USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 MET CE :methyl -157:sc= -1.67 (180deg=-0.794) USER MOD Set 1.2: A 46 TYR OH : rot 70:sc= -1.32 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.47) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 47 SER OG : rot 180:sc= -0.601 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 42:sc= 1.12 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.484 32.292 28.313 1.00 0.00 N ATOM 272 CA CYS A 19 29.170 33.482 28.803 1.00 0.00 C ATOM 273 C CYS A 19 30.049 33.147 30.004 1.00 0.00 C ATOM 274 O CYS A 19 29.708 32.284 30.812 1.00 0.00 O ATOM 275 CB CYS A 19 28.156 34.561 29.184 1.00 0.00 C ATOM 276 SG CYS A 19 28.090 35.951 28.030 1.00 0.00 S ATOM 0 HA CYS A 19 29.807 33.859 28.003 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.166 34.108 29.248 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.399 34.938 30.177 1.00 0.00 H new ATOM 0 HG CYS A 19 27.202 36.810 28.436 1.00 0.00 H new ATOM 282 N GLN A 20 31.182 33.834 30.112 1.00 0.00 N ATOM 283 CA GLN A 20 32.111 33.606 31.213 1.00 0.00 C ATOM 284 C GLN A 20 32.756 34.914 31.659 1.00 0.00 C ATOM 285 O GLN A 20 32.658 35.932 30.975 1.00 0.00 O ATOM 286 CB GLN A 20 33.191 32.606 30.798 1.00 0.00 C ATOM 287 CG GLN A 20 34.229 33.188 29.852 1.00 0.00 C ATOM 288 CD GLN A 20 34.632 32.217 28.760 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.788 31.542 28.170 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.929 32.142 28.485 1.00 0.00 N ATOM 0 H GLN A 20 31.479 34.552 29.451 1.00 0.00 H new ATOM 0 HA GLN A 20 31.549 33.195 32.051 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.693 32.235 31.691 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.716 31.749 30.320 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.832 34.096 29.398 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.113 33.476 30.421 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.594 32.720 28.999 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.261 31.506 27.760 1.00 0.00 H new ATOM 299 N GLY A 21 33.417 34.879 32.812 1.00 0.00 N ATOM 300 CA GLY A 21 34.069 36.068 33.330 1.00 0.00 C ATOM 301 C GLY A 21 34.935 35.774 34.539 1.00 0.00 C ATOM 302 O GLY A 21 35.588 34.732 34.606 1.00 0.00 O ATOM 0 H GLY A 21 33.513 34.049 33.397 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.683 36.513 32.547 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.313 36.805 33.599 1.00 0.00 H new ATOM 306 N VAL A 22 34.944 36.695 35.497 1.00 0.00 N ATOM 307 CA VAL A 22 35.737 36.530 36.709 1.00 0.00 C ATOM 308 C VAL A 22 34.911 36.840 37.953 1.00 0.00 C ATOM 309 O VAL A 22 34.259 37.881 38.035 1.00 0.00 O ATOM 310 CB VAL A 22 36.981 37.438 36.694 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.892 37.115 37.868 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.727 37.296 35.375 1.00 0.00 C ATOM 0 H VAL A 22 34.411 37.564 35.457 1.00 0.00 H new ATOM 0 HA VAL A 22 36.057 35.488 36.738 1.00 0.00 H new ATOM 0 HB VAL A 22 36.655 38.474 36.792 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.765 37.766 37.841 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.352 37.271 38.802 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.213 36.075 37.804 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.603 37.944 35.381 1.00 0.00 H new ATOM 0 HG22 VAL A 22 38.042 36.261 35.245 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.070 37.581 34.553 1.00 0.00 H new ATOM 322 N VAL A 23 34.943 35.929 38.920 1.00 0.00 N ATOM 323 CA VAL A 23 34.198 36.105 40.161 1.00 0.00 C ATOM 324 C VAL A 23 34.501 37.457 40.796 1.00 0.00 C ATOM 325 O VAL A 23 35.563 37.653 41.389 1.00 0.00 O ATOM 326 CB VAL A 23 34.524 34.991 41.174 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.762 35.209 42.472 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.206 33.625 40.583 1.00 0.00 C ATOM 0 H VAL A 23 35.477 35.061 38.868 1.00 0.00 H new ATOM 0 HA VAL A 23 33.140 36.055 39.905 1.00 0.00 H new ATOM 0 HB VAL A 23 35.590 35.027 41.397 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.005 34.412 43.175 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.043 36.170 42.902 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.691 35.201 42.271 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.442 32.849 41.312 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.147 33.575 40.331 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.801 33.471 39.683 1.00 0.00 H new ATOM 338 N CYS A 24 33.561 38.387 40.669 1.00 0.00 N ATOM 339 CA CYS A 24 33.726 39.723 41.231 1.00 0.00 C ATOM 340 C CYS A 24 33.296 39.755 42.694 1.00 0.00 C ATOM 341 O CYS A 24 34.001 40.294 43.547 1.00 0.00 O ATOM 342 CB CYS A 24 32.917 40.741 40.426 1.00 0.00 C ATOM 343 SG CYS A 24 33.255 42.463 40.861 1.00 0.00 S ATOM 0 H CYS A 24 32.677 38.241 40.182 1.00 0.00 H new ATOM 0 HA CYS A 24 34.783 39.985 41.177 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.125 40.598 39.366 1.00 0.00 H new ATOM 0 HB3 CYS A 24 31.855 40.542 40.572 1.00 0.00 H new ATOM 0 HG CYS A 24 32.525 43.248 40.125 1.00 0.00 H new ATOM 349 N ALA A 25 32.133 39.177 42.976 1.00 0.00 N ATOM 350 CA ALA A 25 31.609 39.139 44.336 1.00 0.00 C ATOM 351 C ALA A 25 32.053 37.872 45.060 1.00 0.00 C ATOM 352 O ALA A 25 32.143 36.802 44.459 1.00 0.00 O ATOM 353 CB ALA A 25 30.091 39.235 44.319 1.00 0.00 C ATOM 0 H ALA A 25 31.536 38.729 42.281 1.00 0.00 H new ATOM 0 HA ALA A 25 32.010 39.995 44.878 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.713 39.205 45.341 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.791 40.171 43.848 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.680 38.397 43.756 1.00 0.00 H new ATOM 359 N MET A 26 32.330 38.002 46.353 1.00 0.00 N ATOM 360 CA MET A 26 32.765 36.867 47.159 1.00 0.00 C ATOM 361 C MET A 26 32.030 36.836 48.495 1.00 0.00 C ATOM 362 O MET A 26 32.293 37.652 49.379 1.00 0.00 O ATOM 363 CB MET A 26 34.275 36.930 47.395 1.00 0.00 C ATOM 364 CG MET A 26 35.069 35.987 46.505 1.00 0.00 C ATOM 365 SD MET A 26 35.766 34.596 47.415 1.00 0.00 S ATOM 366 CE MET A 26 35.135 33.217 46.461 1.00 0.00 C ATOM 0 H MET A 26 32.261 38.881 46.865 1.00 0.00 H new ATOM 0 HA MET A 26 32.528 35.954 46.613 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.619 37.951 47.227 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.482 36.692 48.438 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.422 35.610 45.713 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.874 36.541 46.023 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.116 32.322 47.083 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.125 33.443 46.120 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.779 33.046 45.599 1.00 0.00 H new ATOM 376 N LYS A 27 31.108 35.890 48.637 1.00 0.00 N ATOM 377 CA LYS A 27 30.335 35.752 49.866 1.00 0.00 C ATOM 378 C LYS A 27 30.314 34.301 50.335 1.00 0.00 C ATOM 379 O LYS A 27 30.819 33.411 49.651 1.00 0.00 O ATOM 380 CB LYS A 27 28.904 36.251 49.652 1.00 0.00 C ATOM 381 CG LYS A 27 28.467 37.296 50.664 1.00 0.00 C ATOM 382 CD LYS A 27 27.322 38.141 50.132 1.00 0.00 C ATOM 383 CE LYS A 27 27.684 39.618 50.106 1.00 0.00 C ATOM 384 NZ LYS A 27 28.107 40.061 48.748 1.00 0.00 N ATOM 0 H LYS A 27 30.878 35.207 47.916 1.00 0.00 H new ATOM 0 HA LYS A 27 30.813 36.358 50.636 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.821 36.671 48.650 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.221 35.403 49.700 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.159 36.804 51.587 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.311 37.940 50.912 1.00 0.00 H new ATOM 0 HD2 LYS A 27 27.062 37.811 49.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.439 37.993 50.754 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.827 40.208 50.430 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.488 39.808 50.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.345 41.073 48.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.941 39.516 48.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.331 39.904 48.074 1.00 0.00 H new ATOM 398 N GLU A 28 29.726 34.070 51.504 1.00 0.00 N ATOM 399 CA GLU A 28 29.639 32.726 52.063 1.00 0.00 C ATOM 400 C GLU A 28 28.275 32.104 51.777 1.00 0.00 C ATOM 401 O GLU A 28 27.703 31.420 52.624 1.00 0.00 O ATOM 402 CB GLU A 28 29.890 32.759 53.572 1.00 0.00 C ATOM 403 CG GLU A 28 30.649 31.550 54.090 1.00 0.00 C ATOM 404 CD GLU A 28 32.138 31.807 54.220 1.00 0.00 C ATOM 405 OE1 GLU A 28 32.835 31.798 53.184 1.00 0.00 O ATOM 406 OE2 GLU A 28 32.606 32.019 55.359 1.00 0.00 O ATOM 0 H GLU A 28 29.303 34.796 52.082 1.00 0.00 H new ATOM 0 HA GLU A 28 30.405 32.113 51.588 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.449 33.661 53.819 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.933 32.825 54.089 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.248 31.263 55.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.487 30.708 53.417 1.00 0.00 H new ATOM 413 N ALA A 29 27.760 32.349 50.576 1.00 0.00 N ATOM 414 CA ALA A 29 26.465 31.813 50.177 1.00 0.00 C ATOM 415 C ALA A 29 26.251 31.958 48.674 1.00 0.00 C ATOM 416 O ALA A 29 25.804 31.024 48.008 1.00 0.00 O ATOM 417 CB ALA A 29 25.348 32.509 50.940 1.00 0.00 C ATOM 0 H ALA A 29 28.220 32.915 49.863 1.00 0.00 H new ATOM 0 HA ALA A 29 26.449 30.750 50.420 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.386 32.099 50.632 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.484 32.350 52.010 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.372 33.577 50.726 1.00 0.00 H new ATOM 423 N PHE A 30 26.572 33.134 48.146 1.00 0.00 N ATOM 424 CA PHE A 30 26.413 33.402 46.721 1.00 0.00 C ATOM 425 C PHE A 30 27.368 34.501 46.264 1.00 0.00 C ATOM 426 O PHE A 30 28.013 35.158 47.081 1.00 0.00 O ATOM 427 CB PHE A 30 24.969 33.805 46.414 1.00 0.00 C ATOM 428 CG PHE A 30 24.439 34.874 47.325 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.953 36.160 47.279 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.426 34.594 48.228 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.467 37.146 48.117 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.935 35.576 49.068 1.00 0.00 C ATOM 433 CZ PHE A 30 23.456 36.854 49.012 1.00 0.00 C ATOM 0 H PHE A 30 26.944 33.917 48.683 1.00 0.00 H new ATOM 0 HA PHE A 30 26.651 32.488 46.176 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.909 34.155 45.383 1.00 0.00 H new ATOM 0 HB3 PHE A 30 24.331 32.925 46.490 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.742 36.395 46.580 1.00 0.00 H new ATOM 0 HD2 PHE A 30 23.015 33.596 48.276 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.877 38.144 48.072 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.145 35.344 49.767 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.074 37.623 49.667 1.00 0.00 H new ATOM 443 N GLY A 31 27.453 34.695 44.951 1.00 0.00 N ATOM 444 CA GLY A 31 28.331 35.714 44.407 1.00 0.00 C ATOM 445 C GLY A 31 27.932 36.136 43.007 1.00 0.00 C ATOM 446 O GLY A 31 26.879 35.739 42.508 1.00 0.00 O ATOM 0 H GLY A 31 26.929 34.164 44.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.321 36.585 45.062 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.354 35.338 44.392 1.00 0.00 H new ATOM 450 N PHE A 32 28.774 36.946 42.373 1.00 0.00 N ATOM 451 CA PHE A 32 28.502 37.425 41.023 1.00 0.00 C ATOM 452 C PHE A 32 29.713 37.220 40.118 1.00 0.00 C ATOM 453 O PHE A 32 30.769 36.774 40.569 1.00 0.00 O ATOM 454 CB PHE A 32 28.117 38.906 41.052 1.00 0.00 C ATOM 455 CG PHE A 32 26.814 39.173 41.748 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.720 39.089 43.128 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.682 39.508 41.023 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.522 39.335 43.772 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.481 39.756 41.661 1.00 0.00 C ATOM 460 CZ PHE A 32 24.401 39.668 43.037 1.00 0.00 C ATOM 0 H PHE A 32 29.650 37.284 42.772 1.00 0.00 H new ATOM 0 HA PHE A 32 27.669 36.848 40.621 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.907 39.469 41.549 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.056 39.277 40.029 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.593 38.828 43.707 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.738 39.576 39.947 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.463 39.267 44.848 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.606 40.018 41.084 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.463 39.859 43.538 1.00 0.00 H new ATOM 470 N ILE A 33 29.553 37.549 38.841 1.00 0.00 N ATOM 471 CA ILE A 33 30.633 37.402 37.873 1.00 0.00 C ATOM 472 C ILE A 33 30.783 38.658 37.021 1.00 0.00 C ATOM 473 O ILE A 33 29.795 39.302 36.670 1.00 0.00 O ATOM 474 CB ILE A 33 30.400 36.192 36.949 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.262 34.911 37.774 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.538 36.064 35.947 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.652 33.760 37.005 1.00 0.00 C ATOM 0 H ILE A 33 28.686 37.919 38.452 1.00 0.00 H new ATOM 0 HA ILE A 33 31.548 37.242 38.443 1.00 0.00 H new ATOM 0 HB ILE A 33 29.473 36.348 36.398 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.246 34.614 38.137 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.648 35.117 38.651 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.359 35.204 35.301 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.593 36.968 35.341 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.479 35.927 36.480 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.585 32.885 37.652 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.654 34.038 36.665 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.277 33.527 36.143 1.00 0.00 H new ATOM 489 N GLU A 34 32.024 38.998 36.690 1.00 0.00 N ATOM 490 CA GLU A 34 32.302 40.176 35.878 1.00 0.00 C ATOM 491 C GLU A 34 32.015 39.901 34.404 1.00 0.00 C ATOM 492 O GLU A 34 32.218 38.788 33.919 1.00 0.00 O ATOM 493 CB GLU A 34 33.759 40.611 36.052 1.00 0.00 C ATOM 494 CG GLU A 34 33.926 42.106 36.271 1.00 0.00 C ATOM 495 CD GLU A 34 35.295 42.607 35.854 1.00 0.00 C ATOM 496 OE1 GLU A 34 36.291 41.902 36.117 1.00 0.00 O ATOM 497 OE2 GLU A 34 35.369 43.705 35.264 1.00 0.00 O ATOM 0 H GLU A 34 32.853 38.474 36.972 1.00 0.00 H new ATOM 0 HA GLU A 34 31.647 40.980 36.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.190 40.078 36.899 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.325 40.316 35.169 1.00 0.00 H new ATOM 0 HG2 GLU A 34 33.161 42.640 35.707 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.764 42.335 37.324 1.00 0.00 H new ATOM 601 N GLU A 41 25.758 41.501 33.188 1.00 0.00 N ATOM 602 CA GLU A 41 26.183 40.679 34.315 1.00 0.00 C ATOM 603 C GLU A 41 25.080 39.707 34.725 1.00 0.00 C ATOM 604 O GLU A 41 23.930 39.845 34.308 1.00 0.00 O ATOM 605 CB GLU A 41 26.568 41.562 35.503 1.00 0.00 C ATOM 606 CG GLU A 41 25.398 42.327 36.097 1.00 0.00 C ATOM 607 CD GLU A 41 24.963 43.494 35.231 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.527 44.596 35.393 1.00 0.00 O ATOM 609 OE2 GLU A 41 24.059 43.303 34.390 1.00 0.00 O ATOM 0 HA GLU A 41 27.054 40.103 34.004 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.015 40.939 36.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.331 42.272 35.185 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.557 41.648 36.234 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.674 42.696 37.085 1.00 0.00 H new ATOM 616 N ILE A 42 25.440 38.725 35.545 1.00 0.00 N ATOM 617 CA ILE A 42 24.482 37.731 36.012 1.00 0.00 C ATOM 618 C ILE A 42 24.765 37.331 37.456 1.00 0.00 C ATOM 619 O ILE A 42 25.828 37.634 37.999 1.00 0.00 O ATOM 620 CB ILE A 42 24.503 36.470 35.129 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.679 35.570 35.514 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.583 36.854 33.659 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.023 36.257 35.416 1.00 0.00 C ATOM 0 H ILE A 42 26.388 38.597 35.899 1.00 0.00 H new ATOM 0 HA ILE A 42 23.496 38.191 35.951 1.00 0.00 H new ATOM 0 HB ILE A 42 23.578 35.916 35.291 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.535 35.215 36.534 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.681 34.692 34.868 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.597 35.952 33.048 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.716 37.459 33.393 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.493 37.427 33.482 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.810 35.560 35.703 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.188 36.588 34.391 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.041 37.119 36.083 1.00 0.00 H new ATOM 635 N PHE A 43 23.808 36.646 38.073 1.00 0.00 N ATOM 636 CA PHE A 43 23.954 36.203 39.455 1.00 0.00 C ATOM 637 C PHE A 43 23.852 34.684 39.552 1.00 0.00 C ATOM 638 O PHE A 43 22.924 34.077 39.017 1.00 0.00 O ATOM 639 CB PHE A 43 22.887 36.855 40.337 1.00 0.00 C ATOM 640 CG PHE A 43 22.853 36.311 41.737 1.00 0.00 C ATOM 641 CD1 PHE A 43 23.911 36.529 42.605 1.00 0.00 C ATOM 642 CD2 PHE A 43 21.763 35.582 42.185 1.00 0.00 C ATOM 643 CE1 PHE A 43 23.883 36.030 43.894 1.00 0.00 C ATOM 644 CE2 PHE A 43 21.729 35.081 43.473 1.00 0.00 C ATOM 645 CZ PHE A 43 22.791 35.304 44.328 1.00 0.00 C ATOM 0 H PHE A 43 22.923 36.385 37.638 1.00 0.00 H new ATOM 0 HA PHE A 43 24.940 36.506 39.806 1.00 0.00 H new ATOM 0 HB2 PHE A 43 23.067 37.929 40.377 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.909 36.713 39.876 1.00 0.00 H new ATOM 0 HD1 PHE A 43 24.768 37.095 42.271 1.00 0.00 H new ATOM 0 HD2 PHE A 43 20.931 35.403 41.520 1.00 0.00 H new ATOM 0 HE1 PHE A 43 24.714 36.208 44.561 1.00 0.00 H new ATOM 0 HE2 PHE A 43 20.873 34.516 43.811 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.767 34.911 45.334 1.00 0.00 H new ATOM 655 N PHE A 44 24.814 34.075 40.239 1.00 0.00 N ATOM 656 CA PHE A 44 24.834 32.627 40.406 1.00 0.00 C ATOM 657 C PHE A 44 24.919 32.251 41.882 1.00 0.00 C ATOM 658 O PHE A 44 25.460 33.001 42.696 1.00 0.00 O ATOM 659 CB PHE A 44 26.015 32.021 39.645 1.00 0.00 C ATOM 660 CG PHE A 44 27.344 32.285 40.293 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.875 33.565 40.319 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.063 31.253 40.875 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.098 33.811 40.915 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.286 31.494 41.472 1.00 0.00 C ATOM 665 CZ PHE A 44 29.805 32.774 41.491 1.00 0.00 C ATOM 0 H PHE A 44 25.589 34.562 40.689 1.00 0.00 H new ATOM 0 HA PHE A 44 23.905 32.227 40.000 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.868 30.944 39.560 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.028 32.422 38.631 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.327 34.379 39.869 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.663 30.250 40.862 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.500 34.813 40.930 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.836 30.682 41.924 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.762 32.963 41.955 1.00 0.00 H new ATOM 675 N HIS A 45 24.380 31.084 42.222 1.00 0.00 N ATOM 676 CA HIS A 45 24.395 30.607 43.600 1.00 0.00 C ATOM 677 C HIS A 45 25.373 29.448 43.764 1.00 0.00 C ATOM 678 O HIS A 45 25.434 28.551 42.922 1.00 0.00 O ATOM 679 CB HIS A 45 22.993 30.171 44.026 1.00 0.00 C ATOM 680 CG HIS A 45 22.581 30.701 45.365 1.00 0.00 C ATOM 681 ND1 HIS A 45 23.119 30.248 46.551 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.679 31.652 45.701 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.564 30.897 47.559 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.687 31.755 47.070 1.00 0.00 N ATOM 0 H HIS A 45 23.928 30.452 41.562 1.00 0.00 H new ATOM 0 HA HIS A 45 24.722 31.428 44.239 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.275 30.503 43.276 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.951 29.082 44.047 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.067 32.224 45.019 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.789 30.751 48.605 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.109 32.391 47.620 1.00 0.00 H new ATOM 692 N TYR A 46 26.136 29.473 44.851 1.00 0.00 N ATOM 693 CA TYR A 46 27.113 28.426 45.123 1.00 0.00 C ATOM 694 C TYR A 46 26.460 27.048 45.085 1.00 0.00 C ATOM 695 O TYR A 46 27.108 26.050 44.769 1.00 0.00 O ATOM 696 CB TYR A 46 27.770 28.654 46.485 1.00 0.00 C ATOM 697 CG TYR A 46 29.044 29.465 46.415 1.00 0.00 C ATOM 698 CD1 TYR A 46 30.109 29.056 45.622 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.183 30.642 47.141 1.00 0.00 C ATOM 700 CE1 TYR A 46 31.275 29.793 45.556 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.344 31.387 47.079 1.00 0.00 C ATOM 702 CZ TYR A 46 31.388 30.958 46.286 1.00 0.00 C ATOM 703 OH TYR A 46 32.547 31.697 46.221 1.00 0.00 O ATOM 0 H TYR A 46 26.097 30.207 45.558 1.00 0.00 H new ATOM 0 HA TYR A 46 27.877 28.467 44.347 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.062 29.161 47.140 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.989 27.688 46.940 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.023 28.146 45.047 1.00 0.00 H new ATOM 0 HD2 TYR A 46 28.369 30.980 47.765 1.00 0.00 H new ATOM 0 HE1 TYR A 46 32.094 29.459 44.936 1.00 0.00 H new ATOM 0 HE2 TYR A 46 30.434 32.300 47.648 1.00 0.00 H new ATOM 0 HH TYR A 46 32.622 32.111 45.336 1.00 0.00 H new ATOM 713 N SER A 47 25.172 27.002 45.408 1.00 0.00 N ATOM 714 CA SER A 47 24.430 25.746 45.415 1.00 0.00 C ATOM 715 C SER A 47 24.577 25.021 44.081 1.00 0.00 C ATOM 716 O SER A 47 24.727 23.800 44.040 1.00 0.00 O ATOM 717 CB SER A 47 22.950 26.005 45.706 1.00 0.00 C ATOM 718 OG SER A 47 22.415 26.967 44.814 1.00 0.00 O ATOM 0 H SER A 47 24.620 27.819 45.668 1.00 0.00 H new ATOM 0 HA SER A 47 24.843 25.113 46.201 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.391 25.073 45.619 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.833 26.352 46.733 1.00 0.00 H new ATOM 0 HG SER A 47 21.468 27.113 45.020 1.00 0.00 H new ATOM 724 N GLU A 48 24.534 25.783 42.992 1.00 0.00 N ATOM 725 CA GLU A 48 24.662 25.213 41.656 1.00 0.00 C ATOM 726 C GLU A 48 26.127 25.130 41.238 1.00 0.00 C ATOM 727 O GLU A 48 26.504 24.290 40.420 1.00 0.00 O ATOM 728 CB GLU A 48 23.878 26.050 40.643 1.00 0.00 C ATOM 729 CG GLU A 48 22.469 25.539 40.391 1.00 0.00 C ATOM 730 CD GLU A 48 21.574 25.671 41.608 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.051 26.781 41.840 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.397 24.666 42.327 1.00 0.00 O ATOM 0 H GLU A 48 24.412 26.795 43.009 1.00 0.00 H new ATOM 0 HA GLU A 48 24.251 24.204 41.679 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.824 27.079 40.999 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.423 26.067 39.699 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.030 26.091 39.560 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.515 24.492 40.090 1.00 0.00 H new ATOM 739 N PHE A 49 26.949 26.007 41.805 1.00 0.00 N ATOM 740 CA PHE A 49 28.372 26.034 41.491 1.00 0.00 C ATOM 741 C PHE A 49 28.992 24.650 41.654 1.00 0.00 C ATOM 742 O PHE A 49 28.932 24.052 42.729 1.00 0.00 O ATOM 743 CB PHE A 49 29.095 27.038 42.391 1.00 0.00 C ATOM 744 CG PHE A 49 30.591 26.992 42.260 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.210 27.407 41.092 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.377 26.534 43.305 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.587 27.366 40.968 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.754 26.491 43.187 1.00 0.00 C ATOM 749 CZ PHE A 49 33.359 26.906 42.017 1.00 0.00 C ATOM 0 H PHE A 49 26.654 26.708 42.484 1.00 0.00 H new ATOM 0 HA PHE A 49 28.483 26.342 40.451 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.748 28.043 42.152 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.823 26.845 43.429 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.610 27.767 40.269 1.00 0.00 H new ATOM 0 HD2 PHE A 49 30.909 26.207 44.222 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.058 27.693 40.053 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.356 26.133 44.009 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.434 26.871 41.922 1.00 0.00 H new ATOM 759 N LYS A 50 29.587 24.144 40.579 1.00 0.00 N ATOM 760 CA LYS A 50 30.220 22.830 40.600 1.00 0.00 C ATOM 761 C LYS A 50 31.740 22.958 40.577 1.00 0.00 C ATOM 762 O LYS A 50 32.368 22.815 39.529 1.00 0.00 O ATOM 763 CB LYS A 50 29.749 21.995 39.407 1.00 0.00 C ATOM 764 CG LYS A 50 28.239 21.965 39.245 1.00 0.00 C ATOM 765 CD LYS A 50 27.557 21.387 40.474 1.00 0.00 C ATOM 766 CE LYS A 50 27.932 19.928 40.685 1.00 0.00 C ATOM 767 NZ LYS A 50 26.742 19.035 40.622 1.00 0.00 N ATOM 0 H LYS A 50 29.644 24.625 39.681 1.00 0.00 H new ATOM 0 HA LYS A 50 29.929 22.329 41.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.196 22.393 38.496 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.114 20.974 39.521 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.871 22.975 39.065 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.978 21.370 38.370 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.837 21.967 41.353 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.476 21.474 40.366 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.654 19.625 39.927 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.420 19.815 41.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.039 18.050 40.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.064 19.307 41.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.290 19.124 39.689 1.00 0.00 H new ATOM 781 N GLY A 51 32.325 23.225 41.741 1.00 0.00 N ATOM 782 CA GLY A 51 33.766 23.365 41.831 1.00 0.00 C ATOM 783 C GLY A 51 34.282 23.155 43.241 1.00 0.00 C ATOM 784 O GLY A 51 33.639 22.488 44.051 1.00 0.00 O ATOM 0 H GLY A 51 31.827 23.347 42.623 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.240 22.646 41.163 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.054 24.358 41.486 1.00 0.00 H new ATOM 788 N ASP A 52 35.445 23.726 43.534 1.00 0.00 N ATOM 789 CA ASP A 52 36.048 23.597 44.856 1.00 0.00 C ATOM 790 C ASP A 52 35.725 24.812 45.721 1.00 0.00 C ATOM 791 O ASP A 52 36.449 25.808 45.707 1.00 0.00 O ATOM 792 CB ASP A 52 37.563 23.431 44.735 1.00 0.00 C ATOM 793 CG ASP A 52 37.950 22.364 43.730 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.169 21.406 43.551 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.034 22.486 43.122 1.00 0.00 O ATOM 0 H ASP A 52 35.989 24.282 42.875 1.00 0.00 H new ATOM 0 HA ASP A 52 35.630 22.711 45.334 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.007 24.382 44.440 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.977 23.174 45.710 1.00 0.00 H new ATOM 800 N LEU A 53 34.632 24.723 46.471 1.00 0.00 N ATOM 801 CA LEU A 53 34.211 25.816 47.342 1.00 0.00 C ATOM 802 C LEU A 53 35.205 26.018 48.481 1.00 0.00 C ATOM 803 O LEU A 53 35.190 27.047 49.155 1.00 0.00 O ATOM 804 CB LEU A 53 32.819 25.534 47.909 1.00 0.00 C ATOM 805 CG LEU A 53 31.722 26.525 47.517 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.563 25.801 46.849 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.239 27.296 48.737 1.00 0.00 C ATOM 0 H LEU A 53 34.021 23.906 46.494 1.00 0.00 H new ATOM 0 HA LEU A 53 34.177 26.729 46.748 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.513 24.538 47.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.889 25.512 48.997 1.00 0.00 H new ATOM 0 HG LEU A 53 32.139 27.236 46.804 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.792 26.522 46.577 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.919 25.295 45.952 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.146 25.067 47.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.459 27.996 48.439 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.839 26.599 49.473 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.073 27.846 49.173 1.00 0.00 H new ATOM 819 N GLU A 54 36.070 25.029 48.687 1.00 0.00 N ATOM 820 CA GLU A 54 37.072 25.100 49.744 1.00 0.00 C ATOM 821 C GLU A 54 38.227 26.011 49.338 1.00 0.00 C ATOM 822 O GLU A 54 38.774 26.745 50.162 1.00 0.00 O ATOM 823 CB GLU A 54 37.602 23.702 50.070 1.00 0.00 C ATOM 824 CG GLU A 54 38.185 22.976 48.869 1.00 0.00 C ATOM 825 CD GLU A 54 38.734 21.608 49.224 1.00 0.00 C ATOM 826 OE1 GLU A 54 37.931 20.657 49.333 1.00 0.00 O ATOM 827 OE2 GLU A 54 39.965 21.488 49.393 1.00 0.00 O ATOM 0 H GLU A 54 36.097 24.171 48.137 1.00 0.00 H new ATOM 0 HA GLU A 54 36.597 25.517 50.632 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.368 23.784 50.841 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.792 23.104 50.487 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.414 22.867 48.106 1.00 0.00 H new ATOM 0 HG3 GLU A 54 38.981 23.581 48.435 1.00 0.00 H new ATOM 834 N THR A 55 38.594 25.959 48.061 1.00 0.00 N ATOM 835 CA THR A 55 39.684 26.777 47.545 1.00 0.00 C ATOM 836 C THR A 55 39.246 27.566 46.317 1.00 0.00 C ATOM 837 O THR A 55 39.394 27.105 45.185 1.00 0.00 O ATOM 838 CB THR A 55 40.908 25.916 47.178 1.00 0.00 C ATOM 839 OG1 THR A 55 40.564 24.994 46.138 1.00 0.00 O ATOM 840 CG2 THR A 55 41.416 25.152 48.392 1.00 0.00 C ATOM 0 H THR A 55 38.152 25.358 47.365 1.00 0.00 H new ATOM 0 HA THR A 55 39.961 27.470 48.339 1.00 0.00 H new ATOM 0 HB THR A 55 41.699 26.579 46.828 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.016 25.449 45.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.280 24.551 48.108 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.704 25.857 49.171 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.628 24.499 48.767 1.00 0.00 H new ATOM 848 N LEU A 56 38.706 28.758 46.547 1.00 0.00 N ATOM 849 CA LEU A 56 38.246 29.612 45.458 1.00 0.00 C ATOM 850 C LEU A 56 38.505 31.082 45.773 1.00 0.00 C ATOM 851 O LEU A 56 37.670 31.754 46.378 1.00 0.00 O ATOM 852 CB LEU A 56 36.754 29.389 45.204 1.00 0.00 C ATOM 853 CG LEU A 56 36.082 30.375 44.247 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.543 30.131 42.819 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.567 30.265 44.346 1.00 0.00 C ATOM 0 H LEU A 56 38.576 29.155 47.478 1.00 0.00 H new ATOM 0 HA LEU A 56 38.805 29.347 44.560 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.619 28.382 44.810 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.233 29.429 46.161 1.00 0.00 H new ATOM 0 HG LEU A 56 36.373 31.386 44.533 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.054 30.842 42.152 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.624 30.260 42.758 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.282 29.116 42.521 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.105 30.974 43.658 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.258 29.253 44.086 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.252 30.490 45.365 1.00 0.00 H new ATOM 867 N GLN A 57 39.667 31.575 45.357 1.00 0.00 N ATOM 868 CA GLN A 57 40.035 32.966 45.593 1.00 0.00 C ATOM 869 C GLN A 57 41.268 33.349 44.782 1.00 0.00 C ATOM 870 O GLN A 57 42.026 32.496 44.319 1.00 0.00 O ATOM 871 CB GLN A 57 40.297 33.200 47.082 1.00 0.00 C ATOM 872 CG GLN A 57 39.155 33.903 47.798 1.00 0.00 C ATOM 873 CD GLN A 57 39.622 34.701 48.999 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.763 35.923 48.931 1.00 0.00 O ATOM 875 NE2 GLN A 57 39.866 34.014 50.109 1.00 0.00 N ATOM 0 H GLN A 57 40.370 31.032 44.855 1.00 0.00 H new ATOM 0 HA GLN A 57 39.204 33.594 45.274 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.482 32.240 47.565 1.00 0.00 H new ATOM 0 HB3 GLN A 57 41.205 33.793 47.194 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.648 34.569 47.099 1.00 0.00 H new ATOM 0 HG3 GLN A 57 38.423 33.163 48.121 1.00 0.00 H new ATOM 0 HE21 GLN A 57 39.736 33.002 50.122 1.00 0.00 H new ATOM 0 HE22 GLN A 57 40.183 34.498 50.949 1.00 0.00 H new ATOM 884 N PRO A 58 41.476 34.661 44.603 1.00 0.00 N ATOM 885 CA PRO A 58 40.580 35.686 45.148 1.00 0.00 C ATOM 886 C PRO A 58 39.226 35.705 44.447 1.00 0.00 C ATOM 887 O PRO A 58 38.261 36.275 44.955 1.00 0.00 O ATOM 888 CB PRO A 58 41.335 36.992 44.888 1.00 0.00 C ATOM 889 CG PRO A 58 42.215 36.695 43.724 1.00 0.00 C ATOM 890 CD PRO A 58 42.600 35.247 43.854 1.00 0.00 C ATOM 0 HA PRO A 58 40.353 35.511 46.200 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.648 37.809 44.667 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.918 37.292 45.759 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.694 36.877 42.784 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.097 37.335 43.728 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.723 34.775 42.879 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.543 35.128 44.387 1.00 0.00 H new ATOM 898 N GLY A 59 39.161 35.076 43.277 1.00 0.00 N ATOM 899 CA GLY A 59 37.920 35.033 42.526 1.00 0.00 C ATOM 900 C GLY A 59 37.951 34.003 41.414 1.00 0.00 C ATOM 901 O GLY A 59 37.008 33.230 41.249 1.00 0.00 O ATOM 0 H GLY A 59 39.946 34.596 42.836 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.097 34.807 43.203 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.722 36.017 42.100 1.00 0.00 H new ATOM 905 N ASP A 60 39.037 33.994 40.649 1.00 0.00 N ATOM 906 CA ASP A 60 39.187 33.051 39.546 1.00 0.00 C ATOM 907 C ASP A 60 38.090 33.254 38.505 1.00 0.00 C ATOM 908 O ASP A 60 37.127 33.984 38.739 1.00 0.00 O ATOM 909 CB ASP A 60 39.153 31.614 40.067 1.00 0.00 C ATOM 910 CG ASP A 60 40.520 30.958 40.046 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.217 31.074 39.016 1.00 0.00 O ATOM 912 OD2 ASP A 60 40.892 30.328 41.058 1.00 0.00 O ATOM 0 H ASP A 60 39.826 34.628 40.772 1.00 0.00 H new ATOM 0 HA ASP A 60 40.151 33.234 39.072 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.767 31.609 41.086 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.462 31.027 39.461 1.00 0.00 H new ATOM 917 N ASP A 61 38.244 32.604 37.357 1.00 0.00 N ATOM 918 CA ASP A 61 37.267 32.713 36.280 1.00 0.00 C ATOM 919 C ASP A 61 36.229 31.599 36.374 1.00 0.00 C ATOM 920 O ASP A 61 36.513 30.512 36.877 1.00 0.00 O ATOM 921 CB ASP A 61 37.966 32.662 34.921 1.00 0.00 C ATOM 922 CG ASP A 61 38.835 33.879 34.671 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.722 34.157 35.506 1.00 0.00 O ATOM 924 OD2 ASP A 61 38.630 34.552 33.640 1.00 0.00 O ATOM 0 H ASP A 61 39.036 31.996 37.148 1.00 0.00 H new ATOM 0 HA ASP A 61 36.757 33.671 36.381 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.580 31.763 34.865 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.217 32.586 34.133 1.00 0.00 H new ATOM 929 N VAL A 62 35.023 31.878 35.888 1.00 0.00 N ATOM 930 CA VAL A 62 33.942 30.900 35.917 1.00 0.00 C ATOM 931 C VAL A 62 33.104 30.969 34.645 1.00 0.00 C ATOM 932 O VAL A 62 33.042 32.008 33.988 1.00 0.00 O ATOM 933 CB VAL A 62 33.025 31.114 37.135 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.712 30.648 38.410 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.615 32.575 37.244 1.00 0.00 C ATOM 0 H VAL A 62 34.770 32.773 35.470 1.00 0.00 H new ATOM 0 HA VAL A 62 34.406 29.917 35.989 1.00 0.00 H new ATOM 0 HB VAL A 62 32.123 30.517 36.998 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.048 30.807 39.260 1.00 0.00 H new ATOM 0 HG12 VAL A 62 33.949 29.587 38.329 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.631 31.215 38.556 1.00 0.00 H new ATOM 0 HG21 VAL A 62 31.967 32.707 38.110 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.504 33.195 37.358 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.079 32.871 36.342 1.00 0.00 H new ATOM 945 N GLU A 63 32.462 29.856 34.305 1.00 0.00 N ATOM 946 CA GLU A 63 31.627 29.792 33.111 1.00 0.00 C ATOM 947 C GLU A 63 30.158 29.617 33.482 1.00 0.00 C ATOM 948 O GLU A 63 29.833 29.084 34.544 1.00 0.00 O ATOM 949 CB GLU A 63 32.077 28.639 32.209 1.00 0.00 C ATOM 950 CG GLU A 63 31.676 28.813 30.754 1.00 0.00 C ATOM 951 CD GLU A 63 32.024 27.605 29.905 1.00 0.00 C ATOM 952 OE1 GLU A 63 31.208 26.661 29.856 1.00 0.00 O ATOM 953 OE2 GLU A 63 33.111 27.605 29.291 1.00 0.00 O ATOM 0 H GLU A 63 32.504 28.988 34.838 1.00 0.00 H new ATOM 0 HA GLU A 63 31.737 30.732 32.571 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.161 28.543 32.269 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.653 27.708 32.585 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.603 28.996 30.696 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.172 29.694 30.347 1.00 0.00 H new ATOM 960 N PHE A 64 29.273 30.072 32.601 1.00 0.00 N ATOM 961 CA PHE A 64 27.837 29.968 32.837 1.00 0.00 C ATOM 962 C PHE A 64 27.058 30.162 31.539 1.00 0.00 C ATOM 963 O PHE A 64 27.595 30.655 30.546 1.00 0.00 O ATOM 964 CB PHE A 64 27.393 31.004 33.871 1.00 0.00 C ATOM 965 CG PHE A 64 27.788 32.410 33.521 1.00 0.00 C ATOM 966 CD1 PHE A 64 29.020 32.913 33.904 1.00 0.00 C ATOM 967 CD2 PHE A 64 26.927 33.228 32.806 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.386 34.207 33.583 1.00 0.00 C ATOM 969 CE2 PHE A 64 27.288 34.522 32.482 1.00 0.00 C ATOM 970 CZ PHE A 64 28.519 35.012 32.870 1.00 0.00 C ATOM 0 H PHE A 64 29.524 30.516 31.718 1.00 0.00 H new ATOM 0 HA PHE A 64 27.628 28.969 33.220 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.309 30.956 33.979 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.822 30.745 34.839 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.703 32.287 34.460 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.963 32.850 32.499 1.00 0.00 H new ATOM 0 HE1 PHE A 64 30.349 34.588 33.889 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.608 35.150 31.926 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.804 36.023 32.617 1.00 0.00 H new ATOM 980 N THR A 65 25.788 29.771 31.554 1.00 0.00 N ATOM 981 CA THR A 65 24.934 29.899 30.380 1.00 0.00 C ATOM 982 C THR A 65 23.580 30.496 30.747 1.00 0.00 C ATOM 983 O THR A 65 22.746 29.832 31.363 1.00 0.00 O ATOM 984 CB THR A 65 24.714 28.537 29.694 1.00 0.00 C ATOM 985 OG1 THR A 65 25.975 27.932 29.390 1.00 0.00 O ATOM 986 CG2 THR A 65 23.902 28.700 28.418 1.00 0.00 C ATOM 0 H THR A 65 25.328 29.363 32.367 1.00 0.00 H new ATOM 0 HA THR A 65 25.446 30.567 29.688 1.00 0.00 H new ATOM 0 HB THR A 65 24.160 27.895 30.379 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.826 27.066 28.956 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.759 27.726 27.951 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.931 29.133 28.658 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.433 29.358 27.730 1.00 0.00 H new ATOM 994 N ILE A 66 23.369 31.750 30.365 1.00 0.00 N ATOM 995 CA ILE A 66 22.114 32.435 30.652 1.00 0.00 C ATOM 996 C ILE A 66 20.982 31.897 29.784 1.00 0.00 C ATOM 997 O ILE A 66 21.143 31.719 28.576 1.00 0.00 O ATOM 998 CB ILE A 66 22.239 33.954 30.432 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.460 34.501 31.174 1.00 0.00 C ATOM 1000 CG2 ILE A 66 20.972 34.661 30.891 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.605 34.876 30.259 1.00 0.00 C ATOM 0 H ILE A 66 24.050 32.313 29.856 1.00 0.00 H new ATOM 0 HA ILE A 66 21.884 32.246 31.701 1.00 0.00 H new ATOM 0 HB ILE A 66 22.372 34.142 29.367 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.163 35.378 31.749 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.806 33.754 31.888 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.075 35.734 30.729 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.121 34.288 30.321 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.811 34.468 31.952 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.436 35.256 30.853 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.929 33.997 29.702 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.276 35.646 29.561 1.00 0.00 H new ATOM 1013 N LYS A 67 19.837 31.641 30.406 1.00 0.00 N ATOM 1014 CA LYS A 67 18.675 31.127 29.690 1.00 0.00 C ATOM 1015 C LYS A 67 17.506 32.102 29.778 1.00 0.00 C ATOM 1016 O LYS A 67 17.649 33.213 30.290 1.00 0.00 O ATOM 1017 CB LYS A 67 18.262 29.767 30.257 1.00 0.00 C ATOM 1018 CG LYS A 67 19.412 28.782 30.373 1.00 0.00 C ATOM 1019 CD LYS A 67 19.980 28.423 29.010 1.00 0.00 C ATOM 1020 CE LYS A 67 20.532 27.006 28.991 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.905 26.181 27.922 1.00 0.00 N ATOM 0 H LYS A 67 19.688 31.781 31.405 1.00 0.00 H new ATOM 0 HA LYS A 67 18.949 31.009 28.641 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.819 29.913 31.242 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.489 29.337 29.620 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.198 29.211 30.994 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.068 27.877 30.874 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.202 28.521 28.253 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.771 29.126 28.748 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.611 27.039 28.839 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.361 26.536 29.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.308 25.222 27.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.879 26.129 28.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.090 26.615 26.995 1.00 0.00 H new ATOM 1129 N VAL A 74 19.761 34.832 36.200 1.00 0.00 N ATOM 1130 CA VAL A 74 20.697 34.107 37.051 1.00 0.00 C ATOM 1131 C VAL A 74 21.381 32.983 36.282 1.00 0.00 C ATOM 1132 O VAL A 74 20.759 32.312 35.458 1.00 0.00 O ATOM 1133 CB VAL A 74 19.991 33.515 38.285 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.437 34.624 39.166 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.887 32.560 37.859 1.00 0.00 C ATOM 0 HA VAL A 74 21.447 34.826 37.381 1.00 0.00 H new ATOM 0 HB VAL A 74 20.722 32.953 38.866 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.942 34.187 40.033 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.253 35.266 39.499 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.719 35.216 38.598 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.399 32.151 38.743 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.155 33.096 37.256 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.315 31.747 37.272 1.00 0.00 H new ATOM 1145 N ALA A 75 22.666 32.782 36.557 1.00 0.00 N ATOM 1146 CA ALA A 75 23.435 31.736 35.893 1.00 0.00 C ATOM 1147 C ALA A 75 23.270 30.398 36.605 1.00 0.00 C ATOM 1148 O ALA A 75 23.441 30.304 37.821 1.00 0.00 O ATOM 1149 CB ALA A 75 24.904 32.124 35.826 1.00 0.00 C ATOM 0 H ALA A 75 23.196 33.330 37.235 1.00 0.00 H new ATOM 0 HA ALA A 75 23.053 31.626 34.878 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.467 31.334 35.328 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.010 33.053 35.266 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.290 32.263 36.836 1.00 0.00 H new ATOM 1155 N THR A 76 22.938 29.362 35.840 1.00 0.00 N ATOM 1156 CA THR A 76 22.749 28.029 36.399 1.00 0.00 C ATOM 1157 C THR A 76 23.885 27.097 35.993 1.00 0.00 C ATOM 1158 O THR A 76 24.491 27.266 34.935 1.00 0.00 O ATOM 1159 CB THR A 76 21.410 27.416 35.947 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.499 28.453 35.568 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.797 26.576 37.058 1.00 0.00 C ATOM 0 H THR A 76 22.795 29.421 34.832 1.00 0.00 H new ATOM 0 HA THR A 76 22.743 28.138 37.484 1.00 0.00 H new ATOM 0 HB THR A 76 21.602 26.771 35.089 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.651 28.055 35.280 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.852 26.153 36.716 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.480 25.769 37.323 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.619 27.203 37.932 1.00 0.00 H new ATOM 1169 N ASP A 77 24.168 26.114 36.840 1.00 0.00 N ATOM 1170 CA ASP A 77 25.231 25.153 36.569 1.00 0.00 C ATOM 1171 C ASP A 77 26.543 25.867 36.258 1.00 0.00 C ATOM 1172 O ASP A 77 27.048 25.800 35.137 1.00 0.00 O ATOM 1173 CB ASP A 77 24.841 24.245 35.401 1.00 0.00 C ATOM 1174 CG ASP A 77 25.763 23.049 35.265 1.00 0.00 C ATOM 1175 OD1 ASP A 77 26.802 23.176 34.584 1.00 0.00 O ATOM 1176 OD2 ASP A 77 25.445 21.986 35.839 1.00 0.00 O ATOM 0 H ASP A 77 23.676 25.961 37.720 1.00 0.00 H new ATOM 0 HA ASP A 77 25.373 24.544 37.462 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.818 23.897 35.541 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.858 24.821 34.476 1.00 0.00 H new ATOM 1181 N VAL A 78 27.089 26.552 37.258 1.00 0.00 N ATOM 1182 CA VAL A 78 28.342 27.279 37.091 1.00 0.00 C ATOM 1183 C VAL A 78 29.541 26.348 37.232 1.00 0.00 C ATOM 1184 O VAL A 78 29.549 25.453 38.078 1.00 0.00 O ATOM 1185 CB VAL A 78 28.469 28.420 38.118 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.807 29.129 37.966 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.317 29.401 37.969 1.00 0.00 C ATOM 0 H VAL A 78 26.684 26.619 38.192 1.00 0.00 H new ATOM 0 HA VAL A 78 28.331 27.703 36.087 1.00 0.00 H new ATOM 0 HB VAL A 78 28.424 27.991 39.119 1.00 0.00 H new ATOM 0 HG11 VAL A 78 29.879 29.932 38.700 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.616 28.417 38.127 1.00 0.00 H new ATOM 0 HG13 VAL A 78 29.885 29.547 36.962 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.423 30.200 38.702 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.328 29.826 36.965 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.373 28.881 38.133 1.00 0.00 H new ATOM 1197 N ARG A 79 30.552 26.564 36.397 1.00 0.00 N ATOM 1198 CA ARG A 79 31.757 25.743 36.428 1.00 0.00 C ATOM 1199 C ARG A 79 33.008 26.609 36.316 1.00 0.00 C ATOM 1200 O ARG A 79 33.135 27.419 35.396 1.00 0.00 O ATOM 1201 CB ARG A 79 31.730 24.717 35.293 1.00 0.00 C ATOM 1202 CG ARG A 79 30.559 23.752 35.373 1.00 0.00 C ATOM 1203 CD ARG A 79 30.257 23.129 34.019 1.00 0.00 C ATOM 1204 NE ARG A 79 30.033 21.690 34.115 1.00 0.00 N ATOM 1205 CZ ARG A 79 30.131 20.860 33.083 1.00 0.00 C ATOM 1206 NH1 ARG A 79 30.448 21.324 31.883 1.00 0.00 N ATOM 1207 NH2 ARG A 79 29.913 19.561 33.251 1.00 0.00 N ATOM 0 H ARG A 79 30.561 27.300 35.691 1.00 0.00 H new ATOM 0 HA ARG A 79 31.784 25.218 37.383 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.692 25.244 34.339 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.660 24.149 35.306 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.782 22.966 36.095 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.677 24.278 35.738 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.375 23.605 33.590 1.00 0.00 H new ATOM 0 HD3 ARG A 79 31.086 23.322 33.338 1.00 0.00 H new ATOM 0 HE ARG A 79 29.788 21.300 35.025 1.00 0.00 H new ATOM 0 HH11 ARG A 79 30.617 22.321 31.750 1.00 0.00 H new ATOM 0 HH12 ARG A 79 30.523 20.684 31.092 1.00 0.00 H new ATOM 0 HH21 ARG A 79 29.670 19.200 34.173 1.00 0.00 H new ATOM 0 HH22 ARG A 79 29.989 18.924 32.458 1.00 0.00 H new ATOM 1221 N LEU A 80 33.929 26.434 37.257 1.00 0.00 N ATOM 1222 CA LEU A 80 35.171 27.200 37.264 1.00 0.00 C ATOM 1223 C LEU A 80 35.899 27.069 35.931 1.00 0.00 C ATOM 1224 O LEU A 80 35.762 26.063 35.233 1.00 0.00 O ATOM 1225 CB LEU A 80 36.077 26.728 38.402 1.00 0.00 C ATOM 1226 CG LEU A 80 36.111 27.616 39.646 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.782 26.891 40.802 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.827 28.925 39.347 1.00 0.00 C ATOM 0 H LEU A 80 33.840 25.769 38.025 1.00 0.00 H new ATOM 0 HA LEU A 80 34.921 28.250 37.418 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.759 25.729 38.702 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.093 26.637 38.017 1.00 0.00 H new ATOM 0 HG LEU A 80 35.085 27.844 39.934 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.797 27.539 41.678 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.227 25.982 41.032 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.804 26.632 40.525 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.842 29.545 40.244 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.850 28.717 39.033 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.303 29.453 38.550 1.00 0.00 H new ATOM 1240 N LEU A 81 36.675 28.090 35.584 1.00 0.00 N ATOM 1241 CA LEU A 81 37.428 28.088 34.334 1.00 0.00 C ATOM 1242 C LEU A 81 38.901 27.786 34.587 1.00 0.00 C ATOM 1243 O LEU A 81 39.413 27.950 35.695 1.00 0.00 O ATOM 1244 CB LEU A 81 37.286 29.438 33.629 1.00 0.00 C ATOM 1245 CG LEU A 81 36.027 29.623 32.781 1.00 0.00 C ATOM 1246 CD1 LEU A 81 35.929 31.055 32.276 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.020 28.644 31.616 1.00 0.00 C ATOM 0 H LEU A 81 36.799 28.929 36.150 1.00 0.00 H new ATOM 0 HA LEU A 81 37.021 27.306 33.694 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.310 30.224 34.384 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.156 29.584 32.989 1.00 0.00 H new ATOM 0 HG LEU A 81 35.158 29.419 33.407 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.027 31.168 31.675 1.00 0.00 H new ATOM 0 HD12 LEU A 81 35.887 31.738 33.124 1.00 0.00 H new ATOM 0 HD13 LEU A 81 36.803 31.287 31.667 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.117 28.790 31.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.896 28.816 30.991 1.00 0.00 H new ATOM 0 HD23 LEU A 81 36.042 27.623 31.998 1.00 0.00 H new ATOM 1259 N PRO A 82 39.602 27.336 33.536 1.00 0.00 N ATOM 1260 CA PRO A 82 41.027 27.004 33.618 1.00 0.00 C ATOM 1261 C PRO A 82 41.901 28.241 33.795 1.00 0.00 C ATOM 1262 O PRO A 82 41.396 29.357 33.906 1.00 0.00 O ATOM 1263 CB PRO A 82 41.314 26.335 32.271 1.00 0.00 C ATOM 1264 CG PRO A 82 40.284 26.886 31.347 1.00 0.00 C ATOM 1265 CD PRO A 82 39.057 27.116 32.185 1.00 0.00 C ATOM 0 HA PRO A 82 41.249 26.373 34.479 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.321 26.563 31.922 1.00 0.00 H new ATOM 0 HB3 PRO A 82 41.240 25.250 32.344 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.625 27.816 30.892 1.00 0.00 H new ATOM 0 HG3 PRO A 82 40.077 26.190 30.534 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.488 27.978 31.836 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.385 26.258 32.158 1.00 0.00 H new