USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.026) USER MOD Single : A 24 CYS SG : rot -25:sc= 0.0437 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 46 TYR OH : rot 130:sc= -0.155 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 50:sc= 1.11 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.02) 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 28.863 31.756 28.198 1.00 0.00 N ATOM 272 CA CYS A 19 29.204 33.020 28.842 1.00 0.00 C ATOM 273 C CYS A 19 30.054 32.784 30.086 1.00 0.00 C ATOM 274 O CYS A 19 29.724 31.945 30.924 1.00 0.00 O ATOM 275 CB CYS A 19 27.933 33.785 29.215 1.00 0.00 C ATOM 276 SG CYS A 19 26.839 34.125 27.816 1.00 0.00 S ATOM 0 HA CYS A 19 29.783 33.615 28.136 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.383 33.212 29.962 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.214 34.730 29.681 1.00 0.00 H new ATOM 0 HG CYS A 19 25.791 34.773 28.232 1.00 0.00 H new ATOM 282 N GLN A 20 31.149 33.529 30.198 1.00 0.00 N ATOM 283 CA GLN A 20 32.048 33.399 31.338 1.00 0.00 C ATOM 284 C GLN A 20 32.538 34.766 31.804 1.00 0.00 C ATOM 285 O GLN A 20 32.391 35.763 31.098 1.00 0.00 O ATOM 286 CB GLN A 20 33.240 32.512 30.977 1.00 0.00 C ATOM 287 CG GLN A 20 34.202 33.158 29.992 1.00 0.00 C ATOM 288 CD GLN A 20 34.450 32.298 28.769 1.00 0.00 C ATOM 289 OE1 GLN A 20 35.595 32.045 28.395 1.00 0.00 O ATOM 290 NE2 GLN A 20 33.374 31.844 28.137 1.00 0.00 N ATOM 0 H GLN A 20 31.435 34.229 29.513 1.00 0.00 H new ATOM 0 HA GLN A 20 31.494 32.935 32.154 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.782 32.257 31.888 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.872 31.578 30.553 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.802 34.122 29.678 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.151 33.354 30.492 1.00 0.00 H new ATOM 0 HE21 GLN A 20 32.443 32.078 28.482 1.00 0.00 H new ATOM 0 HE22 GLN A 20 33.478 31.261 27.307 1.00 0.00 H new ATOM 299 N GLY A 21 33.121 34.805 32.998 1.00 0.00 N ATOM 300 CA GLY A 21 33.624 36.055 33.537 1.00 0.00 C ATOM 301 C GLY A 21 34.656 35.843 34.627 1.00 0.00 C ATOM 302 O GLY A 21 35.524 34.977 34.511 1.00 0.00 O ATOM 0 H GLY A 21 33.254 33.994 33.602 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.066 36.643 32.732 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.792 36.636 33.936 1.00 0.00 H new ATOM 306 N VAL A 22 34.565 36.637 35.689 1.00 0.00 N ATOM 307 CA VAL A 22 35.499 36.532 36.804 1.00 0.00 C ATOM 308 C VAL A 22 34.794 36.771 38.135 1.00 0.00 C ATOM 309 O VAL A 22 34.067 37.751 38.298 1.00 0.00 O ATOM 310 CB VAL A 22 36.658 37.536 36.662 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.684 37.328 37.765 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.304 37.412 35.290 1.00 0.00 C ATOM 0 H VAL A 22 33.854 37.360 35.801 1.00 0.00 H new ATOM 0 HA VAL A 22 35.902 35.519 36.786 1.00 0.00 H new ATOM 0 HB VAL A 22 36.256 38.545 36.760 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.495 38.047 37.648 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.209 37.472 38.735 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.084 36.316 37.704 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.121 38.129 35.206 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.693 36.402 35.161 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.562 37.617 34.518 1.00 0.00 H new ATOM 322 N VAL A 23 35.016 35.869 39.086 1.00 0.00 N ATOM 323 CA VAL A 23 34.404 35.982 40.405 1.00 0.00 C ATOM 324 C VAL A 23 34.872 37.244 41.122 1.00 0.00 C ATOM 325 O VAL A 23 35.996 37.304 41.623 1.00 0.00 O ATOM 326 CB VAL A 23 34.727 34.757 41.280 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.963 34.823 42.594 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.411 33.470 40.533 1.00 0.00 C ATOM 0 H VAL A 23 35.615 35.052 38.968 1.00 0.00 H new ATOM 0 HA VAL A 23 33.326 36.034 40.251 1.00 0.00 H new ATOM 0 HB VAL A 23 35.793 34.765 41.507 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.204 33.949 43.199 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.245 35.727 43.134 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.892 34.840 42.392 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.645 32.615 41.167 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.352 33.450 40.274 1.00 0.00 H new ATOM 0 HG23 VAL A 23 35.008 33.422 39.623 1.00 0.00 H new ATOM 338 N CYS A 24 34.005 38.248 41.166 1.00 0.00 N ATOM 339 CA CYS A 24 34.330 39.510 41.822 1.00 0.00 C ATOM 340 C CYS A 24 33.678 39.591 43.199 1.00 0.00 C ATOM 341 O CYS A 24 34.168 40.285 44.089 1.00 0.00 O ATOM 342 CB CYS A 24 33.875 40.689 40.960 1.00 0.00 C ATOM 343 SG CYS A 24 34.331 42.308 41.624 1.00 0.00 S ATOM 0 H CYS A 24 33.072 38.214 40.756 1.00 0.00 H new ATOM 0 HA CYS A 24 35.412 39.557 41.948 1.00 0.00 H new ATOM 0 HB2 CYS A 24 34.303 40.583 39.963 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.792 40.646 40.848 1.00 0.00 H new ATOM 0 HG CYS A 24 34.469 42.225 42.914 1.00 0.00 H new ATOM 349 N ALA A 25 32.569 38.877 43.366 1.00 0.00 N ATOM 350 CA ALA A 25 31.851 38.867 44.634 1.00 0.00 C ATOM 351 C ALA A 25 32.084 37.563 45.388 1.00 0.00 C ATOM 352 O ALA A 25 32.129 36.489 44.788 1.00 0.00 O ATOM 353 CB ALA A 25 30.363 39.085 44.399 1.00 0.00 C ATOM 0 H ALA A 25 32.149 38.298 42.639 1.00 0.00 H new ATOM 0 HA ALA A 25 32.235 39.683 45.247 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.838 39.075 45.354 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.209 40.047 43.910 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.975 38.289 43.764 1.00 0.00 H new ATOM 359 N MET A 26 32.233 37.663 46.704 1.00 0.00 N ATOM 360 CA MET A 26 32.461 36.490 47.539 1.00 0.00 C ATOM 361 C MET A 26 31.546 36.504 48.759 1.00 0.00 C ATOM 362 O MET A 26 31.570 37.442 49.556 1.00 0.00 O ATOM 363 CB MET A 26 33.924 36.432 47.985 1.00 0.00 C ATOM 364 CG MET A 26 34.884 36.047 46.872 1.00 0.00 C ATOM 365 SD MET A 26 36.150 34.885 47.417 1.00 0.00 S ATOM 366 CE MET A 26 35.447 33.333 46.864 1.00 0.00 C ATOM 0 H MET A 26 32.200 38.545 47.216 1.00 0.00 H new ATOM 0 HA MET A 26 32.233 35.604 46.947 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.213 37.405 48.382 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.019 35.714 48.800 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.322 35.606 46.049 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.364 36.946 46.485 1.00 0.00 H new ATOM 0 HE1 MET A 26 36.117 32.515 47.129 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.480 33.180 47.343 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.316 33.358 45.782 1.00 0.00 H new ATOM 376 N LYS A 27 30.738 35.458 48.899 1.00 0.00 N ATOM 377 CA LYS A 27 29.815 35.349 50.022 1.00 0.00 C ATOM 378 C LYS A 27 29.648 33.895 50.451 1.00 0.00 C ATOM 379 O LYS A 27 30.177 32.986 49.812 1.00 0.00 O ATOM 380 CB LYS A 27 28.453 35.941 49.650 1.00 0.00 C ATOM 381 CG LYS A 27 27.841 36.797 50.745 1.00 0.00 C ATOM 382 CD LYS A 27 28.124 38.273 50.523 1.00 0.00 C ATOM 383 CE LYS A 27 28.456 38.980 51.828 1.00 0.00 C ATOM 384 NZ LYS A 27 27.280 39.044 52.739 1.00 0.00 N ATOM 0 H LYS A 27 30.704 34.673 48.248 1.00 0.00 H new ATOM 0 HA LYS A 27 30.233 35.910 50.858 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.562 36.543 48.748 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.767 35.129 49.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 26.764 36.633 50.777 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.239 36.491 51.712 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.955 38.384 49.826 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.256 38.746 50.063 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.273 38.458 52.326 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.806 39.990 51.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.547 39.533 53.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.509 39.564 52.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.962 38.080 52.963 1.00 0.00 H new ATOM 398 N GLU A 28 28.909 33.683 51.536 1.00 0.00 N ATOM 399 CA GLU A 28 28.674 32.338 52.048 1.00 0.00 C ATOM 400 C GLU A 28 27.280 31.847 51.666 1.00 0.00 C ATOM 401 O GLU A 28 26.633 31.130 52.429 1.00 0.00 O ATOM 402 CB GLU A 28 28.837 32.312 53.569 1.00 0.00 C ATOM 403 CG GLU A 28 30.257 32.587 54.033 1.00 0.00 C ATOM 404 CD GLU A 28 30.307 33.249 55.397 1.00 0.00 C ATOM 405 OE1 GLU A 28 29.821 32.638 56.371 1.00 0.00 O ATOM 406 OE2 GLU A 28 30.833 34.378 55.489 1.00 0.00 O ATOM 0 H GLU A 28 28.463 34.424 52.077 1.00 0.00 H new ATOM 0 HA GLU A 28 29.411 31.672 51.600 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.170 33.052 54.010 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.524 31.337 53.943 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.812 31.649 54.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.756 33.226 53.305 1.00 0.00 H new ATOM 413 N ALA A 29 26.825 32.240 50.481 1.00 0.00 N ATOM 414 CA ALA A 29 25.509 31.839 49.997 1.00 0.00 C ATOM 415 C ALA A 29 25.404 32.012 48.486 1.00 0.00 C ATOM 416 O ALA A 29 25.032 31.083 47.769 1.00 0.00 O ATOM 417 CB ALA A 29 24.422 32.639 50.699 1.00 0.00 C ATOM 0 H ALA A 29 27.348 32.835 49.838 1.00 0.00 H new ATOM 0 HA ALA A 29 25.371 30.782 50.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.445 32.329 50.328 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.475 32.461 51.773 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.566 33.701 50.500 1.00 0.00 H new ATOM 423 N PHE A 30 25.733 33.208 48.008 1.00 0.00 N ATOM 424 CA PHE A 30 25.674 33.504 46.581 1.00 0.00 C ATOM 425 C PHE A 30 26.631 34.636 46.220 1.00 0.00 C ATOM 426 O PHE A 30 27.180 35.303 47.096 1.00 0.00 O ATOM 427 CB PHE A 30 24.247 33.878 46.175 1.00 0.00 C ATOM 428 CG PHE A 30 23.601 34.868 47.101 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.083 36.164 47.198 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.510 34.504 47.875 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.491 37.076 48.051 1.00 0.00 C ATOM 432 CE2 PHE A 30 21.913 35.413 48.728 1.00 0.00 C ATOM 433 CZ PHE A 30 22.404 36.701 48.816 1.00 0.00 C ATOM 0 H PHE A 30 26.043 33.988 48.588 1.00 0.00 H new ATOM 0 HA PHE A 30 25.977 32.609 46.037 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.261 34.291 45.167 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.639 32.974 46.141 1.00 0.00 H new ATOM 0 HD1 PHE A 30 24.931 36.464 46.600 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.122 33.498 47.811 1.00 0.00 H new ATOM 0 HE1 PHE A 30 23.878 38.082 48.119 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.063 35.116 49.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 21.939 37.413 49.481 1.00 0.00 H new ATOM 443 N GLY A 31 26.827 34.846 44.922 1.00 0.00 N ATOM 444 CA GLY A 31 27.718 35.897 44.467 1.00 0.00 C ATOM 445 C GLY A 31 27.412 36.345 43.051 1.00 0.00 C ATOM 446 O GLY A 31 26.373 35.992 42.492 1.00 0.00 O ATOM 0 H GLY A 31 26.385 34.307 44.178 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.640 36.751 45.140 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.748 35.543 44.518 1.00 0.00 H new ATOM 450 N PHE A 32 28.317 37.125 42.470 1.00 0.00 N ATOM 451 CA PHE A 32 28.136 37.624 41.112 1.00 0.00 C ATOM 452 C PHE A 32 29.434 37.517 40.316 1.00 0.00 C ATOM 453 O PHE A 32 30.524 37.483 40.888 1.00 0.00 O ATOM 454 CB PHE A 32 27.661 39.078 41.139 1.00 0.00 C ATOM 455 CG PHE A 32 26.396 39.281 41.923 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.429 39.375 43.305 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.173 39.376 41.278 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.267 39.561 44.029 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.008 39.564 41.997 1.00 0.00 C ATOM 460 CZ PHE A 32 24.055 39.655 43.374 1.00 0.00 C ATOM 0 H PHE A 32 29.183 37.425 42.918 1.00 0.00 H new ATOM 0 HA PHE A 32 27.379 37.010 40.624 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.447 39.701 41.566 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.504 39.420 40.116 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.374 39.302 43.822 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.130 39.302 40.201 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.307 39.633 45.106 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.062 39.640 41.482 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.145 39.799 43.938 1.00 0.00 H new ATOM 470 N ILE A 33 29.308 37.462 38.995 1.00 0.00 N ATOM 471 CA ILE A 33 30.470 37.359 38.120 1.00 0.00 C ATOM 472 C ILE A 33 30.533 38.533 37.150 1.00 0.00 C ATOM 473 O ILE A 33 29.510 38.981 36.635 1.00 0.00 O ATOM 474 CB ILE A 33 30.455 36.044 37.318 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.420 34.843 38.266 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.668 35.969 36.403 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.403 33.794 37.874 1.00 0.00 C ATOM 0 H ILE A 33 28.413 37.487 38.506 1.00 0.00 H new ATOM 0 HA ILE A 33 31.351 37.374 38.761 1.00 0.00 H new ATOM 0 HB ILE A 33 29.557 36.021 36.701 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.409 34.385 38.297 1.00 0.00 H new ATOM 0 HG13 ILE A 33 30.199 35.193 39.275 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.644 35.034 35.843 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.652 36.809 35.709 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.578 36.010 37.001 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.433 32.972 38.590 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.407 34.236 37.871 1.00 0.00 H new ATOM 0 HD13 ILE A 33 29.635 33.416 36.878 1.00 0.00 H new ATOM 489 N GLU A 34 31.744 39.025 36.904 1.00 0.00 N ATOM 490 CA GLU A 34 31.940 40.147 35.993 1.00 0.00 C ATOM 491 C GLU A 34 32.494 39.670 34.654 1.00 0.00 C ATOM 492 O GLU A 34 33.504 38.968 34.602 1.00 0.00 O ATOM 493 CB GLU A 34 32.890 41.175 36.613 1.00 0.00 C ATOM 494 CG GLU A 34 32.264 42.547 36.800 1.00 0.00 C ATOM 495 CD GLU A 34 31.930 43.220 35.482 1.00 0.00 C ATOM 496 OE1 GLU A 34 30.832 42.964 34.946 1.00 0.00 O ATOM 497 OE2 GLU A 34 32.768 44.003 34.988 1.00 0.00 O ATOM 0 H GLU A 34 32.602 38.665 37.322 1.00 0.00 H new ATOM 0 HA GLU A 34 30.971 40.615 35.820 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.231 40.805 37.580 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.772 41.271 35.980 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.356 42.450 37.395 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.948 43.181 37.364 1.00 0.00 H new ATOM 601 N GLU A 41 26.975 41.517 34.042 1.00 0.00 N ATOM 602 CA GLU A 41 27.092 40.602 35.171 1.00 0.00 C ATOM 603 C GLU A 41 25.805 39.805 35.361 1.00 0.00 C ATOM 604 O GLU A 41 24.757 40.160 34.821 1.00 0.00 O ATOM 605 CB GLU A 41 27.421 41.374 36.450 1.00 0.00 C ATOM 606 CG GLU A 41 26.338 42.357 36.863 1.00 0.00 C ATOM 607 CD GLU A 41 26.441 43.680 36.129 1.00 0.00 C ATOM 608 OE1 GLU A 41 27.514 43.956 35.552 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.450 44.439 36.132 1.00 0.00 O ATOM 0 HA GLU A 41 27.902 39.905 34.958 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.584 40.664 37.261 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.356 41.915 36.307 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.360 41.915 36.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 26.404 42.535 37.936 1.00 0.00 H new ATOM 616 N ILE A 42 25.892 38.726 36.132 1.00 0.00 N ATOM 617 CA ILE A 42 24.735 37.879 36.395 1.00 0.00 C ATOM 618 C ILE A 42 24.757 37.346 37.823 1.00 0.00 C ATOM 619 O ILE A 42 25.772 37.432 38.514 1.00 0.00 O ATOM 620 CB ILE A 42 24.674 36.692 35.416 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.631 35.584 35.863 1.00 0.00 C ATOM 622 CG2 ILE A 42 25.009 37.150 34.005 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.067 36.041 35.987 1.00 0.00 C ATOM 0 H ILE A 42 26.752 38.418 36.586 1.00 0.00 H new ATOM 0 HA ILE A 42 23.850 38.500 36.256 1.00 0.00 H new ATOM 0 HB ILE A 42 23.660 36.293 35.416 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.298 35.193 36.825 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.580 34.761 35.150 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.961 36.299 33.325 1.00 0.00 H new ATOM 0 HG22 ILE A 42 24.292 37.908 33.689 1.00 0.00 H new ATOM 0 HG23 ILE A 42 26.014 37.572 33.988 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.689 35.205 36.307 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.418 36.405 35.021 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.131 36.843 36.722 1.00 0.00 H new ATOM 635 N PHE A 43 23.630 36.794 38.260 1.00 0.00 N ATOM 636 CA PHE A 43 23.519 36.246 39.606 1.00 0.00 C ATOM 637 C PHE A 43 23.554 34.721 39.577 1.00 0.00 C ATOM 638 O PHE A 43 22.814 34.086 38.826 1.00 0.00 O ATOM 639 CB PHE A 43 22.225 36.724 40.270 1.00 0.00 C ATOM 640 CG PHE A 43 21.953 36.070 41.594 1.00 0.00 C ATOM 641 CD1 PHE A 43 22.743 36.352 42.697 1.00 0.00 C ATOM 642 CD2 PHE A 43 20.907 35.172 41.736 1.00 0.00 C ATOM 643 CE1 PHE A 43 22.495 35.751 43.916 1.00 0.00 C ATOM 644 CE2 PHE A 43 20.654 34.567 42.953 1.00 0.00 C ATOM 645 CZ PHE A 43 21.449 34.858 44.045 1.00 0.00 C ATOM 0 H PHE A 43 22.781 36.714 37.701 1.00 0.00 H new ATOM 0 HA PHE A 43 24.370 36.601 40.187 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.276 37.804 40.411 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.388 36.529 39.599 1.00 0.00 H new ATOM 0 HD1 PHE A 43 23.562 37.050 42.603 1.00 0.00 H new ATOM 0 HD2 PHE A 43 20.282 34.942 40.886 1.00 0.00 H new ATOM 0 HE1 PHE A 43 23.119 35.979 44.768 1.00 0.00 H new ATOM 0 HE2 PHE A 43 19.836 33.868 43.050 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.253 34.388 44.998 1.00 0.00 H new ATOM 655 N PHE A 44 24.421 34.139 40.400 1.00 0.00 N ATOM 656 CA PHE A 44 24.556 32.689 40.468 1.00 0.00 C ATOM 657 C PHE A 44 24.581 32.213 41.917 1.00 0.00 C ATOM 658 O PHE A 44 24.907 32.975 42.828 1.00 0.00 O ATOM 659 CB PHE A 44 25.829 32.239 39.749 1.00 0.00 C ATOM 660 CG PHE A 44 27.089 32.569 40.498 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.584 33.863 40.511 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.778 31.585 41.188 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.742 34.170 41.199 1.00 0.00 C ATOM 664 CE2 PHE A 44 28.936 31.886 41.878 1.00 0.00 C ATOM 665 CZ PHE A 44 29.420 33.180 41.883 1.00 0.00 C ATOM 0 H PHE A 44 25.040 34.650 41.029 1.00 0.00 H new ATOM 0 HA PHE A 44 23.692 32.245 39.973 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.784 31.162 39.587 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.867 32.708 38.766 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.058 34.641 39.977 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.406 30.571 41.186 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.117 35.183 41.202 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.463 31.110 42.413 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.326 33.417 42.420 1.00 0.00 H new ATOM 675 N HIS A 45 24.235 30.946 42.124 1.00 0.00 N ATOM 676 CA HIS A 45 24.218 30.366 43.462 1.00 0.00 C ATOM 677 C HIS A 45 25.343 29.349 43.628 1.00 0.00 C ATOM 678 O HIS A 45 25.511 28.454 42.799 1.00 0.00 O ATOM 679 CB HIS A 45 22.869 29.702 43.736 1.00 0.00 C ATOM 680 CG HIS A 45 22.335 29.974 45.109 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.615 29.174 46.197 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.536 30.965 45.568 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.009 29.660 47.265 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.348 30.747 46.911 1.00 0.00 N ATOM 0 H HIS A 45 23.963 30.301 41.382 1.00 0.00 H new ATOM 0 HA HIS A 45 24.371 31.170 44.182 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.146 30.050 42.998 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.969 28.625 43.601 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.123 31.776 44.987 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.047 29.240 48.259 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.789 31.330 47.534 1.00 0.00 H new ATOM 692 N TYR A 46 26.110 29.492 44.703 1.00 0.00 N ATOM 693 CA TYR A 46 27.220 28.587 44.975 1.00 0.00 C ATOM 694 C TYR A 46 26.747 27.137 45.004 1.00 0.00 C ATOM 695 O TYR A 46 27.513 26.217 44.718 1.00 0.00 O ATOM 696 CB TYR A 46 27.882 28.945 46.307 1.00 0.00 C ATOM 697 CG TYR A 46 28.685 30.226 46.259 1.00 0.00 C ATOM 698 CD1 TYR A 46 29.675 30.413 45.302 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.454 31.248 47.170 1.00 0.00 C ATOM 700 CE1 TYR A 46 30.411 31.581 45.255 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.184 32.420 47.130 1.00 0.00 C ATOM 702 CZ TYR A 46 30.162 32.581 46.171 1.00 0.00 C ATOM 703 OH TYR A 46 30.893 33.747 46.126 1.00 0.00 O ATOM 0 H TYR A 46 25.983 30.226 45.400 1.00 0.00 H new ATOM 0 HA TYR A 46 27.949 28.696 44.172 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.112 29.037 47.073 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.536 28.127 46.610 1.00 0.00 H new ATOM 0 HD1 TYR A 46 29.872 29.632 44.583 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.690 31.124 47.923 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.177 31.710 44.505 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.990 33.206 47.845 1.00 0.00 H new ATOM 0 HH TYR A 46 30.285 34.515 46.141 1.00 0.00 H new ATOM 713 N SER A 47 25.479 26.942 45.350 1.00 0.00 N ATOM 714 CA SER A 47 24.902 25.604 45.419 1.00 0.00 C ATOM 715 C SER A 47 25.039 24.884 44.081 1.00 0.00 C ATOM 716 O SER A 47 25.240 23.671 44.036 1.00 0.00 O ATOM 717 CB SER A 47 23.428 25.681 45.821 1.00 0.00 C ATOM 718 OG SER A 47 22.787 24.430 45.650 1.00 0.00 O ATOM 0 H SER A 47 24.831 27.693 45.587 1.00 0.00 H new ATOM 0 HA SER A 47 25.448 25.038 46.174 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.348 25.995 46.862 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.923 26.437 45.220 1.00 0.00 H new ATOM 0 HG SER A 47 21.847 24.505 45.915 1.00 0.00 H new ATOM 724 N GLU A 48 24.929 25.642 42.994 1.00 0.00 N ATOM 725 CA GLU A 48 25.039 25.075 41.655 1.00 0.00 C ATOM 726 C GLU A 48 26.494 25.048 41.194 1.00 0.00 C ATOM 727 O GLU A 48 26.881 24.217 40.373 1.00 0.00 O ATOM 728 CB GLU A 48 24.194 25.881 40.666 1.00 0.00 C ATOM 729 CG GLU A 48 22.939 25.157 40.208 1.00 0.00 C ATOM 730 CD GLU A 48 22.131 24.602 41.365 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.806 25.379 42.287 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.825 23.392 41.348 1.00 0.00 O ATOM 0 H GLU A 48 24.764 26.648 43.014 1.00 0.00 H new ATOM 0 HA GLU A 48 24.668 24.051 41.689 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.910 26.826 41.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.802 26.124 39.795 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.318 25.843 39.632 1.00 0.00 H new ATOM 0 HG3 GLU A 48 23.217 24.342 39.540 1.00 0.00 H new ATOM 739 N PHE A 49 27.295 25.964 41.729 1.00 0.00 N ATOM 740 CA PHE A 49 28.706 26.047 41.372 1.00 0.00 C ATOM 741 C PHE A 49 29.392 24.695 41.547 1.00 0.00 C ATOM 742 O PHE A 49 29.360 24.104 42.627 1.00 0.00 O ATOM 743 CB PHE A 49 29.410 27.102 42.228 1.00 0.00 C ATOM 744 CG PHE A 49 30.901 27.121 42.051 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.477 27.792 40.985 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.727 26.467 42.951 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.850 27.812 40.820 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.099 26.483 42.792 1.00 0.00 C ATOM 749 CZ PHE A 49 33.661 27.155 41.724 1.00 0.00 C ATOM 0 H PHE A 49 26.991 26.659 42.411 1.00 0.00 H new ATOM 0 HA PHE A 49 28.773 26.336 40.323 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.010 28.085 41.980 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.179 26.920 43.278 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.847 28.306 40.274 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.293 25.938 43.787 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.287 28.340 39.986 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.732 25.971 43.502 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.733 27.167 41.596 1.00 0.00 H new ATOM 759 N LYS A 50 30.012 24.209 40.477 1.00 0.00 N ATOM 760 CA LYS A 50 30.707 22.928 40.510 1.00 0.00 C ATOM 761 C LYS A 50 32.218 23.127 40.462 1.00 0.00 C ATOM 762 O LYS A 50 32.833 23.035 39.400 1.00 0.00 O ATOM 763 CB LYS A 50 30.259 22.052 39.338 1.00 0.00 C ATOM 764 CG LYS A 50 28.751 21.953 39.192 1.00 0.00 C ATOM 765 CD LYS A 50 28.121 21.247 40.381 1.00 0.00 C ATOM 766 CE LYS A 50 28.349 19.744 40.322 1.00 0.00 C ATOM 767 NZ LYS A 50 27.072 18.995 40.168 1.00 0.00 N ATOM 0 H LYS A 50 30.047 24.684 39.575 1.00 0.00 H new ATOM 0 HA LYS A 50 30.454 22.430 41.446 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.679 22.452 38.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.669 21.050 39.467 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.328 22.953 39.095 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.508 21.414 38.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.541 21.644 41.305 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.051 21.453 40.403 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.010 19.510 39.488 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.854 19.417 41.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.270 17.975 40.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.450 19.199 40.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.602 19.288 39.288 1.00 0.00 H new ATOM 781 N GLY A 51 32.812 23.399 41.620 1.00 0.00 N ATOM 782 CA GLY A 51 34.247 23.605 41.688 1.00 0.00 C ATOM 783 C GLY A 51 34.773 23.559 43.109 1.00 0.00 C ATOM 784 O GLY A 51 34.316 22.755 43.921 1.00 0.00 O ATOM 0 H GLY A 51 32.325 23.480 42.512 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.749 22.842 41.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.494 24.569 41.244 1.00 0.00 H new ATOM 788 N ASP A 52 35.737 24.422 43.409 1.00 0.00 N ATOM 789 CA ASP A 52 36.326 24.477 44.742 1.00 0.00 C ATOM 790 C ASP A 52 35.810 25.686 45.515 1.00 0.00 C ATOM 791 O ASP A 52 36.382 26.775 45.440 1.00 0.00 O ATOM 792 CB ASP A 52 37.852 24.530 44.646 1.00 0.00 C ATOM 793 CG ASP A 52 38.394 23.639 43.546 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.485 24.108 42.393 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.728 22.471 43.839 1.00 0.00 O ATOM 0 H ASP A 52 36.127 25.093 42.747 1.00 0.00 H new ATOM 0 HA ASP A 52 36.034 23.574 45.279 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.166 25.558 44.465 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.284 24.228 45.600 1.00 0.00 H new ATOM 800 N LEU A 53 34.727 25.488 46.258 1.00 0.00 N ATOM 801 CA LEU A 53 34.132 26.563 47.045 1.00 0.00 C ATOM 802 C LEU A 53 35.065 26.991 48.174 1.00 0.00 C ATOM 803 O LEU A 53 35.000 28.124 48.649 1.00 0.00 O ATOM 804 CB LEU A 53 32.788 26.116 47.621 1.00 0.00 C ATOM 805 CG LEU A 53 31.657 27.144 47.563 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.994 28.357 48.416 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.389 27.560 46.124 1.00 0.00 C ATOM 0 H LEU A 53 34.243 24.593 46.332 1.00 0.00 H new ATOM 0 HA LEU A 53 33.972 27.417 46.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.466 25.221 47.088 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.939 25.830 48.662 1.00 0.00 H new ATOM 0 HG LEU A 53 30.753 26.685 47.962 1.00 0.00 H new ATOM 0 HD11 LEU A 53 31.178 29.078 48.362 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.136 28.046 49.451 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.910 28.818 48.047 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.581 28.292 46.101 1.00 0.00 H new ATOM 0 HD22 LEU A 53 32.291 28.001 45.699 1.00 0.00 H new ATOM 0 HD23 LEU A 53 31.103 26.685 45.540 1.00 0.00 H new ATOM 819 N GLU A 54 35.933 26.077 48.597 1.00 0.00 N ATOM 820 CA GLU A 54 36.880 26.362 49.669 1.00 0.00 C ATOM 821 C GLU A 54 38.065 27.169 49.148 1.00 0.00 C ATOM 822 O GLU A 54 38.576 28.056 49.832 1.00 0.00 O ATOM 823 CB GLU A 54 37.374 25.059 50.301 1.00 0.00 C ATOM 824 CG GLU A 54 38.034 24.114 49.311 1.00 0.00 C ATOM 825 CD GLU A 54 38.530 22.838 49.964 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.957 22.898 51.136 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.489 21.780 49.303 1.00 0.00 O ATOM 0 H GLU A 54 36.000 25.134 48.214 1.00 0.00 H new ATOM 0 HA GLU A 54 36.366 26.953 50.427 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.084 25.296 51.093 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.532 24.550 50.770 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.322 23.862 48.525 1.00 0.00 H new ATOM 0 HG3 GLU A 54 38.871 24.622 48.832 1.00 0.00 H new ATOM 834 N THR A 55 38.498 26.855 47.931 1.00 0.00 N ATOM 835 CA THR A 55 39.623 27.549 47.317 1.00 0.00 C ATOM 836 C THR A 55 39.260 28.070 45.932 1.00 0.00 C ATOM 837 O THR A 55 39.457 27.384 44.928 1.00 0.00 O ATOM 838 CB THR A 55 40.854 26.631 47.201 1.00 0.00 C ATOM 839 OG1 THR A 55 40.553 25.513 46.359 1.00 0.00 O ATOM 840 CG2 THR A 55 41.292 26.136 48.572 1.00 0.00 C ATOM 0 H THR A 55 38.086 26.124 47.351 1.00 0.00 H new ATOM 0 HA THR A 55 39.866 28.391 47.966 1.00 0.00 H new ATOM 0 HB THR A 55 41.669 27.207 46.763 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.145 25.831 45.527 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.163 25.490 48.464 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.548 26.988 49.202 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.479 25.575 49.033 1.00 0.00 H new ATOM 848 N LEU A 56 38.728 29.286 45.883 1.00 0.00 N ATOM 849 CA LEU A 56 38.337 29.900 44.618 1.00 0.00 C ATOM 850 C LEU A 56 39.027 31.248 44.431 1.00 0.00 C ATOM 851 O LEU A 56 39.410 31.609 43.318 1.00 0.00 O ATOM 852 CB LEU A 56 36.819 30.079 44.564 1.00 0.00 C ATOM 853 CG LEU A 56 36.295 31.049 43.504 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.867 30.705 42.137 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.774 31.029 43.468 1.00 0.00 C ATOM 0 H LEU A 56 38.557 29.867 46.704 1.00 0.00 H new ATOM 0 HA LEU A 56 38.648 29.239 43.809 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.364 29.104 44.392 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.479 30.421 45.541 1.00 0.00 H new ATOM 0 HG LEU A 56 36.619 32.056 43.768 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.483 31.405 41.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.954 30.771 42.170 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.574 29.691 41.864 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.419 31.725 42.708 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.429 30.023 43.228 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.383 31.324 44.442 1.00 0.00 H new ATOM 867 N GLN A 57 39.183 31.984 45.526 1.00 0.00 N ATOM 868 CA GLN A 57 39.828 33.291 45.481 1.00 0.00 C ATOM 869 C GLN A 57 41.168 33.212 44.758 1.00 0.00 C ATOM 870 O GLN A 57 41.784 32.151 44.654 1.00 0.00 O ATOM 871 CB GLN A 57 40.031 33.832 46.898 1.00 0.00 C ATOM 872 CG GLN A 57 40.510 32.781 47.887 1.00 0.00 C ATOM 873 CD GLN A 57 41.368 33.367 48.991 1.00 0.00 C ATOM 874 OE1 GLN A 57 42.468 33.862 48.741 1.00 0.00 O ATOM 875 NE2 GLN A 57 40.869 33.315 50.220 1.00 0.00 N ATOM 0 H GLN A 57 38.872 31.698 46.454 1.00 0.00 H new ATOM 0 HA GLN A 57 39.178 33.970 44.930 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.755 34.646 46.867 1.00 0.00 H new ATOM 0 HB3 GLN A 57 39.092 34.254 47.255 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.647 32.283 48.328 1.00 0.00 H new ATOM 0 HG3 GLN A 57 41.080 32.019 47.355 1.00 0.00 H new ATOM 0 HE21 GLN A 57 39.953 32.896 50.381 1.00 0.00 H new ATOM 0 HE22 GLN A 57 41.401 33.694 51.003 1.00 0.00 H new ATOM 884 N PRO A 58 41.633 34.361 44.244 1.00 0.00 N ATOM 885 CA PRO A 58 40.909 35.630 44.362 1.00 0.00 C ATOM 886 C PRO A 58 39.639 35.653 43.518 1.00 0.00 C ATOM 887 O PRO A 58 38.569 36.024 43.999 1.00 0.00 O ATOM 888 CB PRO A 58 41.914 36.661 43.842 1.00 0.00 C ATOM 889 CG PRO A 58 42.807 35.893 42.930 1.00 0.00 C ATOM 890 CD PRO A 58 42.900 34.509 43.510 1.00 0.00 C ATOM 0 HA PRO A 58 40.576 35.816 45.383 1.00 0.00 H new ATOM 0 HB2 PRO A 58 41.412 37.472 43.314 1.00 0.00 H new ATOM 0 HB3 PRO A 58 42.477 37.113 44.659 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.402 35.866 41.919 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.792 36.356 42.866 1.00 0.00 H new ATOM 0 HD2 PRO A 58 43.004 33.753 42.731 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.761 34.407 44.170 1.00 0.00 H new ATOM 898 N GLY A 59 39.764 35.252 42.256 1.00 0.00 N ATOM 899 CA GLY A 59 38.618 35.234 41.366 1.00 0.00 C ATOM 900 C GLY A 59 38.834 34.342 40.160 1.00 0.00 C ATOM 901 O GLY A 59 38.845 34.816 39.024 1.00 0.00 O ATOM 0 H GLY A 59 40.639 34.939 41.835 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.741 34.891 41.915 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.407 36.249 41.030 1.00 0.00 H new ATOM 905 N ASP A 60 39.009 33.049 40.407 1.00 0.00 N ATOM 906 CA ASP A 60 39.227 32.088 39.331 1.00 0.00 C ATOM 907 C ASP A 60 38.123 32.186 38.283 1.00 0.00 C ATOM 908 O ASP A 60 36.938 32.207 38.615 1.00 0.00 O ATOM 909 CB ASP A 60 39.289 30.667 39.893 1.00 0.00 C ATOM 910 CG ASP A 60 40.470 29.883 39.354 1.00 0.00 C ATOM 911 OD1 ASP A 60 40.548 29.702 38.121 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.314 29.449 40.166 1.00 0.00 O ATOM 0 H ASP A 60 39.004 32.642 41.342 1.00 0.00 H new ATOM 0 HA ASP A 60 40.178 32.324 38.854 1.00 0.00 H new ATOM 0 HB2 ASP A 60 39.352 30.712 40.980 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.366 30.142 39.648 1.00 0.00 H new ATOM 917 N ASP A 61 38.521 32.247 37.017 1.00 0.00 N ATOM 918 CA ASP A 61 37.566 32.343 35.919 1.00 0.00 C ATOM 919 C ASP A 61 36.515 31.241 36.015 1.00 0.00 C ATOM 920 O ASP A 61 36.832 30.090 36.315 1.00 0.00 O ATOM 921 CB ASP A 61 38.291 32.257 34.575 1.00 0.00 C ATOM 922 CG ASP A 61 39.434 33.247 34.470 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.166 34.467 34.481 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.597 32.802 34.376 1.00 0.00 O ATOM 0 H ASP A 61 39.498 32.232 36.726 1.00 0.00 H new ATOM 0 HA ASP A 61 37.063 33.307 35.991 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.675 31.246 34.437 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.580 32.440 33.769 1.00 0.00 H new ATOM 929 N VAL A 62 35.261 31.602 35.760 1.00 0.00 N ATOM 930 CA VAL A 62 34.163 30.645 35.818 1.00 0.00 C ATOM 931 C VAL A 62 33.221 30.817 34.632 1.00 0.00 C ATOM 932 O VAL A 62 33.113 31.904 34.065 1.00 0.00 O ATOM 933 CB VAL A 62 33.359 30.791 37.124 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.168 30.285 38.308 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.942 32.239 37.332 1.00 0.00 C ATOM 0 H VAL A 62 34.981 32.551 35.511 1.00 0.00 H new ATOM 0 HA VAL A 62 34.608 29.651 35.784 1.00 0.00 H new ATOM 0 HB VAL A 62 32.457 30.184 37.046 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.584 30.396 39.222 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.412 29.233 38.159 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.088 30.863 38.393 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.375 32.325 38.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.830 32.869 37.390 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.322 32.563 36.496 1.00 0.00 H new ATOM 945 N GLU A 63 32.540 29.737 34.262 1.00 0.00 N ATOM 946 CA GLU A 63 31.606 29.769 33.143 1.00 0.00 C ATOM 947 C GLU A 63 30.193 29.426 33.603 1.00 0.00 C ATOM 948 O GLU A 63 30.004 28.664 34.551 1.00 0.00 O ATOM 949 CB GLU A 63 32.050 28.792 32.051 1.00 0.00 C ATOM 950 CG GLU A 63 31.382 29.036 30.709 1.00 0.00 C ATOM 951 CD GLU A 63 31.864 28.079 29.635 1.00 0.00 C ATOM 952 OE1 GLU A 63 33.082 27.806 29.588 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.024 27.603 28.843 1.00 0.00 O ATOM 0 H GLU A 63 32.618 28.829 34.721 1.00 0.00 H new ATOM 0 HA GLU A 63 31.601 30.780 32.736 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.131 28.864 31.928 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.833 27.774 32.376 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.302 28.936 30.821 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.576 30.060 30.391 1.00 0.00 H new ATOM 960 N PHE A 64 29.201 29.995 32.925 1.00 0.00 N ATOM 961 CA PHE A 64 27.804 29.752 33.264 1.00 0.00 C ATOM 962 C PHE A 64 26.927 29.784 32.016 1.00 0.00 C ATOM 963 O PHE A 64 27.382 30.155 30.933 1.00 0.00 O ATOM 964 CB PHE A 64 27.314 30.792 34.273 1.00 0.00 C ATOM 965 CG PHE A 64 27.642 32.206 33.884 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.834 32.900 32.998 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.758 32.840 34.405 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.134 34.200 32.638 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.063 34.140 34.049 1.00 0.00 C ATOM 970 CZ PHE A 64 28.249 34.821 33.165 1.00 0.00 C ATOM 0 H PHE A 64 29.339 30.628 32.137 1.00 0.00 H new ATOM 0 HA PHE A 64 27.732 28.760 33.711 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.234 30.696 34.386 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.757 30.579 35.246 1.00 0.00 H new ATOM 0 HD1 PHE A 64 25.960 32.420 32.584 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.397 32.312 35.097 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.497 34.730 31.945 1.00 0.00 H new ATOM 0 HE2 PHE A 64 29.937 34.623 34.461 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.484 35.838 32.886 1.00 0.00 H new ATOM 980 N THR A 65 25.667 29.394 32.175 1.00 0.00 N ATOM 981 CA THR A 65 24.726 29.376 31.062 1.00 0.00 C ATOM 982 C THR A 65 23.466 30.167 31.394 1.00 0.00 C ATOM 983 O THR A 65 22.787 29.884 32.382 1.00 0.00 O ATOM 984 CB THR A 65 24.329 27.936 30.684 1.00 0.00 C ATOM 985 OG1 THR A 65 25.502 27.159 30.419 1.00 0.00 O ATOM 986 CG2 THR A 65 23.422 27.927 29.464 1.00 0.00 C ATOM 0 H THR A 65 25.274 29.086 33.064 1.00 0.00 H new ATOM 0 HA THR A 65 25.231 29.840 30.215 1.00 0.00 H new ATOM 0 HB THR A 65 23.786 27.500 31.523 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.242 26.245 30.181 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.155 26.900 29.216 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.517 28.495 29.679 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.943 28.380 28.620 1.00 0.00 H new ATOM 994 N ILE A 66 23.160 31.159 30.565 1.00 0.00 N ATOM 995 CA ILE A 66 21.980 31.989 30.771 1.00 0.00 C ATOM 996 C ILE A 66 20.748 31.363 30.126 1.00 0.00 C ATOM 997 O ILE A 66 20.825 30.789 29.040 1.00 0.00 O ATOM 998 CB ILE A 66 22.181 33.405 30.198 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.504 33.995 30.691 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.017 34.304 30.587 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.606 34.075 32.198 1.00 0.00 C ATOM 0 H ILE A 66 23.713 31.407 29.745 1.00 0.00 H new ATOM 0 HA ILE A 66 21.828 32.059 31.848 1.00 0.00 H new ATOM 0 HB ILE A 66 22.216 33.339 29.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.327 33.389 30.311 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.625 34.994 30.273 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.174 35.301 30.175 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.089 33.890 30.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.953 34.367 31.673 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.569 34.503 32.475 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.805 34.705 32.584 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.517 33.075 32.622 1.00 0.00 H new ATOM 1013 N LYS A 67 19.610 31.479 30.803 1.00 0.00 N ATOM 1014 CA LYS A 67 18.359 30.928 30.297 1.00 0.00 C ATOM 1015 C LYS A 67 17.295 32.014 30.176 1.00 0.00 C ATOM 1016 O LYS A 67 17.549 33.181 30.476 1.00 0.00 O ATOM 1017 CB LYS A 67 17.860 29.811 31.216 1.00 0.00 C ATOM 1018 CG LYS A 67 18.932 28.796 31.576 1.00 0.00 C ATOM 1019 CD LYS A 67 19.401 28.024 30.354 1.00 0.00 C ATOM 1020 CE LYS A 67 19.777 26.593 30.710 1.00 0.00 C ATOM 1021 NZ LYS A 67 18.576 25.724 30.851 1.00 0.00 N ATOM 0 H LYS A 67 19.529 31.950 31.704 1.00 0.00 H new ATOM 0 HA LYS A 67 18.548 30.517 29.305 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.468 30.253 32.132 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.031 29.295 30.731 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.780 29.307 32.032 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.541 28.101 32.319 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.613 28.018 29.601 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.260 28.528 29.911 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.431 26.187 29.939 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.342 26.587 31.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.873 24.757 31.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.964 26.097 31.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.051 25.709 29.954 1.00 0.00 H new ATOM 1129 N VAL A 74 19.614 35.369 35.401 1.00 0.00 N ATOM 1130 CA VAL A 74 20.395 34.635 36.390 1.00 0.00 C ATOM 1131 C VAL A 74 21.113 33.451 35.754 1.00 0.00 C ATOM 1132 O VAL A 74 20.612 32.842 34.809 1.00 0.00 O ATOM 1133 CB VAL A 74 19.506 34.126 37.540 1.00 0.00 C ATOM 1134 CG1 VAL A 74 18.907 35.293 38.309 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.414 33.212 37.004 1.00 0.00 C ATOM 0 HA VAL A 74 21.133 35.330 36.791 1.00 0.00 H new ATOM 0 HB VAL A 74 20.125 33.550 38.227 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.282 34.914 39.117 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.708 35.904 38.726 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.301 35.899 37.636 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.795 32.861 37.830 1.00 0.00 H new ATOM 0 HG22 VAL A 74 17.795 33.762 36.295 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.868 32.357 36.503 1.00 0.00 H new ATOM 1145 N ALA A 75 22.291 33.129 36.279 1.00 0.00 N ATOM 1146 CA ALA A 75 23.078 32.015 35.764 1.00 0.00 C ATOM 1147 C ALA A 75 22.820 30.744 36.566 1.00 0.00 C ATOM 1148 O ALA A 75 22.541 30.799 37.764 1.00 0.00 O ATOM 1149 CB ALA A 75 24.559 32.362 35.784 1.00 0.00 C ATOM 0 H ALA A 75 22.721 33.624 37.060 1.00 0.00 H new ATOM 0 HA ALA A 75 22.773 31.832 34.734 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.135 31.521 35.397 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.735 33.240 35.162 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.869 32.574 36.807 1.00 0.00 H new ATOM 1155 N THR A 76 22.914 29.599 35.897 1.00 0.00 N ATOM 1156 CA THR A 76 22.688 28.314 36.547 1.00 0.00 C ATOM 1157 C THR A 76 23.762 27.305 36.156 1.00 0.00 C ATOM 1158 O THR A 76 24.304 27.357 35.052 1.00 0.00 O ATOM 1159 CB THR A 76 21.305 27.739 36.190 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.613 28.635 35.313 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.475 27.507 37.444 1.00 0.00 C ATOM 0 H THR A 76 23.145 29.535 34.906 1.00 0.00 H new ATOM 0 HA THR A 76 22.733 28.491 37.622 1.00 0.00 H new ATOM 0 HB THR A 76 21.452 26.782 35.689 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.735 28.261 35.089 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.502 27.101 37.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.990 26.802 38.096 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.337 28.452 37.969 1.00 0.00 H new ATOM 1169 N ASP A 77 24.064 26.387 37.067 1.00 0.00 N ATOM 1170 CA ASP A 77 25.072 25.363 36.817 1.00 0.00 C ATOM 1171 C ASP A 77 26.396 25.995 36.398 1.00 0.00 C ATOM 1172 O ASP A 77 26.796 25.911 35.237 1.00 0.00 O ATOM 1173 CB ASP A 77 24.590 24.396 35.735 1.00 0.00 C ATOM 1174 CG ASP A 77 23.269 23.741 36.090 1.00 0.00 C ATOM 1175 OD1 ASP A 77 22.213 24.309 35.743 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.293 22.661 36.716 1.00 0.00 O ATOM 0 H ASP A 77 23.625 26.331 37.986 1.00 0.00 H new ATOM 0 HA ASP A 77 25.230 24.810 37.743 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.484 24.933 34.793 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.344 23.625 35.579 1.00 0.00 H new ATOM 1181 N VAL A 78 27.071 26.630 37.351 1.00 0.00 N ATOM 1182 CA VAL A 78 28.349 27.277 37.081 1.00 0.00 C ATOM 1183 C VAL A 78 29.492 26.269 37.109 1.00 0.00 C ATOM 1184 O VAL A 78 29.537 25.389 37.970 1.00 0.00 O ATOM 1185 CB VAL A 78 28.640 28.394 38.101 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.002 29.017 37.838 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.545 29.450 38.061 1.00 0.00 C ATOM 0 H VAL A 78 26.754 26.710 38.317 1.00 0.00 H new ATOM 0 HA VAL A 78 28.278 27.714 36.085 1.00 0.00 H new ATOM 0 HB VAL A 78 28.655 27.956 39.099 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.189 29.804 38.569 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.774 28.252 37.922 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.020 29.442 36.834 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.766 30.232 38.788 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.496 29.886 37.063 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.587 28.990 38.303 1.00 0.00 H new ATOM 1197 N ARG A 79 30.415 26.402 36.163 1.00 0.00 N ATOM 1198 CA ARG A 79 31.559 25.502 36.078 1.00 0.00 C ATOM 1199 C ARG A 79 32.862 26.287 35.962 1.00 0.00 C ATOM 1200 O ARG A 79 32.999 27.158 35.102 1.00 0.00 O ATOM 1201 CB ARG A 79 31.408 24.562 34.880 1.00 0.00 C ATOM 1202 CG ARG A 79 30.129 23.742 34.907 1.00 0.00 C ATOM 1203 CD ARG A 79 29.939 22.964 33.614 1.00 0.00 C ATOM 1204 NE ARG A 79 30.513 21.624 33.692 1.00 0.00 N ATOM 1205 CZ ARG A 79 30.485 20.753 32.690 1.00 0.00 C ATOM 1206 NH1 ARG A 79 29.914 21.080 31.539 1.00 0.00 N ATOM 1207 NH2 ARG A 79 31.029 19.552 32.838 1.00 0.00 N ATOM 0 H ARG A 79 30.393 27.125 35.444 1.00 0.00 H new ATOM 0 HA ARG A 79 31.592 24.911 36.993 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.433 25.150 33.962 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.262 23.886 34.849 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.157 23.050 35.749 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.276 24.402 35.065 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.875 22.890 33.389 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.402 23.509 32.792 1.00 0.00 H new ATOM 0 HE ARG A 79 30.960 21.341 34.564 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.495 22.002 31.422 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.894 20.409 30.771 1.00 0.00 H new ATOM 0 HH21 ARG A 79 31.469 19.297 33.722 1.00 0.00 H new ATOM 0 HH22 ARG A 79 31.007 18.884 32.068 1.00 0.00 H new ATOM 1221 N LEU A 80 33.815 25.974 36.832 1.00 0.00 N ATOM 1222 CA LEU A 80 35.108 26.651 36.827 1.00 0.00 C ATOM 1223 C LEU A 80 35.762 26.565 35.452 1.00 0.00 C ATOM 1224 O LEU A 80 35.586 25.584 34.729 1.00 0.00 O ATOM 1225 CB LEU A 80 36.030 26.038 37.882 1.00 0.00 C ATOM 1226 CG LEU A 80 36.197 26.839 39.174 1.00 0.00 C ATOM 1227 CD1 LEU A 80 37.037 26.063 40.178 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.826 28.194 38.884 1.00 0.00 C ATOM 0 H LEU A 80 33.718 25.256 37.550 1.00 0.00 H new ATOM 0 HA LEU A 80 34.942 27.702 37.065 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.650 25.049 38.138 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.015 25.895 37.437 1.00 0.00 H new ATOM 0 HG LEU A 80 35.210 27.004 39.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.145 26.648 41.091 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.546 25.117 40.409 1.00 0.00 H new ATOM 0 HD13 LEU A 80 38.022 25.867 39.754 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.937 28.750 39.815 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.805 28.050 38.428 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.186 28.753 38.201 1.00 0.00 H new ATOM 1240 N LEU A 81 36.519 27.598 35.098 1.00 0.00 N ATOM 1241 CA LEU A 81 37.202 27.639 33.809 1.00 0.00 C ATOM 1242 C LEU A 81 38.630 27.118 33.934 1.00 0.00 C ATOM 1243 O LEU A 81 39.213 27.085 35.018 1.00 0.00 O ATOM 1244 CB LEU A 81 37.215 29.067 33.262 1.00 0.00 C ATOM 1245 CG LEU A 81 35.954 29.513 32.520 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.031 30.993 32.178 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.754 28.682 31.261 1.00 0.00 C ATOM 0 H LEU A 81 36.675 28.418 35.685 1.00 0.00 H new ATOM 0 HA LEU A 81 36.659 26.996 33.117 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.385 29.752 34.093 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.065 29.168 32.587 1.00 0.00 H new ATOM 0 HG LEU A 81 35.096 29.357 33.174 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.125 31.292 31.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.125 31.574 33.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 36.898 31.175 31.543 1.00 0.00 H new ATOM 0 HD21 LEU A 81 34.852 29.013 30.746 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.614 28.806 30.603 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.652 27.631 31.531 1.00 0.00 H new ATOM 1259 N PRO A 82 39.210 26.701 32.798 1.00 0.00 N ATOM 1260 CA PRO A 82 40.578 26.176 32.753 1.00 0.00 C ATOM 1261 C PRO A 82 41.622 27.259 33.004 1.00 0.00 C ATOM 1262 O PRO A 82 41.291 28.439 33.112 1.00 0.00 O ATOM 1263 CB PRO A 82 40.702 25.633 31.328 1.00 0.00 C ATOM 1264 CG PRO A 82 39.715 26.418 30.535 1.00 0.00 C ATOM 1265 CD PRO A 82 38.574 26.711 31.470 1.00 0.00 C ATOM 0 HA PRO A 82 40.754 25.427 33.525 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.713 25.763 30.942 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.481 24.566 31.290 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.160 27.340 30.161 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.374 25.853 29.667 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.113 27.675 31.252 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.789 25.958 31.395 1.00 0.00 H new