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 -151:sc= -1.08 (180deg=0) USER MOD Set 1.2: A 46 TYR OH : rot 63:sc= 0.231 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0679 X(o=-0.068,f=-0.55) 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=-0.21) 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 64:sc= -0.0519 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 28.685 32.095 28.336 1.00 0.00 N ATOM 272 CA CYS A 19 29.422 33.298 28.708 1.00 0.00 C ATOM 273 C CYS A 19 30.242 33.063 29.972 1.00 0.00 C ATOM 274 O CYS A 19 29.760 32.462 30.932 1.00 0.00 O ATOM 275 CB CYS A 19 28.459 34.467 28.919 1.00 0.00 C ATOM 276 SG CYS A 19 28.254 35.526 27.468 1.00 0.00 S ATOM 0 HA CYS A 19 30.105 33.543 27.894 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.485 34.073 29.209 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.818 35.074 29.750 1.00 0.00 H new ATOM 0 HG CYS A 19 27.420 36.484 27.744 1.00 0.00 H new ATOM 282 N GLN A 20 31.482 33.541 29.964 1.00 0.00 N ATOM 283 CA GLN A 20 32.369 33.381 31.111 1.00 0.00 C ATOM 284 C GLN A 20 32.835 34.736 31.632 1.00 0.00 C ATOM 285 O GLN A 20 32.665 35.759 30.969 1.00 0.00 O ATOM 286 CB GLN A 20 33.578 32.524 30.731 1.00 0.00 C ATOM 287 CG GLN A 20 34.382 33.087 29.570 1.00 0.00 C ATOM 288 CD GLN A 20 34.289 32.228 28.324 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.263 31.597 28.067 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.362 32.198 27.543 1.00 0.00 N ATOM 0 H GLN A 20 31.895 34.042 29.177 1.00 0.00 H new ATOM 0 HA GLN A 20 31.812 32.880 31.903 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.230 32.425 31.599 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.236 31.522 30.473 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.027 34.092 29.341 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.427 33.178 29.867 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.191 32.737 27.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 35.357 31.636 26.692 1.00 0.00 H new ATOM 299 N GLY A 21 33.423 34.736 32.824 1.00 0.00 N ATOM 300 CA GLY A 21 33.904 35.972 33.415 1.00 0.00 C ATOM 301 C GLY A 21 34.813 35.731 34.603 1.00 0.00 C ATOM 302 O GLY A 21 35.583 34.771 34.621 1.00 0.00 O ATOM 0 H GLY A 21 33.575 33.902 33.392 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.442 36.547 32.661 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.053 36.576 33.729 1.00 0.00 H new ATOM 306 N VAL A 22 34.725 36.606 35.600 1.00 0.00 N ATOM 307 CA VAL A 22 35.547 36.485 36.798 1.00 0.00 C ATOM 308 C VAL A 22 34.746 36.823 38.051 1.00 0.00 C ATOM 309 O VAL A 22 34.034 37.827 38.094 1.00 0.00 O ATOM 310 CB VAL A 22 36.781 37.404 36.728 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.618 37.272 37.992 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.611 37.086 35.494 1.00 0.00 C ATOM 0 H VAL A 22 34.093 37.406 35.602 1.00 0.00 H new ATOM 0 HA VAL A 22 35.878 35.448 36.850 1.00 0.00 H new ATOM 0 HB VAL A 22 36.440 38.437 36.653 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.485 37.929 37.924 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.017 37.553 38.857 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.952 36.240 38.101 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.479 37.744 35.460 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.944 36.049 35.537 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.006 37.237 34.600 1.00 0.00 H new ATOM 322 N VAL A 23 34.867 35.978 39.070 1.00 0.00 N ATOM 323 CA VAL A 23 34.155 36.187 40.325 1.00 0.00 C ATOM 324 C VAL A 23 34.574 37.498 40.982 1.00 0.00 C ATOM 325 O VAL A 23 35.647 37.590 41.579 1.00 0.00 O ATOM 326 CB VAL A 23 34.402 35.030 41.310 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.585 35.224 42.579 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.077 33.695 40.656 1.00 0.00 C ATOM 0 H VAL A 23 35.451 35.142 39.051 1.00 0.00 H new ATOM 0 HA VAL A 23 33.093 36.228 40.084 1.00 0.00 H new ATOM 0 HB VAL A 23 35.457 35.028 41.583 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.773 34.396 43.263 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.871 36.161 43.056 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.525 35.254 42.328 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.257 32.888 41.367 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.030 33.684 40.352 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.710 33.555 39.780 1.00 0.00 H new ATOM 338 N CYS A 24 33.720 38.509 40.869 1.00 0.00 N ATOM 339 CA CYS A 24 34.001 39.816 41.452 1.00 0.00 C ATOM 340 C CYS A 24 33.460 39.904 42.876 1.00 0.00 C ATOM 341 O CYS A 24 33.990 40.641 43.707 1.00 0.00 O ATOM 342 CB CYS A 24 33.391 40.924 40.592 1.00 0.00 C ATOM 343 SG CYS A 24 34.185 42.536 40.793 1.00 0.00 S ATOM 0 H CYS A 24 32.827 38.449 40.379 1.00 0.00 H new ATOM 0 HA CYS A 24 35.083 39.946 41.485 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.450 40.630 39.544 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.333 41.019 40.837 1.00 0.00 H new ATOM 0 HG CYS A 24 33.601 43.406 40.024 1.00 0.00 H new ATOM 349 N ALA A 25 32.401 39.150 43.148 1.00 0.00 N ATOM 350 CA ALA A 25 31.788 39.142 44.471 1.00 0.00 C ATOM 351 C ALA A 25 32.131 37.864 45.228 1.00 0.00 C ATOM 352 O ALA A 25 32.183 36.781 44.645 1.00 0.00 O ATOM 353 CB ALA A 25 30.279 39.300 44.354 1.00 0.00 C ATOM 0 H ALA A 25 31.949 38.536 42.470 1.00 0.00 H new ATOM 0 HA ALA A 25 32.188 39.985 45.035 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.834 39.292 45.349 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.049 40.245 43.861 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.871 38.476 43.768 1.00 0.00 H new ATOM 359 N MET A 26 32.365 37.997 46.529 1.00 0.00 N ATOM 360 CA MET A 26 32.703 36.851 47.365 1.00 0.00 C ATOM 361 C MET A 26 31.834 36.818 48.619 1.00 0.00 C ATOM 362 O MET A 26 32.000 37.635 49.524 1.00 0.00 O ATOM 363 CB MET A 26 34.181 36.896 47.757 1.00 0.00 C ATOM 364 CG MET A 26 35.062 35.991 46.911 1.00 0.00 C ATOM 365 SD MET A 26 35.760 34.622 47.855 1.00 0.00 S ATOM 366 CE MET A 26 34.800 33.250 47.220 1.00 0.00 C ATOM 0 H MET A 26 32.327 38.886 47.027 1.00 0.00 H new ATOM 0 HA MET A 26 32.515 35.945 46.789 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.540 37.922 47.672 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.280 36.610 48.804 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.478 35.594 46.081 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.871 36.579 46.479 1.00 0.00 H new ATOM 0 HE1 MET A 26 34.712 32.482 47.988 1.00 0.00 H new ATOM 0 HE2 MET A 26 33.806 33.600 46.941 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.297 32.832 46.344 1.00 0.00 H new ATOM 376 N LYS A 27 30.906 35.867 48.665 1.00 0.00 N ATOM 377 CA LYS A 27 30.011 35.726 49.807 1.00 0.00 C ATOM 378 C LYS A 27 29.866 34.261 50.207 1.00 0.00 C ATOM 379 O LYS A 27 30.274 33.365 49.470 1.00 0.00 O ATOM 380 CB LYS A 27 28.636 36.315 49.480 1.00 0.00 C ATOM 381 CG LYS A 27 28.032 37.117 50.619 1.00 0.00 C ATOM 382 CD LYS A 27 27.022 38.132 50.111 1.00 0.00 C ATOM 383 CE LYS A 27 26.639 39.128 51.195 1.00 0.00 C ATOM 384 NZ LYS A 27 26.985 40.525 50.812 1.00 0.00 N ATOM 0 H LYS A 27 30.755 35.183 47.924 1.00 0.00 H new ATOM 0 HA LYS A 27 30.443 36.272 50.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.724 36.955 48.602 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.956 35.505 49.217 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.547 36.442 51.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.824 37.631 51.163 1.00 0.00 H new ATOM 0 HD2 LYS A 27 27.439 38.665 49.256 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.130 37.614 49.759 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.569 39.059 51.390 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.149 38.869 52.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.708 41.173 51.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.010 40.597 50.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.479 40.782 49.941 1.00 0.00 H new ATOM 398 N GLU A 28 29.281 34.027 51.377 1.00 0.00 N ATOM 399 CA GLU A 28 29.082 32.670 51.873 1.00 0.00 C ATOM 400 C GLU A 28 27.663 32.189 51.587 1.00 0.00 C ATOM 401 O GLU A 28 26.998 31.630 52.459 1.00 0.00 O ATOM 402 CB GLU A 28 29.361 32.607 53.377 1.00 0.00 C ATOM 403 CG GLU A 28 30.840 32.624 53.723 1.00 0.00 C ATOM 404 CD GLU A 28 31.223 31.530 54.700 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.824 31.624 55.880 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.922 30.582 54.286 1.00 0.00 O ATOM 0 H GLU A 28 28.937 34.759 51.999 1.00 0.00 H new ATOM 0 HA GLU A 28 29.781 32.014 51.353 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.873 33.451 53.864 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.912 31.701 53.784 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.424 32.511 52.810 1.00 0.00 H new ATOM 0 HG3 GLU A 28 31.099 33.593 54.149 1.00 0.00 H new ATOM 413 N ALA A 29 27.205 32.411 50.360 1.00 0.00 N ATOM 414 CA ALA A 29 25.866 31.999 49.957 1.00 0.00 C ATOM 415 C ALA A 29 25.661 32.188 48.458 1.00 0.00 C ATOM 416 O ALA A 29 25.186 31.286 47.768 1.00 0.00 O ATOM 417 CB ALA A 29 24.818 32.778 50.738 1.00 0.00 C ATOM 0 H ALA A 29 27.742 32.874 49.627 1.00 0.00 H new ATOM 0 HA ALA A 29 25.756 30.938 50.180 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.823 32.461 50.427 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.943 32.588 51.804 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.936 33.844 50.543 1.00 0.00 H new ATOM 423 N PHE A 30 26.021 33.366 47.960 1.00 0.00 N ATOM 424 CA PHE A 30 25.874 33.674 46.542 1.00 0.00 C ATOM 425 C PHE A 30 26.866 34.751 46.114 1.00 0.00 C ATOM 426 O PHE A 30 27.508 35.387 46.949 1.00 0.00 O ATOM 427 CB PHE A 30 24.445 34.132 46.243 1.00 0.00 C ATOM 428 CG PHE A 30 23.946 35.191 47.184 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.506 36.458 47.183 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.916 34.919 48.071 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.049 37.434 48.049 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.455 35.891 48.939 1.00 0.00 C ATOM 433 CZ PHE A 30 23.021 37.150 48.927 1.00 0.00 C ATOM 0 H PHE A 30 26.417 34.123 48.517 1.00 0.00 H new ATOM 0 HA PHE A 30 26.083 32.767 45.975 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.400 34.513 45.223 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.778 33.271 46.291 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.309 36.686 46.498 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.468 33.936 48.084 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.495 38.417 48.039 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.653 35.666 49.626 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.661 37.912 49.603 1.00 0.00 H new ATOM 443 N GLY A 31 26.986 34.950 44.805 1.00 0.00 N ATOM 444 CA GLY A 31 27.902 35.950 44.288 1.00 0.00 C ATOM 445 C GLY A 31 27.599 36.325 42.851 1.00 0.00 C ATOM 446 O GLY A 31 26.652 35.813 42.254 1.00 0.00 O ATOM 0 H GLY A 31 26.465 34.437 44.094 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.851 36.842 44.912 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.922 35.573 44.355 1.00 0.00 H new ATOM 450 N PHE A 32 28.405 37.223 42.293 1.00 0.00 N ATOM 451 CA PHE A 32 28.217 37.669 40.917 1.00 0.00 C ATOM 452 C PHE A 32 29.475 37.422 40.089 1.00 0.00 C ATOM 453 O PHE A 32 30.522 37.060 40.625 1.00 0.00 O ATOM 454 CB PHE A 32 27.855 39.155 40.885 1.00 0.00 C ATOM 455 CG PHE A 32 26.626 39.490 41.681 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.720 39.806 43.026 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.375 39.488 41.083 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.591 40.114 43.761 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.242 39.795 41.813 1.00 0.00 C ATOM 460 CZ PHE A 32 24.350 40.109 43.153 1.00 0.00 C ATOM 0 H PHE A 32 29.194 37.656 42.772 1.00 0.00 H new ATOM 0 HA PHE A 32 27.399 37.094 40.483 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.695 39.734 41.268 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.703 39.461 39.850 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.687 39.812 43.506 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.285 39.244 40.035 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.678 40.358 44.809 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.273 39.789 41.336 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.466 40.350 43.725 1.00 0.00 H new ATOM 470 N ILE A 33 29.362 37.621 38.780 1.00 0.00 N ATOM 471 CA ILE A 33 30.489 37.421 37.878 1.00 0.00 C ATOM 472 C ILE A 33 30.644 38.600 36.922 1.00 0.00 C ATOM 473 O ILE A 33 29.656 39.171 36.462 1.00 0.00 O ATOM 474 CB ILE A 33 30.332 36.127 37.058 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.133 34.929 37.989 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.545 35.915 36.164 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.712 33.667 37.268 1.00 0.00 C ATOM 0 H ILE A 33 28.502 37.920 38.321 1.00 0.00 H new ATOM 0 HA ILE A 33 31.380 37.341 38.500 1.00 0.00 H new ATOM 0 HB ILE A 33 29.451 36.221 36.424 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.062 34.738 38.526 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.379 35.180 38.735 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.419 34.996 35.591 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.645 36.758 35.480 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.441 35.838 36.779 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.590 32.859 37.990 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.767 33.840 36.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.476 33.391 36.541 1.00 0.00 H new ATOM 489 N GLU A 34 31.890 38.956 36.627 1.00 0.00 N ATOM 490 CA GLU A 34 32.174 40.066 35.725 1.00 0.00 C ATOM 491 C GLU A 34 32.651 39.555 34.368 1.00 0.00 C ATOM 492 O GLU A 34 33.707 38.932 34.264 1.00 0.00 O ATOM 493 CB GLU A 34 33.230 40.990 36.334 1.00 0.00 C ATOM 494 CG GLU A 34 32.680 42.338 36.771 1.00 0.00 C ATOM 495 CD GLU A 34 33.028 43.452 35.803 1.00 0.00 C ATOM 496 OE1 GLU A 34 32.421 43.501 34.712 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.906 44.274 36.137 1.00 0.00 O ATOM 0 H GLU A 34 32.719 38.492 36.999 1.00 0.00 H new ATOM 0 HA GLU A 34 31.251 40.628 35.579 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.681 40.495 37.194 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.024 41.150 35.605 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.596 42.270 36.867 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.072 42.584 37.758 1.00 0.00 H new ATOM 601 N GLU A 41 26.400 41.188 33.793 1.00 0.00 N ATOM 602 CA GLU A 41 26.650 40.307 34.927 1.00 0.00 C ATOM 603 C GLU A 41 25.424 39.451 35.232 1.00 0.00 C ATOM 604 O GLU A 41 24.329 39.719 34.737 1.00 0.00 O ATOM 605 CB GLU A 41 27.034 41.126 36.162 1.00 0.00 C ATOM 606 CG GLU A 41 25.876 41.908 36.758 1.00 0.00 C ATOM 607 CD GLU A 41 26.258 43.330 37.122 1.00 0.00 C ATOM 608 OE1 GLU A 41 27.006 43.508 38.106 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.809 44.263 36.424 1.00 0.00 O ATOM 0 HA GLU A 41 27.477 39.646 34.666 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.438 40.456 36.921 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.830 41.820 35.894 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.051 41.928 36.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.515 41.393 37.649 1.00 0.00 H new ATOM 616 N ILE A 42 25.617 38.422 36.050 1.00 0.00 N ATOM 617 CA ILE A 42 24.528 37.527 36.421 1.00 0.00 C ATOM 618 C ILE A 42 24.659 37.074 37.871 1.00 0.00 C ATOM 619 O ILE A 42 25.705 37.252 38.497 1.00 0.00 O ATOM 620 CB ILE A 42 24.482 36.287 35.509 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.525 35.260 35.956 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.711 36.687 34.060 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.937 35.802 35.972 1.00 0.00 C ATOM 0 H ILE A 42 26.517 38.187 36.468 1.00 0.00 H new ATOM 0 HA ILE A 42 23.602 38.090 36.301 1.00 0.00 H new ATOM 0 HB ILE A 42 23.495 35.832 35.588 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.269 34.905 36.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.483 34.398 35.291 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.676 35.800 33.428 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.935 37.386 33.748 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.687 37.162 33.964 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.623 35.020 36.298 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.212 36.131 34.970 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.995 36.646 36.659 1.00 0.00 H new ATOM 635 N PHE A 43 23.592 36.484 38.400 1.00 0.00 N ATOM 636 CA PHE A 43 23.588 36.003 39.777 1.00 0.00 C ATOM 637 C PHE A 43 23.658 34.480 39.821 1.00 0.00 C ATOM 638 O PHE A 43 22.884 33.792 39.154 1.00 0.00 O ATOM 639 CB PHE A 43 22.333 36.489 40.505 1.00 0.00 C ATOM 640 CG PHE A 43 22.176 35.908 41.881 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.532 34.695 42.066 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.672 36.575 42.990 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.386 34.158 43.331 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.530 36.042 44.257 1.00 0.00 C ATOM 645 CZ PHE A 43 21.885 34.833 44.428 1.00 0.00 C ATOM 0 H PHE A 43 22.719 36.327 37.896 1.00 0.00 H new ATOM 0 HA PHE A 43 24.469 36.404 40.279 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.364 37.576 40.580 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.456 36.235 39.910 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.140 34.163 41.212 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.175 37.522 42.863 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.882 33.212 43.462 1.00 0.00 H new ATOM 0 HE2 PHE A 43 22.923 36.571 45.113 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.771 34.416 45.418 1.00 0.00 H new ATOM 655 N PHE A 44 24.592 33.959 40.610 1.00 0.00 N ATOM 656 CA PHE A 44 24.765 32.517 40.741 1.00 0.00 C ATOM 657 C PHE A 44 24.834 32.109 42.210 1.00 0.00 C ATOM 658 O PHE A 44 25.362 32.842 43.046 1.00 0.00 O ATOM 659 CB PHE A 44 26.034 32.067 40.015 1.00 0.00 C ATOM 660 CG PHE A 44 27.300 32.455 40.724 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.911 33.670 40.464 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.879 31.603 41.652 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.077 34.029 41.114 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.044 31.957 42.306 1.00 0.00 C ATOM 665 CZ PHE A 44 29.643 33.172 42.038 1.00 0.00 C ATOM 0 H PHE A 44 25.241 34.514 41.168 1.00 0.00 H new ATOM 0 HA PHE A 44 23.902 32.029 40.287 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.011 30.984 39.897 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.042 32.497 39.013 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.471 34.345 39.745 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.414 30.652 41.866 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.545 34.978 40.900 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.485 31.284 43.026 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.552 33.452 42.550 1.00 0.00 H new ATOM 675 N HIS A 45 24.295 30.933 42.517 1.00 0.00 N ATOM 676 CA HIS A 45 24.295 30.425 43.884 1.00 0.00 C ATOM 677 C HIS A 45 25.403 29.396 44.082 1.00 0.00 C ATOM 678 O HIS A 45 25.770 28.678 43.151 1.00 0.00 O ATOM 679 CB HIS A 45 22.939 29.803 44.219 1.00 0.00 C ATOM 680 CG HIS A 45 22.436 30.161 45.584 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.637 29.366 46.693 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.739 31.238 46.016 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.084 29.938 47.748 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.533 31.075 47.364 1.00 0.00 N ATOM 0 H HIS A 45 23.853 30.314 41.837 1.00 0.00 H new ATOM 0 HA HIS A 45 24.478 31.263 44.557 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.208 30.123 43.476 1.00 0.00 H new ATOM 0 HB3 HIS A 45 23.017 28.719 44.143 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.407 32.070 45.413 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.083 29.543 48.753 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.035 31.727 47.970 1.00 0.00 H new ATOM 692 N TYR A 46 25.932 29.330 45.299 1.00 0.00 N ATOM 693 CA TYR A 46 27.001 28.390 45.617 1.00 0.00 C ATOM 694 C TYR A 46 26.512 26.950 45.501 1.00 0.00 C ATOM 695 O TYR A 46 27.286 26.043 45.195 1.00 0.00 O ATOM 696 CB TYR A 46 27.531 28.648 47.029 1.00 0.00 C ATOM 697 CG TYR A 46 28.647 29.667 47.079 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.381 31.025 46.958 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.968 29.270 47.249 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.398 31.959 47.003 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.992 30.197 47.297 1.00 0.00 C ATOM 702 CZ TYR A 46 30.702 31.540 47.173 1.00 0.00 C ATOM 703 OH TYR A 46 31.717 32.467 47.219 1.00 0.00 O ATOM 0 H TYR A 46 25.638 29.916 46.081 1.00 0.00 H new ATOM 0 HA TYR A 46 27.808 28.540 44.900 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.710 28.989 47.660 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.888 27.709 47.451 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.362 31.356 46.826 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.198 28.219 47.345 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.174 33.011 46.906 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.013 29.872 47.431 1.00 0.00 H new ATOM 0 HH TYR A 46 31.592 33.051 47.996 1.00 0.00 H new ATOM 713 N SER A 47 25.222 26.747 45.747 1.00 0.00 N ATOM 714 CA SER A 47 24.629 25.417 45.674 1.00 0.00 C ATOM 715 C SER A 47 24.732 24.854 44.260 1.00 0.00 C ATOM 716 O SER A 47 24.907 23.650 44.072 1.00 0.00 O ATOM 717 CB SER A 47 23.163 25.465 46.110 1.00 0.00 C ATOM 718 OG SER A 47 22.649 24.160 46.311 1.00 0.00 O ATOM 0 H SER A 47 24.567 27.487 45.999 1.00 0.00 H new ATOM 0 HA SER A 47 25.180 24.762 46.349 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.073 26.041 47.031 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.572 25.980 45.353 1.00 0.00 H new ATOM 0 HG SER A 47 21.711 24.217 46.590 1.00 0.00 H new ATOM 724 N GLU A 48 24.623 25.734 43.269 1.00 0.00 N ATOM 725 CA GLU A 48 24.704 25.324 41.872 1.00 0.00 C ATOM 726 C GLU A 48 26.156 25.236 41.414 1.00 0.00 C ATOM 727 O GLU A 48 26.484 24.488 40.492 1.00 0.00 O ATOM 728 CB GLU A 48 23.936 26.306 40.985 1.00 0.00 C ATOM 729 CG GLU A 48 22.528 25.847 40.646 1.00 0.00 C ATOM 730 CD GLU A 48 22.510 24.707 39.646 1.00 0.00 C ATOM 731 OE1 GLU A 48 23.594 24.165 39.346 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.413 24.357 39.164 1.00 0.00 O ATOM 0 H GLU A 48 24.479 26.734 43.408 1.00 0.00 H new ATOM 0 HA GLU A 48 24.253 24.336 41.783 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.883 27.272 41.488 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.492 26.458 40.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.023 25.532 41.559 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.963 26.688 40.243 1.00 0.00 H new ATOM 739 N PHE A 49 27.023 26.005 42.064 1.00 0.00 N ATOM 740 CA PHE A 49 28.441 26.016 41.723 1.00 0.00 C ATOM 741 C PHE A 49 29.006 24.599 41.702 1.00 0.00 C ATOM 742 O PHE A 49 28.834 23.835 42.653 1.00 0.00 O ATOM 743 CB PHE A 49 29.221 26.873 42.722 1.00 0.00 C ATOM 744 CG PHE A 49 30.711 26.785 42.553 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.341 27.425 41.498 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.481 26.061 43.449 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.712 27.346 41.340 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.852 25.979 43.296 1.00 0.00 C ATOM 749 CZ PHE A 49 33.468 26.621 42.239 1.00 0.00 C ATOM 0 H PHE A 49 26.769 26.629 42.830 1.00 0.00 H new ATOM 0 HA PHE A 49 28.546 26.445 40.727 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.912 27.913 42.615 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.959 26.565 43.734 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.754 27.992 40.791 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.005 25.555 44.276 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.191 27.851 40.514 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.442 25.413 44.002 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.539 26.556 42.116 1.00 0.00 H new ATOM 759 N LYS A 50 29.682 24.253 40.611 1.00 0.00 N ATOM 760 CA LYS A 50 30.274 22.929 40.465 1.00 0.00 C ATOM 761 C LYS A 50 31.792 23.022 40.349 1.00 0.00 C ATOM 762 O LYS A 50 32.348 22.927 39.255 1.00 0.00 O ATOM 763 CB LYS A 50 29.700 22.225 39.233 1.00 0.00 C ATOM 764 CG LYS A 50 28.187 22.319 39.129 1.00 0.00 C ATOM 765 CD LYS A 50 27.507 21.764 40.369 1.00 0.00 C ATOM 766 CE LYS A 50 27.798 20.282 40.549 1.00 0.00 C ATOM 767 NZ LYS A 50 26.806 19.627 41.446 1.00 0.00 N ATOM 0 H LYS A 50 29.833 24.872 39.815 1.00 0.00 H new ATOM 0 HA LYS A 50 30.030 22.349 41.355 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.145 22.658 38.337 1.00 0.00 H new ATOM 0 HB3 LYS A 50 29.990 21.174 39.257 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.895 23.360 38.988 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.847 21.771 38.250 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.847 22.312 41.248 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.431 21.918 40.294 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.789 19.789 39.577 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.799 20.156 40.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.039 18.618 41.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.832 20.080 42.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.853 19.725 41.040 1.00 0.00 H new ATOM 781 N GLY A 51 32.458 23.206 41.485 1.00 0.00 N ATOM 782 CA GLY A 51 33.905 23.306 41.489 1.00 0.00 C ATOM 783 C GLY A 51 34.492 23.179 42.881 1.00 0.00 C ATOM 784 O GLY A 51 34.098 22.303 43.650 1.00 0.00 O ATOM 0 H GLY A 51 32.021 23.288 42.403 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.322 22.527 40.850 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.201 24.263 41.059 1.00 0.00 H new ATOM 788 N ASP A 52 35.437 24.055 43.205 1.00 0.00 N ATOM 789 CA ASP A 52 36.080 24.037 44.514 1.00 0.00 C ATOM 790 C ASP A 52 35.460 25.081 45.438 1.00 0.00 C ATOM 791 O ASP A 52 35.599 26.284 45.214 1.00 0.00 O ATOM 792 CB ASP A 52 37.581 24.290 44.371 1.00 0.00 C ATOM 793 CG ASP A 52 38.253 23.287 43.454 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.010 22.074 43.622 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.023 23.716 42.568 1.00 0.00 O ATOM 0 H ASP A 52 35.775 24.786 42.579 1.00 0.00 H new ATOM 0 HA ASP A 52 35.926 23.052 44.954 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.742 25.296 43.984 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.049 24.249 45.355 1.00 0.00 H new ATOM 800 N LEU A 53 34.777 24.613 46.476 1.00 0.00 N ATOM 801 CA LEU A 53 34.135 25.506 47.435 1.00 0.00 C ATOM 802 C LEU A 53 35.140 26.013 48.464 1.00 0.00 C ATOM 803 O LEU A 53 34.955 27.077 49.053 1.00 0.00 O ATOM 804 CB LEU A 53 32.984 24.786 48.140 1.00 0.00 C ATOM 805 CG LEU A 53 31.680 25.575 48.273 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.928 26.900 48.978 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.054 25.805 46.905 1.00 0.00 C ATOM 0 H LEU A 53 34.653 23.620 46.676 1.00 0.00 H new ATOM 0 HA LEU A 53 33.739 26.362 46.889 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.774 23.863 47.599 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.317 24.502 49.138 1.00 0.00 H new ATOM 0 HG LEU A 53 30.984 24.991 48.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.990 27.448 49.064 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.331 26.713 49.973 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.641 27.490 48.403 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.127 26.368 47.019 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.746 26.368 46.278 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.840 24.844 46.437 1.00 0.00 H new ATOM 819 N GLU A 54 36.204 25.244 48.673 1.00 0.00 N ATOM 820 CA GLU A 54 37.238 25.617 49.631 1.00 0.00 C ATOM 821 C GLU A 54 38.315 26.469 48.964 1.00 0.00 C ATOM 822 O GLU A 54 38.809 27.435 49.547 1.00 0.00 O ATOM 823 CB GLU A 54 37.871 24.367 50.245 1.00 0.00 C ATOM 824 CG GLU A 54 38.516 23.446 49.224 1.00 0.00 C ATOM 825 CD GLU A 54 39.057 22.173 49.845 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.317 21.527 50.615 1.00 0.00 O ATOM 827 OE2 GLU A 54 40.222 21.823 49.560 1.00 0.00 O ATOM 0 H GLU A 54 36.372 24.360 48.192 1.00 0.00 H new ATOM 0 HA GLU A 54 36.770 26.204 50.421 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.623 24.671 50.973 1.00 0.00 H new ATOM 0 HB3 GLU A 54 37.106 23.813 50.789 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.784 23.189 48.458 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.327 23.975 48.725 1.00 0.00 H new ATOM 834 N THR A 55 38.675 26.105 47.737 1.00 0.00 N ATOM 835 CA THR A 55 39.693 26.833 46.991 1.00 0.00 C ATOM 836 C THR A 55 39.081 27.584 45.814 1.00 0.00 C ATOM 837 O THR A 55 38.997 27.056 44.704 1.00 0.00 O ATOM 838 CB THR A 55 40.790 25.887 46.467 1.00 0.00 C ATOM 839 OG1 THR A 55 40.222 24.931 45.564 1.00 0.00 O ATOM 840 CG2 THR A 55 41.474 25.162 47.617 1.00 0.00 C ATOM 0 H THR A 55 38.276 25.309 47.239 1.00 0.00 H new ATOM 0 HA THR A 55 40.140 27.548 47.682 1.00 0.00 H new ATOM 0 HB THR A 55 41.534 26.485 45.941 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.860 25.396 44.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.245 24.500 47.223 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.930 25.891 48.287 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.738 24.575 48.166 1.00 0.00 H new ATOM 848 N LEU A 56 38.654 28.817 46.063 1.00 0.00 N ATOM 849 CA LEU A 56 38.049 29.641 45.022 1.00 0.00 C ATOM 850 C LEU A 56 38.164 31.123 45.366 1.00 0.00 C ATOM 851 O LEU A 56 37.226 31.721 45.893 1.00 0.00 O ATOM 852 CB LEU A 56 36.580 29.262 44.833 1.00 0.00 C ATOM 853 CG LEU A 56 35.782 30.131 43.860 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.058 29.714 42.423 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.294 30.045 44.165 1.00 0.00 C ATOM 0 H LEU A 56 38.715 29.268 46.976 1.00 0.00 H new ATOM 0 HA LEU A 56 38.586 29.460 44.091 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.534 28.229 44.488 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.089 29.296 45.806 1.00 0.00 H new ATOM 0 HG LEU A 56 36.099 31.167 43.984 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.482 30.343 41.745 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.121 29.828 42.209 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.770 28.672 42.285 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.742 30.670 43.463 1.00 0.00 H new ATOM 0 HD22 LEU A 56 33.962 29.011 44.069 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.110 30.393 45.182 1.00 0.00 H new ATOM 867 N GLN A 57 39.318 31.708 45.063 1.00 0.00 N ATOM 868 CA GLN A 57 39.553 33.121 45.340 1.00 0.00 C ATOM 869 C GLN A 57 40.934 33.548 44.852 1.00 0.00 C ATOM 870 O GLN A 57 41.830 32.728 44.654 1.00 0.00 O ATOM 871 CB GLN A 57 39.420 33.398 46.838 1.00 0.00 C ATOM 872 CG GLN A 57 39.881 32.244 47.714 1.00 0.00 C ATOM 873 CD GLN A 57 40.245 32.686 49.118 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.372 33.004 49.926 1.00 0.00 O ATOM 875 NE2 GLN A 57 41.539 32.707 49.416 1.00 0.00 N ATOM 0 H GLN A 57 40.104 31.227 44.626 1.00 0.00 H new ATOM 0 HA GLN A 57 38.802 33.701 44.803 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.000 34.287 47.087 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.378 33.623 47.066 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.091 31.495 47.766 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.745 31.765 47.253 1.00 0.00 H new ATOM 0 HE21 GLN A 57 42.228 32.435 48.715 1.00 0.00 H new ATOM 0 HE22 GLN A 57 41.844 32.995 50.346 1.00 0.00 H new ATOM 884 N PRO A 58 41.111 34.863 44.653 1.00 0.00 N ATOM 885 CA PRO A 58 40.051 35.848 44.886 1.00 0.00 C ATOM 886 C PRO A 58 38.928 35.745 43.859 1.00 0.00 C ATOM 887 O PRO A 58 37.750 35.720 44.213 1.00 0.00 O ATOM 888 CB PRO A 58 40.777 37.189 44.751 1.00 0.00 C ATOM 889 CG PRO A 58 41.946 36.900 43.873 1.00 0.00 C ATOM 890 CD PRO A 58 42.359 35.488 44.186 1.00 0.00 C ATOM 0 HA PRO A 58 39.567 35.705 45.852 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.129 37.947 44.311 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.095 37.566 45.723 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.680 37.005 42.821 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.761 37.597 44.066 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.757 34.982 43.307 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.135 35.456 44.951 1.00 0.00 H new ATOM 898 N GLY A 59 39.301 35.684 42.584 1.00 0.00 N ATOM 899 CA GLY A 59 38.313 35.584 41.526 1.00 0.00 C ATOM 900 C GLY A 59 38.798 34.749 40.358 1.00 0.00 C ATOM 901 O GLY A 59 39.248 35.286 39.346 1.00 0.00 O ATOM 0 H GLY A 59 40.270 35.702 42.265 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.399 35.146 41.927 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.060 36.584 41.174 1.00 0.00 H new ATOM 905 N ASP A 60 38.708 33.431 40.497 1.00 0.00 N ATOM 906 CA ASP A 60 39.141 32.519 39.445 1.00 0.00 C ATOM 907 C ASP A 60 38.144 32.507 38.291 1.00 0.00 C ATOM 908 O ASP A 60 36.932 32.558 38.504 1.00 0.00 O ATOM 909 CB ASP A 60 39.311 31.105 40.004 1.00 0.00 C ATOM 910 CG ASP A 60 40.752 30.789 40.351 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.195 31.171 41.455 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.438 30.158 39.520 1.00 0.00 O ATOM 0 H ASP A 60 38.339 32.970 41.329 1.00 0.00 H new ATOM 0 HA ASP A 60 40.101 32.870 39.067 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.693 30.993 40.895 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.950 30.382 39.272 1.00 0.00 H new ATOM 917 N ASP A 61 38.661 32.440 37.069 1.00 0.00 N ATOM 918 CA ASP A 61 37.816 32.422 35.881 1.00 0.00 C ATOM 919 C ASP A 61 36.749 31.337 35.990 1.00 0.00 C ATOM 920 O ASP A 61 37.032 30.212 36.402 1.00 0.00 O ATOM 921 CB ASP A 61 38.665 32.196 34.629 1.00 0.00 C ATOM 922 CG ASP A 61 39.761 33.231 34.478 1.00 0.00 C ATOM 923 OD1 ASP A 61 40.762 33.148 35.221 1.00 0.00 O ATOM 924 OD2 ASP A 61 39.619 34.126 33.618 1.00 0.00 O ATOM 0 H ASP A 61 39.662 32.397 36.875 1.00 0.00 H new ATOM 0 HA ASP A 61 37.319 33.389 35.804 1.00 0.00 H new ATOM 0 HB2 ASP A 61 39.111 31.202 34.671 1.00 0.00 H new ATOM 0 HB3 ASP A 61 38.023 32.220 33.749 1.00 0.00 H new ATOM 929 N VAL A 62 35.520 31.684 35.619 1.00 0.00 N ATOM 930 CA VAL A 62 34.410 30.740 35.675 1.00 0.00 C ATOM 931 C VAL A 62 33.529 30.854 34.436 1.00 0.00 C ATOM 932 O VAL A 62 33.542 31.872 33.745 1.00 0.00 O ATOM 933 CB VAL A 62 33.544 30.966 36.929 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.298 30.545 38.181 1.00 0.00 C ATOM 935 CG2 VAL A 62 33.110 32.421 37.022 1.00 0.00 C ATOM 0 H VAL A 62 35.268 32.611 35.277 1.00 0.00 H new ATOM 0 HA VAL A 62 34.845 29.742 35.718 1.00 0.00 H new ATOM 0 HB VAL A 62 32.649 30.349 36.848 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.671 30.712 39.057 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.553 29.487 38.114 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.211 31.134 38.271 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.499 32.562 37.914 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.991 33.060 37.081 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.529 32.684 36.138 1.00 0.00 H new ATOM 945 N GLU A 63 32.765 29.801 34.162 1.00 0.00 N ATOM 946 CA GLU A 63 31.878 29.783 33.004 1.00 0.00 C ATOM 947 C GLU A 63 30.427 29.587 33.434 1.00 0.00 C ATOM 948 O GLU A 63 30.149 28.948 34.450 1.00 0.00 O ATOM 949 CB GLU A 63 32.289 28.673 32.036 1.00 0.00 C ATOM 950 CG GLU A 63 31.756 28.867 30.626 1.00 0.00 C ATOM 951 CD GLU A 63 30.799 27.767 30.208 1.00 0.00 C ATOM 952 OE1 GLU A 63 29.720 27.654 30.825 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.130 27.019 29.264 1.00 0.00 O ATOM 0 H GLU A 63 32.742 28.951 34.725 1.00 0.00 H new ATOM 0 HA GLU A 63 31.963 30.745 32.498 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.377 28.618 32.000 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.935 27.717 32.421 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.248 29.829 30.563 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.592 28.901 29.927 1.00 0.00 H new ATOM 960 N PHE A 64 29.504 30.141 32.654 1.00 0.00 N ATOM 961 CA PHE A 64 28.082 30.028 32.954 1.00 0.00 C ATOM 962 C PHE A 64 27.241 30.287 31.707 1.00 0.00 C ATOM 963 O PHE A 64 27.734 30.813 30.709 1.00 0.00 O ATOM 964 CB PHE A 64 27.692 31.013 34.059 1.00 0.00 C ATOM 965 CG PHE A 64 27.946 32.449 33.698 1.00 0.00 C ATOM 966 CD1 PHE A 64 29.193 33.018 33.902 1.00 0.00 C ATOM 967 CD2 PHE A 64 26.938 33.229 33.155 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.428 34.339 33.572 1.00 0.00 C ATOM 969 CE2 PHE A 64 27.168 34.551 32.823 1.00 0.00 C ATOM 970 CZ PHE A 64 28.415 35.107 33.031 1.00 0.00 C ATOM 0 H PHE A 64 29.716 30.673 31.810 1.00 0.00 H new ATOM 0 HA PHE A 64 27.888 29.012 33.297 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.635 30.886 34.291 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.248 30.770 34.964 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.990 32.423 34.323 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.961 32.799 32.989 1.00 0.00 H new ATOM 0 HE1 PHE A 64 30.404 34.771 33.737 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.373 35.149 32.401 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.598 36.139 32.771 1.00 0.00 H new ATOM 980 N THR A 65 25.967 29.912 31.772 1.00 0.00 N ATOM 981 CA THR A 65 25.057 30.100 30.649 1.00 0.00 C ATOM 982 C THR A 65 23.761 30.766 31.097 1.00 0.00 C ATOM 983 O THR A 65 23.085 30.280 32.005 1.00 0.00 O ATOM 984 CB THR A 65 24.724 28.761 29.965 1.00 0.00 C ATOM 985 OG1 THR A 65 25.931 28.070 29.626 1.00 0.00 O ATOM 986 CG2 THR A 65 23.893 28.986 28.710 1.00 0.00 C ATOM 0 H THR A 65 25.542 29.476 32.591 1.00 0.00 H new ATOM 0 HA THR A 65 25.566 30.747 29.935 1.00 0.00 H new ATOM 0 HB THR A 65 24.144 28.157 30.663 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.710 27.219 29.193 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.670 28.026 28.244 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.961 29.486 28.975 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.452 29.608 28.010 1.00 0.00 H new ATOM 994 N ILE A 66 23.420 31.878 30.455 1.00 0.00 N ATOM 995 CA ILE A 66 22.203 32.608 30.788 1.00 0.00 C ATOM 996 C ILE A 66 21.023 32.119 29.955 1.00 0.00 C ATOM 997 O ILE A 66 21.059 32.157 28.725 1.00 0.00 O ATOM 998 CB ILE A 66 22.378 34.123 30.569 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.654 34.615 31.254 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.165 34.877 31.093 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.852 34.671 30.331 1.00 0.00 C ATOM 0 H ILE A 66 23.969 32.293 29.702 1.00 0.00 H new ATOM 0 HA ILE A 66 22.002 32.422 31.843 1.00 0.00 H new ATOM 0 HB ILE A 66 22.466 34.313 29.499 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.476 35.608 31.666 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.883 33.958 32.093 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.303 35.946 30.931 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.272 34.543 30.564 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.049 34.683 32.159 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.721 35.028 30.884 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.056 33.675 29.939 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.643 35.350 29.505 1.00 0.00 H new ATOM 1013 N LYS A 67 19.977 31.660 30.634 1.00 0.00 N ATOM 1014 CA LYS A 67 18.783 31.165 29.958 1.00 0.00 C ATOM 1015 C LYS A 67 17.669 32.206 29.990 1.00 0.00 C ATOM 1016 O LYS A 67 17.697 33.135 30.798 1.00 0.00 O ATOM 1017 CB LYS A 67 18.303 29.868 30.612 1.00 0.00 C ATOM 1018 CG LYS A 67 19.415 28.865 30.863 1.00 0.00 C ATOM 1019 CD LYS A 67 20.043 28.391 29.563 1.00 0.00 C ATOM 1020 CE LYS A 67 20.535 26.956 29.672 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.469 25.976 29.322 1.00 0.00 N ATOM 0 H LYS A 67 19.932 31.620 31.652 1.00 0.00 H new ATOM 0 HA LYS A 67 19.040 30.966 28.918 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.819 30.106 31.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.547 29.408 29.975 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.180 29.319 31.493 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.018 28.009 31.409 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.313 28.466 28.757 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.876 29.043 29.301 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.390 26.814 29.011 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.882 26.767 30.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.844 25.010 29.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.663 26.094 29.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.155 26.139 28.344 1.00 0.00 H new ATOM 1129 N VAL A 74 19.722 35.287 35.788 1.00 0.00 N ATOM 1130 CA VAL A 74 20.495 34.490 36.733 1.00 0.00 C ATOM 1131 C VAL A 74 21.112 33.275 36.051 1.00 0.00 C ATOM 1132 O VAL A 74 20.491 32.650 35.192 1.00 0.00 O ATOM 1133 CB VAL A 74 19.624 34.017 37.912 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.286 35.183 38.829 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.358 33.344 37.403 1.00 0.00 C ATOM 0 HA VAL A 74 21.290 35.132 37.113 1.00 0.00 H new ATOM 0 HB VAL A 74 20.190 33.286 38.488 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.670 34.829 39.656 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.206 35.616 39.221 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.739 35.941 38.268 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.755 33.016 38.250 1.00 0.00 H new ATOM 0 HG22 VAL A 74 17.786 34.051 36.802 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.625 32.482 36.792 1.00 0.00 H new ATOM 1145 N ALA A 75 22.339 32.944 36.440 1.00 0.00 N ATOM 1146 CA ALA A 75 23.040 31.801 35.868 1.00 0.00 C ATOM 1147 C ALA A 75 22.719 30.522 36.632 1.00 0.00 C ATOM 1148 O ALA A 75 22.199 30.565 37.748 1.00 0.00 O ATOM 1149 CB ALA A 75 24.541 32.052 35.862 1.00 0.00 C ATOM 0 H ALA A 75 22.868 33.451 37.149 1.00 0.00 H new ATOM 0 HA ALA A 75 22.700 31.674 34.840 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.052 31.191 35.432 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.759 32.938 35.266 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.888 32.207 36.884 1.00 0.00 H new ATOM 1155 N THR A 76 23.030 29.381 36.025 1.00 0.00 N ATOM 1156 CA THR A 76 22.773 28.088 36.647 1.00 0.00 C ATOM 1157 C THR A 76 23.842 27.071 36.264 1.00 0.00 C ATOM 1158 O THR A 76 24.245 26.987 35.104 1.00 0.00 O ATOM 1159 CB THR A 76 21.390 27.538 36.248 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.800 28.376 35.248 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.471 27.457 37.457 1.00 0.00 C ATOM 0 H THR A 76 23.461 29.326 35.102 1.00 0.00 H new ATOM 0 HA THR A 76 22.796 28.246 37.725 1.00 0.00 H new ATOM 0 HB THR A 76 21.524 26.534 35.846 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.922 28.019 34.998 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.501 27.066 37.151 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.910 26.795 38.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.343 28.452 37.884 1.00 0.00 H new ATOM 1169 N ASP A 77 24.296 26.300 37.246 1.00 0.00 N ATOM 1170 CA ASP A 77 25.318 25.286 37.011 1.00 0.00 C ATOM 1171 C ASP A 77 26.622 25.927 36.547 1.00 0.00 C ATOM 1172 O ASP A 77 27.026 25.773 35.394 1.00 0.00 O ATOM 1173 CB ASP A 77 24.834 24.275 35.972 1.00 0.00 C ATOM 1174 CG ASP A 77 25.537 22.937 36.094 1.00 0.00 C ATOM 1175 OD1 ASP A 77 25.107 22.115 36.930 1.00 0.00 O ATOM 1176 OD2 ASP A 77 26.518 22.712 35.355 1.00 0.00 O ATOM 0 H ASP A 77 23.973 26.358 38.212 1.00 0.00 H new ATOM 0 HA ASP A 77 25.504 24.767 37.952 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.760 24.129 36.084 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.998 24.679 34.973 1.00 0.00 H new ATOM 1181 N VAL A 78 27.277 26.647 37.452 1.00 0.00 N ATOM 1182 CA VAL A 78 28.536 27.312 37.135 1.00 0.00 C ATOM 1183 C VAL A 78 29.709 26.342 37.232 1.00 0.00 C ATOM 1184 O VAL A 78 29.788 25.539 38.162 1.00 0.00 O ATOM 1185 CB VAL A 78 28.792 28.506 38.073 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.135 29.149 37.765 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.666 29.522 37.961 1.00 0.00 C ATOM 0 H VAL A 78 26.957 26.785 38.411 1.00 0.00 H new ATOM 0 HA VAL A 78 28.453 27.676 36.111 1.00 0.00 H new ATOM 0 HB VAL A 78 28.819 28.140 39.099 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.298 29.991 38.438 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.930 28.416 37.902 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.141 29.502 36.734 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.863 30.359 38.631 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.604 29.885 36.935 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.722 29.051 38.237 1.00 0.00 H new ATOM 1197 N ARG A 79 30.618 26.423 36.266 1.00 0.00 N ATOM 1198 CA ARG A 79 31.787 25.553 36.243 1.00 0.00 C ATOM 1199 C ARG A 79 33.069 26.367 36.093 1.00 0.00 C ATOM 1200 O ARG A 79 33.191 27.191 35.185 1.00 0.00 O ATOM 1201 CB ARG A 79 31.675 24.543 35.098 1.00 0.00 C ATOM 1202 CG ARG A 79 31.375 25.181 33.751 1.00 0.00 C ATOM 1203 CD ARG A 79 32.291 24.641 32.664 1.00 0.00 C ATOM 1204 NE ARG A 79 32.165 23.194 32.511 1.00 0.00 N ATOM 1205 CZ ARG A 79 31.117 22.602 31.951 1.00 0.00 C ATOM 1206 NH1 ARG A 79 30.108 23.330 31.491 1.00 0.00 N ATOM 1207 NH2 ARG A 79 31.076 21.280 31.848 1.00 0.00 N ATOM 0 H ARG A 79 30.567 27.082 35.489 1.00 0.00 H new ATOM 0 HA ARG A 79 31.827 25.016 37.191 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.607 23.983 35.026 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.890 23.825 35.334 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.336 24.992 33.481 1.00 0.00 H new ATOM 0 HG3 ARG A 79 31.493 26.262 33.825 1.00 0.00 H new ATOM 0 HD2 ARG A 79 32.056 25.127 31.717 1.00 0.00 H new ATOM 0 HD3 ARG A 79 33.324 24.892 32.903 1.00 0.00 H new ATOM 0 HE ARG A 79 32.924 22.606 32.853 1.00 0.00 H new ATOM 0 HH11 ARG A 79 30.136 24.347 31.567 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.304 22.873 31.061 1.00 0.00 H new ATOM 0 HH21 ARG A 79 31.850 20.717 32.199 1.00 0.00 H new ATOM 0 HH22 ARG A 79 30.270 20.827 31.417 1.00 0.00 H new ATOM 1221 N LEU A 80 34.021 26.132 36.989 1.00 0.00 N ATOM 1222 CA LEU A 80 35.294 26.844 36.957 1.00 0.00 C ATOM 1223 C LEU A 80 35.988 26.658 35.611 1.00 0.00 C ATOM 1224 O LEU A 80 35.881 25.602 34.986 1.00 0.00 O ATOM 1225 CB LEU A 80 36.203 26.353 38.085 1.00 0.00 C ATOM 1226 CG LEU A 80 36.265 27.238 39.330 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.799 26.453 40.517 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.127 28.466 39.069 1.00 0.00 C ATOM 0 H LEU A 80 33.936 25.454 37.746 1.00 0.00 H new ATOM 0 HA LEU A 80 35.093 27.906 37.097 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.871 25.360 38.386 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.213 26.245 37.690 1.00 0.00 H new ATOM 0 HG LEU A 80 35.254 27.571 39.566 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.836 27.099 41.394 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.143 25.606 40.718 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.802 26.090 40.292 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.160 29.085 39.966 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.138 28.152 38.807 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.701 29.041 38.247 1.00 0.00 H new ATOM 1240 N LEU A 81 36.701 27.689 35.172 1.00 0.00 N ATOM 1241 CA LEU A 81 37.416 27.640 33.901 1.00 0.00 C ATOM 1242 C LEU A 81 38.818 27.068 34.087 1.00 0.00 C ATOM 1243 O LEU A 81 39.374 27.066 35.186 1.00 0.00 O ATOM 1244 CB LEU A 81 37.500 29.038 33.286 1.00 0.00 C ATOM 1245 CG LEU A 81 36.276 29.496 32.492 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.422 30.953 32.081 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.072 28.613 31.270 1.00 0.00 C ATOM 0 H LEU A 81 36.800 28.570 35.677 1.00 0.00 H new ATOM 0 HA LEU A 81 36.863 26.986 33.226 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.678 29.756 34.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.369 29.072 32.628 1.00 0.00 H new ATOM 0 HG LEU A 81 35.397 29.406 33.131 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.542 31.262 31.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.519 31.574 32.971 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.310 31.069 31.460 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.197 28.954 30.717 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.951 28.671 30.629 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.922 27.581 31.588 1.00 0.00 H new ATOM 1259 N PRO A 82 39.406 26.574 32.988 1.00 0.00 N ATOM 1260 CA PRO A 82 40.752 25.993 33.003 1.00 0.00 C ATOM 1261 C PRO A 82 41.834 27.044 33.228 1.00 0.00 C ATOM 1262 O PRO A 82 41.562 28.243 33.197 1.00 0.00 O ATOM 1263 CB PRO A 82 40.888 25.376 31.609 1.00 0.00 C ATOM 1264 CG PRO A 82 39.952 26.159 30.755 1.00 0.00 C ATOM 1265 CD PRO A 82 38.802 26.543 31.645 1.00 0.00 C ATOM 0 HA PRO A 82 40.878 25.277 33.815 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.912 25.448 31.243 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.626 24.318 31.617 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.442 27.043 30.348 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.608 25.566 29.907 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.386 27.512 31.369 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.989 25.819 31.586 1.00 0.00 H new