USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=10 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 45 HIS : no HD1:sc= 0.617 K(o=1.4,f=-3!) USER MOD Set 1.2: A 47 SER OG : rot 87:sc= 0.808 USER MOD Set 2.1: A 26 MET CE :methyl -143:sc= -0.723 (180deg=-1.05) USER MOD Set 2.2: A 46 TYR OH : rot -161:sc= 0.122 USER MOD Set 2.3: A 57 GLN :FLIP amide:sc= 0.826 F(o=-0.76,f=0.23) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 24 CYS SG : rot -17:sc= 0.2 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0708) USER MOD Single : A 55 THR OG1 : rot 43:sc= 1.12 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 -160:sc= -0.312 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.984 31.456 28.206 1.00 0.00 N ATOM 272 CA CYS A 19 29.452 32.763 28.655 1.00 0.00 C ATOM 273 C CYS A 19 30.230 32.642 29.961 1.00 0.00 C ATOM 274 O CYS A 19 29.732 32.093 30.943 1.00 0.00 O ATOM 275 CB CYS A 19 28.270 33.715 28.838 1.00 0.00 C ATOM 276 SG CYS A 19 27.571 34.331 27.288 1.00 0.00 S ATOM 0 HA CYS A 19 30.118 33.165 27.892 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.488 33.203 29.398 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.591 34.564 29.442 1.00 0.00 H new ATOM 0 HG CYS A 19 26.576 35.126 27.547 1.00 0.00 H new ATOM 282 N GLN A 20 31.456 33.157 29.963 1.00 0.00 N ATOM 283 CA GLN A 20 32.304 33.105 31.148 1.00 0.00 C ATOM 284 C GLN A 20 32.765 34.502 31.549 1.00 0.00 C ATOM 285 O GLN A 20 32.606 35.460 30.794 1.00 0.00 O ATOM 286 CB GLN A 20 33.516 32.207 30.894 1.00 0.00 C ATOM 287 CG GLN A 20 34.392 32.679 29.745 1.00 0.00 C ATOM 288 CD GLN A 20 34.241 31.821 28.505 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.141 31.664 27.974 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.349 31.258 28.036 1.00 0.00 N ATOM 0 H GLN A 20 31.884 33.615 29.158 1.00 0.00 H new ATOM 0 HA GLN A 20 31.717 32.688 31.966 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.117 32.157 31.802 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.170 31.195 30.684 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.140 33.711 29.501 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.435 32.672 30.062 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.240 31.415 28.507 1.00 0.00 H new ATOM 0 HE22 GLN A 20 35.309 30.669 27.204 1.00 0.00 H new ATOM 299 N GLY A 21 33.338 34.610 32.745 1.00 0.00 N ATOM 300 CA GLY A 21 33.814 35.894 33.226 1.00 0.00 C ATOM 301 C GLY A 21 34.780 35.757 34.386 1.00 0.00 C ATOM 302 O GLY A 21 35.567 34.812 34.440 1.00 0.00 O ATOM 0 H GLY A 21 33.481 33.832 33.388 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.304 36.425 32.410 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.963 36.501 33.536 1.00 0.00 H new ATOM 306 N VAL A 22 34.722 36.704 35.317 1.00 0.00 N ATOM 307 CA VAL A 22 35.599 36.685 36.482 1.00 0.00 C ATOM 308 C VAL A 22 34.815 36.943 37.764 1.00 0.00 C ATOM 309 O VAL A 22 34.071 37.919 37.864 1.00 0.00 O ATOM 310 CB VAL A 22 36.719 37.735 36.358 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.727 37.577 37.486 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.402 37.627 35.003 1.00 0.00 C ATOM 0 H VAL A 22 34.077 37.494 35.287 1.00 0.00 H new ATOM 0 HA VAL A 22 36.046 35.692 36.526 1.00 0.00 H new ATOM 0 HB VAL A 22 36.274 38.727 36.437 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.511 38.327 37.381 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.224 37.708 38.444 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.169 36.582 37.442 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.191 38.376 34.932 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.835 36.633 34.892 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.671 37.795 34.212 1.00 0.00 H new ATOM 322 N VAL A 23 34.987 36.062 38.743 1.00 0.00 N ATOM 323 CA VAL A 23 34.297 36.194 40.021 1.00 0.00 C ATOM 324 C VAL A 23 34.746 37.450 40.760 1.00 0.00 C ATOM 325 O VAL A 23 35.833 37.486 41.339 1.00 0.00 O ATOM 326 CB VAL A 23 34.541 34.968 40.920 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.811 35.124 42.246 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.108 33.693 40.211 1.00 0.00 C ATOM 0 H VAL A 23 35.599 35.248 38.676 1.00 0.00 H new ATOM 0 HA VAL A 23 33.232 36.267 39.800 1.00 0.00 H new ATOM 0 HB VAL A 23 35.609 34.897 41.126 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.995 34.248 42.868 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.173 36.015 42.758 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.741 35.220 42.063 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.288 32.836 40.861 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.046 33.752 39.973 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.680 33.576 39.291 1.00 0.00 H new ATOM 338 N CYS A 24 33.903 38.476 40.737 1.00 0.00 N ATOM 339 CA CYS A 24 34.213 39.735 41.405 1.00 0.00 C ATOM 340 C CYS A 24 33.580 39.785 42.792 1.00 0.00 C ATOM 341 O CYS A 24 34.072 40.474 43.685 1.00 0.00 O ATOM 342 CB CYS A 24 33.724 40.916 40.566 1.00 0.00 C ATOM 343 SG CYS A 24 33.929 42.525 41.365 1.00 0.00 S ATOM 0 H CYS A 24 33.000 38.461 40.263 1.00 0.00 H new ATOM 0 HA CYS A 24 35.295 39.801 41.516 1.00 0.00 H new ATOM 0 HB2 CYS A 24 34.262 40.922 39.618 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.669 40.770 40.333 1.00 0.00 H new ATOM 0 HG CYS A 24 34.113 42.356 42.641 1.00 0.00 H new ATOM 349 N ALA A 25 32.486 39.050 42.964 1.00 0.00 N ATOM 350 CA ALA A 25 31.786 39.011 44.242 1.00 0.00 C ATOM 351 C ALA A 25 31.977 37.664 44.931 1.00 0.00 C ATOM 352 O ALA A 25 31.958 36.617 44.284 1.00 0.00 O ATOM 353 CB ALA A 25 30.305 39.297 44.041 1.00 0.00 C ATOM 0 H ALA A 25 32.066 38.474 42.235 1.00 0.00 H new ATOM 0 HA ALA A 25 32.210 39.782 44.885 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.794 39.265 45.003 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.182 40.285 43.598 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.876 38.546 43.377 1.00 0.00 H new ATOM 359 N MET A 26 32.162 37.699 46.246 1.00 0.00 N ATOM 360 CA MET A 26 32.357 36.480 47.023 1.00 0.00 C ATOM 361 C MET A 26 31.542 36.520 48.311 1.00 0.00 C ATOM 362 O MET A 26 31.679 37.441 49.116 1.00 0.00 O ATOM 363 CB MET A 26 33.840 36.288 47.349 1.00 0.00 C ATOM 364 CG MET A 26 34.673 35.852 46.155 1.00 0.00 C ATOM 365 SD MET A 26 34.368 34.138 45.685 1.00 0.00 S ATOM 366 CE MET A 26 34.914 33.280 47.160 1.00 0.00 C ATOM 0 H MET A 26 32.181 38.558 46.796 1.00 0.00 H new ATOM 0 HA MET A 26 32.013 35.638 46.423 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.242 37.223 47.740 1.00 0.00 H new ATOM 0 HB3 MET A 26 33.936 35.544 48.140 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.454 36.502 45.308 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.730 35.978 46.389 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.407 32.350 46.878 1.00 0.00 H new ATOM 0 HE2 MET A 26 35.614 33.910 47.709 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.054 33.058 47.791 1.00 0.00 H new ATOM 376 N LYS A 27 30.693 35.515 48.501 1.00 0.00 N ATOM 377 CA LYS A 27 29.856 35.434 49.692 1.00 0.00 C ATOM 378 C LYS A 27 29.655 33.984 50.119 1.00 0.00 C ATOM 379 O LYS A 27 30.081 33.060 49.427 1.00 0.00 O ATOM 380 CB LYS A 27 28.500 36.094 49.433 1.00 0.00 C ATOM 381 CG LYS A 27 27.964 36.870 50.623 1.00 0.00 C ATOM 382 CD LYS A 27 27.090 38.033 50.183 1.00 0.00 C ATOM 383 CE LYS A 27 26.363 38.662 51.361 1.00 0.00 C ATOM 384 NZ LYS A 27 26.468 40.147 51.350 1.00 0.00 N ATOM 0 H LYS A 27 30.567 34.745 47.844 1.00 0.00 H new ATOM 0 HA LYS A 27 30.363 35.964 50.498 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.590 36.768 48.581 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.778 35.325 49.156 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.388 36.203 51.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.796 37.244 51.219 1.00 0.00 H new ATOM 0 HD2 LYS A 27 27.705 38.786 49.690 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.363 37.685 49.449 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.313 38.372 51.336 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.778 38.276 52.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.959 40.537 52.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.469 40.425 51.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.049 40.518 50.473 1.00 0.00 H new ATOM 398 N GLU A 28 29.002 33.792 51.261 1.00 0.00 N ATOM 399 CA GLU A 28 28.745 32.453 51.777 1.00 0.00 C ATOM 400 C GLU A 28 27.324 32.006 51.445 1.00 0.00 C ATOM 401 O GLU A 28 26.645 31.395 52.270 1.00 0.00 O ATOM 402 CB GLU A 28 28.961 32.417 53.292 1.00 0.00 C ATOM 403 CG GLU A 28 30.420 32.535 53.701 1.00 0.00 C ATOM 404 CD GLU A 28 30.641 33.585 54.773 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.043 33.456 55.861 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.412 34.535 54.523 1.00 0.00 O ATOM 0 H GLU A 28 28.642 34.546 51.846 1.00 0.00 H new ATOM 0 HA GLU A 28 29.445 31.767 51.300 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.397 33.229 53.751 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.556 31.485 53.686 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.771 31.569 54.065 1.00 0.00 H new ATOM 0 HG3 GLU A 28 31.020 32.783 52.826 1.00 0.00 H new ATOM 413 N ALA A 29 26.882 32.315 50.230 1.00 0.00 N ATOM 414 CA ALA A 29 25.543 31.944 49.787 1.00 0.00 C ATOM 415 C ALA A 29 25.382 32.161 48.287 1.00 0.00 C ATOM 416 O ALA A 29 24.894 31.286 47.572 1.00 0.00 O ATOM 417 CB ALA A 29 24.495 32.738 50.553 1.00 0.00 C ATOM 0 H ALA A 29 27.431 32.821 49.535 1.00 0.00 H new ATOM 0 HA ALA A 29 25.400 30.883 49.991 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.500 32.451 50.212 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.588 32.529 51.619 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.645 33.803 50.377 1.00 0.00 H new ATOM 423 N PHE A 30 25.795 33.333 47.815 1.00 0.00 N ATOM 424 CA PHE A 30 25.694 33.666 46.399 1.00 0.00 C ATOM 425 C PHE A 30 26.731 34.716 46.012 1.00 0.00 C ATOM 426 O PHE A 30 27.383 35.307 46.872 1.00 0.00 O ATOM 427 CB PHE A 30 24.289 34.175 46.072 1.00 0.00 C ATOM 428 CG PHE A 30 23.790 35.216 47.032 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.381 36.468 47.087 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.729 34.943 47.881 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.924 37.427 47.971 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.268 35.899 48.767 1.00 0.00 C ATOM 433 CZ PHE A 30 22.866 37.143 48.811 1.00 0.00 C ATOM 0 H PHE A 30 26.203 34.068 48.393 1.00 0.00 H new ATOM 0 HA PHE A 30 25.888 32.761 45.824 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.287 34.591 45.064 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.597 33.333 46.070 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.208 36.697 46.432 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.257 33.972 47.850 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.395 38.399 48.005 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.441 35.673 49.424 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.507 37.892 49.501 1.00 0.00 H new ATOM 443 N GLY A 31 26.879 34.941 44.710 1.00 0.00 N ATOM 444 CA GLY A 31 27.839 35.919 44.231 1.00 0.00 C ATOM 445 C GLY A 31 27.538 36.383 42.820 1.00 0.00 C ATOM 446 O GLY A 31 26.484 36.068 42.266 1.00 0.00 O ATOM 0 H GLY A 31 26.352 34.464 43.979 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.842 36.779 44.900 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.839 35.487 44.263 1.00 0.00 H new ATOM 450 N PHE A 32 28.464 37.136 42.236 1.00 0.00 N ATOM 451 CA PHE A 32 28.291 37.648 40.881 1.00 0.00 C ATOM 452 C PHE A 32 29.589 37.531 40.086 1.00 0.00 C ATOM 453 O PHE A 32 30.675 37.450 40.660 1.00 0.00 O ATOM 454 CB PHE A 32 27.832 39.107 40.919 1.00 0.00 C ATOM 455 CG PHE A 32 26.609 39.329 41.762 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.715 39.467 43.136 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.354 39.400 41.179 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.590 39.670 43.914 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.226 39.603 41.952 1.00 0.00 C ATOM 460 CZ PHE A 32 24.345 39.740 43.321 1.00 0.00 C ATOM 0 H PHE A 32 29.342 37.405 42.680 1.00 0.00 H new ATOM 0 HA PHE A 32 27.527 37.047 40.387 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.644 39.725 41.301 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.628 39.442 39.902 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.687 39.416 43.605 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.256 39.296 40.109 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.685 39.774 44.985 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.253 39.654 41.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.466 39.902 43.927 1.00 0.00 H new ATOM 470 N ILE A 33 29.466 37.524 38.763 1.00 0.00 N ATOM 471 CA ILE A 33 30.629 37.418 37.890 1.00 0.00 C ATOM 472 C ILE A 33 30.657 38.554 36.873 1.00 0.00 C ATOM 473 O ILE A 33 29.620 38.951 36.343 1.00 0.00 O ATOM 474 CB ILE A 33 30.649 36.073 37.140 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.650 34.910 38.135 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.861 35.995 36.225 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.662 33.818 37.788 1.00 0.00 C ATOM 0 H ILE A 33 28.574 37.590 38.273 1.00 0.00 H new ATOM 0 HA ILE A 33 31.510 37.482 38.528 1.00 0.00 H new ATOM 0 HB ILE A 33 29.750 36.002 36.527 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.651 34.482 38.180 1.00 0.00 H new ATOM 0 HG13 ILE A 33 30.422 35.293 39.130 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.861 35.039 35.702 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.821 36.806 35.498 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.771 36.084 36.818 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.717 33.027 38.535 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.654 34.232 37.771 1.00 0.00 H new ATOM 0 HD13 ILE A 33 29.903 33.408 36.807 1.00 0.00 H new ATOM 489 N GLU A 34 31.852 39.071 36.605 1.00 0.00 N ATOM 490 CA GLU A 34 32.015 40.162 35.650 1.00 0.00 C ATOM 491 C GLU A 34 32.546 39.642 34.317 1.00 0.00 C ATOM 492 O GLU A 34 33.585 38.984 34.265 1.00 0.00 O ATOM 493 CB GLU A 34 32.964 41.223 36.212 1.00 0.00 C ATOM 494 CG GLU A 34 32.410 42.635 36.137 1.00 0.00 C ATOM 495 CD GLU A 34 33.498 43.683 36.001 1.00 0.00 C ATOM 496 OE1 GLU A 34 34.501 43.409 35.310 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.347 44.775 36.587 1.00 0.00 O ATOM 0 H GLU A 34 32.721 38.753 37.035 1.00 0.00 H new ATOM 0 HA GLU A 34 31.037 40.613 35.481 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.188 40.984 37.252 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.906 41.182 35.666 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.731 42.710 35.288 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.824 42.839 37.033 1.00 0.00 H new ATOM 601 N GLU A 41 26.547 41.502 34.277 1.00 0.00 N ATOM 602 CA GLU A 41 26.745 40.606 35.411 1.00 0.00 C ATOM 603 C GLU A 41 25.541 39.688 35.596 1.00 0.00 C ATOM 604 O GLU A 41 24.477 39.918 35.021 1.00 0.00 O ATOM 605 CB GLU A 41 26.988 41.412 36.689 1.00 0.00 C ATOM 606 CG GLU A 41 25.815 42.293 37.085 1.00 0.00 C ATOM 607 CD GLU A 41 25.814 43.624 36.358 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.885 44.031 35.861 1.00 0.00 O ATOM 609 OE2 GLU A 41 24.740 44.258 36.285 1.00 0.00 O ATOM 0 HA GLU A 41 27.621 39.990 35.206 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.207 40.725 37.506 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.871 42.037 36.552 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.883 41.768 36.875 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.845 42.470 38.160 1.00 0.00 H new ATOM 616 N ILE A 42 25.717 38.647 36.403 1.00 0.00 N ATOM 617 CA ILE A 42 24.645 37.695 36.665 1.00 0.00 C ATOM 618 C ILE A 42 24.682 37.209 38.110 1.00 0.00 C ATOM 619 O ILE A 42 25.665 37.418 38.822 1.00 0.00 O ATOM 620 CB ILE A 42 24.730 36.478 35.724 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.782 35.488 36.229 1.00 0.00 C ATOM 622 CG2 ILE A 42 25.054 36.927 34.307 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.161 36.093 36.372 1.00 0.00 C ATOM 0 H ILE A 42 26.591 38.442 36.886 1.00 0.00 H new ATOM 0 HA ILE A 42 23.707 38.219 36.484 1.00 0.00 H new ATOM 0 HB ILE A 42 23.762 35.976 35.713 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.465 35.094 37.195 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.834 34.643 35.542 1.00 0.00 H new ATOM 0 HG21 ILE A 42 25.111 36.056 33.654 1.00 0.00 H new ATOM 0 HG22 ILE A 42 24.273 37.598 33.950 1.00 0.00 H new ATOM 0 HG23 ILE A 42 26.011 37.449 34.300 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.855 35.335 36.734 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.499 36.462 35.403 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.124 36.919 37.082 1.00 0.00 H new ATOM 635 N PHE A 43 23.606 36.558 38.538 1.00 0.00 N ATOM 636 CA PHE A 43 23.515 36.041 39.898 1.00 0.00 C ATOM 637 C PHE A 43 23.550 34.515 39.904 1.00 0.00 C ATOM 638 O PHE A 43 22.679 33.861 39.330 1.00 0.00 O ATOM 639 CB PHE A 43 22.232 36.535 40.570 1.00 0.00 C ATOM 640 CG PHE A 43 22.008 35.953 41.937 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.360 34.738 42.089 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.446 36.621 43.069 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.152 34.201 43.345 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.241 36.089 44.328 1.00 0.00 C ATOM 645 CZ PHE A 43 21.594 34.876 44.466 1.00 0.00 C ATOM 0 H PHE A 43 22.784 36.376 37.962 1.00 0.00 H new ATOM 0 HA PHE A 43 24.375 36.409 40.457 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.268 37.622 40.648 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.381 36.289 39.935 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.014 34.205 41.216 1.00 0.00 H new ATOM 0 HD2 PHE A 43 22.954 37.569 42.966 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.644 33.254 43.450 1.00 0.00 H new ATOM 0 HE2 PHE A 43 22.586 36.621 45.203 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.434 34.457 45.448 1.00 0.00 H new ATOM 655 N PHE A 44 24.563 33.955 40.556 1.00 0.00 N ATOM 656 CA PHE A 44 24.714 32.507 40.636 1.00 0.00 C ATOM 657 C PHE A 44 24.773 32.045 42.089 1.00 0.00 C ATOM 658 O PHE A 44 25.317 32.737 42.950 1.00 0.00 O ATOM 659 CB PHE A 44 25.978 32.063 39.896 1.00 0.00 C ATOM 660 CG PHE A 44 27.248 32.408 40.620 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.859 33.636 40.428 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.832 31.503 41.492 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.028 33.957 41.092 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.000 31.818 42.160 1.00 0.00 C ATOM 665 CZ PHE A 44 29.599 33.046 41.959 1.00 0.00 C ATOM 0 H PHE A 44 25.292 34.482 41.037 1.00 0.00 H new ATOM 0 HA PHE A 44 23.845 32.050 40.163 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.939 30.985 39.741 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.994 32.527 38.910 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.417 34.352 39.751 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.369 30.540 41.651 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.494 34.918 40.933 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.444 31.105 42.839 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.513 33.294 42.479 1.00 0.00 H new ATOM 675 N HIS A 45 24.209 30.871 42.354 1.00 0.00 N ATOM 676 CA HIS A 45 24.196 30.316 43.703 1.00 0.00 C ATOM 677 C HIS A 45 25.258 29.231 43.853 1.00 0.00 C ATOM 678 O HIS A 45 25.363 28.331 43.019 1.00 0.00 O ATOM 679 CB HIS A 45 22.816 29.745 44.029 1.00 0.00 C ATOM 680 CG HIS A 45 22.274 30.204 45.348 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.557 29.570 46.539 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.464 31.243 45.659 1.00 0.00 C ATOM 683 CE1 HIS A 45 21.942 30.198 47.526 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.273 31.217 47.018 1.00 0.00 N ATOM 0 H HIS A 45 23.755 30.286 41.653 1.00 0.00 H new ATOM 0 HA HIS A 45 24.422 31.120 44.403 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.119 30.029 43.241 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.873 28.656 44.028 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.046 31.959 44.967 1.00 0.00 H new ATOM 0 HE1 HIS A 45 21.980 29.924 48.570 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.706 31.878 47.549 1.00 0.00 H new ATOM 692 N TYR A 46 26.043 29.322 44.921 1.00 0.00 N ATOM 693 CA TYR A 46 27.098 28.349 45.179 1.00 0.00 C ATOM 694 C TYR A 46 26.550 26.926 45.133 1.00 0.00 C ATOM 695 O TYR A 46 27.263 25.986 44.780 1.00 0.00 O ATOM 696 CB TYR A 46 27.744 28.616 46.539 1.00 0.00 C ATOM 697 CG TYR A 46 28.713 29.777 46.533 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.264 31.082 46.698 1.00 0.00 C ATOM 699 CD2 TYR A 46 30.076 29.570 46.360 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.145 32.146 46.692 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.964 30.628 46.355 1.00 0.00 C ATOM 702 CZ TYR A 46 30.493 31.914 46.520 1.00 0.00 C ATOM 703 OH TYR A 46 31.375 32.971 46.514 1.00 0.00 O ATOM 0 H TYR A 46 25.969 30.059 45.622 1.00 0.00 H new ATOM 0 HA TYR A 46 27.853 28.453 44.399 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.961 28.811 47.271 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.269 27.718 46.865 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.209 31.267 46.833 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.447 28.565 46.227 1.00 0.00 H new ATOM 0 HE1 TYR A 46 28.780 33.154 46.821 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.021 30.449 46.223 1.00 0.00 H new ATOM 0 HH TYR A 46 32.217 32.692 46.097 1.00 0.00 H new ATOM 713 N SER A 47 25.279 26.776 45.492 1.00 0.00 N ATOM 714 CA SER A 47 24.635 25.468 45.496 1.00 0.00 C ATOM 715 C SER A 47 24.730 24.812 44.122 1.00 0.00 C ATOM 716 O SER A 47 24.781 23.588 44.010 1.00 0.00 O ATOM 717 CB SER A 47 23.169 25.599 45.911 1.00 0.00 C ATOM 718 OG SER A 47 22.973 26.732 46.740 1.00 0.00 O ATOM 0 H SER A 47 24.675 27.544 45.784 1.00 0.00 H new ATOM 0 HA SER A 47 25.154 24.837 46.217 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.542 25.681 45.023 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.856 24.699 46.440 1.00 0.00 H new ATOM 0 HG SER A 47 22.810 27.521 46.182 1.00 0.00 H new ATOM 724 N GLU A 48 24.753 25.637 43.080 1.00 0.00 N ATOM 725 CA GLU A 48 24.840 25.137 41.713 1.00 0.00 C ATOM 726 C GLU A 48 26.295 25.024 41.267 1.00 0.00 C ATOM 727 O GLU A 48 26.630 24.214 40.402 1.00 0.00 O ATOM 728 CB GLU A 48 24.074 26.057 40.760 1.00 0.00 C ATOM 729 CG GLU A 48 22.725 25.502 40.332 1.00 0.00 C ATOM 730 CD GLU A 48 21.960 24.878 41.483 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.732 25.575 42.493 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.588 23.690 41.372 1.00 0.00 O ATOM 0 H GLU A 48 24.713 26.653 43.156 1.00 0.00 H new ATOM 0 HA GLU A 48 24.391 24.144 41.687 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.924 27.023 41.243 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.682 26.235 39.873 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.128 26.303 39.896 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.874 24.755 39.552 1.00 0.00 H new ATOM 739 N PHE A 49 27.156 25.842 41.863 1.00 0.00 N ATOM 740 CA PHE A 49 28.575 25.835 41.527 1.00 0.00 C ATOM 741 C PHE A 49 29.151 24.426 41.627 1.00 0.00 C ATOM 742 O PHE A 49 28.898 23.706 42.592 1.00 0.00 O ATOM 743 CB PHE A 49 29.344 26.780 42.453 1.00 0.00 C ATOM 744 CG PHE A 49 30.832 26.736 42.253 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.385 27.003 41.011 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.678 26.427 43.306 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.754 26.963 40.823 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.048 26.385 43.124 1.00 0.00 C ATOM 749 CZ PHE A 49 33.586 26.655 41.882 1.00 0.00 C ATOM 0 H PHE A 49 26.896 26.518 42.581 1.00 0.00 H new ATOM 0 HA PHE A 49 28.681 26.179 40.498 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.994 27.799 42.291 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.117 26.526 43.488 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.739 27.245 40.180 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.262 26.216 44.280 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.173 27.172 39.850 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.696 26.141 43.953 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.656 26.626 41.738 1.00 0.00 H new ATOM 759 N LYS A 50 29.927 24.038 40.620 1.00 0.00 N ATOM 760 CA LYS A 50 30.541 22.716 40.592 1.00 0.00 C ATOM 761 C LYS A 50 32.062 22.823 40.546 1.00 0.00 C ATOM 762 O LYS A 50 32.669 22.722 39.481 1.00 0.00 O ATOM 763 CB LYS A 50 30.038 21.923 39.384 1.00 0.00 C ATOM 764 CG LYS A 50 28.525 21.912 39.251 1.00 0.00 C ATOM 765 CD LYS A 50 27.868 21.200 40.422 1.00 0.00 C ATOM 766 CE LYS A 50 27.995 19.690 40.298 1.00 0.00 C ATOM 767 NZ LYS A 50 27.086 19.140 39.254 1.00 0.00 N ATOM 0 H LYS A 50 30.145 24.621 39.812 1.00 0.00 H new ATOM 0 HA LYS A 50 30.259 22.193 41.506 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.471 22.345 38.477 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.395 20.896 39.460 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.156 22.936 39.193 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.244 21.419 38.320 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.328 21.530 41.354 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.814 21.475 40.472 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.026 19.431 40.055 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.768 19.227 41.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.062 18.103 39.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.127 19.519 39.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 27.433 19.414 38.313 1.00 0.00 H new ATOM 781 N GLY A 51 32.672 23.027 41.710 1.00 0.00 N ATOM 782 CA GLY A 51 34.117 23.142 41.779 1.00 0.00 C ATOM 783 C GLY A 51 34.643 22.990 43.193 1.00 0.00 C ATOM 784 O GLY A 51 34.172 22.142 43.950 1.00 0.00 O ATOM 0 H GLY A 51 32.192 23.115 42.605 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.570 22.382 41.142 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.421 24.111 41.384 1.00 0.00 H new ATOM 788 N ASP A 52 35.624 23.812 43.548 1.00 0.00 N ATOM 789 CA ASP A 52 36.216 23.765 44.880 1.00 0.00 C ATOM 790 C ASP A 52 35.859 25.015 45.678 1.00 0.00 C ATOM 791 O ASP A 52 36.542 26.037 45.592 1.00 0.00 O ATOM 792 CB ASP A 52 37.736 23.625 44.782 1.00 0.00 C ATOM 793 CG ASP A 52 38.156 22.543 43.806 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.105 21.353 44.182 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.534 22.887 42.667 1.00 0.00 O ATOM 0 H ASP A 52 36.026 24.519 42.932 1.00 0.00 H new ATOM 0 HA ASP A 52 35.812 22.896 45.399 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.166 24.577 44.472 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.141 23.398 45.768 1.00 0.00 H new ATOM 800 N LEU A 53 34.784 24.929 46.454 1.00 0.00 N ATOM 801 CA LEU A 53 34.334 26.053 47.267 1.00 0.00 C ATOM 802 C LEU A 53 35.324 26.342 48.392 1.00 0.00 C ATOM 803 O LEU A 53 35.281 27.404 49.011 1.00 0.00 O ATOM 804 CB LEU A 53 32.950 25.765 47.851 1.00 0.00 C ATOM 805 CG LEU A 53 31.827 26.704 47.411 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.680 25.914 46.799 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.336 27.535 48.587 1.00 0.00 C ATOM 0 H LEU A 53 34.208 24.092 46.537 1.00 0.00 H new ATOM 0 HA LEU A 53 34.274 26.932 46.626 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.670 24.746 47.584 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.022 25.801 48.938 1.00 0.00 H new ATOM 0 HG LEU A 53 32.221 27.381 46.653 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.890 26.599 46.492 1.00 0.00 H new ATOM 0 HD12 LEU A 53 31.041 25.363 45.931 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.287 25.214 47.536 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.537 28.198 48.256 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.959 26.874 49.367 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.160 28.129 48.982 1.00 0.00 H new ATOM 819 N GLU A 54 36.214 25.389 48.649 1.00 0.00 N ATOM 820 CA GLU A 54 37.215 25.542 49.698 1.00 0.00 C ATOM 821 C GLU A 54 38.344 26.463 49.243 1.00 0.00 C ATOM 822 O GLU A 54 38.869 27.255 50.026 1.00 0.00 O ATOM 823 CB GLU A 54 37.783 24.178 50.095 1.00 0.00 C ATOM 824 CG GLU A 54 38.392 23.411 48.933 1.00 0.00 C ATOM 825 CD GLU A 54 38.086 21.927 48.990 1.00 0.00 C ATOM 826 OE1 GLU A 54 37.821 21.419 50.099 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.112 21.274 47.926 1.00 0.00 O ATOM 0 H GLU A 54 36.262 24.503 48.145 1.00 0.00 H new ATOM 0 HA GLU A 54 36.730 25.991 50.565 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.543 24.320 50.864 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.988 23.578 50.539 1.00 0.00 H new ATOM 0 HG2 GLU A 54 38.016 23.820 47.995 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.472 23.556 48.933 1.00 0.00 H new ATOM 834 N THR A 55 38.713 26.352 47.970 1.00 0.00 N ATOM 835 CA THR A 55 39.780 27.172 47.410 1.00 0.00 C ATOM 836 C THR A 55 39.320 27.882 46.142 1.00 0.00 C ATOM 837 O THR A 55 39.482 27.365 45.036 1.00 0.00 O ATOM 838 CB THR A 55 41.028 26.328 47.089 1.00 0.00 C ATOM 839 OG1 THR A 55 40.711 25.343 46.099 1.00 0.00 O ATOM 840 CG2 THR A 55 41.555 25.644 48.341 1.00 0.00 C ATOM 0 H THR A 55 38.289 25.702 47.308 1.00 0.00 H new ATOM 0 HA THR A 55 40.038 27.914 48.165 1.00 0.00 H new ATOM 0 HB THR A 55 41.801 26.993 46.705 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.164 25.751 45.395 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.436 25.054 48.090 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.822 26.397 49.082 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.785 24.990 48.750 1.00 0.00 H new ATOM 848 N LEU A 56 38.746 29.068 46.308 1.00 0.00 N ATOM 849 CA LEU A 56 38.263 29.850 45.175 1.00 0.00 C ATOM 850 C LEU A 56 38.456 31.343 45.422 1.00 0.00 C ATOM 851 O LEU A 56 37.579 32.008 45.974 1.00 0.00 O ATOM 852 CB LEU A 56 36.785 29.551 44.917 1.00 0.00 C ATOM 853 CG LEU A 56 36.085 30.453 43.901 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.564 30.142 42.491 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.575 30.297 44.000 1.00 0.00 C ATOM 0 H LEU A 56 38.603 29.510 47.216 1.00 0.00 H new ATOM 0 HA LEU A 56 38.843 29.568 44.296 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.698 28.519 44.577 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.250 29.621 45.864 1.00 0.00 H new ATOM 0 HG LEU A 56 36.339 31.488 44.128 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.055 30.794 41.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.640 30.307 42.428 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.342 29.102 42.252 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.093 30.947 43.269 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.302 29.261 43.800 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.246 30.572 45.002 1.00 0.00 H new ATOM 867 N GLN A 57 39.607 31.862 45.008 1.00 0.00 N ATOM 868 CA GLN A 57 39.913 33.277 45.183 1.00 0.00 C ATOM 869 C GLN A 57 41.230 33.638 44.504 1.00 0.00 C ATOM 870 O GLN A 57 42.057 32.777 44.204 1.00 0.00 O ATOM 871 CB GLN A 57 39.981 33.625 46.671 1.00 0.00 C ATOM 872 CG GLN A 57 38.756 34.368 47.179 1.00 0.00 C ATOM 873 CD GLN A 57 38.274 33.850 48.520 1.00 0.00 C ATOM 874 OE1 GLN A 57 38.343 34.696 49.541 1.00 0.00 O flip ATOM 875 NE2 GLN A 57 37.843 32.703 48.636 1.00 0.00 N flip ATOM 0 H GLN A 57 40.343 31.325 44.549 1.00 0.00 H new ATOM 0 HA GLN A 57 39.115 33.855 44.717 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.102 32.706 47.245 1.00 0.00 H new ATOM 0 HB3 GLN A 57 40.866 34.234 46.853 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.990 35.429 47.266 1.00 0.00 H new ATOM 0 HG3 GLN A 57 37.952 34.278 46.449 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.808 32.087 47.824 1.00 0.00 H new ATOM 0 HE22 GLN A 57 37.521 32.369 49.544 1.00 0.00 H new ATOM 884 N PRO A 58 41.430 34.940 44.254 1.00 0.00 N ATOM 885 CA PRO A 58 40.452 35.973 44.606 1.00 0.00 C ATOM 886 C PRO A 58 39.196 35.901 43.744 1.00 0.00 C ATOM 887 O PRO A 58 38.081 36.051 44.241 1.00 0.00 O ATOM 888 CB PRO A 58 41.206 37.280 44.344 1.00 0.00 C ATOM 889 CG PRO A 58 42.231 36.927 43.323 1.00 0.00 C ATOM 890 CD PRO A 58 42.627 35.504 43.608 1.00 0.00 C ATOM 0 HA PRO A 58 40.099 35.867 45.632 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.535 38.058 43.979 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.669 37.660 45.255 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.828 37.025 42.315 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.092 37.592 43.388 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.881 34.967 42.694 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.498 35.452 44.261 1.00 0.00 H new ATOM 898 N GLY A 59 39.386 35.669 42.448 1.00 0.00 N ATOM 899 CA GLY A 59 38.259 35.580 41.538 1.00 0.00 C ATOM 900 C GLY A 59 38.571 34.750 40.309 1.00 0.00 C ATOM 901 O GLY A 59 38.546 35.256 39.187 1.00 0.00 O ATOM 0 H GLY A 59 40.300 35.541 42.013 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.408 35.144 42.061 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.964 36.583 41.230 1.00 0.00 H new ATOM 905 N ASP A 60 38.866 33.472 40.520 1.00 0.00 N ATOM 906 CA ASP A 60 39.185 32.570 39.419 1.00 0.00 C ATOM 907 C ASP A 60 38.106 32.623 38.342 1.00 0.00 C ATOM 908 O ASP A 60 36.932 32.852 38.636 1.00 0.00 O ATOM 909 CB ASP A 60 39.339 31.138 39.934 1.00 0.00 C ATOM 910 CG ASP A 60 40.757 30.828 40.370 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.666 30.883 39.516 1.00 0.00 O ATOM 912 OD2 ASP A 60 40.959 30.532 41.566 1.00 0.00 O ATOM 0 H ASP A 60 38.891 33.037 41.442 1.00 0.00 H new ATOM 0 HA ASP A 60 40.128 32.893 38.979 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.662 30.982 40.774 1.00 0.00 H new ATOM 0 HB3 ASP A 60 39.042 30.440 39.151 1.00 0.00 H new ATOM 917 N ASP A 61 38.511 32.412 37.095 1.00 0.00 N ATOM 918 CA ASP A 61 37.579 32.436 35.974 1.00 0.00 C ATOM 919 C ASP A 61 36.537 31.330 36.110 1.00 0.00 C ATOM 920 O ASP A 61 36.859 30.201 36.479 1.00 0.00 O ATOM 921 CB ASP A 61 38.334 32.283 34.652 1.00 0.00 C ATOM 922 CG ASP A 61 39.465 33.283 34.513 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.214 34.398 34.011 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.602 32.949 34.907 1.00 0.00 O ATOM 0 H ASP A 61 39.479 32.222 36.835 1.00 0.00 H new ATOM 0 HA ASP A 61 37.065 33.397 35.981 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.736 31.272 34.581 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.638 32.408 33.823 1.00 0.00 H new ATOM 929 N VAL A 62 35.286 31.664 35.810 1.00 0.00 N ATOM 930 CA VAL A 62 34.196 30.699 35.898 1.00 0.00 C ATOM 931 C VAL A 62 33.271 30.802 34.690 1.00 0.00 C ATOM 932 O VAL A 62 33.211 31.839 34.030 1.00 0.00 O ATOM 933 CB VAL A 62 33.369 30.902 37.182 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.211 30.603 38.412 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.812 32.317 37.238 1.00 0.00 C ATOM 0 H VAL A 62 35.002 32.595 35.504 1.00 0.00 H new ATOM 0 HA VAL A 62 34.651 29.709 35.920 1.00 0.00 H new ATOM 0 HB VAL A 62 32.530 30.206 37.168 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.610 30.752 39.309 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.557 29.570 38.374 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.071 31.273 38.436 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.230 32.443 38.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.634 33.032 37.230 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.172 32.490 36.373 1.00 0.00 H new ATOM 945 N GLU A 63 32.553 29.720 34.407 1.00 0.00 N ATOM 946 CA GLU A 63 31.631 29.689 33.278 1.00 0.00 C ATOM 947 C GLU A 63 30.185 29.612 33.757 1.00 0.00 C ATOM 948 O GLU A 63 29.911 29.153 34.867 1.00 0.00 O ATOM 949 CB GLU A 63 31.943 28.498 32.369 1.00 0.00 C ATOM 950 CG GLU A 63 31.593 28.738 30.910 1.00 0.00 C ATOM 951 CD GLU A 63 31.319 27.450 30.157 1.00 0.00 C ATOM 952 OE1 GLU A 63 30.358 26.742 30.524 1.00 0.00 O ATOM 953 OE2 GLU A 63 32.065 27.151 29.201 1.00 0.00 O ATOM 0 H GLU A 63 32.592 28.854 34.944 1.00 0.00 H new ATOM 0 HA GLU A 63 31.759 30.612 32.713 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.004 28.262 32.445 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.396 27.626 32.726 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.716 29.382 30.852 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.412 29.270 30.426 1.00 0.00 H new ATOM 960 N PHE A 64 29.263 30.065 32.914 1.00 0.00 N ATOM 961 CA PHE A 64 27.844 30.049 33.252 1.00 0.00 C ATOM 962 C PHE A 64 26.986 30.195 31.999 1.00 0.00 C ATOM 963 O PHE A 64 27.485 30.532 30.924 1.00 0.00 O ATOM 964 CB PHE A 64 27.521 31.173 34.238 1.00 0.00 C ATOM 965 CG PHE A 64 27.868 32.541 33.724 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.043 33.185 32.817 1.00 0.00 C ATOM 967 CD2 PHE A 64 29.020 33.183 34.149 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.360 34.443 32.342 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.343 34.442 33.678 1.00 0.00 C ATOM 970 CZ PHE A 64 28.511 35.073 32.774 1.00 0.00 C ATOM 0 H PHE A 64 29.473 30.448 31.992 1.00 0.00 H new ATOM 0 HA PHE A 64 27.617 29.090 33.718 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.458 31.142 34.476 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.061 30.996 35.168 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.141 32.698 32.477 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.673 32.694 34.857 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.709 34.933 31.634 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.244 34.931 34.016 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.760 36.057 32.406 1.00 0.00 H new ATOM 980 N THR A 65 25.690 29.937 32.144 1.00 0.00 N ATOM 981 CA THR A 65 24.761 30.037 31.025 1.00 0.00 C ATOM 982 C THR A 65 23.632 31.015 31.333 1.00 0.00 C ATOM 983 O THR A 65 23.188 31.123 32.476 1.00 0.00 O ATOM 984 CB THR A 65 24.155 28.665 30.674 1.00 0.00 C ATOM 985 OG1 THR A 65 23.418 28.754 29.449 1.00 0.00 O ATOM 986 CG2 THR A 65 23.240 28.177 31.787 1.00 0.00 C ATOM 0 H THR A 65 25.260 29.657 33.026 1.00 0.00 H new ATOM 0 HA THR A 65 25.332 30.403 30.172 1.00 0.00 H new ATOM 0 HB THR A 65 24.971 27.952 30.556 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.037 27.877 29.232 1.00 0.00 H new ATOM 0 HG21 THR A 65 22.824 27.207 31.517 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.810 28.083 32.711 1.00 0.00 H new ATOM 0 HG23 THR A 65 22.430 28.892 31.932 1.00 0.00 H new ATOM 994 N ILE A 66 23.173 31.723 30.307 1.00 0.00 N ATOM 995 CA ILE A 66 22.095 32.691 30.469 1.00 0.00 C ATOM 996 C ILE A 66 20.789 32.161 29.886 1.00 0.00 C ATOM 997 O ILE A 66 20.682 31.932 28.681 1.00 0.00 O ATOM 998 CB ILE A 66 22.437 34.033 29.796 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.833 34.498 30.216 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.394 35.083 30.149 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.955 34.782 31.697 1.00 0.00 C ATOM 0 H ILE A 66 23.530 31.645 29.355 1.00 0.00 H new ATOM 0 HA ILE A 66 21.974 32.852 31.540 1.00 0.00 H new ATOM 0 HB ILE A 66 22.432 33.893 28.715 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.560 33.734 29.940 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.090 35.399 29.659 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.649 36.026 29.666 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.414 34.753 29.805 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.370 35.224 31.230 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.971 35.107 31.923 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.252 35.567 31.976 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.730 33.877 32.261 1.00 0.00 H new ATOM 1013 N LYS A 67 19.797 31.969 30.749 1.00 0.00 N ATOM 1014 CA LYS A 67 18.496 31.469 30.321 1.00 0.00 C ATOM 1015 C LYS A 67 17.634 32.600 29.767 1.00 0.00 C ATOM 1016 O LYS A 67 18.083 33.741 29.663 1.00 0.00 O ATOM 1017 CB LYS A 67 17.777 30.792 31.490 1.00 0.00 C ATOM 1018 CG LYS A 67 18.585 29.680 32.138 1.00 0.00 C ATOM 1019 CD LYS A 67 18.721 28.480 31.217 1.00 0.00 C ATOM 1020 CE LYS A 67 19.702 27.459 31.772 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.007 26.350 32.482 1.00 0.00 N ATOM 0 H LYS A 67 19.869 32.152 31.750 1.00 0.00 H new ATOM 0 HA LYS A 67 18.658 30.738 29.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.538 31.543 32.243 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.830 30.383 31.136 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.575 30.053 32.399 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.104 29.374 33.067 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.746 28.012 31.081 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.056 28.811 30.234 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.300 27.050 30.958 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.391 27.953 32.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.710 25.676 32.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.456 26.737 33.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.368 25.862 31.822 1.00 0.00 H new ATOM 1129 N VAL A 74 19.954 35.477 35.907 1.00 0.00 N ATOM 1130 CA VAL A 74 20.647 34.607 36.849 1.00 0.00 C ATOM 1131 C VAL A 74 21.359 33.469 36.126 1.00 0.00 C ATOM 1132 O VAL A 74 20.847 32.925 35.148 1.00 0.00 O ATOM 1133 CB VAL A 74 19.674 34.013 37.885 1.00 0.00 C ATOM 1134 CG1 VAL A 74 18.979 35.121 38.661 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.657 33.110 37.203 1.00 0.00 C ATOM 0 HA VAL A 74 21.384 35.223 37.365 1.00 0.00 H new ATOM 0 HB VAL A 74 20.245 33.411 38.591 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.296 34.682 39.388 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.724 35.724 39.181 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.419 35.752 37.971 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.977 32.699 37.949 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.089 33.688 36.474 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.175 32.296 36.696 1.00 0.00 H new ATOM 1145 N ALA A 75 22.543 33.114 36.614 1.00 0.00 N ATOM 1146 CA ALA A 75 23.324 32.039 36.015 1.00 0.00 C ATOM 1147 C ALA A 75 22.989 30.696 36.653 1.00 0.00 C ATOM 1148 O ALA A 75 22.684 30.620 37.844 1.00 0.00 O ATOM 1149 CB ALA A 75 24.812 32.332 36.147 1.00 0.00 C ATOM 0 H ALA A 75 22.982 33.555 37.422 1.00 0.00 H new ATOM 0 HA ALA A 75 23.068 31.983 34.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.384 31.521 35.696 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.045 33.267 35.638 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.074 32.417 37.202 1.00 0.00 H new ATOM 1155 N THR A 76 23.046 29.635 35.854 1.00 0.00 N ATOM 1156 CA THR A 76 22.746 28.294 36.340 1.00 0.00 C ATOM 1157 C THR A 76 23.849 27.312 35.960 1.00 0.00 C ATOM 1158 O THR A 76 24.401 27.379 34.861 1.00 0.00 O ATOM 1159 CB THR A 76 21.404 27.782 35.785 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.995 28.586 34.673 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.328 27.810 36.860 1.00 0.00 C ATOM 0 H THR A 76 23.297 29.679 34.866 1.00 0.00 H new ATOM 0 HA THR A 76 22.680 28.359 37.426 1.00 0.00 H new ATOM 0 HB THR A 76 21.541 26.752 35.457 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.032 28.477 34.527 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.389 27.444 36.445 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.629 27.174 37.693 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.194 28.832 37.214 1.00 0.00 H new ATOM 1169 N ASP A 77 24.164 26.401 36.873 1.00 0.00 N ATOM 1170 CA ASP A 77 25.200 25.403 36.632 1.00 0.00 C ATOM 1171 C ASP A 77 26.545 26.070 36.366 1.00 0.00 C ATOM 1172 O ASP A 77 27.073 26.006 35.255 1.00 0.00 O ATOM 1173 CB ASP A 77 24.815 24.513 35.450 1.00 0.00 C ATOM 1174 CG ASP A 77 25.444 23.136 35.533 1.00 0.00 C ATOM 1175 OD1 ASP A 77 26.628 23.002 35.161 1.00 0.00 O ATOM 1176 OD2 ASP A 77 24.751 22.192 35.969 1.00 0.00 O ATOM 0 H ASP A 77 23.717 26.332 37.787 1.00 0.00 H new ATOM 0 HA ASP A 77 25.291 24.786 37.526 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.730 24.412 35.413 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.122 24.994 34.521 1.00 0.00 H new ATOM 1181 N VAL A 78 27.096 26.711 37.392 1.00 0.00 N ATOM 1182 CA VAL A 78 28.380 27.391 37.269 1.00 0.00 C ATOM 1183 C VAL A 78 29.537 26.409 37.416 1.00 0.00 C ATOM 1184 O VAL A 78 29.568 25.605 38.347 1.00 0.00 O ATOM 1185 CB VAL A 78 28.529 28.504 38.323 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.897 29.162 38.215 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.420 29.534 38.169 1.00 0.00 C ATOM 0 H VAL A 78 26.673 26.774 38.318 1.00 0.00 H new ATOM 0 HA VAL A 78 28.409 27.837 36.275 1.00 0.00 H new ATOM 0 HB VAL A 78 28.444 28.057 39.313 1.00 0.00 H new ATOM 0 HG11 VAL A 78 29.984 29.946 38.967 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.674 28.415 38.378 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.014 29.597 37.223 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.540 30.313 38.921 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.472 29.978 37.175 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.453 29.049 38.300 1.00 0.00 H new ATOM 1197 N ARG A 79 30.488 26.481 36.490 1.00 0.00 N ATOM 1198 CA ARG A 79 31.648 25.598 36.516 1.00 0.00 C ATOM 1199 C ARG A 79 32.940 26.392 36.348 1.00 0.00 C ATOM 1200 O ARG A 79 33.071 27.197 35.425 1.00 0.00 O ATOM 1201 CB ARG A 79 31.538 24.544 35.412 1.00 0.00 C ATOM 1202 CG ARG A 79 31.249 25.128 34.039 1.00 0.00 C ATOM 1203 CD ARG A 79 31.166 24.042 32.977 1.00 0.00 C ATOM 1204 NE ARG A 79 31.580 24.528 31.664 1.00 0.00 N ATOM 1205 CZ ARG A 79 31.649 23.758 30.584 1.00 0.00 C ATOM 1206 NH1 ARG A 79 31.332 22.473 30.661 1.00 0.00 N ATOM 1207 NH2 ARG A 79 32.034 24.273 29.423 1.00 0.00 N ATOM 0 H ARG A 79 30.478 27.141 35.713 1.00 0.00 H new ATOM 0 HA ARG A 79 31.672 25.099 37.485 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.468 23.978 35.368 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.748 23.839 35.671 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.311 25.682 34.068 1.00 0.00 H new ATOM 0 HG3 ARG A 79 32.031 25.839 33.773 1.00 0.00 H new ATOM 0 HD2 ARG A 79 31.796 23.202 33.268 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.144 23.669 32.919 1.00 0.00 H new ATOM 0 HE ARG A 79 31.830 25.513 31.571 1.00 0.00 H new ATOM 0 HH11 ARG A 79 31.034 22.074 31.551 1.00 0.00 H new ATOM 0 HH12 ARG A 79 31.386 21.884 29.830 1.00 0.00 H new ATOM 0 HH21 ARG A 79 32.277 25.261 29.359 1.00 0.00 H new ATOM 0 HH22 ARG A 79 32.086 23.680 28.595 1.00 0.00 H new ATOM 1221 N LEU A 80 33.890 26.161 37.247 1.00 0.00 N ATOM 1222 CA LEU A 80 35.173 26.856 37.199 1.00 0.00 C ATOM 1223 C LEU A 80 35.834 26.685 35.836 1.00 0.00 C ATOM 1224 O LEU A 80 35.563 25.721 35.118 1.00 0.00 O ATOM 1225 CB LEU A 80 36.099 26.331 38.298 1.00 0.00 C ATOM 1226 CG LEU A 80 36.267 27.233 39.521 1.00 0.00 C ATOM 1227 CD1 LEU A 80 37.005 26.497 40.629 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.002 28.511 39.145 1.00 0.00 C ATOM 0 H LEU A 80 33.797 25.499 38.017 1.00 0.00 H new ATOM 0 HA LEU A 80 34.990 27.918 37.362 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.721 25.365 38.633 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.083 26.155 37.863 1.00 0.00 H new ATOM 0 HG LEU A 80 35.277 27.503 39.889 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.116 27.154 41.491 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.439 25.612 40.918 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.991 26.197 40.273 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.112 29.141 40.028 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.988 28.262 38.752 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.433 29.048 38.386 1.00 0.00 H new ATOM 1240 N LEU A 81 36.704 27.625 35.484 1.00 0.00 N ATOM 1241 CA LEU A 81 37.408 27.578 34.207 1.00 0.00 C ATOM 1242 C LEU A 81 38.833 27.066 34.388 1.00 0.00 C ATOM 1243 O LEU A 81 39.399 27.107 35.481 1.00 0.00 O ATOM 1244 CB LEU A 81 37.430 28.966 33.564 1.00 0.00 C ATOM 1245 CG LEU A 81 36.182 29.361 32.774 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.266 30.814 32.334 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.000 28.446 31.572 1.00 0.00 C ATOM 0 H LEU A 81 36.939 28.430 36.065 1.00 0.00 H new ATOM 0 HA LEU A 81 36.876 26.889 33.552 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.587 29.705 34.349 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.290 29.022 32.897 1.00 0.00 H new ATOM 0 HG LEU A 81 35.314 29.250 33.424 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.369 31.077 31.773 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.346 31.456 33.211 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.143 30.953 31.702 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.107 28.742 31.021 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.870 28.524 30.920 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.892 27.416 31.912 1.00 0.00 H new ATOM 1259 N PRO A 82 39.428 26.573 33.293 1.00 0.00 N ATOM 1260 CA PRO A 82 40.796 26.045 33.305 1.00 0.00 C ATOM 1261 C PRO A 82 41.839 27.141 33.497 1.00 0.00 C ATOM 1262 O PRO A 82 41.579 28.312 33.219 1.00 0.00 O ATOM 1263 CB PRO A 82 40.942 25.406 31.921 1.00 0.00 C ATOM 1264 CG PRO A 82 39.967 26.135 31.062 1.00 0.00 C ATOM 1265 CD PRO A 82 38.813 26.492 31.957 1.00 0.00 C ATOM 0 HA PRO A 82 40.957 25.351 34.130 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.959 25.510 31.542 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.721 24.339 31.952 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.418 27.029 30.632 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.638 25.512 30.230 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.357 27.439 31.667 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.028 25.736 31.921 1.00 0.00 H new