A 54 38.703 21.851 50.006 1.00 0.00 C ATOM 826 OE1 GLU A 54 39.700 21.805 50.757 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.017 20.849 49.715 1.00 0.00 O ATOM 0 H GLU A 54 36.196 24.149 48.304 1.00 0.00 H new ATOM 0 HA GLU A 54 36.526 25.939 50.591 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.308 24.363 51.207 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.801 23.522 50.902 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.650 23.028 48.563 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.195 23.699 49.045 1.00 0.00 H new ATOM 834 N THR A 55 38.521 25.870 47.977 1.00 0.00 N ATOM 835 CA THR A 55 39.580 26.596 47.286 1.00 0.00 C ATOM 836 C THR A 55 39.024 27.391 46.110 1.00 0.00 C ATOM 837 O THR A 55 38.968 26.896 44.984 1.00 0.00 O ATOM 838 CB THR A 55 40.674 25.642 46.774 1.00 0.00 C ATOM 839 OG1 THR A 55 40.119 24.723 45.827 1.00 0.00 O ATOM 840 CG2 THR A 55 41.303 24.872 47.926 1.00 0.00 C ATOM 0 H THR A 55 38.118 25.101 47.441 1.00 0.00 H new ATOM 0 HA THR A 55 40.018 27.282 48.011 1.00 0.00 H new ATOM 0 HB THR A 55 41.448 26.238 46.290 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.779 25.217 45.052 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.073 24.204 47.540 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.750 25.573 48.631 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.537 24.286 48.434 1.00 0.00 H new ATOM 848 N LEU A 56 38.614 28.626 46.378 1.00 0.00 N ATOM 849 CA LEU A 56 38.063 29.491 45.341 1.00 0.00 C ATOM 850 C LEU A 56 38.310 30.960 45.668 1.00 0.00 C ATOM 851 O LEU A 56 37.417 31.657 46.150 1.00 0.00 O ATOM 852 CB LEU A 56 36.563 29.238 45.182 1.00 0.00 C ATOM 853 CG LEU A 56 35.838 30.115 44.160 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.275 29.760 42.747 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.330 29.970 44.306 1.00 0.00 C ATOM 0 H LEU A 56 38.653 29.051 47.305 1.00 0.00 H new ATOM 0 HA LEU A 56 38.567 29.257 44.403 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.419 28.194 44.902 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.087 29.377 46.153 1.00 0.00 H new ATOM 0 HG LEU A 56 36.103 31.155 44.350 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.749 30.394 42.033 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.349 29.916 42.648 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.041 28.715 42.545 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.831 30.601 43.571 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.047 28.930 44.143 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.031 30.275 45.309 1.00 0.00 H new ATOM 867 N GLN A 57 39.527 31.424 45.402 1.00 0.00 N ATOM 868 CA GLN A 57 39.891 32.811 45.667 1.00 0.00 C ATOM 869 C GLN A 57 41.142 33.204 44.888 1.00 0.00 C ATOM 870 O GLN A 57 41.909 32.357 44.430 1.00 0.00 O ATOM 871 CB GLN A 57 40.120 33.022 47.165 1.00 0.00 C ATOM 872 CG GLN A 57 38.948 33.683 47.872 1.00 0.00 C ATOM 873 CD GLN A 57 39.388 34.686 48.919 1.00 0.00 C ATOM 874 OE1 GLN A 57 38.970 35.844 48.901 1.00 0.00 O ATOM 875 NE2 GLN A 57 40.237 34.246 49.841 1.00 0.00 N ATOM 0 H GLN A 57 40.277 30.860 45.003 1.00 0.00 H new ATOM 0 HA GLN A 57 39.068 33.446 45.339 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.319 32.058 47.633 1.00 0.00 H new ATOM 0 HB3 GLN A 57 41.011 33.635 47.305 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.320 34.184 47.135 1.00 0.00 H new ATOM 0 HG3 GLN A 57 38.334 32.916 48.344 1.00 0.00 H new ATOM 0 HE21 GLN A 57 40.558 33.278 49.818 1.00 0.00 H new ATOM 0 HE22 GLN A 57 40.568 34.876 50.572 1.00 0.00 H new ATOM 884 N PRO A 58 41.354 34.519 44.734 1.00 0.00 N ATOM 885 CA PRO A 58 40.448 35.536 45.275 1.00 0.00 C ATOM 886 C PRO A 58 39.109 35.567 44.544 1.00 0.00 C ATOM 887 O PRO A 58 38.133 36.127 45.041 1.00 0.00 O ATOM 888 CB PRO A 58 41.209 36.845 45.051 1.00 0.00 C ATOM 889 CG PRO A 58 42.115 36.565 43.902 1.00 0.00 C ATOM 890 CD PRO A 58 42.496 35.115 44.019 1.00 0.00 C ATOM 0 HA PRO A 58 40.198 35.345 46.319 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.528 37.666 44.827 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.773 37.132 45.939 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.615 36.762 42.954 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.997 37.204 43.936 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.641 34.657 43.040 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.427 34.987 44.571 1.00 0.00 H new ATOM 898 N GLY A 59 39.072 34.961 43.361 1.00 0.00 N ATOM 899 CA GLY A 59 37.848 34.930 42.582 1.00 0.00 C ATOM 900 C GLY A 59 37.890 33.895 41.476 1.00 0.00 C ATOM 901 O GLY A 59 36.939 33.135 41.291 1.00 0.00 O ATOM 0 H GLY A 59 39.867 34.491 42.929 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.007 34.718 43.242 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.673 35.914 42.148 1.00 0.00 H new ATOM 905 N ASP A 60 38.994 33.865 40.738 1.00 0.00 N ATOM 906 CA ASP A 60 39.157 32.915 39.643 1.00 0.00 C ATOM 907 C ASP A 60 38.104 33.145 38.563 1.00 0.00 C ATOM 908 O ASP A 60 37.129 33.867 38.776 1.00 0.00 O ATOM 909 CB ASP A 60 39.063 31.481 40.166 1.00 0.00 C ATOM 910 CG ASP A 60 39.971 31.238 41.356 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.204 31.198 41.164 1.00 0.00 O ATOM 912 OD2 ASP A 60 39.448 31.089 42.480 1.00 0.00 O ATOM 0 H ASP A 60 39.790 34.488 40.878 1.00 0.00 H new ATOM 0 HA ASP A 60 40.142 33.070 39.204 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.032 31.268 40.450 1.00 0.00 H new ATOM 0 HB3 ASP A 60 39.324 30.788 39.366 1.00 0.00 H new ATOM 917 N ASP A 61 38.309 32.529 37.404 1.00 0.00 N ATOM 918 CA ASP A 61 37.378 32.667 36.291 1.00 0.00 C ATOM 919 C ASP A 61 36.332 31.556 36.316 1.00 0.00 C ATOM 920 O ASP A 61 36.621 30.426 36.709 1.00 0.00 O ATOM 921 CB ASP A 61 38.133 32.643 34.961 1.00 0.00 C ATOM 922 CG ASP A 61 39.153 33.759 34.854 1.00 0.00 C ATOM 923 OD1 ASP A 61 40.160 33.716 35.591 1.00 0.00 O ATOM 924 OD2 ASP A 61 38.943 34.676 34.032 1.00 0.00 O ATOM 0 H ASP A 61 39.111 31.930 37.211 1.00 0.00 H new ATOM 0 HA ASP A 61 36.867 33.625 36.393 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.637 31.683 34.850 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.420 32.726 34.140 1.00 0.00 H new ATOM 929 N VAL A 62 35.115 31.887 35.896 1.00 0.00 N ATOM 930 CA VAL A 62 34.026 30.918 35.870 1.00 0.00 C ATOM 931 C VAL A 62 33.226 31.024 34.577 1.00 0.00 C ATOM 932 O VAL A 62 33.270 32.045 33.891 1.00 0.00 O ATOM 933 CB VAL A 62 33.075 31.111 37.066 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.723 30.615 38.350 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.670 32.572 37.194 1.00 0.00 C ATOM 0 H VAL A 62 34.859 32.819 35.569 1.00 0.00 H new ATOM 0 HA VAL A 62 34.481 29.929 35.932 1.00 0.00 H new ATOM 0 HB VAL A 62 32.175 30.522 36.891 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.036 30.760 39.184 1.00 0.00 H new ATOM 0 HG12 VAL A 62 33.958 29.555 38.253 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.640 31.174 38.534 1.00 0.00 H new ATOM 0 HG21 VAL A 62 31.998 32.690 38.044 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.559 33.184 37.346 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.162 32.890 36.283 1.00 0.00 H new ATOM 945 N GLU A 63 32.496 29.962 34.250 1.00 0.00 N ATOM 946 CA GLU A 63 31.686 29.936 33.037 1.00 0.00 C ATOM 947 C GLU A 63 30.250 29.528 33.351 1.00 0.00 C ATOM 948 O GLU A 63 29.997 28.787 34.301 1.00 0.00 O ATOM 949 CB GLU A 63 32.290 28.972 32.014 1.00 0.00 C ATOM 950 CG GLU A 63 31.595 29.004 30.664 1.00 0.00 C ATOM 951 CD GLU A 63 30.566 27.900 30.512 1.00 0.00 C ATOM 952 OE1 GLU A 63 30.946 26.716 30.631 1.00 0.00 O ATOM 953 OE2 GLU A 63 29.383 28.219 30.274 1.00 0.00 O ATOM 0 H GLU A 63 32.449 29.109 34.807 1.00 0.00 H new ATOM 0 HA GLU A 63 31.676 30.941 32.616 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.344 29.215 31.877 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.246 27.958 32.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.108 29.970 30.533 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.340 28.913 29.874 1.00 0.00 H new ATOM 960 N PHE A 64 29.312 30.016 32.546 1.00 0.00 N ATOM 961 CA PHE A 64 27.901 29.704 32.737 1.00 0.00 C ATOM 962 C PHE A 64 27.128 29.854 31.430 1.00 0.00 C ATOM 963 O PHE A 64 27.667 30.324 30.427 1.00 0.00 O ATOM 964 CB PHE A 64 27.296 30.615 33.808 1.00 0.00 C ATOM 965 CG PHE A 64 27.503 32.078 33.537 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.655 32.765 32.684 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.546 32.766 34.136 1.00 0.00 C ATOM 968 CE1 PHE A 64 26.842 34.111 32.433 1.00 0.00 C ATOM 969 CE2 PHE A 64 28.738 34.112 33.889 1.00 0.00 C ATOM 970 CZ PHE A 64 27.886 34.785 33.035 1.00 0.00 C ATOM 0 H PHE A 64 29.504 30.630 31.754 1.00 0.00 H new ATOM 0 HA PHE A 64 27.825 28.668 33.066 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.227 30.415 33.882 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.735 30.367 34.775 1.00 0.00 H new ATOM 0 HD1 PHE A 64 25.838 32.242 32.209 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.216 32.245 34.803 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.173 34.635 31.767 1.00 0.00 H new ATOM 0 HE2 PHE A 64 29.554 34.637 34.363 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.036 35.836 32.839 1.00 0.00 H new ATOM 980 N THR A 65 25.862 29.451 31.448 1.00 0.00 N ATOM 981 CA THR A 65 25.015 29.538 30.265 1.00 0.00 C ATOM 982 C THR A 65 23.679 30.196 30.593 1.00 0.00 C ATOM 983 O THR A 65 22.981 29.778 31.517 1.00 0.00 O ATOM 984 CB THR A 65 24.754 28.147 29.657 1.00 0.00 C ATOM 985 OG1 THR A 65 25.972 27.396 29.611 1.00 0.00 O ATOM 986 CG2 THR A 65 24.174 28.269 28.256 1.00 0.00 C ATOM 0 H THR A 65 25.400 29.061 32.269 1.00 0.00 H new ATOM 0 HA THR A 65 25.549 30.149 29.538 1.00 0.00 H new ATOM 0 HB THR A 65 24.032 27.629 30.288 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.797 26.512 29.225 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.998 27.274 27.847 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.232 28.816 28.299 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.876 28.805 27.617 1.00 0.00 H new ATOM 994 N ILE A 66 23.329 31.226 29.830 1.00 0.00 N ATOM 995 CA ILE A 66 22.076 31.939 30.039 1.00 0.00 C ATOM 996 C ILE A 66 20.986 31.421 29.107 1.00 0.00 C ATOM 997 O ILE A 66 21.124 31.468 27.885 1.00 0.00 O ATOM 998 CB ILE A 66 22.246 33.454 29.818 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.461 33.971 30.591 1.00 0.00 C ATOM 1000 CG2 ILE A 66 20.988 34.196 30.241 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.380 33.721 32.081 1.00 0.00 C ATOM 0 H ILE A 66 23.896 31.585 29.062 1.00 0.00 H new ATOM 0 HA ILE A 66 21.782 31.761 31.073 1.00 0.00 H new ATOM 0 HB ILE A 66 22.411 33.635 28.756 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.360 33.495 30.199 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.565 35.042 30.415 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.124 35.265 30.079 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.142 33.844 29.650 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.795 34.011 31.298 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.274 34.113 32.565 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.500 34.220 32.486 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.308 32.649 32.267 1.00 0.00 H new ATOM 1013 N LYS A 67 19.900 30.927 29.693 1.00 0.00 N ATOM 1014 CA LYS A 67 18.783 30.402 28.916 1.00 0.00 C ATOM 1015 C LYS A 67 17.680 31.446 28.775 1.00 0.00 C ATOM 1016 O LYS A 67 17.444 31.969 27.686 1.00 0.00 O ATOM 1017 CB LYS A 67 18.224 29.140 29.578 1.00 0.00 C ATOM 1018 CG LYS A 67 19.254 28.037 29.752 1.00 0.00 C ATOM 1019 CD LYS A 67 19.792 27.560 28.414 1.00 0.00 C ATOM 1020 CE LYS A 67 20.715 26.362 28.579 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.024 25.216 29.232 1.00 0.00 N ATOM 0 H LYS A 67 19.770 30.879 30.704 1.00 0.00 H new ATOM 0 HA LYS A 67 19.151 30.151 27.921 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.816 29.402 30.554 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.396 28.761 28.978 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.077 28.400 30.367 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.804 27.199 30.284 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.961 27.293 27.761 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.332 28.372 27.927 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.087 26.053 27.602 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.582 26.650 29.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.551 24.340 29.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.977 25.378 30.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.060 25.129 28.851 1.00 0.00 H new ATOM 1129 N VAL A 74 19.848 34.842 36.045 1.00 0.00 N ATOM 1130 CA VAL A 74 20.650 34.051 36.970 1.00 0.00 C ATOM 1131 C VAL A 74 21.343 32.900 36.251 1.00 0.00 C ATOM 1132 O VAL A 74 20.735 32.210 35.433 1.00 0.00 O ATOM 1133 CB VAL A 74 19.791 33.484 38.115 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.322 34.600 39.035 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.607 32.708 37.558 1.00 0.00 C ATOM 0 HA VAL A 74 21.402 34.720 37.388 1.00 0.00 H new ATOM 0 HB VAL A 74 20.404 32.798 38.700 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.716 34.179 39.838 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.187 35.108 39.461 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.726 35.314 38.467 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.011 32.314 38.381 1.00 0.00 H new ATOM 0 HG22 VAL A 74 17.992 33.370 36.949 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.969 31.883 36.945 1.00 0.00 H new ATOM 1145 N ALA A 75 22.620 32.698 36.561 1.00 0.00 N ATOM 1146 CA ALA A 75 23.395 31.628 35.945 1.00 0.00 C ATOM 1147 C ALA A 75 23.219 30.317 36.703 1.00 0.00 C ATOM 1148 O ALA A 75 23.280 30.284 37.933 1.00 0.00 O ATOM 1149 CB ALA A 75 24.867 32.011 35.884 1.00 0.00 C ATOM 0 H ALA A 75 23.139 33.261 37.235 1.00 0.00 H new ATOM 0 HA ALA A 75 23.026 31.483 34.930 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.434 31.203 35.422 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.982 32.920 35.293 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.240 32.185 36.893 1.00 0.00 H new ATOM 1155 N THR A 76 22.999 29.235 35.962 1.00 0.00 N ATOM 1156 CA THR A 76 22.812 27.921 36.564 1.00 0.00 C ATOM 1157 C THR A 76 23.941 26.973 36.177 1.00 0.00 C ATOM 1158 O THR A 76 24.446 27.019 35.055 1.00 0.00 O ATOM 1159 CB THR A 76 21.467 27.298 36.144 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.872 28.074 35.099 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.515 27.217 37.328 1.00 0.00 C ATOM 0 H THR A 76 22.946 29.243 34.943 1.00 0.00 H new ATOM 0 HA THR A 76 22.817 28.064 37.645 1.00 0.00 H new ATOM 0 HB THR A 76 21.657 26.288 35.781 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.018 27.670 34.837 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.572 26.774 37.007 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.958 26.600 38.110 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.331 28.219 37.716 1.00 0.00 H new ATOM 1169 N ASP A 77 24.333 26.115 37.112 1.00 0.00 N ATOM 1170 CA ASP A 77 25.402 25.154 36.868 1.00 0.00 C ATOM 1171 C ASP A 77 26.672 25.860 36.402 1.00 0.00 C ATOM 1172 O ASP A 77 27.060 25.758 35.238 1.00 0.00 O ATOM 1173 CB ASP A 77 24.964 24.125 35.825 1.00 0.00 C ATOM 1174 CG ASP A 77 24.132 23.010 36.426 1.00 0.00 C ATOM 1175 OD1 ASP A 77 24.191 22.825 37.659 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.422 22.321 35.663 1.00 0.00 O ATOM 0 H ASP A 77 23.926 26.065 38.046 1.00 0.00 H new ATOM 0 HA ASP A 77 25.616 24.641 37.805 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.388 24.624 35.046 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.846 23.699 35.347 1.00 0.00 H new ATOM 1181 N VAL A 78 27.313 26.579 37.317 1.00 0.00 N ATOM 1182 CA VAL A 78 28.539 27.302 37.001 1.00 0.00 C ATOM 1183 C VAL A 78 29.751 26.379 37.048 1.00 0.00 C ATOM 1184 O VAL A 78 29.892 25.571 37.966 1.00 0.00 O ATOM 1185 CB VAL A 78 28.764 28.477 37.971 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.075 29.183 37.660 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.597 29.450 37.909 1.00 0.00 C ATOM 0 H VAL A 78 27.004 26.677 38.284 1.00 0.00 H new ATOM 0 HA VAL A 78 28.423 27.692 35.990 1.00 0.00 H new ATOM 0 HB VAL A 78 28.824 28.082 38.985 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.217 30.010 38.356 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.901 28.478 37.761 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.048 29.567 36.640 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.773 30.274 38.601 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.503 29.841 36.896 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.678 28.934 38.186 1.00 0.00 H new ATOM 1197 N ARG A 79 30.623 26.504 36.053 1.00 0.00 N ATOM 1198 CA ARG A 79 31.823 25.679 35.981 1.00 0.00 C ATOM 1199 C ARG A 79 33.079 26.546 35.983 1.00 0.00 C ATOM 1200 O ARG A 79 33.213 27.465 35.174 1.00 0.00 O ATOM 1201 CB ARG A 79 31.794 24.808 34.724 1.00 0.00 C ATOM 1202 CG ARG A 79 30.880 23.599 34.841 1.00 0.00 C ATOM 1203 CD ARG A 79 29.904 23.523 33.677 1.00 0.00 C ATOM 1204 NE ARG A 79 28.969 22.411 33.819 1.00 0.00 N ATOM 1205 CZ ARG A 79 29.294 21.143 33.594 1.00 0.00 C ATOM 1206 NH1 ARG A 79 30.527 20.829 33.219 1.00 0.00 N ATOM 1207 NH2 ARG A 79 28.387 20.187 33.745 1.00 0.00 N ATOM 0 H ARG A 79 30.521 27.168 35.286 1.00 0.00 H new ATOM 0 HA ARG A 79 31.845 25.035 36.860 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.472 25.416 33.879 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.806 24.468 34.505 1.00 0.00 H new ATOM 0 HG2 ARG A 79 31.480 22.690 34.874 1.00 0.00 H new ATOM 0 HG3 ARG A 79 30.326 23.650 35.779 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.348 24.458 33.609 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.459 23.413 32.745 1.00 0.00 H new ATOM 0 HE ARG A 79 28.013 22.619 34.107 1.00 0.00 H new ATOM 0 HH11 ARG A 79 31.227 21.562 33.103 1.00 0.00 H new ATOM 0 HH12 ARG A 79 30.775 19.855 33.047 1.00 0.00 H new ATOM 0 HH21 ARG A 79 27.438 20.425 34.034 1.00 0.00 H new ATOM 0 HH22 ARG A 79 28.638 19.214 33.572 1.00 0.00 H new ATOM 1221 N LEU A 80 33.995 26.248 36.897 1.00 0.00 N ATOM 1222 CA LEU A 80 35.241 27.000 37.006 1.00 0.00 C ATOM 1223 C LEU A 80 36.040 26.918 35.709 1.00 0.00 C ATOM 1224 O LEU A 80 36.179 25.846 35.119 1.00 0.00 O ATOM 1225 CB LEU A 80 36.080 26.470 38.170 1.00 0.00 C ATOM 1226 CG LEU A 80 36.093 27.331 39.434 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.815 26.610 40.562 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.746 28.677 39.155 1.00 0.00 C ATOM 0 H LEU A 80 33.899 25.491 37.574 1.00 0.00 H new ATOM 0 HA LEU A 80 34.992 28.045 37.193 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.713 25.478 38.434 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.107 26.349 37.826 1.00 0.00 H new ATOM 0 HG LEU A 80 35.062 27.507 39.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.815 27.237 41.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.305 25.671 40.779 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.843 26.404 40.263 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.747 29.277 40.065 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.772 28.522 38.822 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.187 29.198 38.378 1.00 0.00 H new ATOM 1240 N LEU A 81 36.567 28.057 35.273 1.00 0.00 N ATOM 1241 CA LEU A 81 37.356 28.115 34.047 1.00 0.00 C ATOM 1242 C LEU A 81 38.794 27.677 34.304 1.00 0.00 C ATOM 1243 O LEU A 81 39.283 27.696 35.434 1.00 0.00 O ATOM 1244 CB LEU A 81 37.338 29.532 33.472 1.00 0.00 C ATOM 1245 CG LEU A 81 36.123 29.894 32.616 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.148 31.369 32.250 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.079 29.032 31.363 1.00 0.00 C ATOM 0 H LEU A 81 36.462 28.953 35.750 1.00 0.00 H new ATOM 0 HA LEU A 81 36.910 27.431 33.325 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.398 30.239 34.299 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.236 29.669 32.869 1.00 0.00 H new ATOM 0 HG LEU A 81 35.222 29.701 33.198 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.276 31.608 31.641 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.131 31.970 33.159 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.055 31.589 31.687 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.208 29.303 30.766 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.985 29.193 30.778 1.00 0.00 H new ATOM 0 HD23 LEU A 81 36.012 27.982 31.646 1.00 0.00 H new ATOM 1259 N PRO A 82 39.491 27.275 33.231 1.00 0.00 N ATOM 1260 CA PRO A 82 40.885 26.827 33.315 1.00 0.00 C ATOM 1261 C PRO A 82 41.843 27.971 33.630 1.00 0.00 C ATOM 1262 O PRO A 82 41.560 29.130 33.329 1.00 0.00 O ATOM 1263 CB PRO A 82 41.162 26.268 31.917 1.00 0.00 C ATOM 1264 CG PRO A 82 40.205 26.982 31.026 1.00 0.00 C ATOM 1265 CD PRO A 82 38.973 27.227 31.854 1.00 0.00 C ATOM 0 HA PRO A 82 41.033 26.103 34.116 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.194 26.449 31.616 1.00 0.00 H new ATOM 0 HB3 PRO A 82 41.005 25.190 31.884 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.629 27.921 30.670 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.971 26.384 30.145 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.482 28.160 31.577 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.239 26.431 31.728 1.00 0.00 H new