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 Set 1.1: A 26 MET CE :methyl 172:sc= -0.133 (180deg=-0.136) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.14) 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 41:sc= 1.12 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 29.323 31.520 27.847 1.00 0.00 N ATOM 272 CA CYS A 19 29.554 32.803 28.500 1.00 0.00 C ATOM 273 C CYS A 19 30.350 32.622 29.789 1.00 0.00 C ATOM 274 O CYS A 19 29.967 31.843 30.661 1.00 0.00 O ATOM 275 CB CYS A 19 28.223 33.493 28.802 1.00 0.00 C ATOM 276 SG CYS A 19 27.117 33.618 27.377 1.00 0.00 S ATOM 0 HA CYS A 19 30.133 33.428 27.821 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.715 32.946 29.596 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.423 34.495 29.182 1.00 0.00 H new ATOM 0 HG CYS A 19 26.017 34.214 27.732 1.00 0.00 H new ATOM 282 N GLN A 20 31.459 33.346 29.900 1.00 0.00 N ATOM 283 CA GLN A 20 32.310 33.262 31.081 1.00 0.00 C ATOM 284 C GLN A 20 32.657 34.653 31.602 1.00 0.00 C ATOM 285 O GLN A 20 32.440 35.654 30.920 1.00 0.00 O ATOM 286 CB GLN A 20 33.592 32.491 30.759 1.00 0.00 C ATOM 287 CG GLN A 20 34.563 33.265 29.881 1.00 0.00 C ATOM 288 CD GLN A 20 35.050 32.455 28.696 1.00 0.00 C ATOM 289 OE1 GLN A 20 34.254 31.967 27.893 1.00 0.00 O ATOM 290 NE2 GLN A 20 36.365 32.309 28.579 1.00 0.00 N ATOM 0 H GLN A 20 31.789 33.997 29.187 1.00 0.00 H new ATOM 0 HA GLN A 20 31.760 32.730 31.857 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.090 32.226 31.691 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.329 31.558 30.261 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.078 34.172 29.521 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.419 33.577 30.480 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.988 32.731 29.268 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.752 31.775 27.800 1.00 0.00 H new ATOM 299 N GLY A 21 33.197 34.707 32.816 1.00 0.00 N ATOM 300 CA GLY A 21 33.564 35.980 33.407 1.00 0.00 C ATOM 301 C GLY A 21 34.565 35.828 34.536 1.00 0.00 C ATOM 302 O GLY A 21 35.401 34.924 34.517 1.00 0.00 O ATOM 0 H GLY A 21 33.387 33.892 33.400 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.985 36.627 32.637 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.668 36.474 33.784 1.00 0.00 H new ATOM 306 N VAL A 22 34.483 36.716 35.522 1.00 0.00 N ATOM 307 CA VAL A 22 35.389 36.676 36.663 1.00 0.00 C ATOM 308 C VAL A 22 34.640 36.928 37.968 1.00 0.00 C ATOM 309 O VAL A 22 33.893 37.899 38.090 1.00 0.00 O ATOM 310 CB VAL A 22 36.516 37.716 36.522 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.539 37.550 37.635 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.177 37.602 35.157 1.00 0.00 C ATOM 0 H VAL A 22 33.798 37.472 35.553 1.00 0.00 H new ATOM 0 HA VAL A 22 35.827 35.678 36.685 1.00 0.00 H new ATOM 0 HB VAL A 22 36.081 38.712 36.608 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.327 38.294 37.518 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.052 37.686 38.600 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.972 36.551 37.585 1.00 0.00 H new ATOM 0 HG21 VAL A 22 37.971 38.344 35.074 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.599 36.604 35.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.435 37.776 34.378 1.00 0.00 H new ATOM 322 N VAL A 23 34.846 36.048 38.942 1.00 0.00 N ATOM 323 CA VAL A 23 34.193 36.175 40.239 1.00 0.00 C ATOM 324 C VAL A 23 34.699 37.400 40.991 1.00 0.00 C ATOM 325 O VAL A 23 35.799 37.390 41.546 1.00 0.00 O ATOM 326 CB VAL A 23 34.419 34.923 41.107 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.603 35.007 42.388 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.073 33.664 40.325 1.00 0.00 C ATOM 0 H VAL A 23 35.461 35.238 38.857 1.00 0.00 H new ATOM 0 HA VAL A 23 33.126 36.286 40.046 1.00 0.00 H new ATOM 0 HB VAL A 23 35.473 34.876 41.379 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.775 34.114 42.988 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.904 35.888 42.954 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.544 35.079 42.141 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.238 32.789 40.953 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.027 33.700 40.021 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.706 33.600 39.440 1.00 0.00 H new ATOM 338 N CYS A 24 33.891 38.454 41.008 1.00 0.00 N ATOM 339 CA CYS A 24 34.257 39.688 41.693 1.00 0.00 C ATOM 340 C CYS A 24 33.727 39.694 43.123 1.00 0.00 C ATOM 341 O CYS A 24 34.408 40.141 44.046 1.00 0.00 O ATOM 342 CB CYS A 24 33.717 40.899 40.930 1.00 0.00 C ATOM 343 SG CYS A 24 34.445 42.475 41.436 1.00 0.00 S ATOM 0 H CYS A 24 32.978 38.479 40.555 1.00 0.00 H new ATOM 0 HA CYS A 24 35.345 39.746 41.728 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.897 40.753 39.865 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.637 40.949 41.067 1.00 0.00 H new ATOM 0 HG CYS A 24 33.927 43.438 40.733 1.00 0.00 H new ATOM 349 N ALA A 25 32.507 39.198 43.298 1.00 0.00 N ATOM 350 CA ALA A 25 31.886 39.146 44.616 1.00 0.00 C ATOM 351 C ALA A 25 32.165 37.813 45.302 1.00 0.00 C ATOM 352 O ALA A 25 32.071 36.754 44.682 1.00 0.00 O ATOM 353 CB ALA A 25 30.387 39.379 44.502 1.00 0.00 C ATOM 0 H ALA A 25 31.929 38.827 42.544 1.00 0.00 H new ATOM 0 HA ALA A 25 32.321 39.937 45.227 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.936 39.338 45.493 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.204 40.359 44.061 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.946 38.608 43.870 1.00 0.00 H new ATOM 359 N MET A 26 32.508 37.873 46.584 1.00 0.00 N ATOM 360 CA MET A 26 32.801 36.669 47.354 1.00 0.00 C ATOM 361 C MET A 26 32.001 36.648 48.653 1.00 0.00 C ATOM 362 O MET A 26 32.278 37.413 49.577 1.00 0.00 O ATOM 363 CB MET A 26 34.297 36.585 47.661 1.00 0.00 C ATOM 364 CG MET A 26 35.028 35.535 46.840 1.00 0.00 C ATOM 365 SD MET A 26 35.940 34.364 47.864 1.00 0.00 S ATOM 366 CE MET A 26 35.000 32.866 47.583 1.00 0.00 C ATOM 0 H MET A 26 32.590 38.742 47.112 1.00 0.00 H new ATOM 0 HA MET A 26 32.512 35.805 46.755 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.752 37.559 47.479 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.430 36.364 48.720 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.308 34.992 46.228 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.719 36.029 46.157 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.520 32.020 48.034 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.012 32.967 48.033 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.895 32.698 46.511 1.00 0.00 H new ATOM 376 N LYS A 27 31.008 35.767 48.717 1.00 0.00 N ATOM 377 CA LYS A 27 30.169 35.644 49.902 1.00 0.00 C ATOM 378 C LYS A 27 30.037 34.185 50.327 1.00 0.00 C ATOM 379 O LYS A 27 30.519 33.284 49.642 1.00 0.00 O ATOM 380 CB LYS A 27 28.783 36.235 49.634 1.00 0.00 C ATOM 381 CG LYS A 27 28.261 37.100 50.769 1.00 0.00 C ATOM 382 CD LYS A 27 28.202 38.565 50.371 1.00 0.00 C ATOM 383 CE LYS A 27 28.677 39.468 51.499 1.00 0.00 C ATOM 384 NZ LYS A 27 30.134 39.757 51.402 1.00 0.00 N ATOM 0 H LYS A 27 30.765 35.127 47.961 1.00 0.00 H new ATOM 0 HA LYS A 27 30.644 36.198 50.712 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.821 36.831 48.722 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.079 35.422 49.454 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.267 36.760 51.059 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.904 36.985 51.641 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.820 38.728 49.488 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.180 38.828 50.098 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.119 40.404 51.474 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.464 38.995 52.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.418 40.375 52.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.669 38.866 51.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.334 40.232 50.499 1.00 0.00 H new ATOM 398 N GLU A 28 29.381 33.960 51.461 1.00 0.00 N ATOM 399 CA GLU A 28 29.186 32.610 51.976 1.00 0.00 C ATOM 400 C GLU A 28 27.780 32.106 51.663 1.00 0.00 C ATOM 401 O GLU A 28 27.172 31.396 52.463 1.00 0.00 O ATOM 402 CB GLU A 28 29.427 32.576 53.486 1.00 0.00 C ATOM 403 CG GLU A 28 30.008 31.262 53.981 1.00 0.00 C ATOM 404 CD GLU A 28 30.798 31.419 55.265 1.00 0.00 C ATOM 405 OE1 GLU A 28 31.630 32.348 55.339 1.00 0.00 O ATOM 406 OE2 GLU A 28 30.585 30.615 56.196 1.00 0.00 O ATOM 0 H GLU A 28 28.976 34.695 52.040 1.00 0.00 H new ATOM 0 HA GLU A 28 29.906 31.955 51.486 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.104 33.387 53.756 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.484 32.763 54.000 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.199 30.549 54.142 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.654 30.842 53.210 1.00 0.00 H new ATOM 413 N ALA A 29 27.271 32.479 50.493 1.00 0.00 N ATOM 414 CA ALA A 29 25.938 32.064 50.074 1.00 0.00 C ATOM 415 C ALA A 29 25.751 32.256 48.572 1.00 0.00 C ATOM 416 O ALA A 29 25.242 31.373 47.882 1.00 0.00 O ATOM 417 CB ALA A 29 24.878 32.838 50.843 1.00 0.00 C ATOM 0 H ALA A 29 27.761 33.067 49.819 1.00 0.00 H new ATOM 0 HA ALA A 29 25.828 31.002 50.295 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.888 32.518 50.520 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.991 32.647 51.910 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.995 33.905 50.651 1.00 0.00 H new ATOM 423 N PHE A 30 26.165 33.416 48.073 1.00 0.00 N ATOM 424 CA PHE A 30 26.041 33.724 46.653 1.00 0.00 C ATOM 425 C PHE A 30 27.085 34.753 46.227 1.00 0.00 C ATOM 426 O PHE A 30 27.742 35.370 47.064 1.00 0.00 O ATOM 427 CB PHE A 30 24.637 34.248 46.343 1.00 0.00 C ATOM 428 CG PHE A 30 24.163 35.296 47.309 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.766 36.543 47.351 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.112 35.035 48.174 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.332 37.509 48.239 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.673 35.998 49.063 1.00 0.00 C ATOM 433 CZ PHE A 30 23.283 37.236 49.095 1.00 0.00 C ATOM 0 H PHE A 30 26.589 34.158 48.630 1.00 0.00 H new ATOM 0 HA PHE A 30 26.210 32.805 46.092 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.627 34.663 45.335 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.936 33.413 46.351 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.585 36.763 46.682 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.631 34.068 48.153 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.812 38.476 48.264 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.853 35.782 49.732 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.940 37.990 49.788 1.00 0.00 H new ATOM 443 N GLY A 31 27.233 34.930 44.917 1.00 0.00 N ATOM 444 CA GLY A 31 28.198 35.883 44.402 1.00 0.00 C ATOM 445 C GLY A 31 27.808 36.425 43.041 1.00 0.00 C ATOM 446 O GLY A 31 26.743 36.099 42.517 1.00 0.00 O ATOM 0 H GLY A 31 26.702 34.430 44.204 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.297 36.711 45.104 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.175 35.405 44.333 1.00 0.00 H new ATOM 450 N PHE A 32 28.672 37.256 42.467 1.00 0.00 N ATOM 451 CA PHE A 32 28.411 37.847 41.160 1.00 0.00 C ATOM 452 C PHE A 32 29.617 37.687 40.239 1.00 0.00 C ATOM 453 O PHE A 32 30.752 37.568 40.702 1.00 0.00 O ATOM 454 CB PHE A 32 28.061 39.330 41.307 1.00 0.00 C ATOM 455 CG PHE A 32 26.824 39.576 42.123 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.884 39.595 43.507 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.602 39.788 41.505 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.747 39.820 44.260 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.462 40.015 42.253 1.00 0.00 C ATOM 460 CZ PHE A 32 24.535 40.032 43.632 1.00 0.00 C ATOM 0 H PHE A 32 29.559 37.535 42.887 1.00 0.00 H new ATOM 0 HA PHE A 32 27.565 37.323 40.716 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.901 39.849 41.769 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.925 39.763 40.316 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.830 39.432 44.003 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.540 39.776 40.427 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.806 39.830 45.338 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.515 40.179 41.760 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.646 40.211 44.219 1.00 0.00 H new ATOM 470 N ILE A 33 29.363 37.683 38.935 1.00 0.00 N ATOM 471 CA ILE A 33 30.427 37.538 37.950 1.00 0.00 C ATOM 472 C ILE A 33 30.541 38.782 37.076 1.00 0.00 C ATOM 473 O ILE A 33 29.536 39.320 36.613 1.00 0.00 O ATOM 474 CB ILE A 33 30.196 36.310 37.049 1.00 0.00 C ATOM 475 CG1 ILE A 33 29.958 35.062 37.902 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.383 36.105 36.120 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.586 33.839 37.093 1.00 0.00 C ATOM 0 H ILE A 33 28.429 37.779 38.536 1.00 0.00 H new ATOM 0 HA ILE A 33 31.355 37.402 38.506 1.00 0.00 H new ATOM 0 HB ILE A 33 29.309 36.485 36.440 1.00 0.00 H new ATOM 0 HG12 ILE A 33 30.859 34.847 38.477 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.164 35.268 38.620 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.205 35.234 35.490 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.511 36.987 35.493 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.285 35.947 36.711 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.432 32.993 37.763 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.668 34.035 36.539 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.389 33.607 36.394 1.00 0.00 H new ATOM 489 N GLU A 34 31.771 39.232 36.853 1.00 0.00 N ATOM 490 CA GLU A 34 32.016 40.412 36.033 1.00 0.00 C ATOM 491 C GLU A 34 32.459 40.016 34.627 1.00 0.00 C ATOM 492 O GLU A 34 33.155 39.017 34.443 1.00 0.00 O ATOM 493 CB GLU A 34 33.079 41.301 36.683 1.00 0.00 C ATOM 494 CG GLU A 34 32.577 42.691 37.036 1.00 0.00 C ATOM 495 CD GLU A 34 31.416 42.662 38.012 1.00 0.00 C ATOM 496 OE1 GLU A 34 31.521 41.955 39.036 1.00 0.00 O ATOM 497 OE2 GLU A 34 30.404 43.345 37.751 1.00 0.00 O ATOM 0 H GLU A 34 32.614 38.797 37.229 1.00 0.00 H new ATOM 0 HA GLU A 34 31.083 40.970 35.957 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.443 40.815 37.588 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.928 41.392 36.006 1.00 0.00 H new ATOM 0 HG2 GLU A 34 33.394 43.270 37.466 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.268 43.204 36.125 1.00 0.00 H new ATOM 601 N GLU A 41 26.260 41.443 34.051 1.00 0.00 N ATOM 602 CA GLU A 41 26.522 40.550 35.174 1.00 0.00 C ATOM 603 C GLU A 41 25.288 39.714 35.503 1.00 0.00 C ATOM 604 O GLU A 41 24.184 40.013 35.048 1.00 0.00 O ATOM 605 CB GLU A 41 26.950 41.353 36.404 1.00 0.00 C ATOM 606 CG GLU A 41 25.806 42.096 37.075 1.00 0.00 C ATOM 607 CD GLU A 41 26.218 43.464 37.584 1.00 0.00 C ATOM 608 OE1 GLU A 41 27.010 43.526 38.546 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.747 44.473 37.018 1.00 0.00 O ATOM 0 HA GLU A 41 27.331 39.877 34.889 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.407 40.678 37.127 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.716 42.071 36.110 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.985 42.208 36.366 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.430 41.501 37.907 1.00 0.00 H new ATOM 616 N ILE A 42 25.486 38.666 36.296 1.00 0.00 N ATOM 617 CA ILE A 42 24.390 37.787 36.686 1.00 0.00 C ATOM 618 C ILE A 42 24.558 37.304 38.123 1.00 0.00 C ATOM 619 O ILE A 42 25.627 37.450 38.717 1.00 0.00 O ATOM 620 CB ILE A 42 24.289 36.565 35.754 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.324 35.509 36.148 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.480 36.988 34.305 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.747 36.021 36.129 1.00 0.00 C ATOM 0 H ILE A 42 26.394 38.405 36.681 1.00 0.00 H new ATOM 0 HA ILE A 42 23.473 38.371 36.606 1.00 0.00 H new ATOM 0 HB ILE A 42 23.296 36.128 35.857 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.092 35.140 37.147 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.243 34.661 35.468 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.406 36.114 33.658 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.709 37.708 34.032 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.462 37.445 34.186 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.426 35.219 36.419 1.00 0.00 H new ATOM 0 HD12 ILE A 42 26.997 36.363 35.125 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.845 36.850 36.830 1.00 0.00 H new ATOM 635 N PHE A 43 23.497 36.727 38.675 1.00 0.00 N ATOM 636 CA PHE A 43 23.526 36.221 40.042 1.00 0.00 C ATOM 637 C PHE A 43 23.574 34.696 40.057 1.00 0.00 C ATOM 638 O PHE A 43 22.659 34.030 39.572 1.00 0.00 O ATOM 639 CB PHE A 43 22.301 36.711 40.817 1.00 0.00 C ATOM 640 CG PHE A 43 22.176 36.107 42.186 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.518 34.901 42.368 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.718 36.744 43.291 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.401 34.344 43.628 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.605 36.190 44.553 1.00 0.00 C ATOM 645 CZ PHE A 43 21.946 34.988 44.721 1.00 0.00 C ATOM 0 H PHE A 43 22.605 36.598 38.197 1.00 0.00 H new ATOM 0 HA PHE A 43 24.427 36.600 40.523 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.350 37.796 40.911 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.403 36.481 40.244 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.092 34.391 41.517 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.235 37.684 43.165 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.883 33.405 43.757 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.032 36.697 45.406 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.857 34.553 45.705 1.00 0.00 H new ATOM 655 N PHE A 44 24.648 34.149 40.616 1.00 0.00 N ATOM 656 CA PHE A 44 24.818 32.702 40.692 1.00 0.00 C ATOM 657 C PHE A 44 24.902 32.241 42.144 1.00 0.00 C ATOM 658 O PHE A 44 25.535 32.890 42.978 1.00 0.00 O ATOM 659 CB PHE A 44 26.076 32.274 39.935 1.00 0.00 C ATOM 660 CG PHE A 44 27.352 32.648 40.633 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.911 33.904 40.457 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.993 31.745 41.466 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.086 34.251 41.098 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.168 32.086 42.110 1.00 0.00 C ATOM 665 CZ PHE A 44 29.714 33.341 41.926 1.00 0.00 C ATOM 0 H PHE A 44 25.414 34.685 41.023 1.00 0.00 H new ATOM 0 HA PHE A 44 23.949 32.234 40.230 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.053 31.194 39.790 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.066 32.728 38.944 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.423 34.620 39.812 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.569 30.763 41.614 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.512 35.232 40.951 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.658 31.372 42.756 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.631 33.611 42.429 1.00 0.00 H new ATOM 675 N HIS A 45 24.259 31.116 42.440 1.00 0.00 N ATOM 676 CA HIS A 45 24.261 30.567 43.791 1.00 0.00 C ATOM 677 C HIS A 45 25.300 29.457 43.925 1.00 0.00 C ATOM 678 O HIS A 45 25.409 28.588 43.061 1.00 0.00 O ATOM 679 CB HIS A 45 22.875 30.029 44.148 1.00 0.00 C ATOM 680 CG HIS A 45 22.425 30.398 45.528 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.705 29.632 46.640 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.714 31.460 45.973 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.183 30.207 47.709 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.576 31.317 47.332 1.00 0.00 N ATOM 0 H HIS A 45 23.730 30.567 41.762 1.00 0.00 H new ATOM 0 HA HIS A 45 24.520 31.369 44.482 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.151 30.406 43.426 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.881 28.943 44.055 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.327 32.269 45.372 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.243 29.832 48.720 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.085 31.963 47.949 1.00 0.00 H new ATOM 692 N TYR A 46 26.061 29.495 45.013 1.00 0.00 N ATOM 693 CA TYR A 46 27.093 28.495 45.259 1.00 0.00 C ATOM 694 C TYR A 46 26.511 27.086 45.204 1.00 0.00 C ATOM 695 O TYR A 46 27.193 26.135 44.822 1.00 0.00 O ATOM 696 CB TYR A 46 27.752 28.735 46.619 1.00 0.00 C ATOM 697 CG TYR A 46 28.901 29.716 46.571 1.00 0.00 C ATOM 698 CD1 TYR A 46 30.146 29.334 46.084 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.743 31.024 47.011 1.00 0.00 C ATOM 700 CE1 TYR A 46 31.199 30.227 46.039 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.790 31.924 46.968 1.00 0.00 C ATOM 702 CZ TYR A 46 31.016 31.521 46.482 1.00 0.00 C ATOM 703 OH TYR A 46 32.063 32.413 46.438 1.00 0.00 O ATOM 0 H TYR A 46 25.983 30.208 45.739 1.00 0.00 H new ATOM 0 HA TYR A 46 27.846 28.588 44.477 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.000 29.103 47.318 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.113 27.784 47.011 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.292 28.322 45.735 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.785 31.343 47.393 1.00 0.00 H new ATOM 0 HE1 TYR A 46 32.160 29.914 45.659 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.649 32.938 47.313 1.00 0.00 H new ATOM 0 HH TYR A 46 31.768 33.281 46.785 1.00 0.00 H new ATOM 713 N SER A 47 25.245 26.961 45.589 1.00 0.00 N ATOM 714 CA SER A 47 24.570 25.668 45.587 1.00 0.00 C ATOM 715 C SER A 47 24.657 25.012 44.212 1.00 0.00 C ATOM 716 O SER A 47 24.742 23.789 44.102 1.00 0.00 O ATOM 717 CB SER A 47 23.105 25.834 45.993 1.00 0.00 C ATOM 718 OG SER A 47 22.407 24.604 45.898 1.00 0.00 O ATOM 0 H SER A 47 24.666 27.739 45.906 1.00 0.00 H new ATOM 0 HA SER A 47 25.070 25.024 46.310 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.048 26.210 47.014 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.629 26.576 45.353 1.00 0.00 H new ATOM 0 HG SER A 47 21.473 24.736 46.164 1.00 0.00 H new ATOM 724 N GLU A 48 24.636 25.834 43.168 1.00 0.00 N ATOM 725 CA GLU A 48 24.712 25.334 41.801 1.00 0.00 C ATOM 726 C GLU A 48 26.163 25.236 41.337 1.00 0.00 C ATOM 727 O GLU A 48 26.497 24.421 40.476 1.00 0.00 O ATOM 728 CB GLU A 48 23.923 26.243 40.857 1.00 0.00 C ATOM 729 CG GLU A 48 22.490 25.790 40.631 1.00 0.00 C ATOM 730 CD GLU A 48 21.561 26.218 41.750 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.638 27.391 42.169 1.00 0.00 O ATOM 732 OE2 GLU A 48 20.756 25.379 42.206 1.00 0.00 O ATOM 0 H GLU A 48 24.567 26.849 43.243 1.00 0.00 H new ATOM 0 HA GLU A 48 24.275 24.336 41.782 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.916 27.255 41.263 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.436 26.288 39.897 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.128 26.198 39.687 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.466 24.704 40.539 1.00 0.00 H new ATOM 739 N PHE A 49 27.019 26.073 41.913 1.00 0.00 N ATOM 740 CA PHE A 49 28.434 26.082 41.558 1.00 0.00 C ATOM 741 C PHE A 49 29.030 24.682 41.661 1.00 0.00 C ATOM 742 O PHE A 49 29.005 24.060 42.724 1.00 0.00 O ATOM 743 CB PHE A 49 29.202 27.045 42.466 1.00 0.00 C ATOM 744 CG PHE A 49 30.689 27.007 42.258 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.224 27.023 40.980 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.553 26.954 43.340 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.592 26.988 40.785 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.921 26.919 43.151 1.00 0.00 C ATOM 749 CZ PHE A 49 33.441 26.935 41.872 1.00 0.00 C ATOM 0 H PHE A 49 26.758 26.753 42.627 1.00 0.00 H new ATOM 0 HA PHE A 49 28.522 26.419 40.525 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.844 28.060 42.291 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.982 26.804 43.506 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.564 27.063 40.126 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.152 26.940 44.343 1.00 0.00 H new ATOM 0 HE1 PHE A 49 32.996 27.002 39.784 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.583 26.879 44.003 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.510 26.906 41.722 1.00 0.00 H new ATOM 759 N LYS A 50 29.567 24.190 40.550 1.00 0.00 N ATOM 760 CA LYS A 50 30.171 22.864 40.513 1.00 0.00 C ATOM 761 C LYS A 50 31.692 22.960 40.455 1.00 0.00 C ATOM 762 O LYS A 50 32.294 22.809 39.393 1.00 0.00 O ATOM 763 CB LYS A 50 29.653 22.078 39.305 1.00 0.00 C ATOM 764 CG LYS A 50 28.146 22.151 39.133 1.00 0.00 C ATOM 765 CD LYS A 50 27.420 21.507 40.303 1.00 0.00 C ATOM 766 CE LYS A 50 27.619 20.000 40.321 1.00 0.00 C ATOM 767 NZ LYS A 50 26.546 19.307 41.086 1.00 0.00 N ATOM 0 H LYS A 50 29.596 24.691 39.662 1.00 0.00 H new ATOM 0 HA LYS A 50 29.892 22.340 41.427 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.132 22.458 38.403 1.00 0.00 H new ATOM 0 HB3 LYS A 50 29.948 21.034 39.408 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.839 23.193 39.042 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.860 21.652 38.207 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.783 21.934 41.238 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.356 21.734 40.241 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.636 19.624 39.298 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.588 19.767 40.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.718 18.281 41.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.546 19.647 42.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.624 19.508 40.650 1.00 0.00 H new ATOM 781 N GLY A 51 32.309 23.211 41.606 1.00 0.00 N ATOM 782 CA GLY A 51 33.754 23.322 41.665 1.00 0.00 C ATOM 783 C GLY A 51 34.298 23.090 43.061 1.00 0.00 C ATOM 784 O GLY A 51 33.810 22.225 43.789 1.00 0.00 O ATOM 0 H GLY A 51 31.833 23.339 42.499 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.199 22.600 40.981 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.053 24.312 41.322 1.00 0.00 H new ATOM 788 N ASP A 52 35.311 23.863 43.435 1.00 0.00 N ATOM 789 CA ASP A 52 35.922 23.738 44.754 1.00 0.00 C ATOM 790 C ASP A 52 35.608 24.956 45.616 1.00 0.00 C ATOM 791 O ASP A 52 36.314 25.965 45.566 1.00 0.00 O ATOM 792 CB ASP A 52 37.436 23.566 44.623 1.00 0.00 C ATOM 793 CG ASP A 52 37.812 22.453 43.666 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.189 21.373 43.737 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.730 22.661 42.845 1.00 0.00 O ATOM 0 H ASP A 52 35.727 24.583 42.844 1.00 0.00 H new ATOM 0 HA ASP A 52 35.505 22.856 45.239 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.876 24.502 44.278 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.861 23.356 45.605 1.00 0.00 H new ATOM 800 N LEU A 53 34.544 24.857 46.406 1.00 0.00 N ATOM 801 CA LEU A 53 34.135 25.952 47.279 1.00 0.00 C ATOM 802 C LEU A 53 35.167 26.186 48.378 1.00 0.00 C ATOM 803 O LEU A 53 35.157 27.223 49.041 1.00 0.00 O ATOM 804 CB LEU A 53 32.770 25.652 47.901 1.00 0.00 C ATOM 805 CG LEU A 53 31.667 26.674 47.624 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.421 25.983 47.092 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.344 27.464 48.884 1.00 0.00 C ATOM 0 H LEU A 53 33.949 24.030 46.460 1.00 0.00 H new ATOM 0 HA LEU A 53 34.061 26.857 46.676 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.435 24.679 47.541 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.896 25.567 48.980 1.00 0.00 H new ATOM 0 HG LEU A 53 32.024 27.369 46.864 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.647 26.726 46.901 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.661 25.462 46.165 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.061 25.265 47.829 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.557 28.187 48.669 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.007 26.782 49.665 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.237 27.990 49.223 1.00 0.00 H new ATOM 819 N GLU A 54 36.057 25.217 48.563 1.00 0.00 N ATOM 820 CA GLU A 54 37.097 25.319 49.581 1.00 0.00 C ATOM 821 C GLU A 54 38.218 26.247 49.122 1.00 0.00 C ATOM 822 O GLU A 54 38.781 27.000 49.917 1.00 0.00 O ATOM 823 CB GLU A 54 37.664 23.935 49.903 1.00 0.00 C ATOM 824 CG GLU A 54 38.216 23.206 48.690 1.00 0.00 C ATOM 825 CD GLU A 54 38.804 21.853 49.039 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.021 20.903 49.251 1.00 0.00 O ATOM 827 OE2 GLU A 54 40.047 21.744 49.102 1.00 0.00 O ATOM 0 H GLU A 54 36.079 24.353 48.022 1.00 0.00 H new ATOM 0 HA GLU A 54 36.649 25.738 50.482 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.456 24.040 50.645 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.881 23.327 50.356 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.420 23.074 47.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 38.983 23.821 48.220 1.00 0.00 H new ATOM 834 N THR A 55 38.538 26.186 47.833 1.00 0.00 N ATOM 835 CA THR A 55 39.593 27.018 47.268 1.00 0.00 C ATOM 836 C THR A 55 39.094 27.784 46.048 1.00 0.00 C ATOM 837 O THR A 55 39.209 27.312 44.916 1.00 0.00 O ATOM 838 CB THR A 55 40.818 26.175 46.865 1.00 0.00 C ATOM 839 OG1 THR A 55 40.453 25.235 45.849 1.00 0.00 O ATOM 840 CG2 THR A 55 41.385 25.436 48.067 1.00 0.00 C ATOM 0 H THR A 55 38.082 25.569 47.161 1.00 0.00 H new ATOM 0 HA THR A 55 39.887 27.726 48.043 1.00 0.00 H new ATOM 0 HB THR A 55 41.583 26.848 46.478 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.859 25.668 45.201 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.249 24.848 47.758 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.689 26.156 48.827 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.624 24.774 48.479 1.00 0.00 H new ATOM 848 N LEU A 56 38.540 28.968 46.285 1.00 0.00 N ATOM 849 CA LEU A 56 38.024 29.801 45.204 1.00 0.00 C ATOM 850 C LEU A 56 38.265 31.279 45.493 1.00 0.00 C ATOM 851 O LEU A 56 37.441 31.939 46.126 1.00 0.00 O ATOM 852 CB LEU A 56 36.529 29.546 45.007 1.00 0.00 C ATOM 853 CG LEU A 56 35.801 30.510 44.069 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.220 30.269 42.626 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.294 30.365 44.220 1.00 0.00 C ATOM 0 H LEU A 56 38.437 29.373 47.216 1.00 0.00 H new ATOM 0 HA LEU A 56 38.555 29.537 44.290 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.401 28.533 44.625 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.043 29.583 45.982 1.00 0.00 H new ATOM 0 HG LEU A 56 36.077 31.529 44.341 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.692 30.964 41.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.294 30.424 42.528 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.974 29.246 42.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.792 31.058 43.545 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.000 29.344 43.975 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.008 30.588 45.248 1.00 0.00 H new ATOM 867 N GLN A 57 39.398 31.792 45.024 1.00 0.00 N ATOM 868 CA GLN A 57 39.746 33.193 45.231 1.00 0.00 C ATOM 869 C GLN A 57 41.083 33.524 44.576 1.00 0.00 C ATOM 870 O GLN A 57 41.900 32.647 44.299 1.00 0.00 O ATOM 871 CB GLN A 57 39.805 33.509 46.727 1.00 0.00 C ATOM 872 CG GLN A 57 40.298 32.348 47.575 1.00 0.00 C ATOM 873 CD GLN A 57 41.022 32.806 48.826 1.00 0.00 C ATOM 874 OE1 GLN A 57 42.233 33.031 48.809 1.00 0.00 O ATOM 875 NE2 GLN A 57 40.283 32.947 49.920 1.00 0.00 N ATOM 0 H GLN A 57 40.090 31.259 44.498 1.00 0.00 H new ATOM 0 HA GLN A 57 38.974 33.806 44.767 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.460 34.366 46.883 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.812 33.801 47.068 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.450 31.724 47.858 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.967 31.726 46.980 1.00 0.00 H new ATOM 0 HE21 GLN A 57 39.283 32.750 49.889 1.00 0.00 H new ATOM 0 HE22 GLN A 57 40.715 33.253 50.792 1.00 0.00 H new ATOM 884 N PRO A 58 41.312 34.821 44.321 1.00 0.00 N ATOM 885 CA PRO A 58 40.345 35.874 44.646 1.00 0.00 C ATOM 886 C PRO A 58 39.106 35.818 43.759 1.00 0.00 C ATOM 887 O PRO A 58 37.982 35.974 44.235 1.00 0.00 O ATOM 888 CB PRO A 58 41.127 37.165 44.390 1.00 0.00 C ATOM 889 CG PRO A 58 42.167 36.786 43.393 1.00 0.00 C ATOM 890 CD PRO A 58 42.531 35.359 43.696 1.00 0.00 C ATOM 0 HA PRO A 58 39.969 35.781 45.665 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.478 37.952 44.005 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.577 37.544 45.308 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.787 36.884 42.376 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.038 37.436 43.472 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.794 34.811 42.791 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.388 35.297 44.367 1.00 0.00 H new ATOM 898 N GLY A 59 39.319 35.593 42.466 1.00 0.00 N ATOM 899 CA GLY A 59 38.210 35.520 41.533 1.00 0.00 C ATOM 900 C GLY A 59 38.523 34.657 40.327 1.00 0.00 C ATOM 901 O GLY A 59 38.523 35.139 39.194 1.00 0.00 O ATOM 0 H GLY A 59 40.240 35.460 42.048 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.335 35.120 42.045 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.953 36.525 41.200 1.00 0.00 H new ATOM 905 N ASP A 60 38.793 33.380 40.569 1.00 0.00 N ATOM 906 CA ASP A 60 39.110 32.447 39.493 1.00 0.00 C ATOM 907 C ASP A 60 38.044 32.494 38.402 1.00 0.00 C ATOM 908 O ASP A 60 36.847 32.500 38.690 1.00 0.00 O ATOM 909 CB ASP A 60 39.234 31.025 40.042 1.00 0.00 C ATOM 910 CG ASP A 60 40.677 30.609 40.251 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.238 30.928 41.320 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.245 29.964 39.345 1.00 0.00 O ATOM 0 H ASP A 60 38.799 32.966 41.501 1.00 0.00 H new ATOM 0 HA ASP A 60 40.064 32.744 39.057 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.698 30.956 40.989 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.755 30.330 39.353 1.00 0.00 H new ATOM 917 N ASP A 61 38.488 32.527 37.151 1.00 0.00 N ATOM 918 CA ASP A 61 37.573 32.573 36.016 1.00 0.00 C ATOM 919 C ASP A 61 36.539 31.455 36.106 1.00 0.00 C ATOM 920 O ASP A 61 36.861 30.326 36.479 1.00 0.00 O ATOM 921 CB ASP A 61 38.349 32.463 34.703 1.00 0.00 C ATOM 922 CG ASP A 61 39.448 33.502 34.591 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.328 34.563 35.237 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.427 33.253 33.857 1.00 0.00 O ATOM 0 H ASP A 61 39.476 32.523 36.897 1.00 0.00 H new ATOM 0 HA ASP A 61 37.050 33.529 36.041 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.785 31.467 34.624 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.660 32.576 33.866 1.00 0.00 H new ATOM 929 N VAL A 62 35.296 31.775 35.762 1.00 0.00 N ATOM 930 CA VAL A 62 34.215 30.798 35.803 1.00 0.00 C ATOM 931 C VAL A 62 33.342 30.891 34.557 1.00 0.00 C ATOM 932 O VAL A 62 33.327 31.914 33.873 1.00 0.00 O ATOM 933 CB VAL A 62 33.333 30.990 37.051 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.055 30.501 38.297 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.928 32.449 37.198 1.00 0.00 C ATOM 0 H VAL A 62 35.012 32.704 35.451 1.00 0.00 H new ATOM 0 HA VAL A 62 34.680 29.813 35.844 1.00 0.00 H new ATOM 0 HB VAL A 62 32.428 30.396 36.929 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.416 30.645 39.168 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.289 29.442 38.190 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.978 31.065 38.427 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.305 32.566 38.085 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.821 33.066 37.297 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.367 32.761 36.317 1.00 0.00 H new ATOM 945 N GLU A 63 32.614 29.816 34.270 1.00 0.00 N ATOM 946 CA GLU A 63 31.738 29.778 33.105 1.00 0.00 C ATOM 947 C GLU A 63 30.279 29.621 33.526 1.00 0.00 C ATOM 948 O GLU A 63 29.986 29.272 34.669 1.00 0.00 O ATOM 949 CB GLU A 63 32.138 28.629 32.176 1.00 0.00 C ATOM 950 CG GLU A 63 31.849 28.904 30.710 1.00 0.00 C ATOM 951 CD GLU A 63 30.984 27.832 30.075 1.00 0.00 C ATOM 952 OE1 GLU A 63 29.808 27.706 30.475 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.483 27.121 29.178 1.00 0.00 O ATOM 0 H GLU A 63 32.614 28.962 34.827 1.00 0.00 H new ATOM 0 HA GLU A 63 31.845 30.722 32.571 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.203 28.429 32.297 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.608 27.726 32.479 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.352 29.869 30.616 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.790 28.976 30.165 1.00 0.00 H new ATOM 960 N PHE A 64 29.369 29.884 32.594 1.00 0.00 N ATOM 961 CA PHE A 64 27.941 29.774 32.868 1.00 0.00 C ATOM 962 C PHE A 64 27.131 29.865 31.578 1.00 0.00 C ATOM 963 O PHE A 64 27.654 30.237 30.527 1.00 0.00 O ATOM 964 CB PHE A 64 27.501 30.872 33.839 1.00 0.00 C ATOM 965 CG PHE A 64 27.813 32.260 33.356 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.994 32.886 32.430 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.925 32.938 33.828 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.280 34.162 31.983 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.215 34.215 33.386 1.00 0.00 C ATOM 970 CZ PHE A 64 28.391 34.828 32.463 1.00 0.00 C ATOM 0 H PHE A 64 29.595 30.175 31.643 1.00 0.00 H new ATOM 0 HA PHE A 64 27.757 28.801 33.323 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.428 30.788 34.008 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.989 30.712 34.801 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.123 32.371 32.053 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.573 32.463 34.550 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.635 34.638 31.259 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.085 34.733 33.762 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.615 35.826 32.117 1.00 0.00 H new ATOM 980 N THR A 65 25.849 29.523 31.666 1.00 0.00 N ATOM 981 CA THR A 65 24.967 29.563 30.506 1.00 0.00 C ATOM 982 C THR A 65 23.684 30.325 30.819 1.00 0.00 C ATOM 983 O THR A 65 22.855 29.867 31.606 1.00 0.00 O ATOM 984 CB THR A 65 24.604 28.145 30.026 1.00 0.00 C ATOM 985 OG1 THR A 65 25.796 27.407 29.735 1.00 0.00 O ATOM 986 CG2 THR A 65 23.721 28.202 28.789 1.00 0.00 C ATOM 0 H THR A 65 25.399 29.215 32.528 1.00 0.00 H new ATOM 0 HA THR A 65 25.510 30.078 29.713 1.00 0.00 H new ATOM 0 HB THR A 65 24.053 27.645 30.823 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.557 26.506 29.432 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.478 27.189 28.469 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.802 28.739 29.023 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.250 28.719 27.988 1.00 0.00 H new ATOM 994 N ILE A 66 23.527 31.489 30.198 1.00 0.00 N ATOM 995 CA ILE A 66 22.343 32.313 30.409 1.00 0.00 C ATOM 996 C ILE A 66 21.093 31.631 29.864 1.00 0.00 C ATOM 997 O ILE A 66 21.060 31.200 28.711 1.00 0.00 O ATOM 998 CB ILE A 66 22.492 33.694 29.742 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.829 34.330 30.130 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.335 34.600 30.136 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.010 34.493 31.623 1.00 0.00 C ATOM 0 H ILE A 66 24.204 31.883 29.545 1.00 0.00 H new ATOM 0 HA ILE A 66 22.240 32.447 31.486 1.00 0.00 H new ATOM 0 HB ILE A 66 22.473 33.563 28.660 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.641 33.717 29.739 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.909 35.307 29.654 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.454 35.572 29.657 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.395 34.150 29.815 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.325 34.728 31.218 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.979 34.950 31.824 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.219 35.131 32.018 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.962 33.516 32.104 1.00 0.00 H new ATOM 1013 N LYS A 67 20.065 31.537 30.700 1.00 0.00 N ATOM 1014 CA LYS A 67 18.810 30.910 30.303 1.00 0.00 C ATOM 1015 C LYS A 67 17.688 31.940 30.224 1.00 0.00 C ATOM 1016 O LYS A 67 17.920 33.138 30.387 1.00 0.00 O ATOM 1017 CB LYS A 67 18.433 29.804 31.291 1.00 0.00 C ATOM 1018 CG LYS A 67 19.556 28.816 31.556 1.00 0.00 C ATOM 1019 CD LYS A 67 19.876 27.991 30.321 1.00 0.00 C ATOM 1020 CE LYS A 67 20.591 26.699 30.684 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.871 25.502 30.167 1.00 0.00 N ATOM 0 H LYS A 67 20.076 31.887 31.658 1.00 0.00 H new ATOM 0 HA LYS A 67 18.948 30.473 29.314 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.130 30.259 32.234 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.568 29.264 30.906 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.448 29.355 31.876 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.273 28.153 32.374 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.954 27.760 29.787 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.499 28.575 29.643 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.603 26.718 30.278 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.683 26.627 31.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.390 24.642 30.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.914 25.470 30.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.805 25.557 29.131 1.00 0.00 H new ATOM 1129 N VAL A 74 19.854 34.858 35.582 1.00 0.00 N ATOM 1130 CA VAL A 74 20.809 34.239 36.493 1.00 0.00 C ATOM 1131 C VAL A 74 21.643 33.180 35.781 1.00 0.00 C ATOM 1132 O VAL A 74 21.322 32.771 34.665 1.00 0.00 O ATOM 1133 CB VAL A 74 20.099 33.593 37.697 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.422 34.654 38.551 1.00 0.00 C ATOM 1135 CG2 VAL A 74 19.091 32.555 37.226 1.00 0.00 C ATOM 0 HA VAL A 74 21.465 35.033 36.850 1.00 0.00 H new ATOM 0 HB VAL A 74 20.847 33.090 38.310 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.926 34.178 39.397 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.170 35.357 38.918 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.685 35.188 37.951 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.598 32.108 38.090 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.346 33.034 36.590 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.606 31.779 36.660 1.00 0.00 H new ATOM 1145 N ALA A 75 22.714 32.740 36.433 1.00 0.00 N ATOM 1146 CA ALA A 75 23.592 31.727 35.862 1.00 0.00 C ATOM 1147 C ALA A 75 23.363 30.369 36.518 1.00 0.00 C ATOM 1148 O ALA A 75 23.494 30.224 37.734 1.00 0.00 O ATOM 1149 CB ALA A 75 25.047 32.146 36.009 1.00 0.00 C ATOM 0 H ALA A 75 22.994 33.069 37.357 1.00 0.00 H new ATOM 0 HA ALA A 75 23.357 31.634 34.802 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.692 31.380 35.578 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.208 33.090 35.489 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.285 32.269 37.066 1.00 0.00 H new ATOM 1155 N THR A 76 23.017 29.375 35.705 1.00 0.00 N ATOM 1156 CA THR A 76 22.767 28.030 36.207 1.00 0.00 C ATOM 1157 C THR A 76 23.902 27.084 35.832 1.00 0.00 C ATOM 1158 O THR A 76 24.478 27.188 34.749 1.00 0.00 O ATOM 1159 CB THR A 76 21.442 27.465 35.662 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.649 28.521 35.109 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.661 26.761 36.762 1.00 0.00 C ATOM 0 H THR A 76 22.904 29.477 34.696 1.00 0.00 H new ATOM 0 HA THR A 76 22.703 28.104 37.293 1.00 0.00 H new ATOM 0 HB THR A 76 21.676 26.740 34.882 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.809 28.153 34.763 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.729 26.370 36.354 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.255 25.939 37.161 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.439 27.469 37.560 1.00 0.00 H new ATOM 1169 N ASP A 77 24.218 26.160 36.733 1.00 0.00 N ATOM 1170 CA ASP A 77 25.284 25.193 36.495 1.00 0.00 C ATOM 1171 C ASP A 77 26.603 25.900 36.199 1.00 0.00 C ATOM 1172 O ASP A 77 27.095 25.871 35.071 1.00 0.00 O ATOM 1173 CB ASP A 77 24.914 24.269 35.334 1.00 0.00 C ATOM 1174 CG ASP A 77 23.638 23.493 35.595 1.00 0.00 C ATOM 1175 OD1 ASP A 77 23.531 22.876 36.675 1.00 0.00 O ATOM 1176 OD2 ASP A 77 22.748 23.502 34.719 1.00 0.00 O ATOM 0 H ASP A 77 23.751 26.060 37.635 1.00 0.00 H new ATOM 0 HA ASP A 77 25.408 24.596 37.399 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.797 24.861 34.426 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.731 23.570 35.156 1.00 0.00 H new ATOM 1181 N VAL A 78 27.170 26.536 37.220 1.00 0.00 N ATOM 1182 CA VAL A 78 28.432 27.250 37.069 1.00 0.00 C ATOM 1183 C VAL A 78 29.618 26.297 37.159 1.00 0.00 C ATOM 1184 O VAL A 78 29.676 25.444 38.045 1.00 0.00 O ATOM 1185 CB VAL A 78 28.587 28.347 38.140 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.933 29.041 38.001 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.448 29.350 38.043 1.00 0.00 C ATOM 0 H VAL A 78 26.775 26.571 38.160 1.00 0.00 H new ATOM 0 HA VAL A 78 28.417 27.714 36.083 1.00 0.00 H new ATOM 0 HB VAL A 78 28.546 27.880 39.124 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.025 29.813 38.765 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.733 28.311 38.124 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.007 29.497 37.014 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.573 30.118 38.807 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.455 29.814 37.057 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.498 28.838 38.196 1.00 0.00 H new ATOM 1197 N ARG A 79 30.562 26.447 36.236 1.00 0.00 N ATOM 1198 CA ARG A 79 31.747 25.598 36.210 1.00 0.00 C ATOM 1199 C ARG A 79 33.015 26.439 36.095 1.00 0.00 C ATOM 1200 O ARG A 79 33.141 27.273 35.197 1.00 0.00 O ATOM 1201 CB ARG A 79 31.669 24.612 35.043 1.00 0.00 C ATOM 1202 CG ARG A 79 31.640 25.282 33.679 1.00 0.00 C ATOM 1203 CD ARG A 79 30.806 24.489 32.686 1.00 0.00 C ATOM 1204 NE ARG A 79 31.330 23.141 32.484 1.00 0.00 N ATOM 1205 CZ ARG A 79 30.900 22.320 31.532 1.00 0.00 C ATOM 1206 NH1 ARG A 79 29.945 22.708 30.699 1.00 0.00 N ATOM 1207 NH2 ARG A 79 31.426 21.108 31.413 1.00 0.00 N ATOM 0 H ARG A 79 30.529 27.149 35.496 1.00 0.00 H new ATOM 0 HA ARG A 79 31.784 25.040 37.146 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.525 23.939 35.089 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.775 23.999 35.156 1.00 0.00 H new ATOM 0 HG2 ARG A 79 31.233 26.288 33.776 1.00 0.00 H new ATOM 0 HG3 ARG A 79 32.657 25.385 33.301 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.778 24.428 33.043 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.781 25.015 31.732 1.00 0.00 H new ATOM 0 HE ARG A 79 32.067 22.812 33.108 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.538 23.639 30.788 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.617 22.076 29.969 1.00 0.00 H new ATOM 0 HH21 ARG A 79 32.161 20.806 32.053 1.00 0.00 H new ATOM 0 HH22 ARG A 79 31.095 20.478 30.682 1.00 0.00 H new ATOM 1221 N LEU A 80 33.953 26.213 37.008 1.00 0.00 N ATOM 1222 CA LEU A 80 35.212 26.950 37.010 1.00 0.00 C ATOM 1223 C LEU A 80 35.921 26.819 35.666 1.00 0.00 C ATOM 1224 O LEU A 80 35.707 25.855 34.930 1.00 0.00 O ATOM 1225 CB LEU A 80 36.121 26.442 38.131 1.00 0.00 C ATOM 1226 CG LEU A 80 36.031 27.193 39.460 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.791 26.447 40.546 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.565 28.610 39.309 1.00 0.00 C ATOM 0 H LEU A 80 33.866 25.525 37.756 1.00 0.00 H new ATOM 0 HA LEU A 80 34.988 28.003 37.181 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.888 25.393 38.313 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.153 26.484 37.782 1.00 0.00 H new ATOM 0 HG LEU A 80 34.983 27.251 39.753 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.716 26.996 41.485 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.363 25.452 40.672 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.839 26.357 40.261 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.493 29.130 40.264 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.608 28.574 38.993 1.00 0.00 H new ATOM 0 HD23 LEU A 80 35.977 29.143 38.561 1.00 0.00 H new ATOM 1240 N LEU A 81 36.768 27.794 35.353 1.00 0.00 N ATOM 1241 CA LEU A 81 37.512 27.787 34.098 1.00 0.00 C ATOM 1242 C LEU A 81 38.941 27.302 34.315 1.00 0.00 C ATOM 1243 O LEU A 81 39.472 27.334 35.425 1.00 0.00 O ATOM 1244 CB LEU A 81 37.524 29.188 33.482 1.00 0.00 C ATOM 1245 CG LEU A 81 36.292 29.571 32.661 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.358 31.034 32.251 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.169 28.677 31.436 1.00 0.00 C ATOM 0 H LEU A 81 36.956 28.599 35.951 1.00 0.00 H new ATOM 0 HA LEU A 81 37.015 27.100 33.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.641 29.915 34.285 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.403 29.275 32.843 1.00 0.00 H new ATOM 0 HG LEU A 81 35.407 29.428 33.281 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.473 31.289 31.668 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.398 31.660 33.142 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.251 31.203 31.649 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.287 28.964 30.863 1.00 0.00 H new ATOM 0 HD22 LEU A 81 37.057 28.788 30.814 1.00 0.00 H new ATOM 0 HD23 LEU A 81 36.075 27.638 31.752 1.00 0.00 H new ATOM 1259 N PRO A 82 39.582 26.843 33.229 1.00 0.00 N ATOM 1260 CA PRO A 82 40.960 26.345 33.274 1.00 0.00 C ATOM 1261 C PRO A 82 41.971 27.460 33.521 1.00 0.00 C ATOM 1262 O PRO A 82 41.662 28.639 33.350 1.00 0.00 O ATOM 1263 CB PRO A 82 41.163 25.737 31.884 1.00 0.00 C ATOM 1264 CG PRO A 82 40.200 26.462 31.009 1.00 0.00 C ATOM 1265 CD PRO A 82 39.010 26.776 31.873 1.00 0.00 C ATOM 0 HA PRO A 82 41.112 25.638 34.090 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.189 25.870 31.540 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.965 24.665 31.888 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.645 27.374 30.611 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.911 25.849 30.155 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.543 27.718 31.587 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.244 26.005 31.798 1.00 0.00 H new