USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.647 K(o=-0.65,f=-1.4) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=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=-0.32) USER MOD Single : A 46 TYR OH : rot -172:sc= 0.346 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 45:sc= 1.17 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 28.845 31.902 28.368 1.00 0.00 N ATOM 272 CA CYS A 19 29.299 33.157 28.957 1.00 0.00 C ATOM 273 C CYS A 19 30.138 32.900 30.205 1.00 0.00 C ATOM 274 O CYS A 19 29.734 32.149 31.092 1.00 0.00 O ATOM 275 CB CYS A 19 28.102 34.042 29.307 1.00 0.00 C ATOM 276 SG CYS A 19 27.350 34.864 27.882 1.00 0.00 S ATOM 0 HA CYS A 19 29.920 33.671 28.223 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.346 33.433 29.802 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.421 34.799 30.023 1.00 0.00 H new ATOM 0 HG CYS A 19 26.345 35.587 28.279 1.00 0.00 H new ATOM 282 N GLN A 20 31.309 33.526 30.263 1.00 0.00 N ATOM 283 CA GLN A 20 32.206 33.363 31.401 1.00 0.00 C ATOM 284 C GLN A 20 32.821 34.699 31.805 1.00 0.00 C ATOM 285 O GLN A 20 32.766 35.672 31.054 1.00 0.00 O ATOM 286 CB GLN A 20 33.311 32.359 31.066 1.00 0.00 C ATOM 287 CG GLN A 20 34.302 32.869 30.033 1.00 0.00 C ATOM 288 CD GLN A 20 34.377 31.979 28.808 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.356 31.644 28.207 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.590 31.592 28.429 1.00 0.00 N ATOM 0 H GLN A 20 31.659 34.150 29.536 1.00 0.00 H new ATOM 0 HA GLN A 20 31.623 32.984 32.240 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.849 32.105 31.979 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.856 31.439 30.698 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.018 33.876 29.729 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.290 32.940 30.487 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.409 31.893 28.956 1.00 0.00 H new ATOM 0 HE22 GLN A 20 35.702 30.994 27.611 1.00 0.00 H new ATOM 299 N GLY A 21 33.408 34.738 32.998 1.00 0.00 N ATOM 300 CA GLY A 21 34.025 35.959 33.481 1.00 0.00 C ATOM 301 C GLY A 21 34.963 35.713 34.646 1.00 0.00 C ATOM 302 O GLY A 21 35.738 34.756 34.637 1.00 0.00 O ATOM 0 H GLY A 21 33.467 33.946 33.638 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.577 36.430 32.667 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.247 36.659 33.786 1.00 0.00 H new ATOM 306 N VAL A 22 34.896 36.580 35.652 1.00 0.00 N ATOM 307 CA VAL A 22 35.746 36.452 36.829 1.00 0.00 C ATOM 308 C VAL A 22 34.981 36.800 38.100 1.00 0.00 C ATOM 309 O VAL A 22 34.347 37.852 38.189 1.00 0.00 O ATOM 310 CB VAL A 22 36.987 37.359 36.726 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.948 37.083 37.872 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.677 37.168 35.384 1.00 0.00 C ATOM 0 H VAL A 22 34.262 37.378 35.675 1.00 0.00 H new ATOM 0 HA VAL A 22 36.068 35.412 36.875 1.00 0.00 H new ATOM 0 HB VAL A 22 36.663 38.397 36.798 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.818 37.733 37.782 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.448 37.276 38.821 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.268 36.042 37.836 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.551 37.817 35.329 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.989 36.129 35.280 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.986 37.422 34.580 1.00 0.00 H new ATOM 322 N VAL A 23 35.043 35.909 39.085 1.00 0.00 N ATOM 323 CA VAL A 23 34.356 36.121 40.353 1.00 0.00 C ATOM 324 C VAL A 23 34.703 37.483 40.944 1.00 0.00 C ATOM 325 O VAL A 23 35.799 37.684 41.468 1.00 0.00 O ATOM 326 CB VAL A 23 34.713 35.025 41.375 1.00 0.00 C ATOM 327 CG1 VAL A 23 34.009 35.280 42.699 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.357 33.651 40.828 1.00 0.00 C ATOM 0 H VAL A 23 35.563 35.033 39.029 1.00 0.00 H new ATOM 0 HA VAL A 23 33.287 36.079 40.145 1.00 0.00 H new ATOM 0 HB VAL A 23 35.788 35.053 41.552 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.273 34.496 43.408 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.318 36.247 43.095 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.930 35.280 42.543 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.616 32.889 41.563 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.288 33.608 40.621 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.912 33.471 39.907 1.00 0.00 H new ATOM 338 N CYS A 24 33.761 38.416 40.856 1.00 0.00 N ATOM 339 CA CYS A 24 33.966 39.761 41.382 1.00 0.00 C ATOM 340 C CYS A 24 33.469 39.865 42.820 1.00 0.00 C ATOM 341 O CYS A 24 34.168 40.378 43.694 1.00 0.00 O ATOM 342 CB CYS A 24 33.248 40.789 40.506 1.00 0.00 C ATOM 343 SG CYS A 24 33.519 42.505 41.007 1.00 0.00 S ATOM 0 H CYS A 24 32.848 38.266 40.426 1.00 0.00 H new ATOM 0 HA CYS A 24 35.036 39.969 41.371 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.579 40.666 39.475 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.178 40.581 40.524 1.00 0.00 H new ATOM 0 HG CYS A 24 32.873 43.298 40.205 1.00 0.00 H new ATOM 349 N ALA A 25 32.257 39.375 43.058 1.00 0.00 N ATOM 350 CA ALA A 25 31.666 39.412 44.390 1.00 0.00 C ATOM 351 C ALA A 25 32.088 38.199 45.212 1.00 0.00 C ATOM 352 O ALA A 25 32.157 37.083 44.698 1.00 0.00 O ATOM 353 CB ALA A 25 30.149 39.484 44.293 1.00 0.00 C ATOM 0 H ALA A 25 31.665 38.948 42.346 1.00 0.00 H new ATOM 0 HA ALA A 25 32.030 40.306 44.897 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.721 39.511 45.295 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.861 40.385 43.751 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.776 38.608 43.763 1.00 0.00 H new ATOM 359 N MET A 26 32.370 38.425 46.491 1.00 0.00 N ATOM 360 CA MET A 26 32.785 37.350 47.383 1.00 0.00 C ATOM 361 C MET A 26 31.828 37.223 48.564 1.00 0.00 C ATOM 362 O MET A 26 31.694 38.145 49.369 1.00 0.00 O ATOM 363 CB MET A 26 34.208 37.598 47.889 1.00 0.00 C ATOM 364 CG MET A 26 35.218 36.581 47.384 1.00 0.00 C ATOM 365 SD MET A 26 35.408 35.177 48.499 1.00 0.00 S ATOM 366 CE MET A 26 35.300 33.811 47.345 1.00 0.00 C ATOM 0 H MET A 26 32.318 39.343 46.932 1.00 0.00 H new ATOM 0 HA MET A 26 32.765 36.417 46.820 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.525 38.595 47.583 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.205 37.584 48.979 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.906 36.221 46.403 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.184 37.069 47.252 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.400 32.870 47.885 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.335 33.838 46.839 1.00 0.00 H new ATOM 0 HE3 MET A 26 36.099 33.893 46.608 1.00 0.00 H new ATOM 376 N LYS A 27 31.164 36.076 48.662 1.00 0.00 N ATOM 377 CA LYS A 27 30.220 35.828 49.745 1.00 0.00 C ATOM 378 C LYS A 27 30.220 34.355 50.140 1.00 0.00 C ATOM 379 O LYS A 27 30.885 33.534 49.508 1.00 0.00 O ATOM 380 CB LYS A 27 28.811 36.256 49.329 1.00 0.00 C ATOM 381 CG LYS A 27 28.114 37.134 50.353 1.00 0.00 C ATOM 382 CD LYS A 27 26.664 36.724 50.546 1.00 0.00 C ATOM 383 CE LYS A 27 26.426 36.154 51.936 1.00 0.00 C ATOM 384 NZ LYS A 27 26.298 37.227 52.961 1.00 0.00 N ATOM 0 H LYS A 27 31.263 35.303 48.004 1.00 0.00 H new ATOM 0 HA LYS A 27 30.532 36.417 50.607 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.868 36.793 48.382 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.207 35.366 49.155 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.640 37.071 51.305 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.159 38.175 50.032 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.017 37.587 50.390 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.392 35.982 49.796 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.520 35.548 51.930 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.250 35.493 52.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.137 36.798 53.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.172 37.790 52.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.496 37.843 52.720 1.00 0.00 H new ATOM 398 N GLU A 28 29.468 34.027 51.186 1.00 0.00 N ATOM 399 CA GLU A 28 29.382 32.652 51.663 1.00 0.00 C ATOM 400 C GLU A 28 28.028 32.039 51.314 1.00 0.00 C ATOM 401 O GLU A 28 27.416 31.353 52.132 1.00 0.00 O ATOM 402 CB GLU A 28 29.603 32.598 53.176 1.00 0.00 C ATOM 403 CG GLU A 28 31.037 32.884 53.591 1.00 0.00 C ATOM 404 CD GLU A 28 31.234 32.814 55.093 1.00 0.00 C ATOM 405 OE1 GLU A 28 31.013 31.728 55.670 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.609 33.843 55.692 1.00 0.00 O ATOM 0 H GLU A 28 28.910 34.694 51.719 1.00 0.00 H new ATOM 0 HA GLU A 28 30.162 32.074 51.168 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.943 33.320 53.657 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.317 31.612 53.542 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.701 32.168 53.107 1.00 0.00 H new ATOM 0 HG3 GLU A 28 31.323 33.874 53.236 1.00 0.00 H new ATOM 413 N ALA A 29 27.567 32.293 50.094 1.00 0.00 N ATOM 414 CA ALA A 29 26.288 31.766 49.636 1.00 0.00 C ATOM 415 C ALA A 29 26.095 32.013 48.144 1.00 0.00 C ATOM 416 O ALA A 29 25.570 31.162 47.426 1.00 0.00 O ATOM 417 CB ALA A 29 25.147 32.387 50.428 1.00 0.00 C ATOM 0 H ALA A 29 28.060 32.861 49.405 1.00 0.00 H new ATOM 0 HA ALA A 29 26.287 30.689 49.802 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.198 31.984 50.075 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.269 32.154 51.486 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.155 33.468 50.291 1.00 0.00 H new ATOM 423 N PHE A 30 26.521 33.185 47.683 1.00 0.00 N ATOM 424 CA PHE A 30 26.393 33.545 46.276 1.00 0.00 C ATOM 425 C PHE A 30 27.446 34.576 45.880 1.00 0.00 C ATOM 426 O PHE A 30 28.144 35.124 46.732 1.00 0.00 O ATOM 427 CB PHE A 30 24.994 34.095 45.993 1.00 0.00 C ATOM 428 CG PHE A 30 24.537 35.115 46.996 1.00 0.00 C ATOM 429 CD1 PHE A 30 25.180 36.338 47.103 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.464 34.853 47.832 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.763 37.278 48.025 1.00 0.00 C ATOM 432 CE2 PHE A 30 23.041 35.789 48.757 1.00 0.00 C ATOM 433 CZ PHE A 30 23.691 37.004 48.853 1.00 0.00 C ATOM 0 H PHE A 30 26.958 33.901 48.264 1.00 0.00 H new ATOM 0 HA PHE A 30 26.549 32.645 45.682 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.983 34.544 45.000 1.00 0.00 H new ATOM 0 HB3 PHE A 30 24.284 33.268 45.978 1.00 0.00 H new ATOM 0 HD1 PHE A 30 26.017 36.559 46.458 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.951 33.905 47.760 1.00 0.00 H new ATOM 0 HE1 PHE A 30 25.274 38.226 48.099 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.204 35.571 49.403 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.362 37.738 49.574 1.00 0.00 H new ATOM 443 N GLY A 31 27.555 34.834 44.580 1.00 0.00 N ATOM 444 CA GLY A 31 28.525 35.798 44.094 1.00 0.00 C ATOM 445 C GLY A 31 28.135 36.386 42.753 1.00 0.00 C ATOM 446 O GLY A 31 27.008 36.206 42.292 1.00 0.00 O ATOM 0 H GLY A 31 26.989 34.393 43.855 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.631 36.602 44.823 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.499 35.317 44.007 1.00 0.00 H new ATOM 450 N PHE A 32 29.069 37.093 42.124 1.00 0.00 N ATOM 451 CA PHE A 32 28.817 37.712 40.829 1.00 0.00 C ATOM 452 C PHE A 32 29.997 37.500 39.885 1.00 0.00 C ATOM 453 O PHE A 32 31.136 37.336 40.326 1.00 0.00 O ATOM 454 CB PHE A 32 28.547 39.208 40.999 1.00 0.00 C ATOM 455 CG PHE A 32 27.115 39.527 41.318 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.599 39.272 42.579 1.00 0.00 C ATOM 457 CD2 PHE A 32 26.284 40.082 40.358 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.281 39.564 42.875 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.965 40.376 40.649 1.00 0.00 C ATOM 460 CZ PHE A 32 24.463 40.117 41.909 1.00 0.00 C ATOM 0 H PHE A 32 30.007 37.251 42.491 1.00 0.00 H new ATOM 0 HA PHE A 32 27.937 37.238 40.393 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.183 39.595 41.795 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.831 39.726 40.083 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.234 38.840 43.339 1.00 0.00 H new ATOM 0 HD2 PHE A 32 26.671 40.287 39.371 1.00 0.00 H new ATOM 0 HE1 PHE A 32 24.891 39.360 43.861 1.00 0.00 H new ATOM 0 HE2 PHE A 32 24.328 40.808 39.892 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.433 40.346 42.139 1.00 0.00 H new ATOM 470 N ILE A 33 29.717 37.505 38.587 1.00 0.00 N ATOM 471 CA ILE A 33 30.755 37.314 37.581 1.00 0.00 C ATOM 472 C ILE A 33 30.827 38.506 36.632 1.00 0.00 C ATOM 473 O ILE A 33 29.844 38.847 35.975 1.00 0.00 O ATOM 474 CB ILE A 33 30.517 36.033 36.762 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.282 34.842 37.693 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.697 35.766 35.840 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.924 33.566 36.965 1.00 0.00 C ATOM 0 H ILE A 33 28.780 37.639 38.206 1.00 0.00 H new ATOM 0 HA ILE A 33 31.700 37.222 38.117 1.00 0.00 H new ATOM 0 HB ILE A 33 29.626 36.172 36.149 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.181 34.672 38.286 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.482 35.089 38.391 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.513 34.857 35.268 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.822 36.606 35.157 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.603 35.644 36.434 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.772 32.765 37.688 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.008 33.718 36.394 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.733 33.294 36.287 1.00 0.00 H new ATOM 489 N GLU A 34 31.997 39.132 36.563 1.00 0.00 N ATOM 490 CA GLU A 34 32.196 40.285 35.693 1.00 0.00 C ATOM 491 C GLU A 34 32.087 39.883 34.225 1.00 0.00 C ATOM 492 O GLU A 34 32.724 38.927 33.783 1.00 0.00 O ATOM 493 CB GLU A 34 33.561 40.923 35.958 1.00 0.00 C ATOM 494 CG GLU A 34 33.483 42.389 36.348 1.00 0.00 C ATOM 495 CD GLU A 34 34.482 43.247 35.596 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.683 42.904 35.607 1.00 0.00 O ATOM 497 OE2 GLU A 34 34.064 44.260 34.998 1.00 0.00 O ATOM 0 H GLU A 34 32.821 38.860 37.099 1.00 0.00 H new ATOM 0 HA GLU A 34 31.415 41.013 35.912 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.062 40.371 36.753 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.177 40.826 35.064 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.476 42.759 36.157 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.660 42.486 37.419 1.00 0.00 H new ATOM 601 N GLU A 41 25.120 42.083 33.983 1.00 0.00 N ATOM 602 CA GLU A 41 25.598 41.198 35.039 1.00 0.00 C ATOM 603 C GLU A 41 24.573 40.108 35.340 1.00 0.00 C ATOM 604 O GLU A 41 23.436 40.164 34.872 1.00 0.00 O ATOM 605 CB GLU A 41 25.896 41.998 36.309 1.00 0.00 C ATOM 606 CG GLU A 41 26.923 43.099 36.107 1.00 0.00 C ATOM 607 CD GLU A 41 26.288 44.466 35.943 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.882 45.060 36.964 1.00 0.00 O ATOM 609 OE2 GLU A 41 26.198 44.943 34.792 1.00 0.00 O ATOM 0 HA GLU A 41 26.516 40.724 34.693 1.00 0.00 H new ATOM 0 HB2 GLU A 41 24.970 42.440 36.676 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.253 41.317 37.082 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.602 43.118 36.959 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.524 42.873 35.226 1.00 0.00 H new ATOM 616 N ILE A 42 24.985 39.118 36.125 1.00 0.00 N ATOM 617 CA ILE A 42 24.104 38.016 36.489 1.00 0.00 C ATOM 618 C ILE A 42 24.356 37.561 37.923 1.00 0.00 C ATOM 619 O ILE A 42 25.359 37.929 38.535 1.00 0.00 O ATOM 620 CB ILE A 42 24.285 36.814 35.543 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.521 36.005 35.941 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.396 37.287 34.101 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.798 36.817 35.948 1.00 0.00 C ATOM 0 H ILE A 42 25.923 39.057 36.521 1.00 0.00 H new ATOM 0 HA ILE A 42 23.083 38.387 36.401 1.00 0.00 H new ATOM 0 HB ILE A 42 23.410 36.169 35.627 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.364 35.581 36.933 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.635 35.169 35.251 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.524 36.426 33.445 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.489 37.824 33.823 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.255 37.950 34.001 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.633 36.180 36.239 1.00 0.00 H new ATOM 0 HD12 ILE A 42 26.979 37.219 34.951 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.703 37.638 36.659 1.00 0.00 H new ATOM 635 N PHE A 43 23.439 36.758 38.453 1.00 0.00 N ATOM 636 CA PHE A 43 23.562 36.252 39.815 1.00 0.00 C ATOM 637 C PHE A 43 23.604 34.727 39.827 1.00 0.00 C ATOM 638 O PHE A 43 22.679 34.065 39.356 1.00 0.00 O ATOM 639 CB PHE A 43 22.396 36.748 40.673 1.00 0.00 C ATOM 640 CG PHE A 43 22.350 36.126 42.040 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.678 34.933 42.250 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.979 36.735 43.114 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.635 34.358 43.506 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.939 36.165 44.372 1.00 0.00 C ATOM 645 CZ PHE A 43 22.265 34.976 44.569 1.00 0.00 C ATOM 0 H PHE A 43 22.603 36.444 37.960 1.00 0.00 H new ATOM 0 HA PHE A 43 24.497 36.627 40.232 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.467 37.831 40.777 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.460 36.538 40.156 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.182 34.447 41.423 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.506 37.666 42.966 1.00 0.00 H new ATOM 0 HE1 PHE A 43 21.109 33.427 43.656 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.435 36.649 45.201 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.230 34.530 45.552 1.00 0.00 H new ATOM 655 N PHE A 44 24.685 34.175 40.368 1.00 0.00 N ATOM 656 CA PHE A 44 24.851 32.728 40.440 1.00 0.00 C ATOM 657 C PHE A 44 24.915 32.260 41.891 1.00 0.00 C ATOM 658 O PHE A 44 25.447 32.955 42.757 1.00 0.00 O ATOM 659 CB PHE A 44 26.118 32.300 39.698 1.00 0.00 C ATOM 660 CG PHE A 44 27.385 32.651 40.424 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.934 31.777 41.349 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.028 33.854 40.181 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.100 32.098 42.019 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.194 34.180 40.848 1.00 0.00 C ATOM 665 CZ PHE A 44 29.731 33.301 41.767 1.00 0.00 C ATOM 0 H PHE A 44 25.460 34.708 40.763 1.00 0.00 H new ATOM 0 HA PHE A 44 23.987 32.264 39.964 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.088 31.223 39.536 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.130 32.770 38.715 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.446 30.835 41.549 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.613 34.545 39.462 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.517 31.409 42.739 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.684 35.122 40.650 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.643 33.553 42.288 1.00 0.00 H new ATOM 675 N HIS A 45 24.368 31.076 42.150 1.00 0.00 N ATOM 676 CA HIS A 45 24.363 30.514 43.495 1.00 0.00 C ATOM 677 C HIS A 45 25.335 29.342 43.599 1.00 0.00 C ATOM 678 O HIS A 45 25.448 28.534 42.677 1.00 0.00 O ATOM 679 CB HIS A 45 22.954 30.057 43.875 1.00 0.00 C ATOM 680 CG HIS A 45 22.575 30.391 45.285 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.963 29.631 46.368 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.842 31.412 45.787 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.482 30.168 47.475 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.798 31.251 47.150 1.00 0.00 N ATOM 0 H HIS A 45 23.923 30.488 41.446 1.00 0.00 H new ATOM 0 HA HIS A 45 24.684 31.292 44.187 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.236 30.517 43.196 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.880 28.979 43.734 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.378 32.206 45.221 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.624 29.787 48.475 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.316 31.867 47.805 1.00 0.00 H new ATOM 692 N TYR A 46 26.034 29.257 44.725 1.00 0.00 N ATOM 693 CA TYR A 46 26.999 28.187 44.947 1.00 0.00 C ATOM 694 C TYR A 46 26.338 26.819 44.800 1.00 0.00 C ATOM 695 O TYR A 46 26.995 25.832 44.471 1.00 0.00 O ATOM 696 CB TYR A 46 27.625 28.316 46.336 1.00 0.00 C ATOM 697 CG TYR A 46 28.648 29.425 46.438 1.00 0.00 C ATOM 698 CD1 TYR A 46 29.637 29.576 45.474 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.624 30.324 47.498 1.00 0.00 C ATOM 700 CE1 TYR A 46 30.574 30.588 45.564 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.555 31.339 47.595 1.00 0.00 C ATOM 702 CZ TYR A 46 30.528 31.467 46.626 1.00 0.00 C ATOM 703 OH TYR A 46 31.459 32.476 46.718 1.00 0.00 O ATOM 0 H TYR A 46 25.950 29.917 45.499 1.00 0.00 H new ATOM 0 HA TYR A 46 27.782 28.276 44.194 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.835 28.493 47.066 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.098 27.371 46.601 1.00 0.00 H new ATOM 0 HD1 TYR A 46 29.674 28.891 44.640 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.864 30.227 48.259 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.338 30.690 44.807 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.521 32.029 48.425 1.00 0.00 H new ATOM 0 HH TYR A 46 31.371 32.924 47.585 1.00 0.00 H new ATOM 713 N SER A 47 25.033 26.771 45.046 1.00 0.00 N ATOM 714 CA SER A 47 24.282 25.525 44.945 1.00 0.00 C ATOM 715 C SER A 47 24.521 24.854 43.595 1.00 0.00 C ATOM 716 O SER A 47 24.585 23.629 43.503 1.00 0.00 O ATOM 717 CB SER A 47 22.787 25.788 45.138 1.00 0.00 C ATOM 718 OG SER A 47 22.172 24.732 45.855 1.00 0.00 O ATOM 0 H SER A 47 24.474 27.580 45.317 1.00 0.00 H new ATOM 0 HA SER A 47 24.631 24.855 45.731 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.646 26.726 45.674 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.306 25.901 44.166 1.00 0.00 H new ATOM 0 HG SER A 47 21.218 24.925 45.967 1.00 0.00 H new ATOM 724 N GLU A 48 24.652 25.668 42.552 1.00 0.00 N ATOM 725 CA GLU A 48 24.883 25.153 41.207 1.00 0.00 C ATOM 726 C GLU A 48 26.377 25.046 40.916 1.00 0.00 C ATOM 727 O GLU A 48 26.804 24.234 40.094 1.00 0.00 O ATOM 728 CB GLU A 48 24.214 26.057 40.170 1.00 0.00 C ATOM 729 CG GLU A 48 22.726 25.796 40.005 1.00 0.00 C ATOM 730 CD GLU A 48 21.970 25.883 41.317 1.00 0.00 C ATOM 731 OE1 GLU A 48 22.002 26.958 41.951 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.347 24.874 41.710 1.00 0.00 O ATOM 0 H GLU A 48 24.602 26.685 42.612 1.00 0.00 H new ATOM 0 HA GLU A 48 24.446 24.156 41.146 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.362 27.098 40.458 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.707 25.919 39.208 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.310 26.517 39.302 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.580 24.807 39.571 1.00 0.00 H new ATOM 739 N PHE A 49 27.168 25.871 41.594 1.00 0.00 N ATOM 740 CA PHE A 49 28.614 25.870 41.407 1.00 0.00 C ATOM 741 C PHE A 49 29.185 24.467 41.588 1.00 0.00 C ATOM 742 O PHE A 49 28.984 23.831 42.623 1.00 0.00 O ATOM 743 CB PHE A 49 29.277 26.834 42.393 1.00 0.00 C ATOM 744 CG PHE A 49 30.769 26.918 42.239 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.331 27.621 41.186 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.608 26.292 43.146 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.704 27.700 41.041 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.981 26.367 43.007 1.00 0.00 C ATOM 749 CZ PHE A 49 33.530 27.072 41.952 1.00 0.00 C ATOM 0 H PHE A 49 26.832 26.549 42.278 1.00 0.00 H new ATOM 0 HA PHE A 49 28.824 26.200 40.390 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.850 27.828 42.260 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.042 26.519 43.410 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.689 28.113 40.470 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.184 25.739 43.971 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.130 28.252 40.216 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.624 25.875 43.722 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.603 27.131 41.841 1.00 0.00 H new ATOM 759 N LYS A 50 29.898 23.990 40.574 1.00 0.00 N ATOM 760 CA LYS A 50 30.501 22.663 40.619 1.00 0.00 C ATOM 761 C LYS A 50 32.019 22.757 40.729 1.00 0.00 C ATOM 762 O LYS A 50 32.735 22.585 39.744 1.00 0.00 O ATOM 763 CB LYS A 50 30.118 21.864 39.370 1.00 0.00 C ATOM 764 CG LYS A 50 28.639 21.935 39.033 1.00 0.00 C ATOM 765 CD LYS A 50 27.785 21.338 40.139 1.00 0.00 C ATOM 766 CE LYS A 50 28.072 19.857 40.327 1.00 0.00 C ATOM 767 NZ LYS A 50 27.025 19.188 41.148 1.00 0.00 N ATOM 0 H LYS A 50 30.073 24.503 39.710 1.00 0.00 H new ATOM 0 HA LYS A 50 30.122 22.150 41.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.694 22.234 38.522 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.399 20.821 39.516 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.351 22.974 38.871 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.452 21.403 38.100 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.975 21.868 41.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.730 21.478 39.902 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.134 19.373 39.352 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.043 19.733 40.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.258 18.180 41.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.983 19.633 42.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.102 19.283 40.678 1.00 0.00 H new ATOM 781 N GLY A 51 32.504 23.031 41.937 1.00 0.00 N ATOM 782 CA GLY A 51 33.935 23.143 42.153 1.00 0.00 C ATOM 783 C GLY A 51 34.295 23.208 43.624 1.00 0.00 C ATOM 784 O GLY A 51 33.422 23.123 44.488 1.00 0.00 O ATOM 0 H GLY A 51 31.932 23.177 42.769 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.436 22.289 41.697 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.306 24.036 41.651 1.00 0.00 H new ATOM 788 N ASP A 52 35.584 23.359 43.910 1.00 0.00 N ATOM 789 CA ASP A 52 36.058 23.435 45.287 1.00 0.00 C ATOM 790 C ASP A 52 35.760 24.805 45.889 1.00 0.00 C ATOM 791 O ASP A 52 36.503 25.764 45.675 1.00 0.00 O ATOM 792 CB ASP A 52 37.560 23.153 45.348 1.00 0.00 C ATOM 793 CG ASP A 52 37.929 21.838 44.689 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.153 21.833 43.461 1.00 0.00 O ATOM 795 OD2 ASP A 52 37.994 20.815 45.402 1.00 0.00 O ATOM 0 H ASP A 52 36.319 23.431 43.206 1.00 0.00 H new ATOM 0 HA ASP A 52 35.531 22.680 45.869 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.099 23.965 44.860 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.882 23.137 46.389 1.00 0.00 H new ATOM 800 N LEU A 53 34.668 24.890 46.642 1.00 0.00 N ATOM 801 CA LEU A 53 34.271 26.143 47.274 1.00 0.00 C ATOM 802 C LEU A 53 35.241 26.521 48.389 1.00 0.00 C ATOM 803 O LEU A 53 35.211 27.642 48.896 1.00 0.00 O ATOM 804 CB LEU A 53 32.853 26.026 47.835 1.00 0.00 C ATOM 805 CG LEU A 53 31.858 27.091 47.372 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.822 26.484 46.438 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.182 27.746 48.568 1.00 0.00 C ATOM 0 H LEU A 53 34.043 24.106 46.829 1.00 0.00 H new ATOM 0 HA LEU A 53 34.293 26.927 46.517 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.457 25.046 47.567 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.910 26.059 48.923 1.00 0.00 H new ATOM 0 HG LEU A 53 32.405 27.858 46.825 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.123 27.257 46.119 1.00 0.00 H new ATOM 0 HD12 LEU A 53 31.321 26.063 45.565 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.279 25.696 46.960 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.477 28.501 48.219 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.648 26.990 49.143 1.00 0.00 H new ATOM 0 HD23 LEU A 53 31.936 28.217 49.199 1.00 0.00 H new ATOM 819 N GLU A 54 36.102 25.580 48.762 1.00 0.00 N ATOM 820 CA GLU A 54 37.082 25.817 49.816 1.00 0.00 C ATOM 821 C GLU A 54 38.248 26.653 49.296 1.00 0.00 C ATOM 822 O GLU A 54 38.779 27.508 50.006 1.00 0.00 O ATOM 823 CB GLU A 54 37.600 24.488 50.369 1.00 0.00 C ATOM 824 CG GLU A 54 38.218 23.588 49.312 1.00 0.00 C ATOM 825 CD GLU A 54 38.741 22.286 49.887 1.00 0.00 C ATOM 826 OE1 GLU A 54 39.807 22.311 50.536 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.084 21.243 49.688 1.00 0.00 O ATOM 0 H GLU A 54 36.141 24.647 48.351 1.00 0.00 H new ATOM 0 HA GLU A 54 36.590 26.369 50.617 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.342 24.690 51.141 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.777 23.958 50.849 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.474 23.370 48.546 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.034 24.118 48.821 1.00 0.00 H new ATOM 834 N THR A 55 38.642 26.400 48.052 1.00 0.00 N ATOM 835 CA THR A 55 39.745 27.127 47.437 1.00 0.00 C ATOM 836 C THR A 55 39.335 27.713 46.090 1.00 0.00 C ATOM 837 O THR A 55 39.506 27.079 45.048 1.00 0.00 O ATOM 838 CB THR A 55 40.974 26.220 47.236 1.00 0.00 C ATOM 839 OG1 THR A 55 40.649 25.146 46.347 1.00 0.00 O ATOM 840 CG2 THR A 55 41.453 25.657 48.566 1.00 0.00 C ATOM 0 H THR A 55 38.213 25.697 47.450 1.00 0.00 H new ATOM 0 HA THR A 55 40.007 27.937 48.118 1.00 0.00 H new ATOM 0 HB THR A 55 41.775 26.820 46.803 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.158 25.497 45.575 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.321 25.020 48.400 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.726 26.476 49.231 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.655 25.071 49.022 1.00 0.00 H new ATOM 848 N LEU A 56 38.794 28.926 46.118 1.00 0.00 N ATOM 849 CA LEU A 56 38.360 29.598 44.898 1.00 0.00 C ATOM 850 C LEU A 56 38.968 30.993 44.800 1.00 0.00 C ATOM 851 O LEU A 56 39.347 31.440 43.717 1.00 0.00 O ATOM 852 CB LEU A 56 36.834 29.691 44.859 1.00 0.00 C ATOM 853 CG LEU A 56 36.247 30.689 43.860 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.825 30.457 42.473 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.729 30.586 43.833 1.00 0.00 C ATOM 0 H LEU A 56 38.645 29.464 46.972 1.00 0.00 H new ATOM 0 HA LEU A 56 38.704 29.011 44.047 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.436 28.702 44.631 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.481 29.955 45.856 1.00 0.00 H new ATOM 0 HG LEU A 56 36.516 31.696 44.179 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.396 31.176 41.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.907 30.583 42.504 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.587 29.446 42.144 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.328 31.303 43.117 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.438 29.578 43.538 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.332 30.803 44.825 1.00 0.00 H new ATOM 867 N GLN A 57 39.060 31.675 45.937 1.00 0.00 N ATOM 868 CA GLN A 57 39.624 33.019 45.978 1.00 0.00 C ATOM 869 C GLN A 57 40.979 33.063 45.278 1.00 0.00 C ATOM 870 O GLN A 57 41.660 32.048 45.128 1.00 0.00 O ATOM 871 CB GLN A 57 39.769 33.490 47.426 1.00 0.00 C ATOM 872 CG GLN A 57 40.295 32.417 48.365 1.00 0.00 C ATOM 873 CD GLN A 57 41.397 32.925 49.274 1.00 0.00 C ATOM 874 OE1 GLN A 57 41.186 33.835 50.076 1.00 0.00 O ATOM 875 NE2 GLN A 57 42.582 32.339 49.153 1.00 0.00 N ATOM 0 H GLN A 57 38.751 31.319 46.842 1.00 0.00 H new ATOM 0 HA GLN A 57 38.942 33.688 45.452 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.441 34.348 47.455 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.799 33.833 47.787 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.474 32.038 48.973 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.671 31.579 47.778 1.00 0.00 H new ATOM 0 HE21 GLN A 57 42.713 31.588 48.475 1.00 0.00 H new ATOM 0 HE22 GLN A 57 43.362 32.639 49.738 1.00 0.00 H new ATOM 884 N PRO A 58 41.380 34.265 44.839 1.00 0.00 N ATOM 885 CA PRO A 58 40.577 35.479 45.011 1.00 0.00 C ATOM 886 C PRO A 58 39.322 35.472 44.145 1.00 0.00 C ATOM 887 O PRO A 58 38.224 35.751 44.624 1.00 0.00 O ATOM 888 CB PRO A 58 41.525 36.597 44.570 1.00 0.00 C ATOM 889 CG PRO A 58 42.479 35.937 43.635 1.00 0.00 C ATOM 890 CD PRO A 58 42.648 34.531 44.140 1.00 0.00 C ATOM 0 HA PRO A 58 40.215 35.587 46.034 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.983 37.405 44.078 1.00 0.00 H new ATOM 0 HB3 PRO A 58 42.045 37.035 45.422 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.093 35.942 42.616 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.434 36.462 43.616 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.812 33.828 43.324 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.503 34.445 44.811 1.00 0.00 H new ATOM 898 N GLY A 59 39.494 35.152 42.866 1.00 0.00 N ATOM 899 CA GLY A 59 38.366 35.115 41.953 1.00 0.00 C ATOM 900 C GLY A 59 38.658 34.308 40.703 1.00 0.00 C ATOM 901 O GLY A 59 38.699 34.852 39.600 1.00 0.00 O ATOM 0 H GLY A 59 40.394 34.918 42.446 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.503 34.688 42.464 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.098 36.133 41.670 1.00 0.00 H new ATOM 905 N ASP A 60 38.863 33.006 40.876 1.00 0.00 N ATOM 906 CA ASP A 60 39.153 32.123 39.753 1.00 0.00 C ATOM 907 C ASP A 60 38.076 32.237 38.678 1.00 0.00 C ATOM 908 O ASP A 60 36.885 32.302 38.983 1.00 0.00 O ATOM 909 CB ASP A 60 39.261 30.674 40.231 1.00 0.00 C ATOM 910 CG ASP A 60 40.529 29.997 39.746 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.029 30.377 38.667 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.021 29.089 40.447 1.00 0.00 O ATOM 0 H ASP A 60 38.834 32.540 41.783 1.00 0.00 H new ATOM 0 HA ASP A 60 40.106 32.428 39.321 1.00 0.00 H new ATOM 0 HB2 ASP A 60 39.234 30.651 41.320 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.395 30.113 39.879 1.00 0.00 H new ATOM 917 N ASP A 61 38.503 32.264 37.421 1.00 0.00 N ATOM 918 CA ASP A 61 37.576 32.371 36.300 1.00 0.00 C ATOM 919 C ASP A 61 36.508 31.284 36.373 1.00 0.00 C ATOM 920 O ASP A 61 36.795 30.140 36.724 1.00 0.00 O ATOM 921 CB ASP A 61 38.331 32.273 34.974 1.00 0.00 C ATOM 922 CG ASP A 61 39.450 33.290 34.869 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.442 34.265 35.650 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.335 33.111 34.006 1.00 0.00 O ATOM 0 H ASP A 61 39.486 32.213 37.152 1.00 0.00 H new ATOM 0 HA ASP A 61 37.085 33.343 36.358 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.744 31.270 34.868 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.633 32.419 34.150 1.00 0.00 H new ATOM 929 N VAL A 62 35.274 31.650 36.040 1.00 0.00 N ATOM 930 CA VAL A 62 34.163 30.707 36.067 1.00 0.00 C ATOM 931 C VAL A 62 33.280 30.862 34.834 1.00 0.00 C ATOM 932 O VAL A 62 33.207 31.938 34.242 1.00 0.00 O ATOM 933 CB VAL A 62 33.300 30.892 37.329 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.064 30.451 38.568 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.850 32.340 37.458 1.00 0.00 C ATOM 0 H VAL A 62 35.019 32.594 35.748 1.00 0.00 H new ATOM 0 HA VAL A 62 34.597 29.707 36.076 1.00 0.00 H new ATOM 0 HB VAL A 62 32.413 30.266 37.237 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.438 30.589 39.450 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.332 29.399 38.475 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.970 31.049 38.669 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.241 32.453 38.355 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.724 32.988 37.528 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.262 32.618 36.583 1.00 0.00 H new ATOM 945 N GLU A 63 32.611 29.779 34.452 1.00 0.00 N ATOM 946 CA GLU A 63 31.732 29.795 33.288 1.00 0.00 C ATOM 947 C GLU A 63 30.273 29.637 33.706 1.00 0.00 C ATOM 948 O GLU A 63 29.978 29.187 34.813 1.00 0.00 O ATOM 949 CB GLU A 63 32.119 28.680 32.314 1.00 0.00 C ATOM 950 CG GLU A 63 31.648 28.926 30.891 1.00 0.00 C ATOM 951 CD GLU A 63 32.644 28.442 29.855 1.00 0.00 C ATOM 952 OE1 GLU A 63 32.675 27.223 29.586 1.00 0.00 O ATOM 953 OE2 GLU A 63 33.392 29.282 29.313 1.00 0.00 O ATOM 0 H GLU A 63 32.661 28.880 34.931 1.00 0.00 H new ATOM 0 HA GLU A 63 31.847 30.758 32.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.203 28.568 32.315 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.701 27.738 32.669 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.694 28.422 30.736 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.472 29.992 30.750 1.00 0.00 H new ATOM 960 N PHE A 64 29.364 30.010 32.811 1.00 0.00 N ATOM 961 CA PHE A 64 27.935 29.912 33.086 1.00 0.00 C ATOM 962 C PHE A 64 27.121 30.105 31.810 1.00 0.00 C ATOM 963 O PHE A 64 27.626 30.613 30.808 1.00 0.00 O ATOM 964 CB PHE A 64 27.522 30.952 34.130 1.00 0.00 C ATOM 965 CG PHE A 64 27.847 32.363 33.731 1.00 0.00 C ATOM 966 CD1 PHE A 64 29.133 32.859 33.875 1.00 0.00 C ATOM 967 CD2 PHE A 64 26.867 33.193 33.212 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.434 34.158 33.510 1.00 0.00 C ATOM 969 CE2 PHE A 64 27.162 34.493 32.844 1.00 0.00 C ATOM 970 CZ PHE A 64 28.447 34.975 32.992 1.00 0.00 C ATOM 0 H PHE A 64 29.591 30.383 31.889 1.00 0.00 H new ATOM 0 HA PHE A 64 27.734 28.915 33.477 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.450 30.871 34.308 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.019 30.726 35.073 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.909 32.224 34.277 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.860 32.820 33.093 1.00 0.00 H new ATOM 0 HE1 PHE A 64 30.439 34.534 33.630 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.388 35.130 32.441 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.681 35.989 32.703 1.00 0.00 H new ATOM 980 N THR A 65 25.857 29.694 31.854 1.00 0.00 N ATOM 981 CA THR A 65 24.973 29.819 30.702 1.00 0.00 C ATOM 982 C THR A 65 23.641 30.447 31.097 1.00 0.00 C ATOM 983 O THR A 65 22.803 29.801 31.727 1.00 0.00 O ATOM 984 CB THR A 65 24.709 28.451 30.046 1.00 0.00 C ATOM 985 OG1 THR A 65 25.949 27.789 29.776 1.00 0.00 O ATOM 986 CG2 THR A 65 23.923 28.614 28.753 1.00 0.00 C ATOM 0 H THR A 65 25.423 29.272 32.675 1.00 0.00 H new ATOM 0 HA THR A 65 25.478 30.466 29.984 1.00 0.00 H new ATOM 0 HB THR A 65 24.120 27.849 30.738 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.772 26.919 29.361 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.748 27.635 28.307 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.967 29.091 28.966 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.490 29.233 28.058 1.00 0.00 H new ATOM 994 N ILE A 66 23.452 31.708 30.722 1.00 0.00 N ATOM 995 CA ILE A 66 22.220 32.421 31.037 1.00 0.00 C ATOM 996 C ILE A 66 21.043 31.858 30.248 1.00 0.00 C ATOM 997 O ILE A 66 21.128 31.667 29.035 1.00 0.00 O ATOM 998 CB ILE A 66 22.350 33.927 30.740 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.592 34.499 31.427 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.100 34.665 31.192 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.719 34.817 30.470 1.00 0.00 C ATOM 0 H ILE A 66 24.136 32.256 30.200 1.00 0.00 H new ATOM 0 HA ILE A 66 22.039 32.284 32.103 1.00 0.00 H new ATOM 0 HB ILE A 66 22.459 34.063 29.664 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.315 35.406 31.964 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.948 33.785 32.170 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.207 35.728 30.976 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.233 34.272 30.661 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.963 34.525 32.264 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.566 35.218 31.026 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.023 33.908 29.951 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.381 35.554 29.742 1.00 0.00 H new ATOM 1013 N LYS A 67 19.942 31.596 30.945 1.00 0.00 N ATOM 1014 CA LYS A 67 18.744 31.059 30.310 1.00 0.00 C ATOM 1015 C LYS A 67 17.572 32.024 30.455 1.00 0.00 C ATOM 1016 O LYS A 67 17.703 33.087 31.062 1.00 0.00 O ATOM 1017 CB LYS A 67 18.382 29.704 30.923 1.00 0.00 C ATOM 1018 CG LYS A 67 19.529 28.708 30.919 1.00 0.00 C ATOM 1019 CD LYS A 67 19.971 28.373 29.504 1.00 0.00 C ATOM 1020 CE LYS A 67 20.312 26.898 29.362 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.991 26.383 28.002 1.00 0.00 N ATOM 0 H LYS A 67 19.855 31.747 31.950 1.00 0.00 H new ATOM 0 HA LYS A 67 18.953 30.927 29.248 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.048 29.857 31.949 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.541 29.279 30.374 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.371 29.119 31.477 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.222 27.796 31.431 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.178 28.634 28.803 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.840 28.976 29.241 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.372 26.749 29.566 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.761 26.324 30.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.238 25.374 27.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.975 26.502 27.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.536 26.913 27.292 1.00 0.00 H new ATOM 1129 N VAL A 74 19.912 35.187 35.870 1.00 0.00 N ATOM 1130 CA VAL A 74 20.758 34.422 36.778 1.00 0.00 C ATOM 1131 C VAL A 74 21.449 33.275 36.049 1.00 0.00 C ATOM 1132 O VAL A 74 20.894 32.693 35.117 1.00 0.00 O ATOM 1133 CB VAL A 74 19.945 33.851 37.955 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.447 34.973 38.854 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.784 33.012 37.443 1.00 0.00 C ATOM 0 HA VAL A 74 21.510 35.109 37.165 1.00 0.00 H new ATOM 0 HB VAL A 74 20.596 33.207 38.545 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.875 34.551 39.680 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.298 35.528 39.249 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.811 35.645 38.278 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.220 32.616 38.288 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.130 33.632 36.829 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.168 32.186 36.845 1.00 0.00 H new ATOM 1145 N ALA A 75 22.665 32.954 36.480 1.00 0.00 N ATOM 1146 CA ALA A 75 23.432 31.875 35.871 1.00 0.00 C ATOM 1147 C ALA A 75 23.058 30.526 36.476 1.00 0.00 C ATOM 1148 O ALA A 75 22.813 30.419 37.678 1.00 0.00 O ATOM 1149 CB ALA A 75 24.923 32.132 36.030 1.00 0.00 C ATOM 0 H ALA A 75 23.140 33.427 37.249 1.00 0.00 H new ATOM 0 HA ALA A 75 23.191 31.846 34.808 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.484 31.318 35.570 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.184 33.072 35.544 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.171 32.190 37.090 1.00 0.00 H new ATOM 1155 N THR A 76 23.015 29.497 35.636 1.00 0.00 N ATOM 1156 CA THR A 76 22.669 28.155 36.087 1.00 0.00 C ATOM 1157 C THR A 76 23.802 27.174 35.812 1.00 0.00 C ATOM 1158 O THR A 76 24.425 27.212 34.751 1.00 0.00 O ATOM 1159 CB THR A 76 21.386 27.646 35.404 1.00 0.00 C ATOM 1160 OG1 THR A 76 21.011 28.531 34.343 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.246 27.536 36.405 1.00 0.00 C ATOM 0 H THR A 76 23.216 29.568 34.638 1.00 0.00 H new ATOM 0 HA THR A 76 22.499 28.217 37.162 1.00 0.00 H new ATOM 0 HB THR A 76 21.588 26.655 34.997 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.195 28.199 33.913 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.351 27.175 35.899 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.522 26.839 37.196 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.047 28.516 36.839 1.00 0.00 H new ATOM 1169 N ASP A 77 24.064 26.295 36.773 1.00 0.00 N ATOM 1170 CA ASP A 77 25.121 25.301 36.634 1.00 0.00 C ATOM 1171 C ASP A 77 26.454 25.968 36.309 1.00 0.00 C ATOM 1172 O ASP A 77 26.904 25.955 35.163 1.00 0.00 O ATOM 1173 CB ASP A 77 24.762 24.293 35.541 1.00 0.00 C ATOM 1174 CG ASP A 77 24.060 23.067 36.093 1.00 0.00 C ATOM 1175 OD1 ASP A 77 24.450 22.601 37.184 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.121 22.575 35.434 1.00 0.00 O ATOM 0 H ASP A 77 23.558 26.251 37.658 1.00 0.00 H new ATOM 0 HA ASP A 77 25.219 24.776 37.584 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.120 24.774 34.803 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.670 23.986 35.022 1.00 0.00 H new ATOM 1181 N VAL A 78 27.082 26.551 37.325 1.00 0.00 N ATOM 1182 CA VAL A 78 28.363 27.224 37.148 1.00 0.00 C ATOM 1183 C VAL A 78 29.515 26.225 37.166 1.00 0.00 C ATOM 1184 O VAL A 78 29.559 25.328 38.008 1.00 0.00 O ATOM 1185 CB VAL A 78 28.598 28.281 38.243 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.963 28.931 38.074 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.494 29.328 38.218 1.00 0.00 C ATOM 0 H VAL A 78 26.724 26.571 38.280 1.00 0.00 H new ATOM 0 HA VAL A 78 28.329 27.719 36.177 1.00 0.00 H new ATOM 0 HB VAL A 78 28.576 27.785 39.213 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.111 29.675 38.857 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.740 28.170 38.145 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.017 29.415 37.099 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.676 30.067 38.998 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.483 29.822 37.246 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.532 28.846 38.392 1.00 0.00 H new ATOM 1197 N ARG A 79 30.446 26.387 36.232 1.00 0.00 N ATOM 1198 CA ARG A 79 31.598 25.499 36.139 1.00 0.00 C ATOM 1199 C ARG A 79 32.898 26.298 36.095 1.00 0.00 C ATOM 1200 O ARG A 79 33.064 27.188 35.260 1.00 0.00 O ATOM 1201 CB ARG A 79 31.489 24.614 34.897 1.00 0.00 C ATOM 1202 CG ARG A 79 30.780 23.293 35.151 1.00 0.00 C ATOM 1203 CD ARG A 79 29.766 22.987 34.060 1.00 0.00 C ATOM 1204 NE ARG A 79 29.441 21.564 33.999 1.00 0.00 N ATOM 1205 CZ ARG A 79 28.835 20.992 32.964 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.491 21.718 31.909 1.00 0.00 N ATOM 1207 NH2 ARG A 79 28.573 19.692 32.983 1.00 0.00 N ATOM 0 H ARG A 79 30.425 27.125 35.529 1.00 0.00 H new ATOM 0 HA ARG A 79 31.610 24.867 37.027 1.00 0.00 H new ATOM 0 HB2 ARG A 79 30.956 25.159 34.118 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.490 24.412 34.516 1.00 0.00 H new ATOM 0 HG2 ARG A 79 31.514 22.489 35.203 1.00 0.00 H new ATOM 0 HG3 ARG A 79 30.277 23.329 36.117 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.856 23.559 34.240 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.161 23.310 33.097 1.00 0.00 H new ATOM 0 HE ARG A 79 29.693 20.977 34.794 1.00 0.00 H new ATOM 0 HH11 ARG A 79 28.692 22.718 31.891 1.00 0.00 H new ATOM 0 HH12 ARG A 79 28.026 21.276 31.116 1.00 0.00 H new ATOM 0 HH21 ARG A 79 28.837 19.130 33.793 1.00 0.00 H new ATOM 0 HH22 ARG A 79 28.108 19.254 32.188 1.00 0.00 H new ATOM 1221 N LEU A 80 33.816 25.975 36.999 1.00 0.00 N ATOM 1222 CA LEU A 80 35.101 26.662 37.064 1.00 0.00 C ATOM 1223 C LEU A 80 35.821 26.599 35.720 1.00 0.00 C ATOM 1224 O LEU A 80 35.654 25.645 34.958 1.00 0.00 O ATOM 1225 CB LEU A 80 35.978 26.044 38.154 1.00 0.00 C ATOM 1226 CG LEU A 80 36.133 26.864 39.435 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.968 26.106 40.456 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.760 28.217 39.130 1.00 0.00 C ATOM 0 H LEU A 80 33.694 25.242 37.697 1.00 0.00 H new ATOM 0 HA LEU A 80 34.914 27.708 37.307 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.564 25.071 38.417 1.00 0.00 H new ATOM 0 HB3 LEU A 80 36.970 25.867 37.738 1.00 0.00 H new ATOM 0 HG LEU A 80 35.143 27.032 39.858 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.068 26.705 41.361 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.479 25.162 40.697 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.956 25.907 40.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.863 28.787 40.053 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.743 28.070 38.683 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.124 28.764 38.435 1.00 0.00 H new ATOM 1240 N LEU A 81 36.623 27.619 35.436 1.00 0.00 N ATOM 1241 CA LEU A 81 37.371 27.678 34.185 1.00 0.00 C ATOM 1242 C LEU A 81 38.810 27.213 34.388 1.00 0.00 C ATOM 1243 O LEU A 81 39.336 27.210 35.501 1.00 0.00 O ATOM 1244 CB LEU A 81 37.357 29.103 33.628 1.00 0.00 C ATOM 1245 CG LEU A 81 36.121 29.495 32.818 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.158 30.975 32.469 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.020 28.650 31.556 1.00 0.00 C ATOM 0 H LEU A 81 36.772 28.416 36.055 1.00 0.00 H new ATOM 0 HA LEU A 81 36.891 27.010 33.470 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.456 29.798 34.461 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.236 29.234 32.997 1.00 0.00 H new ATOM 0 HG LEU A 81 35.237 29.309 33.428 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.270 31.235 31.893 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.181 31.564 33.386 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.049 31.187 31.878 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.134 28.943 30.992 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.908 28.804 30.943 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.945 27.597 31.828 1.00 0.00 H new ATOM 1259 N PRO A 82 39.463 26.813 33.287 1.00 0.00 N ATOM 1260 CA PRO A 82 40.851 26.341 33.318 1.00 0.00 C ATOM 1261 C PRO A 82 41.838 27.464 33.614 1.00 0.00 C ATOM 1262 O PRO A 82 41.526 28.641 33.432 1.00 0.00 O ATOM 1263 CB PRO A 82 41.071 25.794 31.905 1.00 0.00 C ATOM 1264 CG PRO A 82 40.096 26.535 31.056 1.00 0.00 C ATOM 1265 CD PRO A 82 38.898 26.790 31.928 1.00 0.00 C ATOM 0 HA PRO A 82 41.014 25.605 34.105 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.095 25.962 31.571 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.894 24.719 31.865 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.524 27.471 30.697 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.822 25.952 30.177 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.413 27.734 31.679 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.147 26.007 31.818 1.00 0.00 H new