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 -135:sc= -0.626 (180deg=-1.64) USER MOD Set 1.2: A 46 TYR OH : rot 62:sc= 0.394 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.000744 K(o=-0.00074,f=-0.75) USER MOD Single : A 24 CYS SG : rot 112:sc= 0.00311 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=-0.2) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00109 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 62:sc= 0.102 USER MOD Single : A 57 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.5!) 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= 0.00685 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.281 32.299 28.318 1.00 0.00 N ATOM 272 CA CYS A 19 28.935 33.488 28.852 1.00 0.00 C ATOM 273 C CYS A 19 29.888 33.122 29.985 1.00 0.00 C ATOM 274 O CYS A 19 29.562 32.299 30.841 1.00 0.00 O ATOM 275 CB CYS A 19 27.891 34.489 29.350 1.00 0.00 C ATOM 276 SG CYS A 19 27.396 35.715 28.116 1.00 0.00 S ATOM 0 HA CYS A 19 29.513 33.946 28.050 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.007 33.942 29.678 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.288 35.007 30.223 1.00 0.00 H new ATOM 0 HG CYS A 19 26.509 36.515 28.630 1.00 0.00 H new ATOM 282 N GLN A 20 31.066 33.737 29.983 1.00 0.00 N ATOM 283 CA GLN A 20 32.067 33.474 31.010 1.00 0.00 C ATOM 284 C GLN A 20 32.632 34.776 31.566 1.00 0.00 C ATOM 285 O GLN A 20 32.510 35.832 30.947 1.00 0.00 O ATOM 286 CB GLN A 20 33.197 32.615 30.441 1.00 0.00 C ATOM 287 CG GLN A 20 33.993 33.304 29.344 1.00 0.00 C ATOM 288 CD GLN A 20 33.767 32.681 27.981 1.00 0.00 C ATOM 289 OE1 GLN A 20 32.641 32.635 27.485 1.00 0.00 O ATOM 290 NE2 GLN A 20 34.840 32.198 27.366 1.00 0.00 N ATOM 0 H GLN A 20 31.351 34.421 29.282 1.00 0.00 H new ATOM 0 HA GLN A 20 31.583 32.933 31.824 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.873 32.338 31.249 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.776 31.690 30.046 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.718 34.358 29.308 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.054 33.260 29.588 1.00 0.00 H new ATOM 0 HE21 GLN A 20 35.754 32.257 27.814 1.00 0.00 H new ATOM 0 HE22 GLN A 20 34.750 31.768 26.446 1.00 0.00 H new ATOM 299 N GLY A 21 33.251 34.694 32.740 1.00 0.00 N ATOM 300 CA GLY A 21 33.826 35.873 33.360 1.00 0.00 C ATOM 301 C GLY A 21 34.606 35.545 34.618 1.00 0.00 C ATOM 302 O GLY A 21 34.775 34.376 34.966 1.00 0.00 O ATOM 0 H GLY A 21 33.364 33.832 33.273 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.484 36.370 32.647 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.030 36.577 33.603 1.00 0.00 H new ATOM 306 N VAL A 22 35.085 36.579 35.302 1.00 0.00 N ATOM 307 CA VAL A 22 35.852 36.396 36.528 1.00 0.00 C ATOM 308 C VAL A 22 35.019 36.747 37.756 1.00 0.00 C ATOM 309 O VAL A 22 34.431 37.826 37.833 1.00 0.00 O ATOM 310 CB VAL A 22 37.129 37.257 36.525 1.00 0.00 C ATOM 311 CG1 VAL A 22 38.006 36.916 37.721 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.894 37.071 35.223 1.00 0.00 C ATOM 0 H VAL A 22 34.955 37.553 35.027 1.00 0.00 H new ATOM 0 HA VAL A 22 36.132 35.343 36.571 1.00 0.00 H new ATOM 0 HB VAL A 22 36.840 38.305 36.604 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.904 37.534 37.702 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.455 37.105 38.642 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.289 35.864 37.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.793 37.687 35.238 1.00 0.00 H new ATOM 0 HG22 VAL A 22 38.173 36.023 35.112 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.264 37.370 34.385 1.00 0.00 H new ATOM 322 N VAL A 23 34.973 35.828 38.715 1.00 0.00 N ATOM 323 CA VAL A 23 34.212 36.040 39.941 1.00 0.00 C ATOM 324 C VAL A 23 34.590 37.362 40.600 1.00 0.00 C ATOM 325 O VAL A 23 35.636 37.471 41.241 1.00 0.00 O ATOM 326 CB VAL A 23 34.438 34.895 40.946 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.661 35.150 42.229 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.043 33.561 40.331 1.00 0.00 C ATOM 0 H VAL A 23 35.454 34.930 38.667 1.00 0.00 H new ATOM 0 HA VAL A 23 33.159 36.065 39.660 1.00 0.00 H new ATOM 0 HB VAL A 23 35.499 34.856 41.193 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.833 34.331 42.927 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.996 36.085 42.677 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.597 35.217 42.003 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.209 32.763 41.055 1.00 0.00 H new ATOM 0 HG22 VAL A 23 32.989 33.586 40.054 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.647 33.377 39.443 1.00 0.00 H new ATOM 338 N CYS A 24 33.733 38.363 40.438 1.00 0.00 N ATOM 339 CA CYS A 24 33.976 39.680 41.017 1.00 0.00 C ATOM 340 C CYS A 24 33.589 39.705 42.492 1.00 0.00 C ATOM 341 O CYS A 24 34.421 39.975 43.358 1.00 0.00 O ATOM 342 CB CYS A 24 33.193 40.749 40.254 1.00 0.00 C ATOM 343 SG CYS A 24 33.567 42.443 40.763 1.00 0.00 S ATOM 0 H CYS A 24 32.863 38.288 39.910 1.00 0.00 H new ATOM 0 HA CYS A 24 35.042 39.894 40.936 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.402 40.647 39.189 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.127 40.568 40.388 1.00 0.00 H new ATOM 0 HG CYS A 24 34.184 43.060 39.799 1.00 0.00 H new ATOM 349 N ALA A 25 32.320 39.423 42.770 1.00 0.00 N ATOM 350 CA ALA A 25 31.823 39.413 44.140 1.00 0.00 C ATOM 351 C ALA A 25 31.938 38.023 44.756 1.00 0.00 C ATOM 352 O ALA A 25 31.742 37.015 44.077 1.00 0.00 O ATOM 353 CB ALA A 25 30.379 39.893 44.181 1.00 0.00 C ATOM 0 H ALA A 25 31.618 39.199 42.065 1.00 0.00 H new ATOM 0 HA ALA A 25 32.438 40.094 44.728 1.00 0.00 H new ATOM 0 HB1 ALA A 25 30.020 39.880 45.210 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.322 40.909 43.789 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.759 39.234 43.573 1.00 0.00 H new ATOM 359 N MET A 26 32.257 37.976 46.045 1.00 0.00 N ATOM 360 CA MET A 26 32.398 36.708 46.752 1.00 0.00 C ATOM 361 C MET A 26 31.758 36.783 48.135 1.00 0.00 C ATOM 362 O MET A 26 32.150 37.599 48.968 1.00 0.00 O ATOM 363 CB MET A 26 33.875 36.332 46.880 1.00 0.00 C ATOM 364 CG MET A 26 34.401 35.525 45.705 1.00 0.00 C ATOM 365 SD MET A 26 35.807 34.486 46.149 1.00 0.00 S ATOM 366 CE MET A 26 35.011 33.267 47.192 1.00 0.00 C ATOM 0 H MET A 26 32.423 38.801 46.621 1.00 0.00 H new ATOM 0 HA MET A 26 31.884 35.939 46.174 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.466 37.243 46.978 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.017 35.759 47.796 1.00 0.00 H new ATOM 0 HG2 MET A 26 33.600 34.898 45.313 1.00 0.00 H new ATOM 0 HG3 MET A 26 34.695 36.205 44.905 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.612 33.105 48.087 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.022 33.624 47.479 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.914 32.329 46.646 1.00 0.00 H new ATOM 376 N LYS A 27 30.771 35.926 48.372 1.00 0.00 N ATOM 377 CA LYS A 27 30.077 35.893 49.654 1.00 0.00 C ATOM 378 C LYS A 27 29.898 34.458 50.139 1.00 0.00 C ATOM 379 O LYS A 27 30.234 33.508 49.433 1.00 0.00 O ATOM 380 CB LYS A 27 28.713 36.577 49.536 1.00 0.00 C ATOM 381 CG LYS A 27 28.320 37.368 50.771 1.00 0.00 C ATOM 382 CD LYS A 27 27.907 38.787 50.417 1.00 0.00 C ATOM 383 CE LYS A 27 28.235 39.759 51.539 1.00 0.00 C ATOM 384 NZ LYS A 27 27.197 39.745 52.607 1.00 0.00 N ATOM 0 H LYS A 27 30.433 35.244 47.692 1.00 0.00 H new ATOM 0 HA LYS A 27 30.685 36.431 50.382 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.725 37.246 48.675 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.952 35.821 49.342 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.498 36.865 51.280 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.157 37.395 51.468 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.415 39.098 49.504 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.837 38.815 50.211 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.203 39.503 51.970 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.324 40.766 51.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.458 40.421 53.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.278 40.014 52.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.130 38.790 53.013 1.00 0.00 H new ATOM 398 N GLU A 28 29.366 34.309 51.348 1.00 0.00 N ATOM 399 CA GLU A 28 29.142 32.989 51.926 1.00 0.00 C ATOM 400 C GLU A 28 27.730 32.495 51.624 1.00 0.00 C ATOM 401 O GLU A 28 27.026 32.015 52.512 1.00 0.00 O ATOM 402 CB GLU A 28 29.369 33.025 53.439 1.00 0.00 C ATOM 403 CG GLU A 28 30.734 33.560 53.837 1.00 0.00 C ATOM 404 CD GLU A 28 31.422 32.691 54.872 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.712 32.014 55.644 1.00 0.00 O ATOM 406 OE2 GLU A 28 32.670 32.687 54.909 1.00 0.00 O ATOM 0 H GLU A 28 29.082 35.085 51.946 1.00 0.00 H new ATOM 0 HA GLU A 28 29.854 32.298 51.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.598 33.643 53.899 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.252 32.018 53.840 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.365 33.631 52.951 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.623 34.570 54.232 1.00 0.00 H new ATOM 413 N ALA A 29 27.323 32.617 50.365 1.00 0.00 N ATOM 414 CA ALA A 29 25.997 32.182 49.945 1.00 0.00 C ATOM 415 C ALA A 29 25.803 32.384 48.446 1.00 0.00 C ATOM 416 O ALA A 29 25.283 31.508 47.754 1.00 0.00 O ATOM 417 CB ALA A 29 24.925 32.930 50.724 1.00 0.00 C ATOM 0 H ALA A 29 27.893 33.014 49.618 1.00 0.00 H new ATOM 0 HA ALA A 29 25.907 31.116 50.156 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.940 32.595 50.400 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.044 32.731 51.789 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.023 34.000 50.542 1.00 0.00 H new ATOM 423 N PHE A 30 26.222 33.543 47.950 1.00 0.00 N ATOM 424 CA PHE A 30 26.092 33.860 46.533 1.00 0.00 C ATOM 425 C PHE A 30 27.140 34.884 46.106 1.00 0.00 C ATOM 426 O PHE A 30 27.830 35.467 46.941 1.00 0.00 O ATOM 427 CB PHE A 30 24.689 34.395 46.235 1.00 0.00 C ATOM 428 CG PHE A 30 24.272 35.520 47.137 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.833 36.780 47.001 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.320 35.319 48.123 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.451 37.818 47.830 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.933 36.353 48.955 1.00 0.00 C ATOM 433 CZ PHE A 30 23.501 37.604 48.808 1.00 0.00 C ATOM 0 H PHE A 30 26.655 34.279 48.509 1.00 0.00 H new ATOM 0 HA PHE A 30 26.253 32.944 45.965 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.651 34.736 45.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.971 33.580 46.328 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.578 36.953 46.238 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.875 34.342 48.243 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.895 38.795 47.713 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.188 36.183 49.718 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.202 38.413 49.458 1.00 0.00 H new ATOM 443 N GLY A 31 27.252 35.097 44.799 1.00 0.00 N ATOM 444 CA GLY A 31 28.218 36.050 44.283 1.00 0.00 C ATOM 445 C GLY A 31 27.881 36.516 42.880 1.00 0.00 C ATOM 446 O GLY A 31 26.858 36.125 42.318 1.00 0.00 O ATOM 0 H GLY A 31 26.692 34.627 44.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.263 36.913 44.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.208 35.595 44.283 1.00 0.00 H new ATOM 450 N PHE A 32 28.742 37.354 42.314 1.00 0.00 N ATOM 451 CA PHE A 32 28.529 37.876 40.969 1.00 0.00 C ATOM 452 C PHE A 32 29.808 37.785 40.141 1.00 0.00 C ATOM 453 O PHE A 32 30.914 37.856 40.679 1.00 0.00 O ATOM 454 CB PHE A 32 28.052 39.328 41.033 1.00 0.00 C ATOM 455 CG PHE A 32 26.794 39.511 41.833 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.839 39.568 43.216 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.566 39.625 41.201 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.683 39.736 43.956 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.407 39.794 41.935 1.00 0.00 C ATOM 460 CZ PHE A 32 24.465 39.849 43.314 1.00 0.00 C ATOM 0 H PHE A 32 29.594 37.687 42.765 1.00 0.00 H new ATOM 0 HA PHE A 32 27.762 37.269 40.488 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.841 39.943 41.466 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.885 39.692 40.019 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.789 39.480 43.723 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.514 39.581 40.123 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.732 39.779 45.034 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.456 39.883 41.430 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.560 39.980 43.889 1.00 0.00 H new ATOM 470 N ILE A 33 29.648 37.628 38.832 1.00 0.00 N ATOM 471 CA ILE A 33 30.789 37.528 37.930 1.00 0.00 C ATOM 472 C ILE A 33 30.781 38.659 36.907 1.00 0.00 C ATOM 473 O ILE A 33 29.724 39.078 36.439 1.00 0.00 O ATOM 474 CB ILE A 33 30.802 36.179 37.187 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.842 35.022 38.187 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.990 36.109 36.239 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.852 33.921 37.877 1.00 0.00 C ATOM 0 H ILE A 33 28.740 37.567 38.372 1.00 0.00 H new ATOM 0 HA ILE A 33 31.686 37.604 38.545 1.00 0.00 H new ATOM 0 HB ILE A 33 29.888 36.095 36.600 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.847 34.601 38.204 1.00 0.00 H new ATOM 0 HG13 ILE A 33 30.642 35.409 39.186 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.986 35.150 35.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.921 36.916 35.509 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.915 36.211 36.807 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.936 33.134 38.627 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.841 34.327 37.889 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.065 33.507 36.891 1.00 0.00 H new ATOM 489 N GLU A 34 31.970 39.147 36.564 1.00 0.00 N ATOM 490 CA GLU A 34 32.099 40.229 35.596 1.00 0.00 C ATOM 491 C GLU A 34 32.125 39.684 34.171 1.00 0.00 C ATOM 492 O GLU A 34 32.977 38.865 33.823 1.00 0.00 O ATOM 493 CB GLU A 34 33.370 41.037 35.867 1.00 0.00 C ATOM 494 CG GLU A 34 33.103 42.416 36.447 1.00 0.00 C ATOM 495 CD GLU A 34 34.377 43.188 36.726 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.124 42.791 37.644 1.00 0.00 O ATOM 497 OE2 GLU A 34 34.628 44.191 36.025 1.00 0.00 O ATOM 0 H GLU A 34 32.856 38.810 36.942 1.00 0.00 H new ATOM 0 HA GLU A 34 31.232 40.882 35.702 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.005 40.479 36.555 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.927 41.145 34.936 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.483 42.984 35.753 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.535 42.313 37.372 1.00 0.00 H new ATOM 601 N GLU A 41 26.147 41.783 34.356 1.00 0.00 N ATOM 602 CA GLU A 41 26.459 40.856 35.437 1.00 0.00 C ATOM 603 C GLU A 41 25.319 39.864 35.650 1.00 0.00 C ATOM 604 O GLU A 41 24.216 40.051 35.135 1.00 0.00 O ATOM 605 CB GLU A 41 26.732 41.622 36.734 1.00 0.00 C ATOM 606 CG GLU A 41 25.524 42.380 37.258 1.00 0.00 C ATOM 607 CD GLU A 41 25.882 43.758 37.779 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.664 43.840 38.750 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.380 44.754 37.218 1.00 0.00 O ATOM 0 HA GLU A 41 27.354 40.300 35.157 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.069 40.920 37.497 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.547 42.326 36.566 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.787 42.477 36.461 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.056 41.804 38.056 1.00 0.00 H new ATOM 616 N ILE A 42 25.593 38.810 36.412 1.00 0.00 N ATOM 617 CA ILE A 42 24.591 37.790 36.693 1.00 0.00 C ATOM 618 C ILE A 42 24.681 37.315 38.139 1.00 0.00 C ATOM 619 O ILE A 42 25.655 37.597 38.837 1.00 0.00 O ATOM 620 CB ILE A 42 24.744 36.577 35.756 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.836 35.640 36.273 1.00 0.00 C ATOM 622 CG2 ILE A 42 25.060 37.038 34.341 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.173 36.320 36.472 1.00 0.00 C ATOM 0 H ILE A 42 26.501 38.641 36.846 1.00 0.00 H new ATOM 0 HA ILE A 42 23.617 38.249 36.523 1.00 0.00 H new ATOM 0 HB ILE A 42 23.802 36.030 35.737 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.513 35.207 37.220 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.958 34.815 35.571 1.00 0.00 H new ATOM 0 HG21 ILE A 42 25.165 36.170 33.690 1.00 0.00 H new ATOM 0 HG22 ILE A 42 24.251 37.670 33.975 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.991 37.605 34.342 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.899 35.595 36.840 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.518 36.729 35.522 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.067 37.127 37.197 1.00 0.00 H new ATOM 635 N PHE A 43 23.659 36.591 38.583 1.00 0.00 N ATOM 636 CA PHE A 43 23.622 36.076 39.947 1.00 0.00 C ATOM 637 C PHE A 43 23.716 34.553 39.955 1.00 0.00 C ATOM 638 O PHE A 43 22.918 33.867 39.316 1.00 0.00 O ATOM 639 CB PHE A 43 22.339 36.523 40.649 1.00 0.00 C ATOM 640 CG PHE A 43 22.182 35.954 42.030 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.599 34.711 42.220 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.619 36.661 43.139 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.453 34.186 43.490 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.476 36.140 44.412 1.00 0.00 C ATOM 645 CZ PHE A 43 21.893 34.900 44.587 1.00 0.00 C ATOM 0 H PHE A 43 22.845 36.348 38.018 1.00 0.00 H new ATOM 0 HA PHE A 43 24.480 36.479 40.485 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.328 37.611 40.710 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.482 36.229 40.044 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.255 34.146 41.366 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.077 37.630 43.007 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.995 33.217 43.625 1.00 0.00 H new ATOM 0 HE2 PHE A 43 22.820 36.702 45.268 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.782 34.490 45.580 1.00 0.00 H new ATOM 655 N PHE A 44 24.697 34.030 40.683 1.00 0.00 N ATOM 656 CA PHE A 44 24.897 32.589 40.774 1.00 0.00 C ATOM 657 C PHE A 44 24.989 32.143 42.231 1.00 0.00 C ATOM 658 O PHE A 44 25.675 32.768 43.041 1.00 0.00 O ATOM 659 CB PHE A 44 26.167 32.180 40.023 1.00 0.00 C ATOM 660 CG PHE A 44 27.433 32.578 40.726 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.993 33.828 40.519 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.065 31.701 41.593 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.158 34.198 41.164 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.230 32.065 42.241 1.00 0.00 C ATOM 665 CZ PHE A 44 29.778 33.314 42.025 1.00 0.00 C ATOM 0 H PHE A 44 25.366 34.583 41.219 1.00 0.00 H new ATOM 0 HA PHE A 44 24.038 32.099 40.316 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.164 31.099 39.881 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.154 32.631 39.031 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.513 34.522 39.845 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.642 30.722 41.764 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.583 35.177 40.995 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.712 31.373 42.916 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.690 33.599 42.529 1.00 0.00 H new ATOM 675 N HIS A 45 24.293 31.059 42.557 1.00 0.00 N ATOM 676 CA HIS A 45 24.295 30.529 43.916 1.00 0.00 C ATOM 677 C HIS A 45 25.368 29.456 44.078 1.00 0.00 C ATOM 678 O HIS A 45 25.602 28.656 43.172 1.00 0.00 O ATOM 679 CB HIS A 45 22.923 29.952 44.263 1.00 0.00 C ATOM 680 CG HIS A 45 22.465 30.288 45.649 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.717 29.485 46.741 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.768 31.349 46.118 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.194 30.036 47.821 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.612 31.169 47.470 1.00 0.00 N ATOM 0 H HIS A 45 23.720 30.530 41.899 1.00 0.00 H new ATOM 0 HA HIS A 45 24.519 31.348 44.599 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.190 30.324 43.547 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.955 28.868 44.153 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.402 32.183 45.537 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.235 29.630 48.821 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.126 31.806 48.101 1.00 0.00 H new ATOM 692 N TYR A 46 26.015 29.445 45.238 1.00 0.00 N ATOM 693 CA TYR A 46 27.065 28.472 45.518 1.00 0.00 C ATOM 694 C TYR A 46 26.536 27.047 45.386 1.00 0.00 C ATOM 695 O TYR A 46 27.291 26.117 45.101 1.00 0.00 O ATOM 696 CB TYR A 46 27.630 28.690 46.923 1.00 0.00 C ATOM 697 CG TYR A 46 28.721 29.735 46.981 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.420 31.088 46.873 1.00 0.00 C ATOM 699 CD2 TYR A 46 30.051 29.371 47.144 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.413 32.047 46.925 1.00 0.00 C ATOM 701 CE2 TYR A 46 31.051 30.323 47.199 1.00 0.00 C ATOM 702 CZ TYR A 46 30.727 31.659 47.089 1.00 0.00 C ATOM 703 OH TYR A 46 31.720 32.611 47.141 1.00 0.00 O ATOM 0 H TYR A 46 25.831 30.098 45.999 1.00 0.00 H new ATOM 0 HA TYR A 46 27.861 28.614 44.787 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.820 28.985 47.590 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.023 27.745 47.298 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.392 31.395 46.746 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.308 28.326 47.229 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.162 33.094 46.838 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.080 30.023 47.327 1.00 0.00 H new ATOM 0 HH TYR A 46 31.568 33.200 47.909 1.00 0.00 H new ATOM 713 N SER A 47 25.234 26.884 45.594 1.00 0.00 N ATOM 714 CA SER A 47 24.603 25.573 45.502 1.00 0.00 C ATOM 715 C SER A 47 24.755 24.995 44.098 1.00 0.00 C ATOM 716 O SER A 47 24.922 23.788 43.928 1.00 0.00 O ATOM 717 CB SER A 47 23.121 25.670 45.868 1.00 0.00 C ATOM 718 OG SER A 47 22.329 25.939 44.724 1.00 0.00 O ATOM 0 H SER A 47 24.595 27.644 45.828 1.00 0.00 H new ATOM 0 HA SER A 47 25.101 24.907 46.207 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.795 24.737 46.328 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.977 26.458 46.607 1.00 0.00 H new ATOM 0 HG SER A 47 21.386 25.995 44.985 1.00 0.00 H new ATOM 724 N GLU A 48 24.695 25.866 43.096 1.00 0.00 N ATOM 725 CA GLU A 48 24.825 25.443 41.707 1.00 0.00 C ATOM 726 C GLU A 48 26.292 25.385 41.291 1.00 0.00 C ATOM 727 O GLU A 48 26.664 24.634 40.389 1.00 0.00 O ATOM 728 CB GLU A 48 24.059 26.395 40.786 1.00 0.00 C ATOM 729 CG GLU A 48 22.635 25.951 40.500 1.00 0.00 C ATOM 730 CD GLU A 48 21.601 26.882 41.103 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.249 27.883 40.443 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.144 26.611 42.233 1.00 0.00 O ATOM 0 H GLU A 48 24.557 26.869 43.220 1.00 0.00 H new ATOM 0 HA GLU A 48 24.400 24.443 41.617 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.037 27.386 41.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.598 26.487 39.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.485 25.897 39.422 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.486 24.945 40.893 1.00 0.00 H new ATOM 739 N PHE A 49 27.121 26.184 41.954 1.00 0.00 N ATOM 740 CA PHE A 49 28.547 26.226 41.653 1.00 0.00 C ATOM 741 C PHE A 49 29.150 24.825 41.681 1.00 0.00 C ATOM 742 O PHE A 49 28.969 24.077 42.642 1.00 0.00 O ATOM 743 CB PHE A 49 29.275 27.127 42.653 1.00 0.00 C ATOM 744 CG PHE A 49 30.771 27.076 42.527 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.422 27.801 41.542 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.526 26.303 43.394 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.798 27.756 41.423 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.903 26.255 43.281 1.00 0.00 C ATOM 749 CZ PHE A 49 33.539 26.982 42.294 1.00 0.00 C ATOM 0 H PHE A 49 26.830 26.811 42.704 1.00 0.00 H new ATOM 0 HA PHE A 49 28.669 26.635 40.650 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.941 28.155 42.513 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.993 26.835 43.665 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.847 28.409 40.859 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.033 25.732 44.167 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.293 28.325 40.650 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.481 25.650 43.964 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.615 26.945 42.203 1.00 0.00 H new ATOM 759 N LYS A 50 29.869 24.475 40.619 1.00 0.00 N ATOM 760 CA LYS A 50 30.501 23.165 40.520 1.00 0.00 C ATOM 761 C LYS A 50 32.018 23.297 40.444 1.00 0.00 C ATOM 762 O LYS A 50 32.607 23.192 39.368 1.00 0.00 O ATOM 763 CB LYS A 50 29.981 22.417 39.290 1.00 0.00 C ATOM 764 CG LYS A 50 28.470 22.469 39.141 1.00 0.00 C ATOM 765 CD LYS A 50 27.769 21.915 40.370 1.00 0.00 C ATOM 766 CE LYS A 50 28.084 20.441 40.575 1.00 0.00 C ATOM 767 NZ LYS A 50 26.854 19.641 40.831 1.00 0.00 N ATOM 0 H LYS A 50 30.028 25.081 39.814 1.00 0.00 H new ATOM 0 HA LYS A 50 30.248 22.599 41.416 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.441 22.840 38.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.296 21.375 39.348 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.155 23.499 38.975 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.170 21.898 38.262 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.076 22.479 41.250 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.692 22.047 40.266 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.593 20.052 39.693 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.771 20.330 41.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.111 18.642 40.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.382 19.995 41.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.209 19.726 40.019 1.00 0.00 H new ATOM 781 N GLY A 51 32.647 23.527 41.593 1.00 0.00 N ATOM 782 CA GLY A 51 34.090 23.668 41.633 1.00 0.00 C ATOM 783 C GLY A 51 34.662 23.385 43.009 1.00 0.00 C ATOM 784 O GLY A 51 34.225 22.459 43.692 1.00 0.00 O ATOM 0 H GLY A 51 32.182 23.618 42.496 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.539 22.988 40.909 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.362 24.679 41.331 1.00 0.00 H new ATOM 788 N ASP A 52 35.643 24.183 43.415 1.00 0.00 N ATOM 789 CA ASP A 52 36.276 24.014 44.718 1.00 0.00 C ATOM 790 C ASP A 52 35.703 24.998 45.733 1.00 0.00 C ATOM 791 O ASP A 52 36.192 26.121 45.870 1.00 0.00 O ATOM 792 CB ASP A 52 37.789 24.206 44.602 1.00 0.00 C ATOM 793 CG ASP A 52 38.433 23.186 43.683 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.301 21.975 43.956 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.069 23.600 42.691 1.00 0.00 O ATOM 0 H ASP A 52 36.017 24.953 42.861 1.00 0.00 H new ATOM 0 HA ASP A 52 36.071 23.001 45.065 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.998 25.209 44.230 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.239 24.134 45.592 1.00 0.00 H new ATOM 800 N LEU A 53 34.663 24.572 46.440 1.00 0.00 N ATOM 801 CA LEU A 53 34.021 25.415 47.442 1.00 0.00 C ATOM 802 C LEU A 53 34.999 25.780 48.554 1.00 0.00 C ATOM 803 O LEU A 53 34.850 26.809 49.212 1.00 0.00 O ATOM 804 CB LEU A 53 32.803 24.703 48.033 1.00 0.00 C ATOM 805 CG LEU A 53 31.531 25.543 48.159 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.816 26.834 48.911 1.00 0.00 C ATOM 807 CD2 LEU A 53 30.950 25.840 46.785 1.00 0.00 C ATOM 0 H LEU A 53 34.246 23.647 46.338 1.00 0.00 H new ATOM 0 HA LEU A 53 33.695 26.333 46.953 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.580 23.833 47.415 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.069 24.332 49.023 1.00 0.00 H new ATOM 0 HG LEU A 53 30.796 24.972 48.726 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.899 27.419 48.991 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.185 26.600 49.909 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.568 27.410 48.372 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.046 26.438 46.894 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.680 26.391 46.192 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.707 24.904 46.283 1.00 0.00 H new ATOM 819 N GLU A 54 36.001 24.930 48.756 1.00 0.00 N ATOM 820 CA GLU A 54 37.005 25.165 49.788 1.00 0.00 C ATOM 821 C GLU A 54 38.096 26.104 49.282 1.00 0.00 C ATOM 822 O GLU A 54 38.564 26.981 50.009 1.00 0.00 O ATOM 823 CB GLU A 54 37.625 23.841 50.238 1.00 0.00 C ATOM 824 CG GLU A 54 38.298 23.071 49.114 1.00 0.00 C ATOM 825 CD GLU A 54 38.127 21.570 49.251 1.00 0.00 C ATOM 826 OE1 GLU A 54 37.772 21.112 50.357 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.347 20.854 48.252 1.00 0.00 O ATOM 0 H GLU A 54 36.139 24.074 48.220 1.00 0.00 H new ATOM 0 HA GLU A 54 36.511 25.635 50.639 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.358 24.040 51.020 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.848 23.217 50.680 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.884 23.394 48.159 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.361 23.312 49.099 1.00 0.00 H new ATOM 834 N THR A 55 38.498 25.914 48.029 1.00 0.00 N ATOM 835 CA THR A 55 39.535 26.742 47.425 1.00 0.00 C ATOM 836 C THR A 55 38.996 27.507 46.223 1.00 0.00 C ATOM 837 O THR A 55 39.062 27.030 45.089 1.00 0.00 O ATOM 838 CB THR A 55 40.742 25.895 46.981 1.00 0.00 C ATOM 839 OG1 THR A 55 40.338 24.949 45.985 1.00 0.00 O ATOM 840 CG2 THR A 55 41.354 25.161 48.166 1.00 0.00 C ATOM 0 H THR A 55 38.121 25.194 47.413 1.00 0.00 H new ATOM 0 HA THR A 55 39.859 27.450 48.188 1.00 0.00 H new ATOM 0 HB THR A 55 41.492 26.565 46.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.012 25.426 45.194 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.205 24.569 47.828 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.688 25.885 48.909 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.608 24.502 48.611 1.00 0.00 H new ATOM 848 N LEU A 56 38.463 28.698 46.475 1.00 0.00 N ATOM 849 CA LEU A 56 37.913 29.531 45.412 1.00 0.00 C ATOM 850 C LEU A 56 38.179 31.008 45.684 1.00 0.00 C ATOM 851 O LEU A 56 37.301 31.729 46.159 1.00 0.00 O ATOM 852 CB LEU A 56 36.409 29.289 45.274 1.00 0.00 C ATOM 853 CG LEU A 56 35.684 30.143 44.233 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.110 29.747 42.828 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.176 30.013 44.392 1.00 0.00 C ATOM 0 H LEU A 56 38.400 29.108 47.407 1.00 0.00 H new ATOM 0 HA LEU A 56 38.406 29.258 44.479 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.251 28.239 45.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.943 29.461 46.244 1.00 0.00 H new ATOM 0 HG LEU A 56 35.957 31.186 44.393 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.584 30.365 42.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.185 29.893 42.719 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.867 28.698 42.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.677 30.628 43.643 1.00 0.00 H new ATOM 0 HD22 LEU A 56 33.885 28.971 44.259 1.00 0.00 H new ATOM 0 HD23 LEU A 56 33.885 30.347 45.388 1.00 0.00 H new ATOM 867 N GLN A 57 39.394 31.451 45.380 1.00 0.00 N ATOM 868 CA GLN A 57 39.775 32.843 45.591 1.00 0.00 C ATOM 869 C GLN A 57 41.038 33.186 44.809 1.00 0.00 C ATOM 870 O GLN A 57 41.798 32.311 44.394 1.00 0.00 O ATOM 871 CB GLN A 57 39.993 33.113 47.080 1.00 0.00 C ATOM 872 CG GLN A 57 38.824 33.820 47.748 1.00 0.00 C ATOM 873 CD GLN A 57 39.178 34.368 49.116 1.00 0.00 C ATOM 874 OE1 GLN A 57 40.349 34.590 49.425 1.00 0.00 O ATOM 875 NE2 GLN A 57 38.165 34.591 49.945 1.00 0.00 N ATOM 0 H GLN A 57 40.132 30.867 44.987 1.00 0.00 H new ATOM 0 HA GLN A 57 38.964 33.475 45.229 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.174 32.167 47.590 1.00 0.00 H new ATOM 0 HB3 GLN A 57 40.891 33.718 47.203 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.486 34.637 47.110 1.00 0.00 H new ATOM 0 HG3 GLN A 57 37.990 33.124 47.844 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.210 34.393 49.648 1.00 0.00 H new ATOM 0 HE22 GLN A 57 38.342 34.961 50.879 1.00 0.00 H new ATOM 884 N PRO A 58 41.270 34.491 44.602 1.00 0.00 N ATOM 885 CA PRO A 58 40.373 35.542 45.091 1.00 0.00 C ATOM 886 C PRO A 58 39.042 35.560 44.347 1.00 0.00 C ATOM 887 O PRO A 58 38.069 36.152 44.811 1.00 0.00 O ATOM 888 CB PRO A 58 41.154 36.830 44.821 1.00 0.00 C ATOM 889 CG PRO A 58 42.067 36.490 43.693 1.00 0.00 C ATOM 890 CD PRO A 58 42.426 35.041 43.874 1.00 0.00 C ATOM 0 HA PRO A 58 40.111 35.399 46.139 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.486 37.650 44.556 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.713 37.146 45.702 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.579 36.654 42.732 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.958 37.118 43.709 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.573 34.541 42.917 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.350 34.924 44.440 1.00 0.00 H new ATOM 898 N GLY A 59 39.007 34.907 43.189 1.00 0.00 N ATOM 899 CA GLY A 59 37.790 34.861 42.400 1.00 0.00 C ATOM 900 C GLY A 59 37.854 33.824 41.296 1.00 0.00 C ATOM 901 O GLY A 59 36.914 33.051 41.106 1.00 0.00 O ATOM 0 H GLY A 59 39.800 34.409 42.784 1.00 0.00 H new ATOM 0 HA2 GLY A 59 36.945 34.641 43.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.607 35.842 41.962 1.00 0.00 H new ATOM 905 N ASP A 60 38.964 33.806 40.566 1.00 0.00 N ATOM 906 CA ASP A 60 39.147 32.857 39.475 1.00 0.00 C ATOM 907 C ASP A 60 38.093 33.064 38.392 1.00 0.00 C ATOM 908 O ASP A 60 37.107 33.773 38.598 1.00 0.00 O ATOM 909 CB ASP A 60 39.079 31.423 40.002 1.00 0.00 C ATOM 910 CG ASP A 60 40.390 30.681 39.833 1.00 0.00 C ATOM 911 OD1 ASP A 60 40.802 30.458 38.675 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.006 30.325 40.859 1.00 0.00 O ATOM 0 H ASP A 60 39.751 34.439 40.711 1.00 0.00 H new ATOM 0 HA ASP A 60 40.130 33.029 39.037 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.808 31.440 41.058 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.290 30.884 39.478 1.00 0.00 H new ATOM 917 N ASP A 61 38.307 32.442 37.238 1.00 0.00 N ATOM 918 CA ASP A 61 37.376 32.559 36.122 1.00 0.00 C ATOM 919 C ASP A 61 36.341 31.438 36.158 1.00 0.00 C ATOM 920 O ASP A 61 36.617 30.340 36.643 1.00 0.00 O ATOM 921 CB ASP A 61 38.133 32.528 34.793 1.00 0.00 C ATOM 922 CG ASP A 61 39.039 33.730 34.615 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.272 34.450 35.609 1.00 0.00 O ATOM 924 OD2 ASP A 61 39.516 33.951 33.482 1.00 0.00 O ATOM 0 H ASP A 61 39.117 31.851 37.051 1.00 0.00 H new ATOM 0 HA ASP A 61 36.856 33.513 36.213 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.728 31.617 34.738 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.418 32.491 33.971 1.00 0.00 H new ATOM 929 N VAL A 62 35.149 31.723 35.643 1.00 0.00 N ATOM 930 CA VAL A 62 34.073 30.739 35.616 1.00 0.00 C ATOM 931 C VAL A 62 33.266 30.843 34.328 1.00 0.00 C ATOM 932 O VAL A 62 33.388 31.816 33.584 1.00 0.00 O ATOM 933 CB VAL A 62 33.126 30.911 36.819 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.881 30.719 38.125 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.455 32.276 36.777 1.00 0.00 C ATOM 0 H VAL A 62 34.904 32.627 35.239 1.00 0.00 H new ATOM 0 HA VAL A 62 34.541 29.756 35.669 1.00 0.00 H new ATOM 0 HB VAL A 62 32.350 30.148 36.761 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.196 30.844 38.963 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.310 29.717 38.153 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.679 31.458 38.196 1.00 0.00 H new ATOM 0 HG21 VAL A 62 31.790 32.381 37.634 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.215 33.056 36.810 1.00 0.00 H new ATOM 0 HG23 VAL A 62 31.879 32.370 35.857 1.00 0.00 H new ATOM 945 N GLU A 63 32.440 29.834 34.070 1.00 0.00 N ATOM 946 CA GLU A 63 31.612 29.813 32.870 1.00 0.00 C ATOM 947 C GLU A 63 30.177 29.417 33.206 1.00 0.00 C ATOM 948 O GLU A 63 29.932 28.676 34.159 1.00 0.00 O ATOM 949 CB GLU A 63 32.192 28.841 31.840 1.00 0.00 C ATOM 950 CG GLU A 63 31.542 28.946 30.471 1.00 0.00 C ATOM 951 CD GLU A 63 30.597 27.795 30.185 1.00 0.00 C ATOM 952 OE1 GLU A 63 29.912 27.342 31.126 1.00 0.00 O ATOM 953 OE2 GLU A 63 30.541 27.348 29.020 1.00 0.00 O ATOM 0 H GLU A 63 32.326 29.021 34.675 1.00 0.00 H new ATOM 0 HA GLU A 63 31.605 30.818 32.447 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.262 29.026 31.740 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.078 27.822 32.210 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.995 29.886 30.404 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.318 28.973 29.706 1.00 0.00 H new ATOM 960 N PHE A 64 29.231 29.917 32.418 1.00 0.00 N ATOM 961 CA PHE A 64 27.820 29.618 32.632 1.00 0.00 C ATOM 962 C PHE A 64 27.024 29.799 31.343 1.00 0.00 C ATOM 963 O PHE A 64 27.563 30.224 30.320 1.00 0.00 O ATOM 964 CB PHE A 64 27.247 30.516 33.729 1.00 0.00 C ATOM 965 CG PHE A 64 27.540 31.975 33.523 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.768 32.735 32.660 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.588 32.586 34.194 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.036 34.078 32.468 1.00 0.00 C ATOM 969 CE2 PHE A 64 28.860 33.928 34.006 1.00 0.00 C ATOM 970 CZ PHE A 64 28.083 34.675 33.143 1.00 0.00 C ATOM 0 H PHE A 64 29.416 30.531 31.625 1.00 0.00 H new ATOM 0 HA PHE A 64 27.739 28.577 32.945 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.167 30.374 33.777 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.653 30.204 34.691 1.00 0.00 H new ATOM 0 HD1 PHE A 64 25.947 32.273 32.131 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.199 32.007 34.871 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.427 34.659 31.791 1.00 0.00 H new ATOM 0 HE2 PHE A 64 29.680 34.392 34.534 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.293 35.724 32.996 1.00 0.00 H new ATOM 980 N THR A 65 25.736 29.474 31.399 1.00 0.00 N ATOM 981 CA THR A 65 24.865 29.599 30.237 1.00 0.00 C ATOM 982 C THR A 65 23.562 30.302 30.600 1.00 0.00 C ATOM 983 O THR A 65 22.749 29.770 31.356 1.00 0.00 O ATOM 984 CB THR A 65 24.540 28.222 29.628 1.00 0.00 C ATOM 985 OG1 THR A 65 25.751 27.502 29.370 1.00 0.00 O ATOM 986 CG2 THR A 65 23.750 28.374 28.337 1.00 0.00 C ATOM 0 H THR A 65 25.273 29.122 32.237 1.00 0.00 H new ATOM 0 HA THR A 65 25.404 30.196 29.501 1.00 0.00 H new ATOM 0 HB THR A 65 23.933 27.667 30.344 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.536 26.627 28.985 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.532 27.388 27.926 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.815 28.896 28.542 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.335 28.946 27.617 1.00 0.00 H new ATOM 994 N ILE A 66 23.370 31.499 30.056 1.00 0.00 N ATOM 995 CA ILE A 66 22.164 32.273 30.322 1.00 0.00 C ATOM 996 C ILE A 66 20.962 31.688 29.588 1.00 0.00 C ATOM 997 O ILE A 66 20.945 31.615 28.359 1.00 0.00 O ATOM 998 CB ILE A 66 22.337 33.746 29.906 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.580 34.343 30.568 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.098 34.549 30.272 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.523 34.334 32.080 1.00 0.00 C ATOM 0 H ILE A 66 24.034 31.954 29.429 1.00 0.00 H new ATOM 0 HA ILE A 66 21.990 32.225 31.397 1.00 0.00 H new ATOM 0 HB ILE A 66 22.468 33.790 28.825 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.458 33.786 30.242 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.708 35.369 30.223 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.236 35.588 29.972 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.231 34.135 29.758 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.938 34.501 31.349 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.437 34.772 32.481 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.664 34.916 32.415 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.427 33.308 32.434 1.00 0.00 H new ATOM 1013 N LYS A 67 19.955 31.272 30.350 1.00 0.00 N ATOM 1014 CA LYS A 67 18.746 30.696 29.774 1.00 0.00 C ATOM 1015 C LYS A 67 17.591 31.691 29.825 1.00 0.00 C ATOM 1016 O LYS A 67 17.702 32.754 30.436 1.00 0.00 O ATOM 1017 CB LYS A 67 18.363 29.414 30.518 1.00 0.00 C ATOM 1018 CG LYS A 67 19.526 28.458 30.722 1.00 0.00 C ATOM 1019 CD LYS A 67 20.129 28.024 29.397 1.00 0.00 C ATOM 1020 CE LYS A 67 20.337 26.518 29.345 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.554 26.035 27.953 1.00 0.00 N ATOM 0 H LYS A 67 19.953 31.323 31.369 1.00 0.00 H new ATOM 0 HA LYS A 67 18.949 30.456 28.730 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.946 29.679 31.490 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.577 28.903 29.963 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.291 28.939 31.331 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.185 27.581 31.272 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.475 28.330 28.581 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.083 28.529 29.247 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.195 26.249 29.961 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.468 26.017 29.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.692 25.004 27.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.725 26.269 27.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 21.398 26.494 27.554 1.00 0.00 H new ATOM 1129 N VAL A 74 19.981 34.373 35.725 1.00 0.00 N ATOM 1130 CA VAL A 74 20.864 33.704 36.672 1.00 0.00 C ATOM 1131 C VAL A 74 21.650 32.586 35.995 1.00 0.00 C ATOM 1132 O VAL A 74 21.139 31.903 35.108 1.00 0.00 O ATOM 1133 CB VAL A 74 20.075 33.117 37.857 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.399 34.225 38.650 1.00 0.00 C ATOM 1135 CG2 VAL A 74 19.053 32.102 37.365 1.00 0.00 C ATOM 0 HA VAL A 74 21.558 34.458 37.045 1.00 0.00 H new ATOM 0 HB VAL A 74 20.774 32.604 38.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.846 33.791 39.483 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.154 34.911 39.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.711 34.768 38.002 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.504 31.697 38.215 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.357 32.589 36.682 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.565 31.293 36.845 1.00 0.00 H new ATOM 1145 N ALA A 75 22.896 32.405 36.420 1.00 0.00 N ATOM 1146 CA ALA A 75 23.752 31.369 35.857 1.00 0.00 C ATOM 1147 C ALA A 75 23.531 30.033 36.559 1.00 0.00 C ATOM 1148 O ALA A 75 23.778 29.901 37.758 1.00 0.00 O ATOM 1149 CB ALA A 75 25.214 31.782 35.953 1.00 0.00 C ATOM 0 H ALA A 75 23.335 32.963 37.153 1.00 0.00 H new ATOM 0 HA ALA A 75 23.489 31.246 34.806 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.842 30.999 35.529 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.367 32.709 35.401 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.481 31.935 36.999 1.00 0.00 H new ATOM 1155 N THR A 76 23.063 29.044 35.804 1.00 0.00 N ATOM 1156 CA THR A 76 22.806 27.719 36.354 1.00 0.00 C ATOM 1157 C THR A 76 23.986 26.784 36.109 1.00 0.00 C ATOM 1158 O THR A 76 24.546 26.750 35.013 1.00 0.00 O ATOM 1159 CB THR A 76 21.536 27.094 35.745 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.812 28.082 35.004 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.645 26.513 36.832 1.00 0.00 C ATOM 0 H THR A 76 22.854 29.136 34.810 1.00 0.00 H new ATOM 0 HA THR A 76 22.661 27.845 37.427 1.00 0.00 H new ATOM 0 HB THR A 76 21.838 26.288 35.076 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.007 27.677 34.619 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.755 26.077 36.378 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.190 25.741 37.375 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.351 27.304 37.522 1.00 0.00 H new ATOM 1169 N ASP A 77 24.357 26.027 37.135 1.00 0.00 N ATOM 1170 CA ASP A 77 25.470 25.090 37.031 1.00 0.00 C ATOM 1171 C ASP A 77 26.728 25.794 36.533 1.00 0.00 C ATOM 1172 O ASP A 77 27.128 25.632 35.379 1.00 0.00 O ATOM 1173 CB ASP A 77 25.108 23.939 36.091 1.00 0.00 C ATOM 1174 CG ASP A 77 24.347 22.834 36.796 1.00 0.00 C ATOM 1175 OD1 ASP A 77 24.999 21.958 37.402 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.099 22.844 36.741 1.00 0.00 O ATOM 0 H ASP A 77 23.904 26.043 38.049 1.00 0.00 H new ATOM 0 HA ASP A 77 25.670 24.689 38.024 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.506 24.322 35.267 1.00 0.00 H new ATOM 0 HB3 ASP A 77 26.019 23.528 35.656 1.00 0.00 H new ATOM 1181 N VAL A 78 27.349 26.577 37.409 1.00 0.00 N ATOM 1182 CA VAL A 78 28.562 27.306 37.059 1.00 0.00 C ATOM 1183 C VAL A 78 29.791 26.412 37.168 1.00 0.00 C ATOM 1184 O VAL A 78 29.998 25.745 38.182 1.00 0.00 O ATOM 1185 CB VAL A 78 28.756 28.540 37.961 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.053 29.255 37.616 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.569 29.482 37.836 1.00 0.00 C ATOM 0 H VAL A 78 27.032 26.723 38.367 1.00 0.00 H new ATOM 0 HA VAL A 78 28.446 27.635 36.026 1.00 0.00 H new ATOM 0 HB VAL A 78 28.818 28.206 38.997 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.173 30.124 38.263 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.893 28.576 37.761 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.024 29.579 36.576 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.723 30.348 38.480 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.473 29.811 36.801 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.659 28.963 38.137 1.00 0.00 H new ATOM 1197 N ARG A 79 30.605 26.403 36.117 1.00 0.00 N ATOM 1198 CA ARG A 79 31.815 25.589 36.094 1.00 0.00 C ATOM 1199 C ARG A 79 33.059 26.468 36.013 1.00 0.00 C ATOM 1200 O ARG A 79 33.173 27.322 35.132 1.00 0.00 O ATOM 1201 CB ARG A 79 31.782 24.622 34.910 1.00 0.00 C ATOM 1202 CG ARG A 79 30.691 23.569 35.014 1.00 0.00 C ATOM 1203 CD ARG A 79 29.652 23.733 33.915 1.00 0.00 C ATOM 1204 NE ARG A 79 30.102 23.164 32.647 1.00 0.00 N ATOM 1205 CZ ARG A 79 29.337 23.084 31.565 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.090 23.534 31.596 1.00 0.00 N ATOM 1207 NH2 ARG A 79 29.818 22.553 30.448 1.00 0.00 N ATOM 0 H ARG A 79 30.449 26.950 35.270 1.00 0.00 H new ATOM 0 HA ARG A 79 31.856 25.016 37.020 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.640 25.191 33.991 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.749 24.125 34.831 1.00 0.00 H new ATOM 0 HG2 ARG A 79 31.135 22.576 34.951 1.00 0.00 H new ATOM 0 HG3 ARG A 79 30.207 23.640 35.988 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.723 23.251 34.219 1.00 0.00 H new ATOM 0 HD3 ARG A 79 29.432 24.792 33.779 1.00 0.00 H new ATOM 0 HE ARG A 79 31.056 22.809 32.590 1.00 0.00 H new ATOM 0 HH11 ARG A 79 27.716 23.943 32.453 1.00 0.00 H new ATOM 0 HH12 ARG A 79 27.504 23.471 30.763 1.00 0.00 H new ATOM 0 HH21 ARG A 79 30.777 22.206 30.420 1.00 0.00 H new ATOM 0 HH22 ARG A 79 29.229 22.492 29.617 1.00 0.00 H new ATOM 1221 N LEU A 80 33.990 26.254 36.937 1.00 0.00 N ATOM 1222 CA LEU A 80 35.227 27.027 36.970 1.00 0.00 C ATOM 1223 C LEU A 80 35.988 26.893 35.655 1.00 0.00 C ATOM 1224 O LEU A 80 36.098 25.801 35.097 1.00 0.00 O ATOM 1225 CB LEU A 80 36.108 26.566 38.132 1.00 0.00 C ATOM 1226 CG LEU A 80 36.072 27.437 39.389 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.682 26.697 40.569 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.799 28.752 39.148 1.00 0.00 C ATOM 0 H LEU A 80 33.912 25.552 37.673 1.00 0.00 H new ATOM 0 HA LEU A 80 34.968 28.076 37.113 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.811 25.554 38.407 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.139 26.512 37.781 1.00 0.00 H new ATOM 0 HG LEU A 80 35.031 27.658 39.624 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.648 27.332 41.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.118 25.783 40.756 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.718 26.444 40.344 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.763 29.359 40.053 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.838 28.551 38.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.317 29.290 38.331 1.00 0.00 H new ATOM 1240 N LEU A 81 36.514 28.011 35.166 1.00 0.00 N ATOM 1241 CA LEU A 81 37.269 28.018 33.917 1.00 0.00 C ATOM 1242 C LEU A 81 38.700 27.541 34.142 1.00 0.00 C ATOM 1243 O LEU A 81 39.221 27.568 35.257 1.00 0.00 O ATOM 1244 CB LEU A 81 37.277 29.423 33.312 1.00 0.00 C ATOM 1245 CG LEU A 81 36.049 29.805 32.484 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.109 31.271 32.085 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.942 28.919 31.251 1.00 0.00 C ATOM 0 H LEU A 81 36.432 28.923 35.615 1.00 0.00 H new ATOM 0 HA LEU A 81 36.783 27.332 33.223 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.383 30.145 34.122 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.160 29.520 32.681 1.00 0.00 H new ATOM 0 HG LEU A 81 35.160 29.653 33.096 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.227 31.524 31.497 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.138 31.891 32.981 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.005 31.450 31.491 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.063 29.204 30.673 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.835 29.040 30.637 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.852 27.877 31.558 1.00 0.00 H new ATOM 1259 N PRO A 82 39.352 27.095 33.059 1.00 0.00 N ATOM 1260 CA PRO A 82 40.733 26.605 33.112 1.00 0.00 C ATOM 1261 C PRO A 82 41.735 27.724 33.375 1.00 0.00 C ATOM 1262 O PRO A 82 41.438 28.898 33.156 1.00 0.00 O ATOM 1263 CB PRO A 82 40.952 26.009 31.719 1.00 0.00 C ATOM 1264 CG PRO A 82 39.991 26.734 30.841 1.00 0.00 C ATOM 1265 CD PRO A 82 38.792 27.034 31.698 1.00 0.00 C ATOM 0 HA PRO A 82 40.882 25.893 33.924 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.979 26.152 31.384 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.761 24.936 31.713 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.433 27.652 30.453 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.713 26.125 29.980 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.321 27.975 31.415 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.031 26.258 31.611 1.00 0.00 H new