USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=8 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 K(o=0,f=-1.2) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -160:sc= -0.484 (180deg=-1.42) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0879 X(o=-0.088,f=-0.57) 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 65:sc= -0.0554 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.772 31.824 28.492 1.00 0.00 N ATOM 272 CA CYS A 19 29.202 33.070 29.116 1.00 0.00 C ATOM 273 C CYS A 19 30.117 32.795 30.306 1.00 0.00 C ATOM 274 O CYS A 19 29.744 32.079 31.234 1.00 0.00 O ATOM 275 CB CYS A 19 27.989 33.883 29.568 1.00 0.00 C ATOM 276 SG CYS A 19 26.914 34.419 28.216 1.00 0.00 S ATOM 0 HA CYS A 19 29.760 33.644 28.376 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.405 33.285 30.267 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.336 34.761 30.112 1.00 0.00 H new ATOM 0 HG CYS A 19 25.915 35.097 28.698 1.00 0.00 H new ATOM 282 N GLN A 20 31.316 33.367 30.268 1.00 0.00 N ATOM 283 CA GLN A 20 32.284 33.181 31.342 1.00 0.00 C ATOM 284 C GLN A 20 32.716 34.522 31.924 1.00 0.00 C ATOM 285 O GLN A 20 32.455 35.575 31.344 1.00 0.00 O ATOM 286 CB GLN A 20 33.506 32.417 30.829 1.00 0.00 C ATOM 287 CG GLN A 20 34.318 33.189 29.801 1.00 0.00 C ATOM 288 CD GLN A 20 34.194 32.610 28.405 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.103 32.562 27.835 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.314 32.167 27.846 1.00 0.00 N ATOM 0 H GLN A 20 31.640 33.962 29.506 1.00 0.00 H new ATOM 0 HA GLN A 20 31.806 32.600 32.131 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.148 32.166 31.673 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.177 31.476 30.388 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.989 34.228 29.790 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.367 33.190 30.098 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.196 32.226 28.355 1.00 0.00 H new ATOM 0 HE22 GLN A 20 35.292 31.767 26.908 1.00 0.00 H new ATOM 299 N GLY A 21 33.378 34.477 33.077 1.00 0.00 N ATOM 300 CA GLY A 21 33.834 35.695 33.719 1.00 0.00 C ATOM 301 C GLY A 21 34.715 35.422 34.922 1.00 0.00 C ATOM 302 O GLY A 21 35.390 34.394 34.986 1.00 0.00 O ATOM 0 H GLY A 21 33.606 33.618 33.577 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.386 36.297 32.998 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.971 36.283 34.031 1.00 0.00 H new ATOM 306 N VAL A 22 34.711 36.345 35.879 1.00 0.00 N ATOM 307 CA VAL A 22 35.516 36.199 37.086 1.00 0.00 C ATOM 308 C VAL A 22 34.711 36.558 38.330 1.00 0.00 C ATOM 309 O VAL A 22 33.931 37.511 38.324 1.00 0.00 O ATOM 310 CB VAL A 22 36.776 37.082 37.030 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.631 36.872 38.270 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.574 36.791 35.767 1.00 0.00 C ATOM 0 H VAL A 22 34.159 37.202 35.842 1.00 0.00 H new ATOM 0 HA VAL A 22 35.817 35.153 37.141 1.00 0.00 H new ATOM 0 HB VAL A 22 36.466 38.127 37.005 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.517 37.504 38.212 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.055 37.134 39.158 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.935 35.827 38.330 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.461 37.424 35.743 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.875 35.743 35.760 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.958 36.997 34.892 1.00 0.00 H new ATOM 322 N VAL A 23 34.906 35.790 39.397 1.00 0.00 N ATOM 323 CA VAL A 23 34.201 36.028 40.650 1.00 0.00 C ATOM 324 C VAL A 23 34.485 37.427 41.183 1.00 0.00 C ATOM 325 O VAL A 23 35.555 37.688 41.734 1.00 0.00 O ATOM 326 CB VAL A 23 34.593 34.993 41.721 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.714 35.139 42.953 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.504 33.583 41.157 1.00 0.00 C ATOM 0 H VAL A 23 35.547 34.997 39.418 1.00 0.00 H new ATOM 0 HA VAL A 23 33.136 35.933 40.437 1.00 0.00 H new ATOM 0 HB VAL A 23 35.626 35.177 42.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.006 34.399 43.698 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.833 36.140 43.369 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.671 34.983 42.677 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.784 32.865 41.927 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.483 33.385 40.831 1.00 0.00 H new ATOM 0 HG23 VAL A 23 35.181 33.487 40.308 1.00 0.00 H new ATOM 338 N CYS A 24 33.519 38.325 41.017 1.00 0.00 N ATOM 339 CA CYS A 24 33.665 39.700 41.482 1.00 0.00 C ATOM 340 C CYS A 24 33.236 39.829 42.940 1.00 0.00 C ATOM 341 O CYS A 24 33.914 40.470 43.742 1.00 0.00 O ATOM 342 CB CYS A 24 32.840 40.646 40.609 1.00 0.00 C ATOM 343 SG CYS A 24 33.373 42.372 40.682 1.00 0.00 S ATOM 0 H CYS A 24 32.627 38.125 40.564 1.00 0.00 H new ATOM 0 HA CYS A 24 34.717 39.973 41.406 1.00 0.00 H new ATOM 0 HB2 CYS A 24 32.890 40.305 39.575 1.00 0.00 H new ATOM 0 HB3 CYS A 24 31.795 40.586 40.914 1.00 0.00 H new ATOM 0 HG CYS A 24 32.616 43.093 39.909 1.00 0.00 H new ATOM 349 N ALA A 25 32.105 39.217 43.275 1.00 0.00 N ATOM 350 CA ALA A 25 31.586 39.264 44.636 1.00 0.00 C ATOM 351 C ALA A 25 32.008 38.030 45.427 1.00 0.00 C ATOM 352 O ALA A 25 32.122 36.936 44.875 1.00 0.00 O ATOM 353 CB ALA A 25 30.070 39.389 44.618 1.00 0.00 C ATOM 0 H ALA A 25 31.531 38.683 42.623 1.00 0.00 H new ATOM 0 HA ALA A 25 32.006 40.141 45.129 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.696 39.423 45.641 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.786 40.304 44.097 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.640 38.530 44.103 1.00 0.00 H new ATOM 359 N MET A 26 32.238 38.214 46.723 1.00 0.00 N ATOM 360 CA MET A 26 32.647 37.115 47.590 1.00 0.00 C ATOM 361 C MET A 26 31.798 37.077 48.856 1.00 0.00 C ATOM 362 O MET A 26 31.921 37.940 49.726 1.00 0.00 O ATOM 363 CB MET A 26 34.126 37.250 47.957 1.00 0.00 C ATOM 364 CG MET A 26 35.065 36.618 46.942 1.00 0.00 C ATOM 365 SD MET A 26 36.021 35.256 47.635 1.00 0.00 S ATOM 366 CE MET A 26 35.493 33.903 46.586 1.00 0.00 C ATOM 0 H MET A 26 32.148 39.113 47.196 1.00 0.00 H new ATOM 0 HA MET A 26 32.499 36.182 47.047 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.372 38.307 48.058 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.294 36.790 48.931 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.485 36.255 46.093 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.747 37.378 46.561 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.700 32.955 47.083 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.423 33.987 46.395 1.00 0.00 H new ATOM 0 HE3 MET A 26 36.034 33.943 45.641 1.00 0.00 H new ATOM 376 N LYS A 27 30.935 36.071 48.955 1.00 0.00 N ATOM 377 CA LYS A 27 30.066 35.919 50.115 1.00 0.00 C ATOM 378 C LYS A 27 30.044 34.470 50.592 1.00 0.00 C ATOM 379 O LYS A 27 30.627 33.590 49.959 1.00 0.00 O ATOM 380 CB LYS A 27 28.645 36.377 49.777 1.00 0.00 C ATOM 381 CG LYS A 27 28.063 37.349 50.789 1.00 0.00 C ATOM 382 CD LYS A 27 27.517 38.596 50.114 1.00 0.00 C ATOM 383 CE LYS A 27 26.349 39.185 50.890 1.00 0.00 C ATOM 384 NZ LYS A 27 26.709 40.475 51.541 1.00 0.00 N ATOM 0 H LYS A 27 30.819 35.348 48.245 1.00 0.00 H new ATOM 0 HA LYS A 27 30.461 36.542 50.918 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.648 36.848 48.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.997 35.503 49.710 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.267 36.859 51.349 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.832 37.631 51.508 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.309 39.340 50.027 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.196 38.352 49.101 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.507 39.341 50.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.022 38.474 51.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.886 40.844 52.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.496 40.322 52.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.997 41.162 50.815 1.00 0.00 H new ATOM 398 N GLU A 28 29.367 34.230 51.711 1.00 0.00 N ATOM 399 CA GLU A 28 29.269 32.887 52.271 1.00 0.00 C ATOM 400 C GLU A 28 27.910 32.267 51.962 1.00 0.00 C ATOM 401 O GLU A 28 27.252 31.716 52.845 1.00 0.00 O ATOM 402 CB GLU A 28 29.493 32.925 53.784 1.00 0.00 C ATOM 403 CG GLU A 28 30.127 31.659 54.337 1.00 0.00 C ATOM 404 CD GLU A 28 31.325 31.945 55.221 1.00 0.00 C ATOM 405 OE1 GLU A 28 32.361 32.396 54.688 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.228 31.717 56.445 1.00 0.00 O ATOM 0 H GLU A 28 28.879 34.947 52.247 1.00 0.00 H new ATOM 0 HA GLU A 28 30.042 32.271 51.812 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.129 33.776 54.027 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.537 33.089 54.281 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.383 31.104 54.908 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.435 31.020 53.509 1.00 0.00 H new ATOM 413 N ALA A 29 27.496 32.360 50.703 1.00 0.00 N ATOM 414 CA ALA A 29 26.216 31.807 50.276 1.00 0.00 C ATOM 415 C ALA A 29 26.017 31.979 48.774 1.00 0.00 C ATOM 416 O ALA A 29 25.556 31.065 48.090 1.00 0.00 O ATOM 417 CB ALA A 29 25.076 32.464 51.040 1.00 0.00 C ATOM 0 H ALA A 29 28.028 32.813 49.960 1.00 0.00 H new ATOM 0 HA ALA A 29 26.218 30.739 50.496 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.127 32.042 50.711 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.203 32.285 52.108 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.081 33.537 50.849 1.00 0.00 H new ATOM 423 N PHE A 30 26.366 33.157 48.267 1.00 0.00 N ATOM 424 CA PHE A 30 26.224 33.449 46.845 1.00 0.00 C ATOM 425 C PHE A 30 27.207 34.533 46.412 1.00 0.00 C ATOM 426 O PHE A 30 27.855 35.167 47.244 1.00 0.00 O ATOM 427 CB PHE A 30 24.792 33.890 46.535 1.00 0.00 C ATOM 428 CG PHE A 30 24.277 34.954 47.462 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.826 36.226 47.450 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.245 34.681 48.345 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.354 37.207 48.302 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.770 35.658 49.199 1.00 0.00 C ATOM 433 CZ PHE A 30 23.326 36.923 49.178 1.00 0.00 C ATOM 0 H PHE A 30 26.749 33.924 48.819 1.00 0.00 H new ATOM 0 HA PHE A 30 26.446 32.539 46.288 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.748 34.260 45.511 1.00 0.00 H new ATOM 0 HB3 PHE A 30 24.134 33.023 46.589 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.632 36.454 46.768 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.807 33.694 48.366 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.789 38.195 48.282 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.965 35.433 49.883 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.957 37.688 49.846 1.00 0.00 H new ATOM 443 N GLY A 31 27.311 34.740 45.103 1.00 0.00 N ATOM 444 CA GLY A 31 28.217 35.746 44.581 1.00 0.00 C ATOM 445 C GLY A 31 27.861 36.172 43.170 1.00 0.00 C ATOM 446 O GLY A 31 26.884 35.689 42.597 1.00 0.00 O ATOM 0 H GLY A 31 26.784 34.229 44.395 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.202 36.618 45.235 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.235 35.355 44.593 1.00 0.00 H new ATOM 450 N PHE A 32 28.652 37.080 42.610 1.00 0.00 N ATOM 451 CA PHE A 32 28.413 37.573 41.258 1.00 0.00 C ATOM 452 C PHE A 32 29.638 37.353 40.375 1.00 0.00 C ATOM 453 O PHE A 32 30.689 36.921 40.849 1.00 0.00 O ATOM 454 CB PHE A 32 28.055 39.060 41.291 1.00 0.00 C ATOM 455 CG PHE A 32 26.748 39.346 41.973 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.650 39.311 43.355 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.616 39.650 41.233 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.449 39.575 43.986 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.413 39.915 41.859 1.00 0.00 C ATOM 460 CZ PHE A 32 24.328 39.876 43.237 1.00 0.00 C ATOM 0 H PHE A 32 29.464 37.490 43.071 1.00 0.00 H new ATOM 0 HA PHE A 32 27.577 37.014 40.836 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.849 39.606 41.801 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.013 39.438 40.270 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.523 39.075 43.946 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.675 39.680 40.155 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.387 39.546 45.064 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.539 40.153 41.271 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.388 40.080 43.728 1.00 0.00 H new ATOM 470 N ILE A 33 29.493 37.653 39.088 1.00 0.00 N ATOM 471 CA ILE A 33 30.586 37.488 38.138 1.00 0.00 C ATOM 472 C ILE A 33 30.696 38.695 37.213 1.00 0.00 C ATOM 473 O ILE A 33 29.693 39.189 36.699 1.00 0.00 O ATOM 474 CB ILE A 33 30.407 36.217 37.287 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.110 35.014 38.185 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.648 35.964 36.446 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.869 33.733 37.418 1.00 0.00 C ATOM 0 H ILE A 33 28.630 38.011 38.680 1.00 0.00 H new ATOM 0 HA ILE A 33 31.501 37.396 38.723 1.00 0.00 H new ATOM 0 HB ILE A 33 29.561 36.363 36.615 1.00 0.00 H new ATOM 0 HG12 ILE A 33 30.945 34.867 38.869 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.233 35.233 38.795 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.506 35.062 35.850 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.818 36.813 35.784 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.510 35.835 37.100 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.665 32.923 38.118 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.015 33.862 36.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.753 33.490 36.829 1.00 0.00 H new ATOM 489 N GLU A 34 31.923 39.164 37.004 1.00 0.00 N ATOM 490 CA GLU A 34 32.163 40.313 36.138 1.00 0.00 C ATOM 491 C GLU A 34 32.149 39.900 34.669 1.00 0.00 C ATOM 492 O GLU A 34 32.633 38.826 34.311 1.00 0.00 O ATOM 493 CB GLU A 34 33.503 40.967 36.483 1.00 0.00 C ATOM 494 CG GLU A 34 33.435 42.482 36.571 1.00 0.00 C ATOM 495 CD GLU A 34 34.286 43.167 35.519 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.495 42.862 35.443 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.742 44.006 34.771 1.00 0.00 O ATOM 0 H GLU A 34 32.764 38.767 37.422 1.00 0.00 H new ATOM 0 HA GLU A 34 31.362 41.033 36.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.856 40.572 37.435 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.239 40.688 35.729 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.399 42.802 36.460 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.762 42.800 37.561 1.00 0.00 H new ATOM 601 N GLU A 41 25.785 41.784 33.531 1.00 0.00 N ATOM 602 CA GLU A 41 26.175 40.958 34.669 1.00 0.00 C ATOM 603 C GLU A 41 25.074 39.963 35.021 1.00 0.00 C ATOM 604 O GLU A 41 23.936 40.094 34.570 1.00 0.00 O ATOM 605 CB GLU A 41 26.491 41.838 35.881 1.00 0.00 C ATOM 606 CG GLU A 41 25.295 42.624 36.390 1.00 0.00 C ATOM 607 CD GLU A 41 25.272 44.050 35.874 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.973 44.334 34.880 1.00 0.00 O ATOM 609 OE2 GLU A 41 24.553 44.883 36.466 1.00 0.00 O ATOM 0 HA GLU A 41 27.069 40.400 34.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.872 41.210 36.686 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.287 42.534 35.616 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.378 42.118 36.089 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.310 42.636 37.480 1.00 0.00 H new ATOM 616 N ILE A 42 25.422 38.967 35.830 1.00 0.00 N ATOM 617 CA ILE A 42 24.464 37.950 36.244 1.00 0.00 C ATOM 618 C ILE A 42 24.706 37.521 37.687 1.00 0.00 C ATOM 619 O ILE A 42 25.746 37.827 38.271 1.00 0.00 O ATOM 620 CB ILE A 42 24.531 36.710 35.334 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.707 35.818 35.737 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.652 37.128 33.876 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.043 36.525 35.697 1.00 0.00 C ATOM 0 H ILE A 42 26.360 38.843 36.211 1.00 0.00 H new ATOM 0 HA ILE A 42 23.474 38.398 36.162 1.00 0.00 H new ATOM 0 HB ILE A 42 23.609 36.140 35.453 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.536 35.438 36.744 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.742 34.955 35.073 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.698 36.240 33.246 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.785 37.727 33.596 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.559 37.717 33.740 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.830 35.832 35.994 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.236 36.881 34.685 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.027 37.372 36.383 1.00 0.00 H new ATOM 635 N PHE A 43 23.739 36.810 38.258 1.00 0.00 N ATOM 636 CA PHE A 43 23.847 36.338 39.633 1.00 0.00 C ATOM 637 C PHE A 43 23.764 34.815 39.693 1.00 0.00 C ATOM 638 O PHE A 43 22.904 34.203 39.059 1.00 0.00 O ATOM 639 CB PHE A 43 22.743 36.954 40.495 1.00 0.00 C ATOM 640 CG PHE A 43 22.695 36.404 41.891 1.00 0.00 C ATOM 641 CD1 PHE A 43 23.704 36.689 42.798 1.00 0.00 C ATOM 642 CD2 PHE A 43 21.642 35.602 42.298 1.00 0.00 C ATOM 643 CE1 PHE A 43 23.663 36.184 44.083 1.00 0.00 C ATOM 644 CE2 PHE A 43 21.594 35.093 43.583 1.00 0.00 C ATOM 645 CZ PHE A 43 22.606 35.386 44.477 1.00 0.00 C ATOM 0 H PHE A 43 22.872 36.548 37.789 1.00 0.00 H new ATOM 0 HA PHE A 43 24.817 36.648 40.022 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.890 38.033 40.543 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.780 36.785 40.013 1.00 0.00 H new ATOM 0 HD1 PHE A 43 24.532 37.313 42.496 1.00 0.00 H new ATOM 0 HD2 PHE A 43 20.848 35.371 41.603 1.00 0.00 H new ATOM 0 HE1 PHE A 43 24.456 36.413 44.779 1.00 0.00 H new ATOM 0 HE2 PHE A 43 20.767 34.468 43.887 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.571 34.992 45.482 1.00 0.00 H new ATOM 655 N PHE A 44 24.665 34.209 40.460 1.00 0.00 N ATOM 656 CA PHE A 44 24.696 32.758 40.603 1.00 0.00 C ATOM 657 C PHE A 44 24.813 32.359 42.071 1.00 0.00 C ATOM 658 O PHE A 44 25.316 33.122 42.896 1.00 0.00 O ATOM 659 CB PHE A 44 25.864 32.171 39.808 1.00 0.00 C ATOM 660 CG PHE A 44 27.205 32.431 40.433 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.700 33.721 40.530 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.970 31.385 40.923 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.934 33.963 41.104 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.204 31.620 41.498 1.00 0.00 C ATOM 665 CZ PHE A 44 29.686 32.911 41.590 1.00 0.00 C ATOM 0 H PHE A 44 25.383 34.700 40.992 1.00 0.00 H new ATOM 0 HA PHE A 44 23.761 32.359 40.210 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.721 31.095 39.708 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.854 32.589 38.801 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.115 34.547 40.153 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.597 30.374 40.855 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.310 34.973 41.172 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.791 30.795 41.875 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.649 33.098 42.041 1.00 0.00 H new ATOM 675 N HIS A 45 24.344 31.156 42.390 1.00 0.00 N ATOM 676 CA HIS A 45 24.396 30.654 43.758 1.00 0.00 C ATOM 677 C HIS A 45 25.418 29.529 43.885 1.00 0.00 C ATOM 678 O HIS A 45 25.618 28.750 42.953 1.00 0.00 O ATOM 679 CB HIS A 45 23.016 30.158 44.194 1.00 0.00 C ATOM 680 CG HIS A 45 22.597 30.663 45.541 1.00 0.00 C ATOM 681 ND1 HIS A 45 23.131 30.191 46.721 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.689 31.604 45.890 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.570 30.820 47.738 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.691 31.683 47.261 1.00 0.00 N ATOM 0 H HIS A 45 23.924 30.512 41.720 1.00 0.00 H new ATOM 0 HA HIS A 45 24.702 31.473 44.409 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.278 30.466 43.454 1.00 0.00 H new ATOM 0 HB3 HIS A 45 23.018 29.068 44.208 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.077 32.185 45.216 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.792 30.657 48.782 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.109 32.307 47.820 1.00 0.00 H new ATOM 692 N TYR A 46 26.062 29.449 45.044 1.00 0.00 N ATOM 693 CA TYR A 46 27.066 28.421 45.292 1.00 0.00 C ATOM 694 C TYR A 46 26.460 27.027 45.164 1.00 0.00 C ATOM 695 O TYR A 46 27.154 26.064 44.836 1.00 0.00 O ATOM 696 CB TYR A 46 27.675 28.599 46.684 1.00 0.00 C ATOM 697 CG TYR A 46 28.921 29.456 46.694 1.00 0.00 C ATOM 698 CD1 TYR A 46 30.019 29.128 45.909 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.000 30.592 47.490 1.00 0.00 C ATOM 700 CE1 TYR A 46 31.160 29.907 45.916 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.136 31.378 47.502 1.00 0.00 C ATOM 702 CZ TYR A 46 31.213 31.032 46.713 1.00 0.00 C ATOM 703 OH TYR A 46 32.347 31.811 46.723 1.00 0.00 O ATOM 0 H TYR A 46 25.907 30.084 45.827 1.00 0.00 H new ATOM 0 HA TYR A 46 27.851 28.527 44.543 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.931 29.047 47.343 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.915 27.618 47.095 1.00 0.00 H new ATOM 0 HD1 TYR A 46 29.980 28.249 45.283 1.00 0.00 H new ATOM 0 HD2 TYR A 46 28.159 30.865 48.110 1.00 0.00 H new ATOM 0 HE1 TYR A 46 32.006 29.637 45.301 1.00 0.00 H new ATOM 0 HE2 TYR A 46 30.180 32.259 48.126 1.00 0.00 H new ATOM 0 HH TYR A 46 32.220 32.565 47.336 1.00 0.00 H new ATOM 713 N SER A 47 25.161 26.927 45.426 1.00 0.00 N ATOM 714 CA SER A 47 24.461 25.650 45.343 1.00 0.00 C ATOM 715 C SER A 47 24.568 25.061 43.940 1.00 0.00 C ATOM 716 O SER A 47 24.702 23.850 43.773 1.00 0.00 O ATOM 717 CB SER A 47 22.989 25.826 45.724 1.00 0.00 C ATOM 718 OG SER A 47 22.851 26.121 47.103 1.00 0.00 O ATOM 0 H SER A 47 24.572 27.714 45.697 1.00 0.00 H new ATOM 0 HA SER A 47 24.931 24.960 46.044 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.550 26.629 45.131 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.437 24.916 45.486 1.00 0.00 H new ATOM 0 HG SER A 47 21.902 26.230 47.321 1.00 0.00 H new ATOM 724 N GLU A 48 24.507 25.929 42.935 1.00 0.00 N ATOM 725 CA GLU A 48 24.596 25.495 41.546 1.00 0.00 C ATOM 726 C GLU A 48 26.053 25.369 41.107 1.00 0.00 C ATOM 727 O GLU A 48 26.376 24.600 40.202 1.00 0.00 O ATOM 728 CB GLU A 48 23.861 26.479 40.633 1.00 0.00 C ATOM 729 CG GLU A 48 22.353 26.467 40.814 1.00 0.00 C ATOM 730 CD GLU A 48 21.753 25.087 40.626 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.595 24.663 39.462 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.443 24.431 41.642 1.00 0.00 O ATOM 0 H GLU A 48 24.396 26.936 43.057 1.00 0.00 H new ATOM 0 HA GLU A 48 24.125 24.515 41.468 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.233 27.486 40.823 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.096 26.243 39.595 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.108 26.833 41.811 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.900 27.156 40.101 1.00 0.00 H new ATOM 739 N PHE A 49 26.927 26.130 41.756 1.00 0.00 N ATOM 740 CA PHE A 49 28.349 26.106 41.433 1.00 0.00 C ATOM 741 C PHE A 49 28.885 24.677 41.443 1.00 0.00 C ATOM 742 O PHE A 49 28.604 23.902 42.358 1.00 0.00 O ATOM 743 CB PHE A 49 29.135 26.963 42.428 1.00 0.00 C ATOM 744 CG PHE A 49 30.624 26.841 42.279 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.267 27.357 41.166 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.381 26.209 43.253 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.638 27.247 41.026 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.752 26.096 43.118 1.00 0.00 C ATOM 749 CZ PHE A 49 33.381 26.614 42.003 1.00 0.00 C ATOM 0 H PHE A 49 26.676 26.771 42.509 1.00 0.00 H new ATOM 0 HA PHE A 49 28.475 26.517 40.431 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.850 28.007 42.301 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.855 26.677 43.442 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.690 27.851 40.398 1.00 0.00 H new ATOM 0 HD2 PHE A 49 30.895 25.801 44.126 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.127 27.655 40.154 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.331 25.603 43.884 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.452 26.524 41.895 1.00 0.00 H new ATOM 759 N LYS A 50 29.657 24.334 40.418 1.00 0.00 N ATOM 760 CA LYS A 50 30.234 22.999 40.306 1.00 0.00 C ATOM 761 C LYS A 50 31.755 23.069 40.219 1.00 0.00 C ATOM 762 O LYS A 50 32.331 22.948 39.139 1.00 0.00 O ATOM 763 CB LYS A 50 29.674 22.281 39.076 1.00 0.00 C ATOM 764 CG LYS A 50 28.164 22.121 39.100 1.00 0.00 C ATOM 765 CD LYS A 50 27.700 21.392 40.350 1.00 0.00 C ATOM 766 CE LYS A 50 28.279 19.988 40.424 1.00 0.00 C ATOM 767 NZ LYS A 50 27.331 19.029 41.056 1.00 0.00 N ATOM 0 H LYS A 50 29.898 24.963 39.652 1.00 0.00 H new ATOM 0 HA LYS A 50 29.965 22.438 41.201 1.00 0.00 H new ATOM 0 HB2 LYS A 50 29.958 22.835 38.182 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.134 21.296 39.000 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.692 23.103 39.054 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.841 21.571 38.216 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.998 21.957 41.233 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.611 21.339 40.358 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.527 19.644 39.420 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.208 20.008 40.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.763 18.084 41.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.113 19.343 42.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.454 18.990 40.499 1.00 0.00 H new ATOM 781 N GLY A 51 32.401 23.264 41.365 1.00 0.00 N ATOM 782 CA GLY A 51 33.849 23.345 41.395 1.00 0.00 C ATOM 783 C GLY A 51 34.407 23.227 42.800 1.00 0.00 C ATOM 784 O GLY A 51 34.036 22.324 43.549 1.00 0.00 O ATOM 0 H GLY A 51 31.947 23.367 42.273 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.267 22.553 40.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.166 24.293 40.960 1.00 0.00 H new ATOM 788 N ASP A 52 35.302 24.142 43.158 1.00 0.00 N ATOM 789 CA ASP A 52 35.913 24.136 44.482 1.00 0.00 C ATOM 790 C ASP A 52 35.313 25.229 45.362 1.00 0.00 C ATOM 791 O ASP A 52 35.473 26.419 45.088 1.00 0.00 O ATOM 792 CB ASP A 52 37.426 24.328 44.370 1.00 0.00 C ATOM 793 CG ASP A 52 38.082 23.266 43.509 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.821 22.068 43.744 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.857 23.634 42.601 1.00 0.00 O ATOM 0 H ASP A 52 35.620 24.897 42.550 1.00 0.00 H new ATOM 0 HA ASP A 52 35.711 23.170 44.944 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.634 25.312 43.950 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.867 24.307 45.367 1.00 0.00 H new ATOM 800 N LEU A 53 34.621 24.817 46.418 1.00 0.00 N ATOM 801 CA LEU A 53 33.996 25.761 47.339 1.00 0.00 C ATOM 802 C LEU A 53 35.003 26.268 48.366 1.00 0.00 C ATOM 803 O LEU A 53 34.846 27.356 48.918 1.00 0.00 O ATOM 804 CB LEU A 53 32.812 25.102 48.049 1.00 0.00 C ATOM 805 CG LEU A 53 31.538 25.942 48.149 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.822 27.260 48.853 1.00 0.00 C ATOM 807 CD2 LEU A 53 30.952 26.189 46.767 1.00 0.00 C ATOM 0 H LEU A 53 34.478 23.836 46.658 1.00 0.00 H new ATOM 0 HA LEU A 53 33.637 26.612 46.761 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.572 24.175 47.529 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.124 24.830 49.057 1.00 0.00 H new ATOM 0 HG LEU A 53 30.806 25.389 48.738 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.904 27.845 48.915 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.195 27.063 49.858 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.571 27.819 48.291 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.046 26.788 46.858 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.679 26.721 46.153 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.711 25.235 46.298 1.00 0.00 H new ATOM 819 N GLU A 54 36.037 25.471 48.617 1.00 0.00 N ATOM 820 CA GLU A 54 37.070 25.840 49.578 1.00 0.00 C ATOM 821 C GLU A 54 38.190 26.622 48.898 1.00 0.00 C ATOM 822 O GLU A 54 38.713 27.590 49.452 1.00 0.00 O ATOM 823 CB GLU A 54 37.641 24.591 50.252 1.00 0.00 C ATOM 824 CG GLU A 54 38.266 23.606 49.278 1.00 0.00 C ATOM 825 CD GLU A 54 38.744 22.338 49.958 1.00 0.00 C ATOM 826 OE1 GLU A 54 39.585 22.437 50.876 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.278 21.246 49.571 1.00 0.00 O ATOM 0 H GLU A 54 36.182 24.566 48.169 1.00 0.00 H new ATOM 0 HA GLU A 54 36.614 26.476 50.337 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.392 24.893 50.982 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.845 24.089 50.803 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.537 23.349 48.509 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.107 24.083 48.774 1.00 0.00 H new ATOM 834 N THR A 55 38.555 26.195 47.693 1.00 0.00 N ATOM 835 CA THR A 55 39.614 26.853 46.938 1.00 0.00 C ATOM 836 C THR A 55 39.050 27.594 45.731 1.00 0.00 C ATOM 837 O THR A 55 38.954 27.037 44.637 1.00 0.00 O ATOM 838 CB THR A 55 40.672 25.842 46.457 1.00 0.00 C ATOM 839 OG1 THR A 55 40.071 24.886 45.577 1.00 0.00 O ATOM 840 CG2 THR A 55 41.310 25.123 47.636 1.00 0.00 C ATOM 0 H THR A 55 38.133 25.396 47.219 1.00 0.00 H new ATOM 0 HA THR A 55 40.085 27.568 47.612 1.00 0.00 H new ATOM 0 HB THR A 55 41.449 26.389 45.923 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.768 25.337 44.762 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.054 24.414 47.271 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.792 25.851 48.289 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.542 24.588 48.194 1.00 0.00 H new ATOM 848 N LEU A 56 38.678 28.853 45.937 1.00 0.00 N ATOM 849 CA LEU A 56 38.124 29.671 44.864 1.00 0.00 C ATOM 850 C LEU A 56 38.238 31.156 45.197 1.00 0.00 C ATOM 851 O LEU A 56 37.260 31.789 45.594 1.00 0.00 O ATOM 852 CB LEU A 56 36.659 29.303 44.620 1.00 0.00 C ATOM 853 CG LEU A 56 35.935 30.110 43.542 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.336 29.629 42.156 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.428 30.014 43.726 1.00 0.00 C ATOM 0 H LEU A 56 38.750 29.329 46.836 1.00 0.00 H new ATOM 0 HA LEU A 56 38.698 29.475 43.958 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.610 28.248 44.350 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.115 29.417 45.558 1.00 0.00 H new ATOM 0 HG LEU A 56 36.227 31.156 43.640 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.811 30.215 41.402 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.411 29.750 42.026 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.074 28.577 42.046 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.929 30.594 42.950 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.118 28.971 43.655 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.155 30.407 44.705 1.00 0.00 H new ATOM 867 N GLN A 57 39.438 31.703 45.032 1.00 0.00 N ATOM 868 CA GLN A 57 39.678 33.113 45.314 1.00 0.00 C ATOM 869 C GLN A 57 41.074 33.528 44.861 1.00 0.00 C ATOM 870 O GLN A 57 41.968 32.700 44.686 1.00 0.00 O ATOM 871 CB GLN A 57 39.510 33.392 46.808 1.00 0.00 C ATOM 872 CG GLN A 57 39.939 32.235 47.696 1.00 0.00 C ATOM 873 CD GLN A 57 40.201 32.662 49.126 1.00 0.00 C ATOM 874 OE1 GLN A 57 41.351 32.758 49.557 1.00 0.00 O ATOM 875 NE2 GLN A 57 39.134 32.922 49.872 1.00 0.00 N ATOM 0 H GLN A 57 40.258 31.192 44.705 1.00 0.00 H new ATOM 0 HA GLN A 57 38.946 33.699 44.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.091 34.276 47.071 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.465 33.626 47.010 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.164 31.468 47.686 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.841 31.782 47.285 1.00 0.00 H new ATOM 0 HE21 GLN A 57 38.199 32.830 49.475 1.00 0.00 H new ATOM 0 HE22 GLN A 57 39.249 33.214 50.842 1.00 0.00 H new ATOM 884 N PRO A 58 41.268 34.841 44.667 1.00 0.00 N ATOM 885 CA PRO A 58 40.212 35.836 44.872 1.00 0.00 C ATOM 886 C PRO A 58 39.114 35.742 43.818 1.00 0.00 C ATOM 887 O PRO A 58 37.928 35.726 44.142 1.00 0.00 O ATOM 888 CB PRO A 58 40.953 37.170 44.755 1.00 0.00 C ATOM 889 CG PRO A 58 42.141 36.870 43.908 1.00 0.00 C ATOM 890 CD PRO A 58 42.534 35.455 44.232 1.00 0.00 C ATOM 0 HA PRO A 58 39.703 35.698 45.826 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.324 37.934 44.298 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.250 37.545 45.734 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.903 36.976 42.850 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.957 37.560 44.122 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.951 34.945 43.364 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.290 35.417 45.017 1.00 0.00 H new ATOM 898 N GLY A 59 39.519 35.681 42.553 1.00 0.00 N ATOM 899 CA GLY A 59 38.557 35.589 41.470 1.00 0.00 C ATOM 900 C GLY A 59 39.008 34.645 40.373 1.00 0.00 C ATOM 901 O GLY A 59 39.642 35.064 39.405 1.00 0.00 O ATOM 0 H GLY A 59 40.496 35.694 42.259 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.600 35.250 41.866 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.394 36.581 41.048 1.00 0.00 H new ATOM 905 N ASP A 60 38.680 33.366 40.525 1.00 0.00 N ATOM 906 CA ASP A 60 39.056 32.359 39.540 1.00 0.00 C ATOM 907 C ASP A 60 38.076 32.351 38.370 1.00 0.00 C ATOM 908 O ASP A 60 36.862 32.401 38.564 1.00 0.00 O ATOM 909 CB ASP A 60 39.106 30.974 40.188 1.00 0.00 C ATOM 910 CG ASP A 60 40.520 30.541 40.519 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.097 31.083 41.485 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.050 29.658 39.813 1.00 0.00 O ATOM 0 H ASP A 60 38.155 33.003 41.320 1.00 0.00 H new ATOM 0 HA ASP A 60 40.046 32.610 39.160 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.508 30.981 41.100 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.654 30.245 39.516 1.00 0.00 H new ATOM 917 N ASP A 61 38.613 32.289 37.156 1.00 0.00 N ATOM 918 CA ASP A 61 37.787 32.275 35.955 1.00 0.00 C ATOM 919 C ASP A 61 36.734 31.174 36.032 1.00 0.00 C ATOM 920 O ASP A 61 37.038 30.034 36.384 1.00 0.00 O ATOM 921 CB ASP A 61 38.658 32.079 34.713 1.00 0.00 C ATOM 922 CG ASP A 61 39.832 33.038 34.672 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.714 34.145 35.238 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.868 32.681 34.075 1.00 0.00 O ATOM 0 H ASP A 61 39.617 32.248 36.978 1.00 0.00 H new ATOM 0 HA ASP A 61 37.277 33.236 35.884 1.00 0.00 H new ATOM 0 HB2 ASP A 61 39.029 31.054 34.691 1.00 0.00 H new ATOM 0 HB3 ASP A 61 38.049 32.217 33.820 1.00 0.00 H new ATOM 929 N VAL A 62 35.495 31.522 35.701 1.00 0.00 N ATOM 930 CA VAL A 62 34.397 30.564 35.733 1.00 0.00 C ATOM 931 C VAL A 62 33.523 30.687 34.490 1.00 0.00 C ATOM 932 O VAL A 62 33.485 31.737 33.849 1.00 0.00 O ATOM 933 CB VAL A 62 33.519 30.756 36.985 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.266 30.313 38.233 1.00 0.00 C ATOM 935 CG2 VAL A 62 33.075 32.206 37.105 1.00 0.00 C ATOM 0 H VAL A 62 35.226 32.461 35.407 1.00 0.00 H new ATOM 0 HA VAL A 62 34.846 29.571 35.762 1.00 0.00 H new ATOM 0 HB VAL A 62 32.629 30.134 36.884 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.631 30.456 39.107 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.530 29.259 38.144 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.174 30.906 38.343 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.456 32.325 37.994 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.951 32.849 37.185 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.499 32.484 36.222 1.00 0.00 H new ATOM 945 N GLU A 63 32.823 29.608 34.156 1.00 0.00 N ATOM 946 CA GLU A 63 31.949 29.596 32.988 1.00 0.00 C ATOM 947 C GLU A 63 30.512 29.271 33.386 1.00 0.00 C ATOM 948 O GLU A 63 30.263 28.724 34.461 1.00 0.00 O ATOM 949 CB GLU A 63 32.448 28.578 31.961 1.00 0.00 C ATOM 950 CG GLU A 63 31.896 28.803 30.563 1.00 0.00 C ATOM 951 CD GLU A 63 32.731 28.130 29.491 1.00 0.00 C ATOM 952 OE1 GLU A 63 32.593 26.901 29.317 1.00 0.00 O ATOM 953 OE2 GLU A 63 33.521 28.831 28.826 1.00 0.00 O ATOM 0 H GLU A 63 32.844 28.731 34.677 1.00 0.00 H new ATOM 0 HA GLU A 63 31.968 30.591 32.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.537 28.616 31.923 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.176 27.576 32.293 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.875 28.424 30.514 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.849 29.873 30.363 1.00 0.00 H new ATOM 960 N PHE A 64 29.571 29.613 32.513 1.00 0.00 N ATOM 961 CA PHE A 64 28.159 29.360 32.773 1.00 0.00 C ATOM 962 C PHE A 64 27.313 29.677 31.543 1.00 0.00 C ATOM 963 O PHE A 64 27.809 30.229 30.560 1.00 0.00 O ATOM 964 CB PHE A 64 27.680 30.193 33.964 1.00 0.00 C ATOM 965 CG PHE A 64 27.963 31.661 33.820 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.089 32.484 33.129 1.00 0.00 C ATOM 967 CD2 PHE A 64 29.103 32.218 34.377 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.348 33.835 32.995 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.367 33.568 34.246 1.00 0.00 C ATOM 970 CZ PHE A 64 28.488 34.378 33.555 1.00 0.00 C ATOM 0 H PHE A 64 29.761 30.066 31.619 1.00 0.00 H new ATOM 0 HA PHE A 64 28.043 28.302 33.008 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.607 30.048 34.090 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.160 29.826 34.871 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.195 32.065 32.690 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.793 31.590 34.920 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.659 34.466 32.453 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.260 33.989 34.684 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.691 35.434 33.453 1.00 0.00 H new ATOM 980 N THR A 65 26.033 29.323 31.605 1.00 0.00 N ATOM 981 CA THR A 65 25.119 29.568 30.497 1.00 0.00 C ATOM 982 C THR A 65 23.811 30.178 30.988 1.00 0.00 C ATOM 983 O THR A 65 23.070 29.552 31.747 1.00 0.00 O ATOM 984 CB THR A 65 24.809 28.270 29.726 1.00 0.00 C ATOM 985 OG1 THR A 65 26.026 27.578 29.425 1.00 0.00 O ATOM 986 CG2 THR A 65 24.059 28.572 28.438 1.00 0.00 C ATOM 0 H THR A 65 25.606 28.866 32.411 1.00 0.00 H new ATOM 0 HA THR A 65 25.616 30.270 29.827 1.00 0.00 H new ATOM 0 HB THR A 65 24.179 27.641 30.355 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.821 26.754 28.936 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.851 27.641 27.911 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.120 29.073 28.673 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.667 29.219 27.806 1.00 0.00 H new ATOM 994 N ILE A 66 23.533 31.401 30.550 1.00 0.00 N ATOM 995 CA ILE A 66 22.312 32.094 30.944 1.00 0.00 C ATOM 996 C ILE A 66 21.116 31.605 30.135 1.00 0.00 C ATOM 997 O ILE A 66 21.219 31.376 28.930 1.00 0.00 O ATOM 998 CB ILE A 66 22.448 33.618 30.768 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.743 34.114 31.414 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.244 34.330 31.367 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.848 33.788 32.887 1.00 0.00 C ATOM 0 H ILE A 66 24.136 31.933 29.922 1.00 0.00 H new ATOM 0 HA ILE A 66 22.149 31.871 31.998 1.00 0.00 H new ATOM 0 HB ILE A 66 22.486 33.844 29.702 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.592 33.673 30.891 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.814 35.194 31.283 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.355 35.406 31.235 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.336 33.994 30.866 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.177 34.100 32.430 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.791 34.170 33.278 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.019 34.252 33.422 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.809 32.707 33.024 1.00 0.00 H new ATOM 1013 N LYS A 67 19.980 31.447 30.805 1.00 0.00 N ATOM 1014 CA LYS A 67 18.761 30.987 30.150 1.00 0.00 C ATOM 1015 C LYS A 67 17.623 31.981 30.359 1.00 0.00 C ATOM 1016 O LYS A 67 17.789 32.995 31.037 1.00 0.00 O ATOM 1017 CB LYS A 67 18.357 29.612 30.685 1.00 0.00 C ATOM 1018 CG LYS A 67 19.498 28.609 30.710 1.00 0.00 C ATOM 1019 CD LYS A 67 19.970 28.268 29.306 1.00 0.00 C ATOM 1020 CE LYS A 67 20.890 27.056 29.308 1.00 0.00 C ATOM 1021 NZ LYS A 67 21.259 26.638 27.927 1.00 0.00 N ATOM 0 H LYS A 67 19.878 31.631 31.803 1.00 0.00 H new ATOM 0 HA LYS A 67 18.960 30.909 29.081 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.963 29.726 31.695 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.549 29.215 30.070 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.329 29.016 31.286 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.174 27.700 31.217 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.108 28.071 28.669 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.494 29.123 28.879 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.794 27.287 29.871 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.399 26.228 29.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.886 25.810 27.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 20.398 26.393 27.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 21.750 27.419 27.447 1.00 0.00 H new ATOM 1129 N VAL A 74 19.882 35.255 36.099 1.00 0.00 N ATOM 1130 CA VAL A 74 20.773 34.494 36.967 1.00 0.00 C ATOM 1131 C VAL A 74 21.412 33.333 36.215 1.00 0.00 C ATOM 1132 O VAL A 74 20.770 32.687 35.387 1.00 0.00 O ATOM 1133 CB VAL A 74 20.025 33.946 38.197 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.407 35.083 38.997 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.963 32.944 37.771 1.00 0.00 C ATOM 0 HA VAL A 74 21.552 35.179 37.301 1.00 0.00 H new ATOM 0 HB VAL A 74 20.742 33.431 38.837 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.883 34.676 39.862 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.192 35.760 39.334 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.702 35.629 38.369 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.444 32.567 38.652 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.247 33.432 37.110 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.436 32.114 37.245 1.00 0.00 H new ATOM 1145 N ALA A 75 22.681 33.071 36.510 1.00 0.00 N ATOM 1146 CA ALA A 75 23.408 31.985 35.864 1.00 0.00 C ATOM 1147 C ALA A 75 23.153 30.657 36.570 1.00 0.00 C ATOM 1148 O ALA A 75 22.936 30.618 37.782 1.00 0.00 O ATOM 1149 CB ALA A 75 24.898 32.291 35.833 1.00 0.00 C ATOM 0 H ALA A 75 23.227 33.596 37.193 1.00 0.00 H new ATOM 0 HA ALA A 75 23.045 31.898 34.840 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.428 31.471 35.348 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.069 33.213 35.277 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.267 32.408 36.852 1.00 0.00 H new ATOM 1155 N THR A 76 23.180 29.570 35.806 1.00 0.00 N ATOM 1156 CA THR A 76 22.950 28.241 36.358 1.00 0.00 C ATOM 1157 C THR A 76 24.015 27.258 35.885 1.00 0.00 C ATOM 1158 O THR A 76 24.563 27.400 34.792 1.00 0.00 O ATOM 1159 CB THR A 76 21.561 27.703 35.968 1.00 0.00 C ATOM 1160 OG1 THR A 76 21.021 28.476 34.890 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.611 27.747 37.155 1.00 0.00 C ATOM 0 H THR A 76 23.359 29.584 34.802 1.00 0.00 H new ATOM 0 HA THR A 76 23.003 28.336 37.443 1.00 0.00 H new ATOM 0 HB THR A 76 21.673 26.666 35.651 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.138 28.126 34.647 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.636 27.362 36.855 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.010 27.134 37.963 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.505 28.776 37.498 1.00 0.00 H new ATOM 1169 N ASP A 77 24.302 26.260 36.714 1.00 0.00 N ATOM 1170 CA ASP A 77 25.300 25.251 36.379 1.00 0.00 C ATOM 1171 C ASP A 77 26.643 25.900 36.060 1.00 0.00 C ATOM 1172 O ASP A 77 27.117 25.844 34.925 1.00 0.00 O ATOM 1173 CB ASP A 77 24.829 24.412 35.190 1.00 0.00 C ATOM 1174 CG ASP A 77 23.561 23.639 35.493 1.00 0.00 C ATOM 1175 OD1 ASP A 77 23.601 22.753 36.373 1.00 0.00 O ATOM 1176 OD2 ASP A 77 22.528 23.920 34.850 1.00 0.00 O ATOM 0 H ASP A 77 23.858 26.128 37.623 1.00 0.00 H new ATOM 0 HA ASP A 77 25.428 24.601 37.244 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.657 25.065 34.334 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.617 23.715 34.906 1.00 0.00 H new ATOM 1181 N VAL A 78 27.251 26.518 37.068 1.00 0.00 N ATOM 1182 CA VAL A 78 28.539 27.178 36.895 1.00 0.00 C ATOM 1183 C VAL A 78 29.685 26.176 36.974 1.00 0.00 C ATOM 1184 O VAL A 78 29.693 25.294 37.833 1.00 0.00 O ATOM 1185 CB VAL A 78 28.755 28.274 37.955 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.128 28.910 37.794 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.658 29.324 37.867 1.00 0.00 C ATOM 0 H VAL A 78 26.872 26.575 38.013 1.00 0.00 H new ATOM 0 HA VAL A 78 28.529 27.637 35.906 1.00 0.00 H new ATOM 0 HB VAL A 78 28.708 27.814 38.942 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.262 29.682 38.552 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.898 28.148 37.912 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.208 29.356 36.803 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.827 30.091 38.623 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.671 29.781 36.878 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.690 28.854 38.037 1.00 0.00 H new ATOM 1197 N ARG A 79 30.652 26.318 36.073 1.00 0.00 N ATOM 1198 CA ARG A 79 31.803 25.425 36.041 1.00 0.00 C ATOM 1199 C ARG A 79 33.105 26.218 35.960 1.00 0.00 C ATOM 1200 O ARG A 79 33.282 27.052 35.072 1.00 0.00 O ATOM 1201 CB ARG A 79 31.701 24.470 34.850 1.00 0.00 C ATOM 1202 CG ARG A 79 30.799 23.274 35.104 1.00 0.00 C ATOM 1203 CD ARG A 79 30.205 22.739 33.811 1.00 0.00 C ATOM 1204 NE ARG A 79 29.924 21.307 33.888 1.00 0.00 N ATOM 1205 CZ ARG A 79 28.924 20.792 34.595 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.115 21.587 35.282 1.00 0.00 N ATOM 1207 NH2 ARG A 79 28.732 19.479 34.616 1.00 0.00 N ATOM 0 H ARG A 79 30.661 27.043 35.356 1.00 0.00 H new ATOM 0 HA ARG A 79 31.807 24.846 36.964 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.327 25.019 33.986 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.699 24.114 34.594 1.00 0.00 H new ATOM 0 HG2 ARG A 79 31.368 22.486 35.597 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.996 23.560 35.783 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.284 23.277 33.585 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.895 22.929 32.989 1.00 0.00 H new ATOM 0 HE ARG A 79 30.528 20.668 33.371 1.00 0.00 H new ATOM 0 HH11 ARG A 79 28.260 22.597 35.268 1.00 0.00 H new ATOM 0 HH12 ARG A 79 27.348 21.189 35.824 1.00 0.00 H new ATOM 0 HH21 ARG A 79 29.352 18.864 34.089 1.00 0.00 H new ATOM 0 HH22 ARG A 79 27.964 19.085 35.159 1.00 0.00 H new ATOM 1221 N LEU A 80 34.012 25.952 36.894 1.00 0.00 N ATOM 1222 CA LEU A 80 35.297 26.641 36.929 1.00 0.00 C ATOM 1223 C LEU A 80 36.022 26.511 35.593 1.00 0.00 C ATOM 1224 O LEU A 80 35.976 25.462 34.949 1.00 0.00 O ATOM 1225 CB LEU A 80 36.169 26.078 38.053 1.00 0.00 C ATOM 1226 CG LEU A 80 36.253 26.921 39.325 1.00 0.00 C ATOM 1227 CD1 LEU A 80 37.017 26.178 40.409 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.907 28.264 39.033 1.00 0.00 C ATOM 0 H LEU A 80 33.881 25.265 37.636 1.00 0.00 H new ATOM 0 HA LEU A 80 35.110 27.698 37.118 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.790 25.091 38.320 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.179 25.938 37.667 1.00 0.00 H new ATOM 0 HG LEU A 80 35.240 27.103 39.684 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.066 26.794 41.307 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.506 25.243 40.638 1.00 0.00 H new ATOM 0 HD13 LEU A 80 38.027 25.964 40.060 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.958 28.851 39.950 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.914 28.102 38.649 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.318 28.802 38.291 1.00 0.00 H new ATOM 1240 N LEU A 81 36.693 27.582 35.183 1.00 0.00 N ATOM 1241 CA LEU A 81 37.430 27.587 33.925 1.00 0.00 C ATOM 1242 C LEU A 81 38.842 27.043 34.119 1.00 0.00 C ATOM 1243 O LEU A 81 39.379 27.021 35.227 1.00 0.00 O ATOM 1244 CB LEU A 81 37.492 29.004 33.353 1.00 0.00 C ATOM 1245 CG LEU A 81 36.271 29.458 32.551 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.389 30.930 32.187 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.110 28.608 31.299 1.00 0.00 C ATOM 0 H LEU A 81 36.742 28.458 35.704 1.00 0.00 H new ATOM 0 HA LEU A 81 36.904 26.941 33.222 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.640 29.701 34.178 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.371 29.078 32.712 1.00 0.00 H new ATOM 0 HG LEU A 81 35.384 29.328 33.171 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.512 31.235 31.617 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.455 31.526 33.097 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.285 31.085 31.586 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.237 28.945 30.740 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.999 28.706 30.676 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.979 27.564 31.583 1.00 0.00 H new ATOM 1259 N PRO A 82 39.461 26.595 33.016 1.00 0.00 N ATOM 1260 CA PRO A 82 40.820 26.046 33.039 1.00 0.00 C ATOM 1261 C PRO A 82 41.872 27.114 33.314 1.00 0.00 C ATOM 1262 O PRO A 82 41.590 28.309 33.240 1.00 0.00 O ATOM 1263 CB PRO A 82 40.994 25.474 31.629 1.00 0.00 C ATOM 1264 CG PRO A 82 40.055 26.260 30.782 1.00 0.00 C ATOM 1265 CD PRO A 82 38.881 26.591 31.662 1.00 0.00 C ATOM 0 HA PRO A 82 40.949 25.310 33.832 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.022 25.580 31.283 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.756 24.411 31.601 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.531 27.167 30.410 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.740 25.685 29.911 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.448 27.558 31.407 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.086 25.851 31.567 1.00 0.00 H new