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 45 HIS : no HD1:sc= 0 X(o=0.9,f=0.76) USER MOD Set 1.2: A 47 SER OG : rot 84:sc= 0.896 USER MOD Set 2.1: A 26 MET CE :methyl -160:sc= -0.719 (180deg=-1.08) USER MOD Set 2.2: A 46 TYR OH : rot 130:sc= -1.21 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 24 CYS SG : rot 120:sc= 0.513 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 42:sc= 1.11 USER MOD Single : A 57 GLN : amide:sc= -0.0459 K(o=-0.046,f=-0.56) 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 28.927 32.216 28.011 1.00 0.00 N ATOM 272 CA CYS A 19 29.251 33.454 28.712 1.00 0.00 C ATOM 273 C CYS A 19 30.033 33.167 29.989 1.00 0.00 C ATOM 274 O CYS A 19 29.564 32.442 30.866 1.00 0.00 O ATOM 275 CB CYS A 19 27.972 34.224 29.045 1.00 0.00 C ATOM 276 SG CYS A 19 27.456 35.388 27.761 1.00 0.00 S ATOM 0 HA CYS A 19 29.873 34.063 28.056 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.166 33.511 29.219 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.121 34.770 29.977 1.00 0.00 H new ATOM 0 HG CYS A 19 26.365 35.989 28.133 1.00 0.00 H new ATOM 282 N GLN A 20 31.230 33.738 30.085 1.00 0.00 N ATOM 283 CA GLN A 20 32.078 33.541 31.254 1.00 0.00 C ATOM 284 C GLN A 20 32.762 34.844 31.656 1.00 0.00 C ATOM 285 O GLN A 20 32.789 35.805 30.889 1.00 0.00 O ATOM 286 CB GLN A 20 33.129 32.466 30.973 1.00 0.00 C ATOM 287 CG GLN A 20 34.193 32.900 29.978 1.00 0.00 C ATOM 288 CD GLN A 20 34.360 31.918 28.836 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.401 31.598 28.132 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.581 31.434 28.644 1.00 0.00 N ATOM 0 H GLN A 20 31.634 34.340 29.367 1.00 0.00 H new ATOM 0 HA GLN A 20 31.445 33.214 32.079 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.612 32.188 31.910 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.631 31.574 30.594 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.931 33.878 29.575 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.145 33.014 30.497 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.347 31.726 29.251 1.00 0.00 H new ATOM 0 HE22 GLN A 20 35.753 30.770 27.889 1.00 0.00 H new ATOM 299 N GLY A 21 33.315 34.868 32.865 1.00 0.00 N ATOM 300 CA GLY A 21 33.991 36.058 33.348 1.00 0.00 C ATOM 301 C GLY A 21 34.862 35.780 34.557 1.00 0.00 C ATOM 302 O GLY A 21 35.493 34.726 34.648 1.00 0.00 O ATOM 0 H GLY A 21 33.307 34.085 33.518 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.606 36.472 32.549 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.249 36.814 33.605 1.00 0.00 H new ATOM 306 N VAL A 22 34.899 36.728 35.488 1.00 0.00 N ATOM 307 CA VAL A 22 35.700 36.580 36.698 1.00 0.00 C ATOM 308 C VAL A 22 34.874 36.882 37.944 1.00 0.00 C ATOM 309 O VAL A 22 34.222 37.922 38.032 1.00 0.00 O ATOM 310 CB VAL A 22 36.930 37.506 36.673 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.851 37.203 37.845 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.672 37.371 35.353 1.00 0.00 C ATOM 0 H VAL A 22 34.384 37.606 35.428 1.00 0.00 H new ATOM 0 HA VAL A 22 36.036 35.544 36.731 1.00 0.00 H new ATOM 0 HB VAL A 22 36.588 38.537 36.767 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.714 37.867 37.810 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.312 37.356 38.780 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.187 36.168 37.785 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.538 38.033 35.353 1.00 0.00 H new ATOM 0 HG22 VAL A 22 38.003 36.340 35.225 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.008 37.643 34.533 1.00 0.00 H new ATOM 322 N VAL A 23 34.907 35.965 38.905 1.00 0.00 N ATOM 323 CA VAL A 23 34.163 36.133 40.148 1.00 0.00 C ATOM 324 C VAL A 23 34.461 37.485 40.788 1.00 0.00 C ATOM 325 O VAL A 23 35.525 37.685 41.374 1.00 0.00 O ATOM 326 CB VAL A 23 34.494 35.017 41.156 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.732 35.227 42.456 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.183 33.652 40.561 1.00 0.00 C ATOM 0 H VAL A 23 35.441 35.098 38.847 1.00 0.00 H new ATOM 0 HA VAL A 23 33.105 36.080 39.893 1.00 0.00 H new ATOM 0 HB VAL A 23 35.560 35.057 41.378 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.979 34.428 43.156 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.010 36.188 42.889 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.661 35.215 42.256 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.423 32.875 41.287 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.124 33.598 40.308 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.779 33.503 39.660 1.00 0.00 H new ATOM 338 N CYS A 24 33.514 38.409 40.672 1.00 0.00 N ATOM 339 CA CYS A 24 33.674 39.744 41.239 1.00 0.00 C ATOM 340 C CYS A 24 33.280 39.759 42.712 1.00 0.00 C ATOM 341 O CYS A 24 34.038 40.225 43.562 1.00 0.00 O ATOM 342 CB CYS A 24 32.830 40.755 40.462 1.00 0.00 C ATOM 343 SG CYS A 24 32.821 42.415 41.179 1.00 0.00 S ATOM 0 H CYS A 24 32.627 38.259 40.191 1.00 0.00 H new ATOM 0 HA CYS A 24 34.725 40.023 41.160 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.203 40.814 39.440 1.00 0.00 H new ATOM 0 HB3 CYS A 24 31.805 40.389 40.406 1.00 0.00 H new ATOM 0 HG CYS A 24 33.303 43.262 40.318 1.00 0.00 H new ATOM 349 N ALA A 25 32.089 39.248 43.006 1.00 0.00 N ATOM 350 CA ALA A 25 31.594 39.203 44.376 1.00 0.00 C ATOM 351 C ALA A 25 31.918 37.866 45.033 1.00 0.00 C ATOM 352 O ALA A 25 31.846 36.816 44.394 1.00 0.00 O ATOM 353 CB ALA A 25 30.094 39.458 44.405 1.00 0.00 C ATOM 0 H ALA A 25 31.449 38.859 42.313 1.00 0.00 H new ATOM 0 HA ALA A 25 32.095 39.988 44.943 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.739 39.421 45.435 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.884 40.441 43.983 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.584 38.695 43.818 1.00 0.00 H new ATOM 359 N MET A 26 32.275 37.911 46.312 1.00 0.00 N ATOM 360 CA MET A 26 32.609 36.701 47.055 1.00 0.00 C ATOM 361 C MET A 26 31.911 36.685 48.411 1.00 0.00 C ATOM 362 O MET A 26 32.247 37.464 49.304 1.00 0.00 O ATOM 363 CB MET A 26 34.124 36.597 47.248 1.00 0.00 C ATOM 364 CG MET A 26 34.846 35.985 46.059 1.00 0.00 C ATOM 365 SD MET A 26 36.024 34.708 46.545 1.00 0.00 S ATOM 366 CE MET A 26 34.996 33.245 46.447 1.00 0.00 C ATOM 0 H MET A 26 32.341 38.772 46.856 1.00 0.00 H new ATOM 0 HA MET A 26 32.263 35.844 46.478 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.528 37.592 47.435 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.329 35.998 48.135 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.113 35.557 45.375 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.371 36.770 45.514 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.443 32.446 47.038 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.003 33.472 46.835 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.916 32.926 45.408 1.00 0.00 H new ATOM 376 N LYS A 27 30.936 35.794 48.559 1.00 0.00 N ATOM 377 CA LYS A 27 30.190 35.676 49.806 1.00 0.00 C ATOM 378 C LYS A 27 30.102 34.219 50.251 1.00 0.00 C ATOM 379 O LYS A 27 30.529 33.315 49.534 1.00 0.00 O ATOM 380 CB LYS A 27 28.784 36.256 49.640 1.00 0.00 C ATOM 381 CG LYS A 27 28.282 36.997 50.867 1.00 0.00 C ATOM 382 CD LYS A 27 28.031 38.465 50.569 1.00 0.00 C ATOM 383 CE LYS A 27 27.041 39.073 51.550 1.00 0.00 C ATOM 384 NZ LYS A 27 27.646 40.189 52.328 1.00 0.00 N ATOM 0 H LYS A 27 30.644 35.143 47.830 1.00 0.00 H new ATOM 0 HA LYS A 27 30.720 36.240 50.573 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.779 36.936 48.788 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.092 35.447 49.406 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.361 36.534 51.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.013 36.908 51.671 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.972 39.012 50.615 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.650 38.571 49.553 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.170 39.439 51.007 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.688 38.302 52.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.940 40.577 52.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.462 39.834 52.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.960 40.936 51.676 1.00 0.00 H new ATOM 398 N GLU A 28 29.544 34.001 51.438 1.00 0.00 N ATOM 399 CA GLU A 28 29.399 32.653 51.976 1.00 0.00 C ATOM 400 C GLU A 28 28.026 32.078 51.642 1.00 0.00 C ATOM 401 O GLU A 28 27.363 31.490 52.496 1.00 0.00 O ATOM 402 CB GLU A 28 29.606 32.661 53.492 1.00 0.00 C ATOM 403 CG GLU A 28 31.064 32.757 53.907 1.00 0.00 C ATOM 404 CD GLU A 28 31.626 34.156 53.747 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.830 35.118 53.744 1.00 0.00 O ATOM 406 OE2 GLU A 28 32.862 34.289 53.624 1.00 0.00 O ATOM 0 H GLU A 28 29.186 34.739 52.044 1.00 0.00 H new ATOM 0 HA GLU A 28 30.159 32.022 51.516 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.059 33.501 53.920 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.176 31.752 53.914 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.163 32.447 54.947 1.00 0.00 H new ATOM 0 HG3 GLU A 28 31.654 32.062 53.310 1.00 0.00 H new ATOM 413 N ALA A 29 27.606 32.253 50.393 1.00 0.00 N ATOM 414 CA ALA A 29 26.313 31.750 49.945 1.00 0.00 C ATOM 415 C ALA A 29 26.139 31.945 48.443 1.00 0.00 C ATOM 416 O ALA A 29 25.662 31.052 47.742 1.00 0.00 O ATOM 417 CB ALA A 29 25.188 32.440 50.702 1.00 0.00 C ATOM 0 H ALA A 29 28.142 32.739 49.674 1.00 0.00 H new ATOM 0 HA ALA A 29 26.275 30.681 50.153 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.228 32.055 50.358 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.295 32.246 51.769 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.234 33.514 50.522 1.00 0.00 H new ATOM 423 N PHE A 30 26.528 33.118 47.954 1.00 0.00 N ATOM 424 CA PHE A 30 26.413 33.430 46.534 1.00 0.00 C ATOM 425 C PHE A 30 27.432 34.491 46.127 1.00 0.00 C ATOM 426 O PHE A 30 28.090 35.094 46.974 1.00 0.00 O ATOM 427 CB PHE A 30 24.999 33.915 46.209 1.00 0.00 C ATOM 428 CG PHE A 30 24.480 34.940 47.176 1.00 0.00 C ATOM 429 CD1 PHE A 30 25.077 36.187 47.270 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.394 34.658 47.990 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.601 37.132 48.160 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.914 35.600 48.880 1.00 0.00 C ATOM 433 CZ PHE A 30 23.518 36.839 48.965 1.00 0.00 C ATOM 0 H PHE A 30 26.925 33.868 48.520 1.00 0.00 H new ATOM 0 HA PHE A 30 26.616 32.520 45.970 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.990 34.338 45.204 1.00 0.00 H new ATOM 0 HB3 PHE A 30 24.323 33.060 46.201 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.923 36.423 46.642 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.917 33.691 47.928 1.00 0.00 H new ATOM 0 HE1 PHE A 30 25.076 38.100 48.226 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.067 35.367 49.509 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.144 37.577 49.659 1.00 0.00 H new ATOM 443 N GLY A 31 27.557 34.713 44.822 1.00 0.00 N ATOM 444 CA GLY A 31 28.498 35.699 44.324 1.00 0.00 C ATOM 445 C GLY A 31 28.092 36.257 42.974 1.00 0.00 C ATOM 446 O GLY A 31 26.974 36.030 42.510 1.00 0.00 O ATOM 0 H GLY A 31 27.023 34.228 44.101 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.578 36.515 45.042 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.486 35.246 44.244 1.00 0.00 H new ATOM 450 N PHE A 32 29.002 36.991 42.341 1.00 0.00 N ATOM 451 CA PHE A 32 28.732 37.585 41.037 1.00 0.00 C ATOM 452 C PHE A 32 29.871 37.300 40.063 1.00 0.00 C ATOM 453 O PHE A 32 30.889 36.715 40.436 1.00 0.00 O ATOM 454 CB PHE A 32 28.529 39.096 41.174 1.00 0.00 C ATOM 455 CG PHE A 32 27.132 39.479 41.572 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.116 39.519 40.631 1.00 0.00 C ATOM 457 CD2 PHE A 32 26.836 39.800 42.887 1.00 0.00 C ATOM 458 CE1 PHE A 32 24.829 39.871 40.995 1.00 0.00 C ATOM 459 CE2 PHE A 32 25.551 40.152 43.256 1.00 0.00 C ATOM 460 CZ PHE A 32 24.547 40.189 42.308 1.00 0.00 C ATOM 0 H PHE A 32 29.932 37.188 42.710 1.00 0.00 H new ATOM 0 HA PHE A 32 27.820 37.137 40.643 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.228 39.483 41.915 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.772 39.575 40.226 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.331 39.273 39.602 1.00 0.00 H new ATOM 0 HD2 PHE A 32 27.618 39.775 43.632 1.00 0.00 H new ATOM 0 HE1 PHE A 32 24.045 39.897 40.252 1.00 0.00 H new ATOM 0 HE2 PHE A 32 25.332 40.398 44.285 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.543 40.466 42.594 1.00 0.00 H new ATOM 470 N ILE A 33 29.693 37.717 38.814 1.00 0.00 N ATOM 471 CA ILE A 33 30.705 37.508 37.787 1.00 0.00 C ATOM 472 C ILE A 33 30.857 38.742 36.904 1.00 0.00 C ATOM 473 O ILE A 33 29.881 39.238 36.342 1.00 0.00 O ATOM 474 CB ILE A 33 30.365 36.295 36.901 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.161 35.047 37.762 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.465 36.064 35.875 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.569 33.880 37.004 1.00 0.00 C ATOM 0 H ILE A 33 28.857 38.202 38.489 1.00 0.00 H new ATOM 0 HA ILE A 33 31.645 37.318 38.305 1.00 0.00 H new ATOM 0 HB ILE A 33 29.436 36.501 36.369 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.120 34.746 38.185 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.508 35.295 38.598 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.211 35.203 35.256 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.566 36.947 35.244 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.408 35.876 36.389 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.452 33.031 37.677 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.595 34.162 36.604 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.232 33.605 36.184 1.00 0.00 H new ATOM 489 N GLU A 34 32.087 39.231 36.786 1.00 0.00 N ATOM 490 CA GLU A 34 32.366 40.407 35.971 1.00 0.00 C ATOM 491 C GLU A 34 32.410 40.044 34.489 1.00 0.00 C ATOM 492 O GLU A 34 33.040 39.061 34.099 1.00 0.00 O ATOM 493 CB GLU A 34 33.693 41.044 36.390 1.00 0.00 C ATOM 494 CG GLU A 34 33.629 42.557 36.517 1.00 0.00 C ATOM 495 CD GLU A 34 33.018 43.007 37.830 1.00 0.00 C ATOM 496 OE1 GLU A 34 31.921 42.517 38.172 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.636 43.849 38.514 1.00 0.00 O ATOM 0 H GLU A 34 32.906 38.831 37.244 1.00 0.00 H new ATOM 0 HA GLU A 34 31.561 41.125 36.129 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.004 40.621 37.345 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.459 40.781 35.660 1.00 0.00 H new ATOM 0 HG2 GLU A 34 34.635 42.968 36.429 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.045 42.963 35.691 1.00 0.00 H new ATOM 601 N GLU A 41 26.047 41.508 33.376 1.00 0.00 N ATOM 602 CA GLU A 41 26.423 40.621 34.470 1.00 0.00 C ATOM 603 C GLU A 41 25.254 39.727 34.873 1.00 0.00 C ATOM 604 O GLU A 41 24.116 39.953 34.460 1.00 0.00 O ATOM 605 CB GLU A 41 26.895 41.436 35.677 1.00 0.00 C ATOM 606 CG GLU A 41 25.829 42.360 36.241 1.00 0.00 C ATOM 607 CD GLU A 41 26.096 43.819 35.926 1.00 0.00 C ATOM 608 OE1 GLU A 41 27.125 44.349 36.393 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.274 44.431 35.211 1.00 0.00 O ATOM 0 HA GLU A 41 27.240 39.987 34.125 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.223 40.753 36.460 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.762 42.029 35.388 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.857 42.077 35.837 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.775 42.229 37.322 1.00 0.00 H new ATOM 616 N ILE A 42 25.543 38.712 35.680 1.00 0.00 N ATOM 617 CA ILE A 42 24.516 37.785 36.138 1.00 0.00 C ATOM 618 C ILE A 42 24.772 37.348 37.577 1.00 0.00 C ATOM 619 O ILE A 42 25.855 37.568 38.120 1.00 0.00 O ATOM 620 CB ILE A 42 24.444 36.536 35.240 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.553 35.549 35.612 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.549 36.931 33.774 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.943 36.138 35.518 1.00 0.00 C ATOM 0 H ILE A 42 26.480 38.511 36.030 1.00 0.00 H new ATOM 0 HA ILE A 42 23.566 38.316 36.085 1.00 0.00 H new ATOM 0 HB ILE A 42 23.482 36.049 35.397 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.386 35.194 36.629 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.490 34.680 34.956 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.497 36.038 33.152 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.728 37.600 33.518 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.498 37.438 33.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.678 35.382 35.796 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.130 36.468 34.496 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.024 36.989 36.194 1.00 0.00 H new ATOM 635 N PHE A 43 23.769 36.728 38.188 1.00 0.00 N ATOM 636 CA PHE A 43 23.885 36.259 39.564 1.00 0.00 C ATOM 637 C PHE A 43 23.803 34.737 39.629 1.00 0.00 C ATOM 638 O PHE A 43 22.857 34.132 39.124 1.00 0.00 O ATOM 639 CB PHE A 43 22.785 36.877 40.431 1.00 0.00 C ATOM 640 CG PHE A 43 22.727 36.310 41.820 1.00 0.00 C ATOM 641 CD1 PHE A 43 23.570 36.783 42.812 1.00 0.00 C ATOM 642 CD2 PHE A 43 21.828 35.303 42.134 1.00 0.00 C ATOM 643 CE1 PHE A 43 23.518 36.262 44.091 1.00 0.00 C ATOM 644 CE2 PHE A 43 21.772 34.778 43.411 1.00 0.00 C ATOM 645 CZ PHE A 43 22.617 35.259 44.391 1.00 0.00 C ATOM 0 H PHE A 43 22.866 36.538 37.752 1.00 0.00 H new ATOM 0 HA PHE A 43 24.857 36.570 39.946 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.944 37.954 40.493 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.822 36.725 39.945 1.00 0.00 H new ATOM 0 HD1 PHE A 43 24.276 37.568 42.583 1.00 0.00 H new ATOM 0 HD2 PHE A 43 21.163 34.924 41.372 1.00 0.00 H new ATOM 0 HE1 PHE A 43 24.181 36.639 44.855 1.00 0.00 H new ATOM 0 HE2 PHE A 43 21.068 33.992 43.642 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.574 34.852 45.390 1.00 0.00 H new ATOM 655 N PHE A 44 24.803 34.123 40.254 1.00 0.00 N ATOM 656 CA PHE A 44 24.846 32.671 40.384 1.00 0.00 C ATOM 657 C PHE A 44 24.898 32.258 41.852 1.00 0.00 C ATOM 658 O PHE A 44 25.411 32.991 42.697 1.00 0.00 O ATOM 659 CB PHE A 44 26.059 32.107 39.640 1.00 0.00 C ATOM 660 CG PHE A 44 27.365 32.378 40.331 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.922 33.646 40.316 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.035 31.363 40.996 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.123 33.899 40.951 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.236 31.610 41.633 1.00 0.00 C ATOM 665 CZ PHE A 44 29.782 32.879 41.610 1.00 0.00 C ATOM 0 H PHE A 44 25.594 34.608 40.678 1.00 0.00 H new ATOM 0 HA PHE A 44 23.936 32.264 39.942 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.935 31.030 39.523 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.092 32.535 38.638 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.411 34.447 39.802 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.614 30.369 41.016 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.546 34.893 40.932 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.748 30.811 42.149 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.722 33.073 42.106 1.00 0.00 H new ATOM 675 N HIS A 45 24.362 31.078 42.147 1.00 0.00 N ATOM 676 CA HIS A 45 24.347 30.566 43.513 1.00 0.00 C ATOM 677 C HIS A 45 25.340 29.419 43.674 1.00 0.00 C ATOM 678 O HIS A 45 25.403 28.517 42.838 1.00 0.00 O ATOM 679 CB HIS A 45 22.942 30.095 43.888 1.00 0.00 C ATOM 680 CG HIS A 45 22.503 30.543 45.249 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.862 29.888 46.408 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.733 31.588 45.631 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.330 30.510 47.445 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.640 31.545 47.001 1.00 0.00 N ATOM 0 H HIS A 45 23.933 30.459 41.459 1.00 0.00 H new ATOM 0 HA HIS A 45 24.641 31.375 44.181 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.234 30.465 43.147 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.909 29.006 43.845 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.277 32.319 44.980 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.441 30.221 48.480 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.122 32.205 47.581 1.00 0.00 H new ATOM 692 N TYR A 46 26.114 29.460 44.753 1.00 0.00 N ATOM 693 CA TYR A 46 27.107 28.426 45.022 1.00 0.00 C ATOM 694 C TYR A 46 26.468 27.041 45.004 1.00 0.00 C ATOM 695 O TYR A 46 27.123 26.047 44.688 1.00 0.00 O ATOM 696 CB TYR A 46 27.778 28.673 46.374 1.00 0.00 C ATOM 697 CG TYR A 46 29.034 29.510 46.283 1.00 0.00 C ATOM 698 CD1 TYR A 46 30.116 29.092 45.519 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.138 30.718 46.961 1.00 0.00 C ATOM 700 CE1 TYR A 46 31.266 29.853 45.433 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.283 31.486 46.880 1.00 0.00 C ATOM 702 CZ TYR A 46 31.345 31.050 46.115 1.00 0.00 C ATOM 703 OH TYR A 46 32.488 31.811 46.032 1.00 0.00 O ATOM 0 H TYR A 46 26.073 30.198 45.456 1.00 0.00 H new ATOM 0 HA TYR A 46 27.862 28.469 44.237 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.069 29.168 47.037 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.023 27.713 46.829 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.057 28.156 44.983 1.00 0.00 H new ATOM 0 HD2 TYR A 46 28.309 31.062 47.562 1.00 0.00 H new ATOM 0 HE1 TYR A 46 32.099 29.513 44.835 1.00 0.00 H new ATOM 0 HE2 TYR A 46 30.347 32.423 47.413 1.00 0.00 H new ATOM 0 HH TYR A 46 32.250 32.735 45.808 1.00 0.00 H new ATOM 713 N SER A 47 25.185 26.983 45.345 1.00 0.00 N ATOM 714 CA SER A 47 24.457 25.720 45.371 1.00 0.00 C ATOM 715 C SER A 47 24.604 24.980 44.045 1.00 0.00 C ATOM 716 O SER A 47 24.760 23.760 44.017 1.00 0.00 O ATOM 717 CB SER A 47 22.977 25.966 45.670 1.00 0.00 C ATOM 718 OG SER A 47 22.411 26.867 44.734 1.00 0.00 O ATOM 0 H SER A 47 24.628 27.796 45.607 1.00 0.00 H new ATOM 0 HA SER A 47 24.882 25.101 46.161 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.435 25.021 45.643 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.868 26.367 46.678 1.00 0.00 H new ATOM 0 HG SER A 47 22.147 26.377 43.927 1.00 0.00 H new ATOM 724 N GLU A 48 24.551 25.729 42.948 1.00 0.00 N ATOM 725 CA GLU A 48 24.677 25.145 41.618 1.00 0.00 C ATOM 726 C GLU A 48 26.142 25.058 41.199 1.00 0.00 C ATOM 727 O GLU A 48 26.518 24.210 40.389 1.00 0.00 O ATOM 728 CB GLU A 48 23.892 25.971 40.597 1.00 0.00 C ATOM 729 CG GLU A 48 22.531 25.385 40.259 1.00 0.00 C ATOM 730 CD GLU A 48 21.762 24.947 41.490 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.588 25.777 42.407 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.335 23.774 41.537 1.00 0.00 O ATOM 0 H GLU A 48 24.422 26.741 42.954 1.00 0.00 H new ATOM 0 HA GLU A 48 24.265 24.136 41.652 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.758 26.981 40.985 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.479 26.056 39.683 1.00 0.00 H new ATOM 0 HG2 GLU A 48 21.946 26.126 39.714 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.662 24.531 39.594 1.00 0.00 H new ATOM 739 N PHE A 49 26.964 25.941 41.755 1.00 0.00 N ATOM 740 CA PHE A 49 28.388 25.966 41.439 1.00 0.00 C ATOM 741 C PHE A 49 29.008 24.583 41.615 1.00 0.00 C ATOM 742 O PHE A 49 28.947 23.995 42.695 1.00 0.00 O ATOM 743 CB PHE A 49 29.112 26.979 42.327 1.00 0.00 C ATOM 744 CG PHE A 49 30.607 26.932 42.195 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.219 27.234 40.989 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.401 26.584 43.276 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.595 27.192 40.864 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.777 26.541 43.157 1.00 0.00 C ATOM 749 CZ PHE A 49 33.375 26.844 41.949 1.00 0.00 C ATOM 0 H PHE A 49 26.669 26.649 42.427 1.00 0.00 H new ATOM 0 HA PHE A 49 28.498 26.264 40.396 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.765 27.982 42.078 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.841 26.797 43.367 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.614 27.505 40.137 1.00 0.00 H new ATOM 0 HD2 PHE A 49 30.939 26.344 44.222 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.060 27.431 39.919 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.385 26.271 44.008 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.450 26.809 41.853 1.00 0.00 H new ATOM 759 N LYS A 50 29.606 24.069 40.545 1.00 0.00 N ATOM 760 CA LYS A 50 30.239 22.755 40.579 1.00 0.00 C ATOM 761 C LYS A 50 31.758 22.883 40.547 1.00 0.00 C ATOM 762 O LYS A 50 32.383 22.713 39.501 1.00 0.00 O ATOM 763 CB LYS A 50 29.762 21.906 39.399 1.00 0.00 C ATOM 764 CG LYS A 50 28.257 21.931 39.200 1.00 0.00 C ATOM 765 CD LYS A 50 27.526 21.335 40.392 1.00 0.00 C ATOM 766 CE LYS A 50 27.763 19.837 40.498 1.00 0.00 C ATOM 767 NZ LYS A 50 26.526 19.058 40.214 1.00 0.00 N ATOM 0 H LYS A 50 29.666 24.542 39.643 1.00 0.00 H new ATOM 0 HA LYS A 50 29.953 22.265 41.510 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.246 22.260 38.489 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.083 20.875 39.551 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.927 22.958 39.046 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.999 21.375 38.299 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.861 21.823 41.307 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.458 21.530 40.300 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.546 19.543 39.799 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.122 19.596 41.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.729 18.041 40.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.786 19.320 40.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.197 19.268 39.250 1.00 0.00 H new ATOM 781 N GLY A 51 32.347 23.182 41.701 1.00 0.00 N ATOM 782 CA GLY A 51 33.789 23.326 41.782 1.00 0.00 C ATOM 783 C GLY A 51 34.316 23.101 43.185 1.00 0.00 C ATOM 784 O GLY A 51 33.738 22.336 43.957 1.00 0.00 O ATOM 0 H GLY A 51 31.852 23.327 42.581 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.261 22.617 41.102 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.071 24.324 41.447 1.00 0.00 H new ATOM 788 N ASP A 52 35.417 23.768 43.516 1.00 0.00 N ATOM 789 CA ASP A 52 36.022 23.637 44.836 1.00 0.00 C ATOM 790 C ASP A 52 35.718 24.859 45.697 1.00 0.00 C ATOM 791 O ASP A 52 36.442 25.854 45.659 1.00 0.00 O ATOM 792 CB ASP A 52 37.535 23.450 44.710 1.00 0.00 C ATOM 793 CG ASP A 52 37.904 22.365 43.717 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.599 21.185 43.988 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.498 22.697 42.670 1.00 0.00 O ATOM 0 H ASP A 52 35.908 24.404 42.888 1.00 0.00 H new ATOM 0 HA ASP A 52 35.594 22.759 45.320 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.990 24.391 44.401 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.950 23.201 45.687 1.00 0.00 H new ATOM 800 N LEU A 53 34.643 24.776 46.473 1.00 0.00 N ATOM 801 CA LEU A 53 34.241 25.876 47.343 1.00 0.00 C ATOM 802 C LEU A 53 35.251 26.076 48.469 1.00 0.00 C ATOM 803 O LEU A 53 35.248 27.106 49.142 1.00 0.00 O ATOM 804 CB LEU A 53 32.853 25.609 47.929 1.00 0.00 C ATOM 805 CG LEU A 53 31.771 26.632 47.584 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.559 25.944 46.977 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.372 27.424 48.821 1.00 0.00 C ATOM 0 H LEU A 53 34.034 23.959 46.518 1.00 0.00 H new ATOM 0 HA LEU A 53 34.206 26.786 46.744 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.520 24.629 47.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.943 25.557 49.014 1.00 0.00 H new ATOM 0 HG LEU A 53 32.176 27.325 46.847 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.800 26.689 46.738 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.855 25.422 46.067 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.152 25.227 47.690 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.601 28.148 48.557 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.986 26.743 49.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.243 27.949 49.213 1.00 0.00 H new ATOM 819 N GLU A 54 36.114 25.084 48.666 1.00 0.00 N ATOM 820 CA GLU A 54 37.130 25.152 49.710 1.00 0.00 C ATOM 821 C GLU A 54 38.283 26.057 49.287 1.00 0.00 C ATOM 822 O GLU A 54 38.844 26.790 50.103 1.00 0.00 O ATOM 823 CB GLU A 54 37.657 23.752 50.031 1.00 0.00 C ATOM 824 CG GLU A 54 38.221 23.022 48.824 1.00 0.00 C ATOM 825 CD GLU A 54 38.770 21.653 49.174 1.00 0.00 C ATOM 826 OE1 GLU A 54 39.601 21.565 50.102 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.368 20.668 48.520 1.00 0.00 O ATOM 0 H GLU A 54 36.130 24.225 48.117 1.00 0.00 H new ATOM 0 HA GLU A 54 36.669 25.573 50.604 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.433 23.831 50.792 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.849 23.158 50.459 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.440 22.914 48.072 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.013 23.624 48.378 1.00 0.00 H new ATOM 834 N THR A 55 38.633 26.002 48.006 1.00 0.00 N ATOM 835 CA THR A 55 39.720 26.814 47.475 1.00 0.00 C ATOM 836 C THR A 55 39.269 27.604 46.251 1.00 0.00 C ATOM 837 O THR A 55 39.401 27.140 45.117 1.00 0.00 O ATOM 838 CB THR A 55 40.935 25.947 47.093 1.00 0.00 C ATOM 839 OG1 THR A 55 40.574 25.025 46.059 1.00 0.00 O ATOM 840 CG2 THR A 55 41.455 25.183 48.301 1.00 0.00 C ATOM 0 H THR A 55 38.179 25.403 47.317 1.00 0.00 H new ATOM 0 HA THR A 55 40.011 27.507 48.265 1.00 0.00 H new ATOM 0 HB THR A 55 41.724 26.606 46.732 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.020 25.482 45.392 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.313 24.578 48.007 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.757 25.888 49.075 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.669 24.534 48.687 1.00 0.00 H new ATOM 848 N LEU A 56 38.738 28.798 46.487 1.00 0.00 N ATOM 849 CA LEU A 56 38.268 29.653 45.402 1.00 0.00 C ATOM 850 C LEU A 56 38.527 31.123 45.716 1.00 0.00 C ATOM 851 O LEU A 56 37.696 31.792 46.331 1.00 0.00 O ATOM 852 CB LEU A 56 36.774 29.428 45.160 1.00 0.00 C ATOM 853 CG LEU A 56 36.092 30.414 44.211 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.544 30.177 42.779 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.578 30.299 44.320 1.00 0.00 C ATOM 0 H LEU A 56 38.622 29.196 47.419 1.00 0.00 H new ATOM 0 HA LEU A 56 38.820 29.390 44.500 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.638 28.421 44.765 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.261 29.466 46.121 1.00 0.00 H new ATOM 0 HG LEU A 56 36.382 31.425 44.499 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.048 30.888 42.118 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.624 30.311 42.711 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.285 29.162 42.479 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.109 31.008 43.638 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.270 29.286 44.059 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.269 30.520 45.342 1.00 0.00 H new ATOM 867 N GLN A 57 39.684 31.619 45.289 1.00 0.00 N ATOM 868 CA GLN A 57 40.051 33.010 45.524 1.00 0.00 C ATOM 869 C GLN A 57 41.276 33.396 44.701 1.00 0.00 C ATOM 870 O GLN A 57 42.031 32.545 44.231 1.00 0.00 O ATOM 871 CB GLN A 57 40.327 33.243 47.010 1.00 0.00 C ATOM 872 CG GLN A 57 39.199 33.961 47.733 1.00 0.00 C ATOM 873 CD GLN A 57 39.655 34.616 49.022 1.00 0.00 C ATOM 874 OE1 GLN A 57 40.720 35.232 49.075 1.00 0.00 O ATOM 875 NE2 GLN A 57 38.849 34.488 50.069 1.00 0.00 N ATOM 0 H GLN A 57 40.383 31.078 44.779 1.00 0.00 H new ATOM 0 HA GLN A 57 39.215 33.637 45.214 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.504 32.282 47.493 1.00 0.00 H new ATOM 0 HB3 GLN A 57 41.243 33.825 47.114 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.775 34.719 47.075 1.00 0.00 H new ATOM 0 HG3 GLN A 57 38.403 33.250 47.953 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.976 33.969 49.980 1.00 0.00 H new ATOM 0 HE22 GLN A 57 39.103 34.909 50.963 1.00 0.00 H new ATOM 884 N PRO A 58 41.479 34.710 44.522 1.00 0.00 N ATOM 885 CA PRO A 58 40.587 35.732 45.076 1.00 0.00 C ATOM 886 C PRO A 58 39.226 35.748 44.388 1.00 0.00 C ATOM 887 O PRO A 58 38.266 36.320 44.903 1.00 0.00 O ATOM 888 CB PRO A 58 41.337 37.039 44.811 1.00 0.00 C ATOM 889 CG PRO A 58 42.207 36.746 43.638 1.00 0.00 C ATOM 890 CD PRO A 58 42.596 35.298 43.763 1.00 0.00 C ATOM 0 HA PRO A 58 40.370 35.556 46.130 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.647 37.855 44.598 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.928 37.339 45.677 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.677 36.928 42.703 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.088 37.388 43.635 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.711 34.827 42.787 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.544 35.180 44.287 1.00 0.00 H new ATOM 898 N GLY A 59 39.151 35.117 43.221 1.00 0.00 N ATOM 899 CA GLY A 59 37.903 35.071 42.481 1.00 0.00 C ATOM 900 C GLY A 59 37.926 34.044 41.367 1.00 0.00 C ATOM 901 O GLY A 59 36.984 33.266 41.210 1.00 0.00 O ATOM 0 H GLY A 59 39.932 34.637 42.774 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.087 34.841 43.166 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.698 36.055 42.059 1.00 0.00 H new ATOM 905 N ASP A 60 39.004 34.040 40.590 1.00 0.00 N ATOM 906 CA ASP A 60 39.146 33.101 39.484 1.00 0.00 C ATOM 907 C ASP A 60 38.033 33.296 38.459 1.00 0.00 C ATOM 908 O ASP A 60 37.076 34.032 38.700 1.00 0.00 O ATOM 909 CB ASP A 60 39.131 31.662 40.003 1.00 0.00 C ATOM 910 CG ASP A 60 40.476 30.979 39.852 1.00 0.00 C ATOM 911 OD1 ASP A 60 40.820 30.591 38.716 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.184 30.830 40.870 1.00 0.00 O ATOM 0 H ASP A 60 39.792 34.677 40.706 1.00 0.00 H new ATOM 0 HA ASP A 60 40.102 33.294 38.997 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.842 31.661 41.054 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.375 31.092 39.464 1.00 0.00 H new ATOM 917 N ASP A 61 38.166 32.633 37.315 1.00 0.00 N ATOM 918 CA ASP A 61 37.172 32.734 36.253 1.00 0.00 C ATOM 919 C ASP A 61 36.136 31.621 36.372 1.00 0.00 C ATOM 920 O ASP A 61 36.438 30.525 36.845 1.00 0.00 O ATOM 921 CB ASP A 61 37.850 32.673 34.883 1.00 0.00 C ATOM 922 CG ASP A 61 38.739 33.873 34.623 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.643 34.132 35.445 1.00 0.00 O ATOM 924 OD2 ASP A 61 38.531 34.553 33.597 1.00 0.00 O ATOM 0 H ASP A 61 38.952 32.020 37.100 1.00 0.00 H new ATOM 0 HA ASP A 61 36.663 33.692 36.355 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.445 31.762 34.816 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.088 32.614 34.106 1.00 0.00 H new ATOM 929 N VAL A 62 34.912 31.909 35.940 1.00 0.00 N ATOM 930 CA VAL A 62 33.831 30.933 35.997 1.00 0.00 C ATOM 931 C VAL A 62 32.990 30.969 34.726 1.00 0.00 C ATOM 932 O VAL A 62 32.852 32.014 34.092 1.00 0.00 O ATOM 933 CB VAL A 62 32.917 31.179 37.212 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.608 30.748 38.497 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.507 32.643 37.282 1.00 0.00 C ATOM 0 H VAL A 62 34.645 32.811 35.546 1.00 0.00 H new ATOM 0 HA VAL A 62 34.295 29.952 36.094 1.00 0.00 H new ATOM 0 HB VAL A 62 32.015 30.578 37.094 1.00 0.00 H new ATOM 0 HG11 VAL A 62 32.947 30.930 39.344 1.00 0.00 H new ATOM 0 HG12 VAL A 62 33.846 29.686 38.443 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.527 31.320 38.625 1.00 0.00 H new ATOM 0 HG21 VAL A 62 31.861 32.799 38.146 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.397 33.266 37.376 1.00 0.00 H new ATOM 0 HG23 VAL A 62 31.969 32.914 36.374 1.00 0.00 H new ATOM 945 N GLU A 63 32.429 29.820 34.361 1.00 0.00 N ATOM 946 CA GLU A 63 31.601 29.721 33.165 1.00 0.00 C ATOM 947 C GLU A 63 30.130 29.548 33.534 1.00 0.00 C ATOM 948 O GLU A 63 29.800 28.894 34.524 1.00 0.00 O ATOM 949 CB GLU A 63 32.061 28.550 32.295 1.00 0.00 C ATOM 950 CG GLU A 63 31.555 28.620 30.864 1.00 0.00 C ATOM 951 CD GLU A 63 30.566 27.517 30.540 1.00 0.00 C ATOM 952 OE1 GLU A 63 30.919 26.332 30.715 1.00 0.00 O ATOM 953 OE2 GLU A 63 29.438 27.840 30.113 1.00 0.00 O ATOM 0 H GLU A 63 32.533 28.946 34.876 1.00 0.00 H new ATOM 0 HA GLU A 63 31.710 30.648 32.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.151 28.521 32.285 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.722 27.618 32.746 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.082 29.588 30.697 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.401 28.557 30.180 1.00 0.00 H new ATOM 960 N PHE A 64 29.251 30.140 32.732 1.00 0.00 N ATOM 961 CA PHE A 64 27.816 30.053 32.975 1.00 0.00 C ATOM 962 C PHE A 64 27.036 30.168 31.668 1.00 0.00 C ATOM 963 O PHE A 64 27.566 30.619 30.652 1.00 0.00 O ATOM 964 CB PHE A 64 27.374 31.151 33.944 1.00 0.00 C ATOM 965 CG PHE A 64 27.755 32.533 33.499 1.00 0.00 C ATOM 966 CD1 PHE A 64 29.019 33.036 33.761 1.00 0.00 C ATOM 967 CD2 PHE A 64 26.848 33.331 32.819 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.373 34.308 33.352 1.00 0.00 C ATOM 969 CE2 PHE A 64 27.197 34.603 32.407 1.00 0.00 C ATOM 970 CZ PHE A 64 28.461 35.093 32.675 1.00 0.00 C ATOM 0 H PHE A 64 29.507 30.685 31.909 1.00 0.00 H new ATOM 0 HA PHE A 64 27.606 29.080 33.419 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.292 31.103 34.066 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.814 30.959 34.923 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.736 32.427 34.291 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.858 32.954 32.609 1.00 0.00 H new ATOM 0 HE1 PHE A 64 30.362 34.687 33.562 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.482 35.214 31.876 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.735 36.088 32.356 1.00 0.00 H new ATOM 980 N THR A 65 25.772 29.757 31.702 1.00 0.00 N ATOM 981 CA THR A 65 24.919 29.811 30.522 1.00 0.00 C ATOM 982 C THR A 65 23.556 30.406 30.857 1.00 0.00 C ATOM 983 O THR A 65 22.666 29.707 31.344 1.00 0.00 O ATOM 984 CB THR A 65 24.720 28.413 29.907 1.00 0.00 C ATOM 985 OG1 THR A 65 25.990 27.787 29.693 1.00 0.00 O ATOM 986 CG2 THR A 65 23.965 28.504 28.590 1.00 0.00 C ATOM 0 H THR A 65 25.317 29.383 32.535 1.00 0.00 H new ATOM 0 HA THR A 65 25.423 30.449 29.796 1.00 0.00 H new ATOM 0 HB THR A 65 24.133 27.814 30.603 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.855 26.898 29.303 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.836 27.505 28.174 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.987 28.954 28.761 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.529 29.119 27.889 1.00 0.00 H new ATOM 994 N ILE A 66 23.397 31.698 30.591 1.00 0.00 N ATOM 995 CA ILE A 66 22.141 32.385 30.863 1.00 0.00 C ATOM 996 C ILE A 66 20.978 31.708 30.145 1.00 0.00 C ATOM 997 O ILE A 66 21.073 31.372 28.964 1.00 0.00 O ATOM 998 CB ILE A 66 22.203 33.863 30.435 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.408 34.552 31.080 1.00 0.00 C ATOM 1000 CG2 ILE A 66 20.914 34.578 30.810 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.543 34.812 30.115 1.00 0.00 C ATOM 0 H ILE A 66 24.123 32.290 30.187 1.00 0.00 H new ATOM 0 HA ILE A 66 21.980 32.334 31.940 1.00 0.00 H new ATOM 0 HB ILE A 66 22.318 33.908 29.352 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.086 35.499 31.513 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.774 33.934 31.900 1.00 0.00 H new ATOM 0 HG21 ILE A 66 20.974 35.622 30.501 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.073 34.099 30.309 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.770 34.527 31.889 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.362 35.302 30.641 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.892 33.866 29.700 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.194 35.455 29.307 1.00 0.00 H new ATOM 1013 N LYS A 67 19.879 31.512 30.865 1.00 0.00 N ATOM 1014 CA LYS A 67 18.695 30.878 30.298 1.00 0.00 C ATOM 1015 C LYS A 67 17.477 31.789 30.423 1.00 0.00 C ATOM 1016 O LYS A 67 17.557 32.872 31.004 1.00 0.00 O ATOM 1017 CB LYS A 67 18.421 29.544 30.995 1.00 0.00 C ATOM 1018 CG LYS A 67 19.582 28.568 30.919 1.00 0.00 C ATOM 1019 CD LYS A 67 19.980 28.287 29.480 1.00 0.00 C ATOM 1020 CE LYS A 67 20.637 26.922 29.340 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.635 26.448 27.928 1.00 0.00 N ATOM 0 H LYS A 67 19.784 31.783 31.844 1.00 0.00 H new ATOM 0 HA LYS A 67 18.883 30.695 29.240 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.184 29.733 32.042 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.540 29.084 30.547 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.436 28.974 31.461 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.307 27.635 31.410 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.098 28.335 28.841 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.666 29.060 29.134 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.663 26.974 29.704 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.112 26.200 29.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.091 25.515 27.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.655 26.374 27.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 21.157 27.123 27.334 1.00 0.00 H new ATOM 1129 N VAL A 74 19.692 34.876 36.268 1.00 0.00 N ATOM 1130 CA VAL A 74 20.593 34.123 37.132 1.00 0.00 C ATOM 1131 C VAL A 74 21.294 33.011 36.360 1.00 0.00 C ATOM 1132 O VAL A 74 20.698 32.373 35.492 1.00 0.00 O ATOM 1133 CB VAL A 74 19.840 33.508 38.327 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.187 34.596 39.164 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.806 32.502 37.844 1.00 0.00 C ATOM 0 HA VAL A 74 21.337 34.827 37.504 1.00 0.00 H new ATOM 0 HB VAL A 74 20.559 32.982 38.956 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.660 34.142 40.003 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.953 35.274 39.540 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.479 35.153 38.549 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.283 32.077 38.701 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.089 33.002 37.193 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.304 31.705 37.291 1.00 0.00 H new ATOM 1145 N ALA A 75 22.563 32.784 36.682 1.00 0.00 N ATOM 1146 CA ALA A 75 23.345 31.747 36.020 1.00 0.00 C ATOM 1147 C ALA A 75 23.240 30.420 36.765 1.00 0.00 C ATOM 1148 O ALA A 75 23.437 30.361 37.980 1.00 0.00 O ATOM 1149 CB ALA A 75 24.800 32.176 35.905 1.00 0.00 C ATOM 0 H ALA A 75 23.071 33.304 37.397 1.00 0.00 H new ATOM 0 HA ALA A 75 22.939 31.604 35.018 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.372 31.392 35.409 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.863 33.095 35.323 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.208 32.348 36.901 1.00 0.00 H new ATOM 1155 N THR A 76 22.928 29.357 36.031 1.00 0.00 N ATOM 1156 CA THR A 76 22.795 28.032 36.622 1.00 0.00 C ATOM 1157 C THR A 76 23.909 27.105 36.150 1.00 0.00 C ATOM 1158 O THR A 76 24.489 27.309 35.083 1.00 0.00 O ATOM 1159 CB THR A 76 21.434 27.397 36.279 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.955 27.911 35.031 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.415 27.677 37.373 1.00 0.00 C ATOM 0 H THR A 76 22.763 29.388 35.025 1.00 0.00 H new ATOM 0 HA THR A 76 22.866 28.160 37.702 1.00 0.00 H new ATOM 0 HB THR A 76 21.571 26.319 36.199 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.090 27.501 34.819 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.462 27.219 37.108 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.769 27.260 38.316 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.283 28.754 37.480 1.00 0.00 H new ATOM 1169 N ASP A 77 24.203 26.086 36.950 1.00 0.00 N ATOM 1170 CA ASP A 77 25.247 25.125 36.613 1.00 0.00 C ATOM 1171 C ASP A 77 26.556 25.838 36.287 1.00 0.00 C ATOM 1172 O ASP A 77 27.085 25.714 35.183 1.00 0.00 O ATOM 1173 CB ASP A 77 24.813 24.263 35.426 1.00 0.00 C ATOM 1174 CG ASP A 77 23.923 23.109 35.844 1.00 0.00 C ATOM 1175 OD1 ASP A 77 23.864 22.814 37.057 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.285 22.502 34.960 1.00 0.00 O ATOM 0 H ASP A 77 23.733 25.904 37.837 1.00 0.00 H new ATOM 0 HA ASP A 77 25.409 24.483 37.479 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.283 24.884 34.704 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.697 23.872 34.922 1.00 0.00 H new ATOM 1181 N VAL A 78 27.074 26.586 37.257 1.00 0.00 N ATOM 1182 CA VAL A 78 28.321 27.318 37.074 1.00 0.00 C ATOM 1183 C VAL A 78 29.528 26.412 37.291 1.00 0.00 C ATOM 1184 O VAL A 78 29.573 25.641 38.250 1.00 0.00 O ATOM 1185 CB VAL A 78 28.414 28.518 38.036 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.746 29.234 37.870 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.253 29.474 37.808 1.00 0.00 C ATOM 0 H VAL A 78 26.649 26.700 38.177 1.00 0.00 H new ATOM 0 HA VAL A 78 28.325 27.684 36.047 1.00 0.00 H new ATOM 0 HB VAL A 78 28.354 28.147 39.059 1.00 0.00 H new ATOM 0 HG11 VAL A 78 29.793 30.079 38.558 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.560 28.543 38.088 1.00 0.00 H new ATOM 0 HG13 VAL A 78 29.840 29.594 36.846 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.334 30.316 38.496 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.279 29.840 36.782 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.312 28.952 37.983 1.00 0.00 H new ATOM 1197 N ARG A 79 30.504 26.511 36.395 1.00 0.00 N ATOM 1198 CA ARG A 79 31.712 25.699 36.488 1.00 0.00 C ATOM 1199 C ARG A 79 32.961 26.568 36.374 1.00 0.00 C ATOM 1200 O ARG A 79 33.088 27.373 35.450 1.00 0.00 O ATOM 1201 CB ARG A 79 31.719 24.631 35.393 1.00 0.00 C ATOM 1202 CG ARG A 79 30.555 23.658 35.483 1.00 0.00 C ATOM 1203 CD ARG A 79 29.821 23.543 34.156 1.00 0.00 C ATOM 1204 NE ARG A 79 28.552 22.834 34.292 1.00 0.00 N ATOM 1205 CZ ARG A 79 28.460 21.527 34.515 1.00 0.00 C ATOM 1206 NH1 ARG A 79 29.557 20.792 34.626 1.00 0.00 N ATOM 1207 NH2 ARG A 79 27.269 20.954 34.627 1.00 0.00 N ATOM 0 H ARG A 79 30.482 27.145 35.596 1.00 0.00 H new ATOM 0 HA ARG A 79 31.718 25.211 37.463 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.697 25.121 34.420 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.653 24.072 35.448 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.922 22.677 35.783 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.862 23.989 36.256 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.638 24.540 33.755 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.452 23.021 33.437 1.00 0.00 H new ATOM 0 HE ARG A 79 27.689 23.371 34.211 1.00 0.00 H new ATOM 0 HH11 ARG A 79 30.475 21.229 34.540 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.484 19.789 34.797 1.00 0.00 H new ATOM 0 HH21 ARG A 79 26.422 21.517 34.542 1.00 0.00 H new ATOM 0 HH22 ARG A 79 27.200 19.951 34.798 1.00 0.00 H new ATOM 1221 N LEU A 80 33.880 26.401 37.318 1.00 0.00 N ATOM 1222 CA LEU A 80 35.119 27.170 37.325 1.00 0.00 C ATOM 1223 C LEU A 80 35.849 27.038 35.992 1.00 0.00 C ATOM 1224 O LEU A 80 35.706 26.036 35.290 1.00 0.00 O ATOM 1225 CB LEU A 80 36.027 26.702 38.464 1.00 0.00 C ATOM 1226 CG LEU A 80 36.070 27.602 39.700 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.838 26.926 40.825 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.694 28.947 39.358 1.00 0.00 C ATOM 0 H LEU A 80 33.790 25.739 38.089 1.00 0.00 H new ATOM 0 HA LEU A 80 34.865 28.219 37.478 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.705 25.708 38.774 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.041 26.602 38.076 1.00 0.00 H new ATOM 0 HG LEU A 80 35.048 27.774 40.038 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.858 27.581 41.696 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.349 25.988 41.087 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.858 26.724 40.499 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.717 29.575 40.249 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.711 28.795 38.995 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.102 29.436 38.584 1.00 0.00 H new ATOM 1240 N LEU A 81 36.632 28.055 35.649 1.00 0.00 N ATOM 1241 CA LEU A 81 37.387 28.052 34.401 1.00 0.00 C ATOM 1242 C LEU A 81 38.858 27.735 34.654 1.00 0.00 C ATOM 1243 O LEU A 81 39.369 27.889 35.763 1.00 0.00 O ATOM 1244 CB LEU A 81 37.259 29.407 33.702 1.00 0.00 C ATOM 1245 CG LEU A 81 36.003 29.607 32.853 1.00 0.00 C ATOM 1246 CD1 LEU A 81 35.919 31.042 32.356 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.989 28.634 31.683 1.00 0.00 C ATOM 0 H LEU A 81 36.761 28.892 36.218 1.00 0.00 H new ATOM 0 HA LEU A 81 36.973 27.276 33.757 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.289 30.189 34.461 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.131 29.548 33.064 1.00 0.00 H new ATOM 0 HG LEU A 81 35.131 29.407 33.476 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.019 31.166 31.754 1.00 0.00 H new ATOM 0 HD12 LEU A 81 35.882 31.721 33.208 1.00 0.00 H new ATOM 0 HD13 LEU A 81 36.796 31.269 31.750 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.088 28.791 31.090 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.867 28.802 31.060 1.00 0.00 H new ATOM 0 HD23 LEU A 81 36.002 27.611 32.060 1.00 0.00 H new ATOM 1259 N PRO A 82 39.555 27.283 33.602 1.00 0.00 N ATOM 1260 CA PRO A 82 40.978 26.937 33.684 1.00 0.00 C ATOM 1261 C PRO A 82 41.863 28.165 33.868 1.00 0.00 C ATOM 1262 O PRO A 82 41.386 29.298 33.814 1.00 0.00 O ATOM 1263 CB PRO A 82 41.260 26.272 32.335 1.00 0.00 C ATOM 1264 CG PRO A 82 40.236 26.837 31.412 1.00 0.00 C ATOM 1265 CD PRO A 82 39.010 27.075 32.250 1.00 0.00 C ATOM 0 HA PRO A 82 41.194 26.300 34.542 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.270 26.492 31.989 1.00 0.00 H new ATOM 0 HB3 PRO A 82 41.176 25.187 32.403 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.587 27.765 30.961 1.00 0.00 H new ATOM 0 HG3 PRO A 82 40.023 26.147 30.596 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.450 27.944 31.905 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.330 26.224 32.218 1.00 0.00 H new