USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=9 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 45 HIS : no HD1:sc= 0.202 K(o=0.52,f=-0.35) USER MOD Set 1.2: A 47 SER OG : rot -104:sc= 0.318 USER MOD Set 2.1: A 26 MET CE :methyl 157:sc= -0.838 (180deg=-2.24!) USER MOD Set 2.2: A 46 TYR OH : rot 30:sc= -0.0527 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0051) 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 47:sc= 1.16 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+ -173:sc= 0 (180deg=-0.0615) USER MOD Single : A 76 THR OG1 : rot -140:sc=-0.00476 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.870 31.518 28.249 1.00 0.00 N ATOM 272 CA CYS A 19 29.360 32.804 28.734 1.00 0.00 C ATOM 273 C CYS A 19 30.156 32.632 30.024 1.00 0.00 C ATOM 274 O CYS A 19 29.695 31.988 30.966 1.00 0.00 O ATOM 275 CB CYS A 19 28.192 33.764 28.965 1.00 0.00 C ATOM 276 SG CYS A 19 27.058 33.897 27.564 1.00 0.00 S ATOM 0 HA CYS A 19 30.020 33.223 27.975 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.633 33.435 29.841 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.589 34.753 29.193 1.00 0.00 H new ATOM 0 HG CYS A 19 26.103 34.729 27.856 1.00 0.00 H new ATOM 282 N GLN A 20 31.352 33.210 30.057 1.00 0.00 N ATOM 283 CA GLN A 20 32.212 33.117 31.231 1.00 0.00 C ATOM 284 C GLN A 20 32.685 34.499 31.669 1.00 0.00 C ATOM 285 O GLN A 20 32.550 35.475 30.932 1.00 0.00 O ATOM 286 CB GLN A 20 33.418 32.223 30.937 1.00 0.00 C ATOM 287 CG GLN A 20 34.406 32.836 29.958 1.00 0.00 C ATOM 288 CD GLN A 20 34.714 31.920 28.789 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.822 31.542 28.030 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.983 31.559 28.639 1.00 0.00 N ATOM 0 H GLN A 20 31.747 33.747 29.285 1.00 0.00 H new ATOM 0 HA GLN A 20 31.631 32.677 32.042 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.934 32.004 31.872 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.066 31.272 30.537 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.003 33.776 29.582 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.332 33.073 30.482 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.690 31.896 29.292 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.251 30.944 27.870 1.00 0.00 H new ATOM 299 N GLY A 21 33.240 34.575 32.875 1.00 0.00 N ATOM 300 CA GLY A 21 33.723 35.842 33.391 1.00 0.00 C ATOM 301 C GLY A 21 34.712 35.666 34.527 1.00 0.00 C ATOM 302 O GLY A 21 35.553 34.768 34.494 1.00 0.00 O ATOM 0 H GLY A 21 33.364 33.781 33.504 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.196 36.402 32.585 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.877 36.436 33.738 1.00 0.00 H new ATOM 306 N VAL A 22 34.613 36.528 35.534 1.00 0.00 N ATOM 307 CA VAL A 22 35.506 36.464 36.685 1.00 0.00 C ATOM 308 C VAL A 22 34.752 36.739 37.982 1.00 0.00 C ATOM 309 O VAL A 22 34.046 37.740 38.102 1.00 0.00 O ATOM 310 CB VAL A 22 36.663 37.472 36.554 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.682 37.262 37.663 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.319 37.354 35.187 1.00 0.00 C ATOM 0 H VAL A 22 33.924 37.279 35.576 1.00 0.00 H new ATOM 0 HA VAL A 22 35.915 35.454 36.713 1.00 0.00 H new ATOM 0 HB VAL A 22 36.258 38.479 36.652 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.492 37.983 37.554 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.200 37.401 38.631 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.085 36.251 37.600 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.134 38.073 35.111 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.712 36.345 35.058 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.582 37.559 34.411 1.00 0.00 H new ATOM 322 N VAL A 23 34.906 35.842 38.951 1.00 0.00 N ATOM 323 CA VAL A 23 34.241 35.988 40.240 1.00 0.00 C ATOM 324 C VAL A 23 34.698 37.256 40.953 1.00 0.00 C ATOM 325 O VAL A 23 35.794 37.306 41.513 1.00 0.00 O ATOM 326 CB VAL A 23 34.510 34.776 41.151 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.715 34.891 42.442 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.179 33.481 40.425 1.00 0.00 C ATOM 0 H VAL A 23 35.485 35.007 38.868 1.00 0.00 H new ATOM 0 HA VAL A 23 33.172 36.052 40.039 1.00 0.00 H new ATOM 0 HB VAL A 23 35.570 34.763 41.406 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.918 34.026 43.073 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.006 35.800 42.969 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.650 34.930 42.211 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.375 32.635 41.083 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.127 33.483 40.139 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.798 33.396 39.531 1.00 0.00 H new ATOM 338 N CYS A 24 33.850 38.279 40.929 1.00 0.00 N ATOM 339 CA CYS A 24 34.166 39.549 41.573 1.00 0.00 C ATOM 340 C CYS A 24 33.618 39.588 42.996 1.00 0.00 C ATOM 341 O CYS A 24 34.222 40.183 43.889 1.00 0.00 O ATOM 342 CB CYS A 24 33.596 40.713 40.762 1.00 0.00 C ATOM 343 SG CYS A 24 34.409 42.298 41.070 1.00 0.00 S ATOM 0 H CYS A 24 32.939 38.254 40.471 1.00 0.00 H new ATOM 0 HA CYS A 24 35.251 39.645 41.618 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.677 40.476 39.701 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.534 40.812 40.987 1.00 0.00 H new ATOM 0 HG CYS A 24 33.857 43.218 40.336 1.00 0.00 H new ATOM 349 N ALA A 25 32.468 38.953 43.199 1.00 0.00 N ATOM 350 CA ALA A 25 31.838 38.915 44.513 1.00 0.00 C ATOM 351 C ALA A 25 31.996 37.542 45.158 1.00 0.00 C ATOM 352 O ALA A 25 31.835 36.514 44.500 1.00 0.00 O ATOM 353 CB ALA A 25 30.366 39.282 44.403 1.00 0.00 C ATOM 0 H ALA A 25 31.954 38.458 42.470 1.00 0.00 H new ATOM 0 HA ALA A 25 32.337 39.646 45.149 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.908 39.250 45.392 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.271 40.287 43.992 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.862 38.573 43.746 1.00 0.00 H new ATOM 359 N MET A 26 32.312 37.532 46.449 1.00 0.00 N ATOM 360 CA MET A 26 32.491 36.285 47.182 1.00 0.00 C ATOM 361 C MET A 26 31.735 36.319 48.507 1.00 0.00 C ATOM 362 O MET A 26 32.031 37.134 49.381 1.00 0.00 O ATOM 363 CB MET A 26 33.977 36.026 47.437 1.00 0.00 C ATOM 364 CG MET A 26 34.657 35.242 46.326 1.00 0.00 C ATOM 365 SD MET A 26 35.885 34.078 46.948 1.00 0.00 S ATOM 366 CE MET A 26 34.907 32.581 47.055 1.00 0.00 C ATOM 0 H MET A 26 32.449 38.374 47.009 1.00 0.00 H new ATOM 0 HA MET A 26 32.088 35.475 46.574 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.488 36.981 47.562 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.087 35.481 48.375 1.00 0.00 H new ATOM 0 HG2 MET A 26 33.903 34.699 45.756 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.137 35.937 45.637 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.565 31.713 47.021 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.349 32.577 47.991 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.211 32.541 46.217 1.00 0.00 H new ATOM 376 N LYS A 27 30.757 35.430 48.648 1.00 0.00 N ATOM 377 CA LYS A 27 29.959 35.358 49.866 1.00 0.00 C ATOM 378 C LYS A 27 29.774 33.911 50.310 1.00 0.00 C ATOM 379 O LYS A 27 30.188 32.982 49.617 1.00 0.00 O ATOM 380 CB LYS A 27 28.593 36.013 49.644 1.00 0.00 C ATOM 381 CG LYS A 27 28.152 36.903 50.793 1.00 0.00 C ATOM 382 CD LYS A 27 27.394 38.122 50.295 1.00 0.00 C ATOM 383 CE LYS A 27 27.202 39.149 51.400 1.00 0.00 C ATOM 384 NZ LYS A 27 27.052 40.527 50.857 1.00 0.00 N ATOM 0 H LYS A 27 30.498 34.750 47.934 1.00 0.00 H new ATOM 0 HA LYS A 27 30.490 35.896 50.651 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.627 36.605 48.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.846 35.234 49.491 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.519 36.333 51.474 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.025 37.224 51.362 1.00 0.00 H new ATOM 0 HD2 LYS A 27 27.937 38.576 49.466 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.422 37.815 49.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.319 38.891 51.986 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.055 39.117 52.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.923 41.197 51.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.905 40.783 50.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.223 40.565 50.230 1.00 0.00 H new ATOM 398 N GLU A 28 29.150 33.727 51.469 1.00 0.00 N ATOM 399 CA GLU A 28 28.910 32.392 52.004 1.00 0.00 C ATOM 400 C GLU A 28 27.509 31.905 51.646 1.00 0.00 C ATOM 401 O GLU A 28 26.818 31.308 52.470 1.00 0.00 O ATOM 402 CB GLU A 28 29.090 32.387 53.524 1.00 0.00 C ATOM 403 CG GLU A 28 30.460 32.864 53.976 1.00 0.00 C ATOM 404 CD GLU A 28 30.505 33.193 55.456 1.00 0.00 C ATOM 405 OE1 GLU A 28 29.458 33.597 56.005 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.585 33.046 56.064 1.00 0.00 O ATOM 0 H GLU A 28 28.802 34.485 52.055 1.00 0.00 H new ATOM 0 HA GLU A 28 29.637 31.714 51.557 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.327 33.022 53.974 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.925 31.376 53.898 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.199 32.094 53.756 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.740 33.748 53.403 1.00 0.00 H new ATOM 413 N ALA A 29 27.097 32.165 50.409 1.00 0.00 N ATOM 414 CA ALA A 29 25.780 31.753 49.940 1.00 0.00 C ATOM 415 C ALA A 29 25.640 31.971 48.437 1.00 0.00 C ATOM 416 O ALA A 29 25.226 31.071 47.706 1.00 0.00 O ATOM 417 CB ALA A 29 24.693 32.509 50.689 1.00 0.00 C ATOM 0 H ALA A 29 27.657 32.659 49.714 1.00 0.00 H new ATOM 0 HA ALA A 29 25.668 30.687 50.138 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.715 32.191 50.329 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.773 32.299 51.756 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.812 33.579 50.520 1.00 0.00 H new ATOM 423 N PHE A 30 25.986 33.171 47.983 1.00 0.00 N ATOM 424 CA PHE A 30 25.897 33.507 46.567 1.00 0.00 C ATOM 425 C PHE A 30 26.882 34.615 46.208 1.00 0.00 C ATOM 426 O PHE A 30 27.432 35.280 47.085 1.00 0.00 O ATOM 427 CB PHE A 30 24.473 33.941 46.213 1.00 0.00 C ATOM 428 CG PHE A 30 23.889 34.929 47.182 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.408 36.209 47.284 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.820 34.577 47.991 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.873 37.120 48.176 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.280 35.483 48.884 1.00 0.00 C ATOM 433 CZ PHE A 30 22.807 36.756 48.976 1.00 0.00 C ATOM 0 H PHE A 30 26.331 33.927 48.575 1.00 0.00 H new ATOM 0 HA PHE A 30 26.152 32.617 45.991 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.473 34.379 45.215 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.832 33.060 46.174 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.240 36.499 46.660 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.404 33.583 47.923 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.288 38.115 48.247 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.447 35.196 49.509 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.386 37.466 49.672 1.00 0.00 H new ATOM 443 N GLY A 31 27.101 34.807 44.911 1.00 0.00 N ATOM 444 CA GLY A 31 28.020 35.835 44.458 1.00 0.00 C ATOM 445 C GLY A 31 27.699 36.325 43.060 1.00 0.00 C ATOM 446 O GLY A 31 26.663 35.974 42.493 1.00 0.00 O ATOM 0 H GLY A 31 26.659 34.269 44.166 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.989 36.676 45.150 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.037 35.443 44.478 1.00 0.00 H new ATOM 450 N PHE A 32 28.588 37.139 42.501 1.00 0.00 N ATOM 451 CA PHE A 32 28.392 37.681 41.161 1.00 0.00 C ATOM 452 C PHE A 32 29.619 37.429 40.289 1.00 0.00 C ATOM 453 O PHE A 32 30.646 36.947 40.767 1.00 0.00 O ATOM 454 CB PHE A 32 28.102 39.181 41.231 1.00 0.00 C ATOM 455 CG PHE A 32 26.866 39.517 42.016 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.887 39.517 43.401 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.682 39.831 41.367 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.751 39.825 44.126 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.543 40.141 42.087 1.00 0.00 C ATOM 460 CZ PHE A 32 24.577 40.137 43.467 1.00 0.00 C ATOM 0 H PHE A 32 29.451 37.438 42.955 1.00 0.00 H new ATOM 0 HA PHE A 32 27.538 37.174 40.712 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.957 39.688 41.680 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.996 39.570 40.218 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.802 39.273 43.921 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.649 39.834 40.288 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.781 39.822 45.206 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.627 40.386 41.570 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.688 40.377 44.031 1.00 0.00 H new ATOM 470 N ILE A 33 29.503 37.758 39.007 1.00 0.00 N ATOM 471 CA ILE A 33 30.602 37.569 38.068 1.00 0.00 C ATOM 472 C ILE A 33 30.754 38.776 37.149 1.00 0.00 C ATOM 473 O ILE A 33 29.766 39.386 36.741 1.00 0.00 O ATOM 474 CB ILE A 33 30.396 36.307 37.209 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.191 35.082 38.103 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.584 36.099 36.281 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.749 33.849 37.347 1.00 0.00 C ATOM 0 H ILE A 33 28.659 38.157 38.595 1.00 0.00 H new ATOM 0 HA ILE A 33 31.508 37.452 38.662 1.00 0.00 H new ATOM 0 HB ILE A 33 29.502 36.442 36.600 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.122 34.864 38.625 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.447 35.318 38.864 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.424 35.204 35.680 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.688 36.963 35.624 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.492 35.982 36.873 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.623 33.020 38.044 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.801 34.049 36.847 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.503 33.588 36.605 1.00 0.00 H new ATOM 489 N GLU A 34 31.999 39.114 36.826 1.00 0.00 N ATOM 490 CA GLU A 34 32.280 40.248 35.954 1.00 0.00 C ATOM 491 C GLU A 34 32.453 39.793 34.508 1.00 0.00 C ATOM 492 O GLU A 34 32.950 38.697 34.246 1.00 0.00 O ATOM 493 CB GLU A 34 33.538 40.982 36.423 1.00 0.00 C ATOM 494 CG GLU A 34 33.247 42.268 37.177 1.00 0.00 C ATOM 495 CD GLU A 34 33.378 43.500 36.302 1.00 0.00 C ATOM 496 OE1 GLU A 34 34.304 43.536 35.465 1.00 0.00 O ATOM 497 OE2 GLU A 34 32.555 44.427 36.454 1.00 0.00 O ATOM 0 H GLU A 34 32.828 38.619 37.155 1.00 0.00 H new ATOM 0 HA GLU A 34 31.431 40.930 36.003 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.118 40.318 37.064 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.159 41.211 35.557 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.238 42.224 37.587 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.931 42.352 38.021 1.00 0.00 H new ATOM 601 N GLU A 41 26.046 41.890 33.840 1.00 0.00 N ATOM 602 CA GLU A 41 26.384 40.958 34.909 1.00 0.00 C ATOM 603 C GLU A 41 25.225 40.005 35.187 1.00 0.00 C ATOM 604 O GLU A 41 24.114 40.202 34.693 1.00 0.00 O ATOM 605 CB GLU A 41 26.749 41.720 36.184 1.00 0.00 C ATOM 606 CG GLU A 41 25.633 42.612 36.701 1.00 0.00 C ATOM 607 CD GLU A 41 25.798 44.058 36.276 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.929 44.580 36.371 1.00 0.00 O ATOM 609 OE2 GLU A 41 24.796 44.668 35.848 1.00 0.00 O ATOM 0 HA GLU A 41 27.244 40.372 34.586 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.019 41.004 36.960 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.631 42.331 35.992 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.676 42.237 36.338 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.604 42.558 37.789 1.00 0.00 H new ATOM 616 N ILE A 42 25.492 38.973 35.979 1.00 0.00 N ATOM 617 CA ILE A 42 24.472 37.990 36.324 1.00 0.00 C ATOM 618 C ILE A 42 24.634 37.511 37.762 1.00 0.00 C ATOM 619 O ILE A 42 25.661 37.751 38.396 1.00 0.00 O ATOM 620 CB ILE A 42 24.521 36.774 35.380 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.637 35.817 35.805 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.722 37.226 33.942 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.005 36.462 35.840 1.00 0.00 C ATOM 0 H ILE A 42 26.406 38.795 36.394 1.00 0.00 H new ATOM 0 HA ILE A 42 23.507 38.485 36.216 1.00 0.00 H new ATOM 0 HB ILE A 42 23.570 36.245 35.443 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.407 35.419 36.793 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.660 34.971 35.118 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.754 36.355 33.288 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.896 37.872 33.645 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.660 37.776 33.861 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.747 35.726 36.149 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.257 36.836 34.847 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.999 37.290 36.549 1.00 0.00 H new ATOM 635 N PHE A 43 23.612 36.830 38.272 1.00 0.00 N ATOM 636 CA PHE A 43 23.641 36.316 39.636 1.00 0.00 C ATOM 637 C PHE A 43 23.608 34.790 39.642 1.00 0.00 C ATOM 638 O PHE A 43 22.740 34.174 39.023 1.00 0.00 O ATOM 639 CB PHE A 43 22.458 36.866 40.436 1.00 0.00 C ATOM 640 CG PHE A 43 22.339 36.275 41.812 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.635 35.099 42.016 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.930 36.896 42.900 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.523 34.554 43.281 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.822 36.355 44.168 1.00 0.00 C ATOM 645 CZ PHE A 43 22.118 35.182 44.358 1.00 0.00 C ATOM 0 H PHE A 43 22.754 36.622 37.761 1.00 0.00 H new ATOM 0 HA PHE A 43 24.570 36.644 40.102 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.559 37.948 40.521 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.537 36.674 39.886 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.169 34.603 41.177 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.482 37.813 42.756 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.971 33.638 43.428 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.287 36.849 45.008 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.033 34.756 45.347 1.00 0.00 H new ATOM 655 N PHE A 44 24.560 34.187 40.346 1.00 0.00 N ATOM 656 CA PHE A 44 24.642 32.734 40.433 1.00 0.00 C ATOM 657 C PHE A 44 24.701 32.278 41.888 1.00 0.00 C ATOM 658 O PHE A 44 25.140 33.022 42.766 1.00 0.00 O ATOM 659 CB PHE A 44 25.871 32.225 39.677 1.00 0.00 C ATOM 660 CG PHE A 44 27.168 32.519 40.376 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.651 33.815 40.451 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.904 31.499 40.957 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.845 34.088 41.093 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.098 31.766 41.600 1.00 0.00 C ATOM 665 CZ PHE A 44 29.568 33.063 41.669 1.00 0.00 C ATOM 0 H PHE A 44 25.285 34.682 40.865 1.00 0.00 H new ATOM 0 HA PHE A 44 23.744 32.317 39.976 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.780 31.148 39.535 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.891 32.677 38.685 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.089 34.621 40.003 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.540 30.483 40.907 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.212 35.103 41.144 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.663 30.962 42.048 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.500 33.275 42.173 1.00 0.00 H new ATOM 675 N HIS A 45 24.255 31.051 42.136 1.00 0.00 N ATOM 676 CA HIS A 45 24.256 30.495 43.485 1.00 0.00 C ATOM 677 C HIS A 45 25.303 29.393 43.617 1.00 0.00 C ATOM 678 O HIS A 45 25.376 28.489 42.784 1.00 0.00 O ATOM 679 CB HIS A 45 22.873 29.945 43.834 1.00 0.00 C ATOM 680 CG HIS A 45 22.437 30.264 45.231 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.649 29.417 46.298 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.798 31.347 45.733 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.158 29.964 47.396 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.636 31.136 47.080 1.00 0.00 N ATOM 0 H HIS A 45 23.888 30.423 41.421 1.00 0.00 H new ATOM 0 HA HIS A 45 24.506 31.295 44.181 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.143 30.349 43.133 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.877 28.863 43.701 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.476 32.215 45.177 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.180 29.527 48.384 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.186 31.779 47.731 1.00 0.00 H new ATOM 692 N TYR A 46 26.112 29.474 44.667 1.00 0.00 N ATOM 693 CA TYR A 46 27.157 28.486 44.907 1.00 0.00 C ATOM 694 C TYR A 46 26.584 27.072 44.883 1.00 0.00 C ATOM 695 O TYR A 46 27.270 26.119 44.514 1.00 0.00 O ATOM 696 CB TYR A 46 27.839 28.750 46.250 1.00 0.00 C ATOM 697 CG TYR A 46 28.881 29.844 46.195 1.00 0.00 C ATOM 698 CD1 TYR A 46 30.033 29.697 45.433 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.712 31.027 46.904 1.00 0.00 C ATOM 700 CE1 TYR A 46 30.988 30.694 45.381 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.660 32.031 46.857 1.00 0.00 C ATOM 702 CZ TYR A 46 30.797 31.859 46.094 1.00 0.00 C ATOM 703 OH TYR A 46 31.744 32.855 46.043 1.00 0.00 O ATOM 0 H TYR A 46 26.064 30.215 45.367 1.00 0.00 H new ATOM 0 HA TYR A 46 27.895 28.573 44.110 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.081 29.018 46.986 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.309 27.829 46.597 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.185 28.787 44.871 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.824 31.164 47.503 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.879 30.562 44.785 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.512 32.945 47.414 1.00 0.00 H new ATOM 0 HH TYR A 46 32.197 32.831 45.175 1.00 0.00 H new ATOM 713 N SER A 47 25.322 26.945 45.279 1.00 0.00 N ATOM 714 CA SER A 47 24.656 25.648 45.308 1.00 0.00 C ATOM 715 C SER A 47 24.786 24.941 43.961 1.00 0.00 C ATOM 716 O SER A 47 24.819 23.713 43.894 1.00 0.00 O ATOM 717 CB SER A 47 23.179 25.816 45.668 1.00 0.00 C ATOM 718 OG SER A 47 22.537 26.716 44.781 1.00 0.00 O ATOM 0 H SER A 47 24.740 27.725 45.584 1.00 0.00 H new ATOM 0 HA SER A 47 25.140 25.036 46.069 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.680 24.847 45.632 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.090 26.183 46.691 1.00 0.00 H new ATOM 0 HG SER A 47 22.407 27.578 45.228 1.00 0.00 H new ATOM 724 N GLU A 48 24.858 25.728 42.892 1.00 0.00 N ATOM 725 CA GLU A 48 24.983 25.178 41.547 1.00 0.00 C ATOM 726 C GLU A 48 26.447 25.112 41.120 1.00 0.00 C ATOM 727 O GLU A 48 26.825 24.286 40.289 1.00 0.00 O ATOM 728 CB GLU A 48 24.188 26.024 40.551 1.00 0.00 C ATOM 729 CG GLU A 48 22.740 25.589 40.402 1.00 0.00 C ATOM 730 CD GLU A 48 21.993 25.588 41.722 1.00 0.00 C ATOM 731 OE1 GLU A 48 22.127 24.605 42.480 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.274 26.572 41.997 1.00 0.00 O ATOM 0 H GLU A 48 24.832 26.747 42.931 1.00 0.00 H new ATOM 0 HA GLU A 48 24.579 24.166 41.557 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.214 27.066 40.870 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.675 25.976 39.577 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.234 26.255 39.703 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.707 24.589 39.969 1.00 0.00 H new ATOM 739 N PHE A 49 27.265 25.987 41.695 1.00 0.00 N ATOM 740 CA PHE A 49 28.687 26.029 41.374 1.00 0.00 C ATOM 741 C PHE A 49 29.318 24.648 41.518 1.00 0.00 C ATOM 742 O PHE A 49 29.203 24.006 42.562 1.00 0.00 O ATOM 743 CB PHE A 49 29.407 27.029 42.281 1.00 0.00 C ATOM 744 CG PHE A 49 30.897 27.042 42.095 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.451 27.232 40.840 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.744 26.862 43.177 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.822 27.245 40.665 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.116 26.874 43.009 1.00 0.00 C ATOM 749 CZ PHE A 49 33.655 27.064 41.752 1.00 0.00 C ATOM 0 H PHE A 49 26.968 26.676 42.385 1.00 0.00 H new ATOM 0 HA PHE A 49 28.791 26.350 40.337 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.016 28.028 42.089 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.181 26.793 43.321 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.803 27.372 39.987 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.328 26.711 44.162 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.241 27.396 39.681 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.766 26.735 43.860 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.727 27.071 41.619 1.00 0.00 H new ATOM 759 N LYS A 50 29.986 24.196 40.461 1.00 0.00 N ATOM 760 CA LYS A 50 30.637 22.892 40.468 1.00 0.00 C ATOM 761 C LYS A 50 32.148 23.039 40.620 1.00 0.00 C ATOM 762 O LYS A 50 32.890 22.962 39.642 1.00 0.00 O ATOM 763 CB LYS A 50 30.315 22.132 39.179 1.00 0.00 C ATOM 764 CG LYS A 50 28.845 22.173 38.800 1.00 0.00 C ATOM 765 CD LYS A 50 27.973 21.551 39.877 1.00 0.00 C ATOM 766 CE LYS A 50 28.235 20.059 40.013 1.00 0.00 C ATOM 767 NZ LYS A 50 27.306 19.420 40.986 1.00 0.00 N ATOM 0 H LYS A 50 30.090 24.714 39.589 1.00 0.00 H new ATOM 0 HA LYS A 50 30.257 22.328 41.320 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.904 22.551 38.363 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.623 21.093 39.293 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.540 23.206 38.635 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.696 21.643 37.859 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.164 22.043 40.831 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.923 21.717 39.637 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.127 19.581 39.039 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.264 19.899 40.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.516 18.404 41.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.427 19.859 41.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.325 19.551 40.667 1.00 0.00 H new ATOM 781 N GLY A 51 32.596 23.250 41.854 1.00 0.00 N ATOM 782 CA GLY A 51 34.016 23.403 42.111 1.00 0.00 C ATOM 783 C GLY A 51 34.336 23.449 43.592 1.00 0.00 C ATOM 784 O GLY A 51 33.445 23.315 44.431 1.00 0.00 O ATOM 0 H GLY A 51 32.001 23.318 42.680 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.556 22.576 41.651 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.371 24.318 41.637 1.00 0.00 H new ATOM 788 N ASP A 52 35.611 23.637 43.915 1.00 0.00 N ATOM 789 CA ASP A 52 36.046 23.700 45.305 1.00 0.00 C ATOM 790 C ASP A 52 35.776 25.080 45.898 1.00 0.00 C ATOM 791 O ASP A 52 36.502 26.037 45.626 1.00 0.00 O ATOM 792 CB ASP A 52 37.535 23.368 45.411 1.00 0.00 C ATOM 793 CG ASP A 52 37.856 21.977 44.901 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.677 21.735 43.689 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.286 21.131 45.713 1.00 0.00 O ATOM 0 H ASP A 52 36.361 23.748 43.233 1.00 0.00 H new ATOM 0 HA ASP A 52 35.476 22.964 45.872 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.109 24.101 44.844 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.850 23.452 46.451 1.00 0.00 H new ATOM 800 N LEU A 53 34.727 25.175 46.707 1.00 0.00 N ATOM 801 CA LEU A 53 34.360 26.439 47.338 1.00 0.00 C ATOM 802 C LEU A 53 35.380 26.834 48.401 1.00 0.00 C ATOM 803 O LEU A 53 35.384 27.967 48.880 1.00 0.00 O ATOM 804 CB LEU A 53 32.969 26.333 47.964 1.00 0.00 C ATOM 805 CG LEU A 53 31.914 27.299 47.423 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.748 26.532 46.818 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.428 28.230 48.525 1.00 0.00 C ATOM 0 H LEU A 53 34.116 24.393 46.942 1.00 0.00 H new ATOM 0 HA LEU A 53 34.348 27.211 46.569 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.606 25.315 47.824 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.063 26.493 49.038 1.00 0.00 H new ATOM 0 HG LEU A 53 32.370 27.903 46.639 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.007 27.236 46.438 1.00 0.00 H new ATOM 0 HD12 LEU A 53 31.108 25.908 46.000 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.292 25.902 47.581 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.678 28.910 48.122 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.989 27.642 49.331 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.269 28.805 48.912 1.00 0.00 H new ATOM 819 N GLU A 54 36.245 25.891 48.763 1.00 0.00 N ATOM 820 CA GLU A 54 37.271 26.142 49.768 1.00 0.00 C ATOM 821 C GLU A 54 38.421 26.956 49.181 1.00 0.00 C ATOM 822 O GLU A 54 38.987 27.823 49.847 1.00 0.00 O ATOM 823 CB GLU A 54 37.801 24.821 50.329 1.00 0.00 C ATOM 824 CG GLU A 54 38.389 23.903 49.270 1.00 0.00 C ATOM 825 CD GLU A 54 38.069 22.442 49.522 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.638 21.864 50.471 1.00 0.00 O ATOM 827 OE2 GLU A 54 37.248 21.877 48.769 1.00 0.00 O ATOM 0 H GLU A 54 36.255 24.948 48.376 1.00 0.00 H new ATOM 0 HA GLU A 54 36.818 26.716 50.576 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.564 25.034 51.078 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.990 24.301 50.839 1.00 0.00 H new ATOM 0 HG2 GLU A 54 38.006 24.191 48.291 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.471 24.034 49.240 1.00 0.00 H new ATOM 834 N THR A 55 38.761 26.670 47.928 1.00 0.00 N ATOM 835 CA THR A 55 39.843 27.373 47.250 1.00 0.00 C ATOM 836 C THR A 55 39.382 27.930 45.908 1.00 0.00 C ATOM 837 O THR A 55 39.504 27.270 44.875 1.00 0.00 O ATOM 838 CB THR A 55 41.055 26.450 47.021 1.00 0.00 C ATOM 839 OG1 THR A 55 40.686 25.359 46.171 1.00 0.00 O ATOM 840 CG2 THR A 55 41.585 25.914 48.343 1.00 0.00 C ATOM 0 H THR A 55 38.302 25.956 47.362 1.00 0.00 H new ATOM 0 HA THR A 55 40.140 28.197 47.899 1.00 0.00 H new ATOM 0 HB THR A 55 41.842 27.033 46.542 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.194 25.700 45.396 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.440 25.265 48.156 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.893 26.746 48.976 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.802 25.346 48.846 1.00 0.00 H new ATOM 848 N LEU A 56 38.852 29.148 45.929 1.00 0.00 N ATOM 849 CA LEU A 56 38.372 29.795 44.713 1.00 0.00 C ATOM 850 C LEU A 56 38.948 31.201 44.581 1.00 0.00 C ATOM 851 O LEU A 56 39.321 31.629 43.489 1.00 0.00 O ATOM 852 CB LEU A 56 36.844 29.855 44.712 1.00 0.00 C ATOM 853 CG LEU A 56 36.211 30.828 43.717 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.673 30.520 42.302 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.693 30.772 43.808 1.00 0.00 C ATOM 0 H LEU A 56 38.744 29.708 46.775 1.00 0.00 H new ATOM 0 HA LEU A 56 38.706 29.204 43.860 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.461 28.855 44.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.510 30.123 45.714 1.00 0.00 H new ATOM 0 HG LEU A 56 36.533 31.838 43.971 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.212 31.223 41.608 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.758 30.612 42.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.381 29.504 42.037 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.260 31.471 43.093 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.352 29.762 43.581 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.379 31.043 44.816 1.00 0.00 H new ATOM 867 N GLN A 57 39.018 31.914 45.701 1.00 0.00 N ATOM 868 CA GLN A 57 39.550 33.271 45.710 1.00 0.00 C ATOM 869 C GLN A 57 40.907 33.329 45.016 1.00 0.00 C ATOM 870 O GLN A 57 41.613 32.327 44.895 1.00 0.00 O ATOM 871 CB GLN A 57 39.677 33.783 47.146 1.00 0.00 C ATOM 872 CG GLN A 57 40.223 32.746 48.115 1.00 0.00 C ATOM 873 CD GLN A 57 41.007 33.368 49.254 1.00 0.00 C ATOM 874 OE1 GLN A 57 40.524 33.448 50.384 1.00 0.00 O ATOM 875 NE2 GLN A 57 42.223 33.814 48.962 1.00 0.00 N ATOM 0 H GLN A 57 38.713 31.574 46.613 1.00 0.00 H new ATOM 0 HA GLN A 57 38.855 33.909 45.164 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.329 34.656 47.155 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.698 34.113 47.493 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.396 32.165 48.523 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.865 32.051 47.574 1.00 0.00 H new ATOM 0 HE21 GLN A 57 42.584 33.727 48.012 1.00 0.00 H new ATOM 0 HE22 GLN A 57 42.797 34.243 49.688 1.00 0.00 H new ATOM 884 N PRO A 58 41.282 34.528 44.547 1.00 0.00 N ATOM 885 CA PRO A 58 40.450 35.727 44.685 1.00 0.00 C ATOM 886 C PRO A 58 39.200 35.669 43.813 1.00 0.00 C ATOM 887 O PRO A 58 38.094 35.936 44.279 1.00 0.00 O ATOM 888 CB PRO A 58 41.374 36.856 44.219 1.00 0.00 C ATOM 889 CG PRO A 58 42.348 36.195 43.306 1.00 0.00 C ATOM 890 CD PRO A 58 42.547 34.806 43.847 1.00 0.00 C ATOM 0 HA PRO A 58 40.081 35.852 45.703 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.816 37.637 43.704 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.879 37.328 45.062 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.967 36.165 42.285 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.290 36.742 43.279 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.731 34.087 43.049 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.400 34.757 44.524 1.00 0.00 H new ATOM 898 N GLY A 59 39.385 35.317 42.544 1.00 0.00 N ATOM 899 CA GLY A 59 38.263 35.229 41.628 1.00 0.00 C ATOM 900 C GLY A 59 38.582 34.400 40.399 1.00 0.00 C ATOM 901 O GLY A 59 38.627 34.922 39.285 1.00 0.00 O ATOM 0 H GLY A 59 40.291 35.091 42.134 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.409 34.792 42.145 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.970 36.233 41.320 1.00 0.00 H new ATOM 905 N ASP A 60 38.804 33.107 40.602 1.00 0.00 N ATOM 906 CA ASP A 60 39.120 32.203 39.501 1.00 0.00 C ATOM 907 C ASP A 60 38.062 32.290 38.406 1.00 0.00 C ATOM 908 O ASP A 60 36.870 32.403 38.689 1.00 0.00 O ATOM 909 CB ASP A 60 39.230 30.765 40.009 1.00 0.00 C ATOM 910 CG ASP A 60 40.406 30.025 39.403 1.00 0.00 C ATOM 911 OD1 ASP A 60 40.340 29.688 38.203 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.393 29.782 40.129 1.00 0.00 O ATOM 0 H ASP A 60 38.771 32.660 41.518 1.00 0.00 H new ATOM 0 HA ASP A 60 40.079 32.505 39.079 1.00 0.00 H new ATOM 0 HB2 ASP A 60 39.330 30.773 41.094 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.309 30.230 39.777 1.00 0.00 H new ATOM 917 N ASP A 61 38.507 32.237 37.155 1.00 0.00 N ATOM 918 CA ASP A 61 37.599 32.309 36.017 1.00 0.00 C ATOM 919 C ASP A 61 36.550 31.204 36.088 1.00 0.00 C ATOM 920 O ASP A 61 36.863 30.055 36.400 1.00 0.00 O ATOM 921 CB ASP A 61 38.380 32.205 34.706 1.00 0.00 C ATOM 922 CG ASP A 61 39.509 33.213 34.623 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.371 34.309 35.207 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.532 32.906 33.976 1.00 0.00 O ATOM 0 H ASP A 61 39.491 32.144 36.904 1.00 0.00 H new ATOM 0 HA ASP A 61 37.089 33.272 36.051 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.787 31.199 34.608 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.699 32.356 33.868 1.00 0.00 H new ATOM 929 N VAL A 62 35.302 31.560 35.797 1.00 0.00 N ATOM 930 CA VAL A 62 34.207 30.598 35.828 1.00 0.00 C ATOM 931 C VAL A 62 33.287 30.775 34.625 1.00 0.00 C ATOM 932 O VAL A 62 33.190 31.864 34.060 1.00 0.00 O ATOM 933 CB VAL A 62 33.377 30.734 37.118 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.203 30.327 38.329 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.857 32.155 37.271 1.00 0.00 C ATOM 0 H VAL A 62 35.025 32.507 35.537 1.00 0.00 H new ATOM 0 HA VAL A 62 34.656 29.605 35.796 1.00 0.00 H new ATOM 0 HB VAL A 62 32.520 30.064 37.050 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.600 30.429 39.232 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.521 29.290 38.221 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.080 30.970 38.404 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.273 32.232 38.188 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.698 32.847 37.317 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.227 32.406 36.418 1.00 0.00 H new ATOM 945 N GLU A 63 32.613 29.696 34.239 1.00 0.00 N ATOM 946 CA GLU A 63 31.700 29.733 33.102 1.00 0.00 C ATOM 947 C GLU A 63 30.268 29.448 33.544 1.00 0.00 C ATOM 948 O GLU A 63 30.039 28.786 34.556 1.00 0.00 O ATOM 949 CB GLU A 63 32.130 28.716 32.042 1.00 0.00 C ATOM 950 CG GLU A 63 31.550 28.991 30.665 1.00 0.00 C ATOM 951 CD GLU A 63 30.542 27.942 30.236 1.00 0.00 C ATOM 952 OE1 GLU A 63 30.956 26.943 29.611 1.00 0.00 O ATOM 953 OE2 GLU A 63 29.340 28.120 30.525 1.00 0.00 O ATOM 0 H GLU A 63 32.682 28.787 34.696 1.00 0.00 H new ATOM 0 HA GLU A 63 31.736 30.734 32.672 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.218 28.712 31.975 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.827 27.719 32.362 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.072 29.970 30.665 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.359 29.032 29.936 1.00 0.00 H new ATOM 960 N PHE A 64 29.307 29.955 32.779 1.00 0.00 N ATOM 961 CA PHE A 64 27.896 29.757 33.092 1.00 0.00 C ATOM 962 C PHE A 64 27.034 29.918 31.843 1.00 0.00 C ATOM 963 O PHE A 64 27.512 30.358 30.797 1.00 0.00 O ATOM 964 CB PHE A 64 27.447 30.749 34.167 1.00 0.00 C ATOM 965 CG PHE A 64 27.832 32.170 33.871 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.064 32.946 33.017 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.961 32.730 34.446 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.417 34.253 32.742 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.319 34.037 34.175 1.00 0.00 C ATOM 970 CZ PHE A 64 28.545 34.800 33.323 1.00 0.00 C ATOM 0 H PHE A 64 29.479 30.506 31.938 1.00 0.00 H new ATOM 0 HA PHE A 64 27.772 28.742 33.469 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.364 30.690 34.275 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.879 30.456 35.124 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.180 32.524 32.562 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.569 32.138 35.114 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.812 34.847 32.073 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.203 34.461 34.629 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.821 35.822 33.111 1.00 0.00 H new ATOM 980 N THR A 65 25.760 29.558 31.960 1.00 0.00 N ATOM 981 CA THR A 65 24.831 29.660 30.842 1.00 0.00 C ATOM 982 C THR A 65 23.518 30.303 31.275 1.00 0.00 C ATOM 983 O THR A 65 22.672 29.655 31.891 1.00 0.00 O ATOM 984 CB THR A 65 24.535 28.278 30.230 1.00 0.00 C ATOM 985 OG1 THR A 65 25.757 27.640 29.845 1.00 0.00 O ATOM 986 CG2 THR A 65 23.621 28.407 29.020 1.00 0.00 C ATOM 0 H THR A 65 25.348 29.193 32.819 1.00 0.00 H new ATOM 0 HA THR A 65 25.309 30.288 30.090 1.00 0.00 H new ATOM 0 HB THR A 65 24.032 27.672 30.983 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.560 26.761 29.458 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.426 27.418 28.604 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.680 28.866 29.322 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.102 29.029 28.265 1.00 0.00 H new ATOM 994 N ILE A 66 23.355 31.581 30.949 1.00 0.00 N ATOM 995 CA ILE A 66 22.144 32.311 31.303 1.00 0.00 C ATOM 996 C ILE A 66 20.943 31.796 30.518 1.00 0.00 C ATOM 997 O ILE A 66 20.993 31.672 29.294 1.00 0.00 O ATOM 998 CB ILE A 66 22.302 33.821 31.046 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.603 34.333 31.666 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.108 34.581 31.605 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.635 34.754 30.643 1.00 0.00 C ATOM 0 H ILE A 66 24.046 32.132 30.440 1.00 0.00 H new ATOM 0 HA ILE A 66 21.976 32.148 32.368 1.00 0.00 H new ATOM 0 HB ILE A 66 22.344 33.989 29.970 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.378 35.180 32.314 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.027 33.552 32.298 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.234 35.647 31.416 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.196 34.232 31.121 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.038 34.409 32.679 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.531 35.106 31.154 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.888 33.903 30.010 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.230 35.557 30.027 1.00 0.00 H new ATOM 1013 N LYS A 67 19.861 31.498 31.230 1.00 0.00 N ATOM 1014 CA LYS A 67 18.644 30.999 30.601 1.00 0.00 C ATOM 1015 C LYS A 67 17.615 32.114 30.447 1.00 0.00 C ATOM 1016 O LYS A 67 17.838 33.243 30.885 1.00 0.00 O ATOM 1017 CB LYS A 67 18.052 29.854 31.427 1.00 0.00 C ATOM 1018 CG LYS A 67 18.608 28.489 31.061 1.00 0.00 C ATOM 1019 CD LYS A 67 19.743 28.084 31.986 1.00 0.00 C ATOM 1020 CE LYS A 67 20.336 26.741 31.585 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.376 25.624 31.801 1.00 0.00 N ATOM 0 H LYS A 67 19.802 31.594 32.244 1.00 0.00 H new ATOM 0 HA LYS A 67 18.902 30.628 29.609 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.242 30.043 32.483 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.970 29.844 31.295 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.813 27.745 31.112 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.964 28.504 30.031 1.00 0.00 H new ATOM 0 HD2 LYS A 67 20.521 28.847 31.965 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.377 28.030 33.011 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.627 26.772 30.535 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.242 26.557 32.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.855 24.717 31.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.026 25.651 32.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.575 25.723 31.145 1.00 0.00 H new ATOM 1129 N VAL A 74 19.859 35.372 35.712 1.00 0.00 N ATOM 1130 CA VAL A 74 20.587 34.550 36.671 1.00 0.00 C ATOM 1131 C VAL A 74 21.358 33.438 35.969 1.00 0.00 C ATOM 1132 O VAL A 74 20.879 32.856 34.997 1.00 0.00 O ATOM 1133 CB VAL A 74 19.636 33.925 37.709 1.00 0.00 C ATOM 1134 CG1 VAL A 74 18.860 35.007 38.443 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.690 32.940 37.039 1.00 0.00 C ATOM 0 HA VAL A 74 21.290 35.207 37.182 1.00 0.00 H new ATOM 0 HB VAL A 74 20.233 33.380 38.441 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.194 34.546 39.172 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.557 35.670 38.956 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.273 35.582 37.727 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.025 32.508 37.787 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.099 33.459 36.285 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.267 32.146 36.565 1.00 0.00 H new ATOM 1145 N ALA A 75 22.555 33.148 36.469 1.00 0.00 N ATOM 1146 CA ALA A 75 23.391 32.104 35.891 1.00 0.00 C ATOM 1147 C ALA A 75 23.228 30.789 36.646 1.00 0.00 C ATOM 1148 O ALA A 75 23.292 30.754 37.876 1.00 0.00 O ATOM 1149 CB ALA A 75 24.850 32.537 35.891 1.00 0.00 C ATOM 0 H ALA A 75 22.967 33.622 37.273 1.00 0.00 H new ATOM 0 HA ALA A 75 23.070 31.944 34.862 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.464 31.748 35.457 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.959 33.448 35.302 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.173 32.726 36.915 1.00 0.00 H new ATOM 1155 N THR A 76 23.016 29.708 35.903 1.00 0.00 N ATOM 1156 CA THR A 76 22.841 28.391 36.502 1.00 0.00 C ATOM 1157 C THR A 76 23.909 27.419 36.014 1.00 0.00 C ATOM 1158 O THR A 76 24.452 27.576 34.920 1.00 0.00 O ATOM 1159 CB THR A 76 21.450 27.809 36.185 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.928 28.410 34.994 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.489 28.044 37.341 1.00 0.00 C ATOM 0 H THR A 76 22.961 29.719 34.885 1.00 0.00 H new ATOM 0 HA THR A 76 22.935 28.520 37.580 1.00 0.00 H new ATOM 0 HB THR A 76 21.555 26.735 36.034 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.969 28.580 35.107 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.514 27.625 37.094 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.875 27.561 38.239 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.389 29.115 37.519 1.00 0.00 H new ATOM 1169 N ASP A 77 24.205 26.414 36.830 1.00 0.00 N ATOM 1170 CA ASP A 77 25.208 25.414 36.480 1.00 0.00 C ATOM 1171 C ASP A 77 26.550 26.073 36.178 1.00 0.00 C ATOM 1172 O ASP A 77 27.035 26.029 35.047 1.00 0.00 O ATOM 1173 CB ASP A 77 24.744 24.596 35.274 1.00 0.00 C ATOM 1174 CG ASP A 77 25.561 23.333 35.082 1.00 0.00 C ATOM 1175 OD1 ASP A 77 25.321 22.355 35.820 1.00 0.00 O ATOM 1176 OD2 ASP A 77 26.440 23.324 34.195 1.00 0.00 O ATOM 0 H ASP A 77 23.765 26.270 37.739 1.00 0.00 H new ATOM 0 HA ASP A 77 25.335 24.748 37.334 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.694 24.331 35.401 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.811 25.209 34.375 1.00 0.00 H new ATOM 1181 N VAL A 78 27.145 26.686 37.197 1.00 0.00 N ATOM 1182 CA VAL A 78 28.432 27.354 37.040 1.00 0.00 C ATOM 1183 C VAL A 78 29.582 26.358 37.121 1.00 0.00 C ATOM 1184 O VAL A 78 29.680 25.583 38.073 1.00 0.00 O ATOM 1185 CB VAL A 78 28.633 28.442 38.112 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.002 29.088 37.968 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.530 29.487 38.023 1.00 0.00 C ATOM 0 H VAL A 78 26.757 26.734 38.139 1.00 0.00 H new ATOM 0 HA VAL A 78 28.429 27.820 36.055 1.00 0.00 H new ATOM 0 HB VAL A 78 28.581 27.973 39.095 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.125 29.854 38.734 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.776 28.330 38.085 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.087 29.544 36.982 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.687 30.248 38.787 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.549 29.953 37.038 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.563 29.009 38.180 1.00 0.00 H new ATOM 1197 N ARG A 79 30.452 26.384 36.117 1.00 0.00 N ATOM 1198 CA ARG A 79 31.597 25.482 36.074 1.00 0.00 C ATOM 1199 C ARG A 79 32.903 26.265 35.981 1.00 0.00 C ATOM 1200 O ARG A 79 33.063 27.125 35.113 1.00 0.00 O ATOM 1201 CB ARG A 79 31.477 24.527 34.885 1.00 0.00 C ATOM 1202 CG ARG A 79 31.360 25.234 33.545 1.00 0.00 C ATOM 1203 CD ARG A 79 30.425 24.492 32.603 1.00 0.00 C ATOM 1204 NE ARG A 79 31.004 24.330 31.272 1.00 0.00 N ATOM 1205 CZ ARG A 79 30.497 23.528 30.343 1.00 0.00 C ATOM 1206 NH1 ARG A 79 29.406 22.819 30.598 1.00 0.00 N ATOM 1207 NH2 ARG A 79 31.080 23.435 29.155 1.00 0.00 N ATOM 0 H ARG A 79 30.386 27.020 35.322 1.00 0.00 H new ATOM 0 HA ARG A 79 31.606 24.903 36.997 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.349 23.873 34.866 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.604 23.891 35.028 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.993 26.249 33.699 1.00 0.00 H new ATOM 0 HG3 ARG A 79 32.347 25.317 33.089 1.00 0.00 H new ATOM 0 HD2 ARG A 79 30.194 23.512 33.020 1.00 0.00 H new ATOM 0 HD3 ARG A 79 29.483 25.035 32.525 1.00 0.00 H new ATOM 0 HE ARG A 79 31.844 24.862 31.044 1.00 0.00 H new ATOM 0 HH11 ARG A 79 28.954 22.889 31.510 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.019 22.204 29.882 1.00 0.00 H new ATOM 0 HH21 ARG A 79 31.919 23.980 28.954 1.00 0.00 H new ATOM 0 HH22 ARG A 79 30.690 22.819 28.442 1.00 0.00 H new ATOM 1221 N LEU A 80 33.834 25.963 36.879 1.00 0.00 N ATOM 1222 CA LEU A 80 35.126 26.639 36.899 1.00 0.00 C ATOM 1223 C LEU A 80 35.810 26.546 35.539 1.00 0.00 C ATOM 1224 O LEU A 80 35.573 25.608 34.776 1.00 0.00 O ATOM 1225 CB LEU A 80 36.025 26.032 37.978 1.00 0.00 C ATOM 1226 CG LEU A 80 36.240 26.883 39.229 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.991 26.093 40.290 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.991 28.161 38.883 1.00 0.00 C ATOM 0 H LEU A 80 33.718 25.254 37.603 1.00 0.00 H new ATOM 0 HA LEU A 80 34.955 27.691 37.128 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.599 25.076 38.282 1.00 0.00 H new ATOM 0 HB3 LEU A 80 36.998 25.821 37.535 1.00 0.00 H new ATOM 0 HG LEU A 80 35.264 27.156 39.631 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.135 26.715 41.173 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.415 25.208 40.560 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.962 25.789 39.898 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.135 28.754 39.786 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.962 27.908 38.456 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.415 28.737 38.159 1.00 0.00 H new ATOM 1240 N LEU A 81 36.661 27.522 35.242 1.00 0.00 N ATOM 1241 CA LEU A 81 37.383 27.549 33.975 1.00 0.00 C ATOM 1242 C LEU A 81 38.810 27.040 34.149 1.00 0.00 C ATOM 1243 O LEU A 81 39.361 27.029 35.251 1.00 0.00 O ATOM 1244 CB LEU A 81 37.401 28.968 33.406 1.00 0.00 C ATOM 1245 CG LEU A 81 36.159 29.393 32.620 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.235 30.868 32.259 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.004 28.542 31.368 1.00 0.00 C ATOM 0 H LEU A 81 36.868 28.305 35.862 1.00 0.00 H new ATOM 0 HA LEU A 81 36.866 26.891 33.277 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.541 29.667 34.231 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.269 29.066 32.755 1.00 0.00 H new ATOM 0 HG LEU A 81 35.283 29.240 33.250 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.343 31.152 31.700 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.297 31.463 33.170 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.119 31.048 31.647 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.116 28.858 30.821 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.883 28.664 30.734 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.903 27.494 31.651 1.00 0.00 H new ATOM 1259 N PRO A 82 39.426 26.611 33.038 1.00 0.00 N ATOM 1260 CA PRO A 82 40.799 26.097 33.042 1.00 0.00 C ATOM 1261 C PRO A 82 41.827 27.191 33.307 1.00 0.00 C ATOM 1262 O PRO A 82 41.688 28.315 32.826 1.00 0.00 O ATOM 1263 CB PRO A 82 40.970 25.533 31.629 1.00 0.00 C ATOM 1264 CG PRO A 82 40.001 26.297 30.796 1.00 0.00 C ATOM 1265 CD PRO A 82 38.830 26.596 31.691 1.00 0.00 C ATOM 0 HA PRO A 82 40.957 25.362 33.831 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.991 25.666 31.271 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.759 24.464 31.601 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.450 27.217 30.420 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.690 25.716 29.928 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.370 27.553 31.444 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.053 25.837 31.604 1.00 0.00 H new