USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 275 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 32 GLN : amide:sc= -8.52! C(o=-8.5!,f=-17!) USER MOD Single : A 34 GLN : amide:sc= -0.631 K(o=-0.63,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0629) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 377 N GLU A 30 11.183 -0.664 9.347 1.00 0.00 N ATOM 378 CA GLU A 30 10.851 0.744 9.475 1.00 0.00 C ATOM 379 C GLU A 30 10.656 1.371 8.093 1.00 0.00 C ATOM 380 O GLU A 30 9.615 1.967 7.819 1.00 0.00 O ATOM 381 CB GLU A 30 11.924 1.491 10.269 1.00 0.00 C ATOM 382 CG GLU A 30 11.391 2.827 10.791 1.00 0.00 C ATOM 383 CD GLU A 30 12.301 3.982 10.369 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.534 4.105 9.147 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.743 4.717 11.279 1.00 0.00 O ATOM 0 HA GLU A 30 9.914 0.827 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.256 0.876 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.794 1.665 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.384 2.995 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.319 2.794 11.878 1.00 0.00 H new ATOM 392 N GLU A 31 11.673 1.216 7.259 1.00 0.00 N ATOM 393 CA GLU A 31 11.627 1.759 5.912 1.00 0.00 C ATOM 394 C GLU A 31 10.236 1.560 5.307 1.00 0.00 C ATOM 395 O GLU A 31 9.620 2.511 4.830 1.00 0.00 O ATOM 396 CB GLU A 31 12.705 1.129 5.029 1.00 0.00 C ATOM 397 CG GLU A 31 13.509 2.203 4.294 1.00 0.00 C ATOM 398 CD GLU A 31 14.073 1.662 2.978 1.00 0.00 C ATOM 399 OE1 GLU A 31 15.052 0.888 3.056 1.00 0.00 O ATOM 400 OE2 GLU A 31 13.513 2.034 1.925 1.00 0.00 O ATOM 0 H GLU A 31 12.535 0.722 7.490 1.00 0.00 H new ATOM 0 HA GLU A 31 11.829 2.829 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.374 0.524 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.241 0.458 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.873 3.065 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.325 2.549 4.928 1.00 0.00 H new ATOM 407 N GLN A 32 9.782 0.316 5.346 1.00 0.00 N ATOM 408 CA GLN A 32 8.475 -0.021 4.807 1.00 0.00 C ATOM 409 C GLN A 32 7.377 0.705 5.586 1.00 0.00 C ATOM 410 O GLN A 32 6.617 1.486 5.013 1.00 0.00 O ATOM 411 CB GLN A 32 8.249 -1.534 4.823 1.00 0.00 C ATOM 412 CG GLN A 32 9.485 -2.279 4.312 1.00 0.00 C ATOM 413 CD GLN A 32 10.044 -1.613 3.053 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.412 -0.450 3.046 1.00 0.00 O ATOM 415 NE2 GLN A 32 10.088 -2.414 1.992 1.00 0.00 N ATOM 0 H GLN A 32 10.296 -0.471 5.742 1.00 0.00 H new ATOM 0 HA GLN A 32 8.436 0.308 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.017 -1.860 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.388 -1.783 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.250 -2.297 5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.226 -3.315 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.764 -3.378 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.446 -2.064 1.103 1.00 0.00 H new ATOM 424 N ILE A 33 7.327 0.423 6.879 1.00 0.00 N ATOM 425 CA ILE A 33 6.334 1.039 7.742 1.00 0.00 C ATOM 426 C ILE A 33 6.176 2.512 7.359 1.00 0.00 C ATOM 427 O ILE A 33 5.063 3.035 7.336 1.00 0.00 O ATOM 428 CB ILE A 33 6.693 0.822 9.213 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.530 -0.648 9.606 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.882 1.751 10.119 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.809 -1.190 10.248 1.00 0.00 C ATOM 0 H ILE A 33 7.959 -0.224 7.350 1.00 0.00 H new ATOM 0 HA ILE A 33 5.362 0.566 7.602 1.00 0.00 H new ATOM 0 HB ILE A 33 7.744 1.077 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.698 -0.752 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.283 -1.239 8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.157 1.576 11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.092 2.788 9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.819 1.552 9.986 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.666 -2.236 10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.634 -1.107 9.541 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.039 -0.613 11.144 1.00 0.00 H new ATOM 443 N GLN A 34 7.306 3.140 7.069 1.00 0.00 N ATOM 444 CA GLN A 34 7.307 4.542 6.688 1.00 0.00 C ATOM 445 C GLN A 34 6.789 4.704 5.258 1.00 0.00 C ATOM 446 O GLN A 34 5.894 5.509 5.005 1.00 0.00 O ATOM 447 CB GLN A 34 8.703 5.150 6.837 1.00 0.00 C ATOM 448 CG GLN A 34 9.196 5.043 8.282 1.00 0.00 C ATOM 449 CD GLN A 34 8.267 5.799 9.235 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.467 6.628 8.835 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.418 5.468 10.514 1.00 0.00 N ATOM 0 H GLN A 34 8.228 2.703 7.090 1.00 0.00 H new ATOM 0 HA GLN A 34 6.638 5.081 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.399 4.638 6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.682 6.196 6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.249 3.995 8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.206 5.446 8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.107 4.765 10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.845 5.917 11.228 1.00 0.00 H new ATOM 460 N LYS A 35 7.373 3.926 4.359 1.00 0.00 N ATOM 461 CA LYS A 35 6.982 3.973 2.960 1.00 0.00 C ATOM 462 C LYS A 35 5.466 3.798 2.853 1.00 0.00 C ATOM 463 O LYS A 35 4.851 4.250 1.889 1.00 0.00 O ATOM 464 CB LYS A 35 7.777 2.950 2.146 1.00 0.00 C ATOM 465 CG LYS A 35 8.874 3.635 1.327 1.00 0.00 C ATOM 466 CD LYS A 35 9.297 2.765 0.142 1.00 0.00 C ATOM 467 CE LYS A 35 8.273 2.847 -0.992 1.00 0.00 C ATOM 468 NZ LYS A 35 8.417 4.121 -1.730 1.00 0.00 N ATOM 0 H LYS A 35 8.115 3.259 4.572 1.00 0.00 H new ATOM 0 HA LYS A 35 7.223 4.945 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.223 2.215 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.105 2.408 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.515 4.599 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.737 3.834 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.273 3.088 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.404 1.730 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.409 2.008 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.265 2.767 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.837 4.090 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.101 4.908 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.414 4.262 -1.989 1.00 0.00 H new ATOM 482 N LEU A 36 4.906 3.140 3.858 1.00 0.00 N ATOM 483 CA LEU A 36 3.473 2.900 3.889 1.00 0.00 C ATOM 484 C LEU A 36 2.798 3.978 4.740 1.00 0.00 C ATOM 485 O LEU A 36 1.851 4.624 4.293 1.00 0.00 O ATOM 486 CB LEU A 36 3.179 1.474 4.358 1.00 0.00 C ATOM 487 CG LEU A 36 3.649 0.352 3.429 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.226 -1.017 3.965 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.159 0.584 1.998 1.00 0.00 C ATOM 0 H LEU A 36 5.419 2.766 4.656 1.00 0.00 H new ATOM 0 HA LEU A 36 3.053 2.975 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.644 1.330 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.103 1.374 4.500 1.00 0.00 H new ATOM 0 HG LEU A 36 4.739 0.364 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.572 -1.796 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.664 -1.173 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.139 -1.058 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.507 -0.227 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.069 0.614 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.551 1.531 1.628 1.00 0.00 H new ATOM 501 N VAL A 37 3.311 4.139 5.951 1.00 0.00 N ATOM 502 CA VAL A 37 2.770 5.127 6.868 1.00 0.00 C ATOM 503 C VAL A 37 2.713 6.487 6.169 1.00 0.00 C ATOM 504 O VAL A 37 1.770 7.253 6.369 1.00 0.00 O ATOM 505 CB VAL A 37 3.593 5.152 8.157 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.344 6.441 8.943 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.302 3.920 9.017 1.00 0.00 C ATOM 0 H VAL A 37 4.096 3.601 6.318 1.00 0.00 H new ATOM 0 HA VAL A 37 1.751 4.865 7.154 1.00 0.00 H new ATOM 0 HB VAL A 37 4.647 5.127 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.941 6.432 9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.625 7.299 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.288 6.511 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.900 3.962 9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.244 3.900 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.555 3.019 8.459 1.00 0.00 H new ATOM 517 N ALA A 38 3.732 6.747 5.364 1.00 0.00 N ATOM 518 CA ALA A 38 3.810 8.001 4.635 1.00 0.00 C ATOM 519 C ALA A 38 2.619 8.106 3.680 1.00 0.00 C ATOM 520 O ALA A 38 2.040 9.179 3.519 1.00 0.00 O ATOM 521 CB ALA A 38 5.152 8.085 3.904 1.00 0.00 C ATOM 0 H ALA A 38 4.511 6.110 5.200 1.00 0.00 H new ATOM 0 HA ALA A 38 3.759 8.847 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.210 9.026 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.965 8.036 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.238 7.253 3.205 1.00 0.00 H new ATOM 527 N MET A 39 2.288 6.976 3.072 1.00 0.00 N ATOM 528 CA MET A 39 1.176 6.927 2.138 1.00 0.00 C ATOM 529 C MET A 39 -0.152 7.186 2.852 1.00 0.00 C ATOM 530 O MET A 39 -1.160 7.475 2.209 1.00 0.00 O ATOM 531 CB MET A 39 1.136 5.554 1.464 1.00 0.00 C ATOM 532 CG MET A 39 2.336 5.363 0.535 1.00 0.00 C ATOM 533 SD MET A 39 1.798 5.369 -1.167 1.00 0.00 S ATOM 534 CE MET A 39 2.075 3.656 -1.586 1.00 0.00 C ATOM 0 H MET A 39 2.770 6.088 3.208 1.00 0.00 H new ATOM 0 HA MET A 39 1.320 7.705 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.132 4.772 2.224 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.212 5.451 0.896 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.063 6.159 0.698 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.837 4.422 0.763 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.789 3.484 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.130 3.416 -1.456 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.475 3.020 -0.934 1.00 0.00 H new ATOM 544 N GLY A 40 -0.110 7.072 4.171 1.00 0.00 N ATOM 545 CA GLY A 40 -1.297 7.290 4.979 1.00 0.00 C ATOM 546 C GLY A 40 -1.818 5.971 5.555 1.00 0.00 C ATOM 547 O GLY A 40 -3.018 5.704 5.517 1.00 0.00 O ATOM 0 H GLY A 40 0.728 6.831 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.067 7.980 5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.073 7.758 4.373 1.00 0.00 H new ATOM 551 N PHE A 41 -0.889 5.182 6.076 1.00 0.00 N ATOM 552 CA PHE A 41 -1.239 3.898 6.659 1.00 0.00 C ATOM 553 C PHE A 41 -0.837 3.838 8.134 1.00 0.00 C ATOM 554 O PHE A 41 -0.107 4.702 8.618 1.00 0.00 O ATOM 555 CB PHE A 41 -0.463 2.830 5.887 1.00 0.00 C ATOM 556 CG PHE A 41 -0.971 2.599 4.462 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.298 2.405 4.237 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.096 2.587 3.422 1.00 0.00 C ATOM 559 CE1 PHE A 41 -2.770 2.191 2.915 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.567 2.372 2.100 1.00 0.00 C ATOM 561 CZ PHE A 41 -1.894 2.179 1.874 1.00 0.00 C ATOM 0 H PHE A 41 0.105 5.407 6.106 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.316 3.742 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.587 3.118 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.514 1.890 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.993 2.414 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.958 2.741 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.824 2.038 2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.129 2.362 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.252 2.016 0.868 1.00 0.00 H new ATOM 571 N ASP A 42 -1.331 2.810 8.808 1.00 0.00 N ATOM 572 CA ASP A 42 -1.033 2.626 10.218 1.00 0.00 C ATOM 573 C ASP A 42 0.131 1.643 10.364 1.00 0.00 C ATOM 574 O ASP A 42 0.121 0.570 9.764 1.00 0.00 O ATOM 575 CB ASP A 42 -2.236 2.048 10.965 1.00 0.00 C ATOM 576 CG ASP A 42 -2.599 2.770 12.264 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.700 3.450 12.805 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.766 2.626 12.687 1.00 0.00 O ATOM 0 H ASP A 42 -1.936 2.095 8.403 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.781 3.599 10.639 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.101 2.069 10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.034 1.001 11.193 1.00 0.00 H new ATOM 583 N ARG A 43 1.107 2.046 11.165 1.00 0.00 N ATOM 584 CA ARG A 43 2.275 1.215 11.398 1.00 0.00 C ATOM 585 C ARG A 43 1.863 -0.252 11.543 1.00 0.00 C ATOM 586 O ARG A 43 2.397 -1.121 10.856 1.00 0.00 O ATOM 587 CB ARG A 43 3.022 1.654 12.658 1.00 0.00 C ATOM 588 CG ARG A 43 4.245 0.770 12.908 1.00 0.00 C ATOM 589 CD ARG A 43 5.362 1.559 13.595 1.00 0.00 C ATOM 590 NE ARG A 43 6.546 0.694 13.790 1.00 0.00 N ATOM 591 CZ ARG A 43 7.763 1.149 14.120 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.962 2.463 14.293 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.780 0.291 14.276 1.00 0.00 N ATOM 0 H ARG A 43 1.112 2.937 11.661 1.00 0.00 H new ATOM 0 HA ARG A 43 2.937 1.327 10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.335 2.693 12.556 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.353 1.606 13.517 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.962 -0.081 13.528 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.608 0.369 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.630 2.426 12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.014 1.936 14.557 1.00 0.00 H new ATOM 0 HE ARG A 43 6.429 -0.312 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.188 3.116 14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.888 2.810 14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.628 -0.709 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.706 0.638 14.527 1.00 0.00 H new ATOM 607 N THR A 44 0.916 -0.481 12.441 1.00 0.00 N ATOM 608 CA THR A 44 0.426 -1.827 12.684 1.00 0.00 C ATOM 609 C THR A 44 -0.056 -2.463 11.380 1.00 0.00 C ATOM 610 O THR A 44 0.431 -3.521 10.983 1.00 0.00 O ATOM 611 CB THR A 44 -0.660 -1.747 13.759 1.00 0.00 C ATOM 612 OG1 THR A 44 0.047 -1.379 14.940 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.254 -3.117 14.093 1.00 0.00 C ATOM 0 H THR A 44 0.475 0.243 13.009 1.00 0.00 H new ATOM 0 HA THR A 44 1.220 -2.477 13.051 1.00 0.00 H new ATOM 0 HB THR A 44 -1.453 -1.078 13.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.582 -1.303 15.688 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.019 -3.004 14.861 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.700 -3.549 13.197 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.467 -3.775 14.460 1.00 0.00 H new ATOM 621 N GLN A 45 -1.008 -1.792 10.748 1.00 0.00 N ATOM 622 CA GLN A 45 -1.562 -2.279 9.496 1.00 0.00 C ATOM 623 C GLN A 45 -0.438 -2.697 8.545 1.00 0.00 C ATOM 624 O GLN A 45 -0.540 -3.720 7.870 1.00 0.00 O ATOM 625 CB GLN A 45 -2.464 -1.226 8.849 1.00 0.00 C ATOM 626 CG GLN A 45 -3.671 -0.918 9.737 1.00 0.00 C ATOM 627 CD GLN A 45 -4.980 -1.110 8.968 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.453 -0.230 8.267 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.537 -2.306 9.137 1.00 0.00 N ATOM 0 H GLN A 45 -1.410 -0.915 11.080 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.176 -3.154 9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.895 -0.313 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.805 -1.582 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.660 -1.569 10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.606 0.107 10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.088 -2.997 9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.413 -2.532 8.666 1.00 0.00 H new ATOM 638 N VAL A 46 0.608 -1.884 8.522 1.00 0.00 N ATOM 639 CA VAL A 46 1.749 -2.156 7.666 1.00 0.00 C ATOM 640 C VAL A 46 2.390 -3.482 8.084 1.00 0.00 C ATOM 641 O VAL A 46 2.583 -4.370 7.255 1.00 0.00 O ATOM 642 CB VAL A 46 2.727 -0.980 7.707 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.941 -1.245 6.814 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.032 0.325 7.315 1.00 0.00 C ATOM 0 H VAL A 46 0.689 -1.036 9.083 1.00 0.00 H new ATOM 0 HA VAL A 46 1.432 -2.261 6.629 1.00 0.00 H new ATOM 0 HB VAL A 46 3.082 -0.875 8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.620 -0.394 6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.457 -2.141 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.611 -1.389 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.749 1.145 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.635 0.236 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.216 0.525 8.009 1.00 0.00 H new ATOM 654 N GLU A 47 2.701 -3.573 9.368 1.00 0.00 N ATOM 655 CA GLU A 47 3.316 -4.774 9.906 1.00 0.00 C ATOM 656 C GLU A 47 2.430 -5.992 9.632 1.00 0.00 C ATOM 657 O GLU A 47 2.860 -6.942 8.979 1.00 0.00 O ATOM 658 CB GLU A 47 3.595 -4.625 11.403 1.00 0.00 C ATOM 659 CG GLU A 47 4.677 -3.573 11.656 1.00 0.00 C ATOM 660 CD GLU A 47 5.447 -3.878 12.943 1.00 0.00 C ATOM 661 OE1 GLU A 47 4.770 -4.089 13.972 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.695 -3.892 12.868 1.00 0.00 O ATOM 0 H GLU A 47 2.539 -2.834 10.052 1.00 0.00 H new ATOM 0 HA GLU A 47 4.273 -4.924 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.679 -4.342 11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.911 -5.583 11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.367 -3.546 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.220 -2.586 11.726 1.00 0.00 H new ATOM 669 N VAL A 48 1.211 -5.923 10.145 1.00 0.00 N ATOM 670 CA VAL A 48 0.261 -7.008 9.964 1.00 0.00 C ATOM 671 C VAL A 48 0.296 -7.473 8.507 1.00 0.00 C ATOM 672 O VAL A 48 0.404 -8.668 8.235 1.00 0.00 O ATOM 673 CB VAL A 48 -1.132 -6.565 10.417 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.188 -7.606 10.040 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.154 -6.280 11.920 1.00 0.00 C ATOM 0 H VAL A 48 0.859 -5.133 10.686 1.00 0.00 H new ATOM 0 HA VAL A 48 0.534 -7.862 10.584 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.375 -5.639 9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.169 -7.267 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.198 -7.739 8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.950 -8.556 10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.155 -5.967 12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.880 -7.183 12.466 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.443 -5.487 12.150 1.00 0.00 H new ATOM 685 N ALA A 49 0.202 -6.504 7.608 1.00 0.00 N ATOM 686 CA ALA A 49 0.221 -6.799 6.185 1.00 0.00 C ATOM 687 C ALA A 49 1.597 -7.348 5.801 1.00 0.00 C ATOM 688 O ALA A 49 1.714 -8.493 5.367 1.00 0.00 O ATOM 689 CB ALA A 49 -0.145 -5.540 5.397 1.00 0.00 C ATOM 0 H ALA A 49 0.112 -5.514 7.837 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.518 -7.562 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.131 -5.762 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.142 -5.207 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.577 -4.752 5.614 1.00 0.00 H new ATOM 695 N LEU A 50 2.604 -6.505 5.974 1.00 0.00 N ATOM 696 CA LEU A 50 3.967 -6.891 5.651 1.00 0.00 C ATOM 697 C LEU A 50 4.190 -8.349 6.057 1.00 0.00 C ATOM 698 O LEU A 50 4.969 -9.061 5.426 1.00 0.00 O ATOM 699 CB LEU A 50 4.964 -5.917 6.283 1.00 0.00 C ATOM 700 CG LEU A 50 5.486 -4.805 5.371 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.155 -3.696 6.186 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.419 -5.369 4.298 1.00 0.00 C ATOM 0 H LEU A 50 2.503 -5.556 6.334 1.00 0.00 H new ATOM 0 HA LEU A 50 4.135 -6.830 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.491 -5.456 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.816 -6.488 6.650 1.00 0.00 H new ATOM 0 HG LEU A 50 4.635 -4.358 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.517 -2.918 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.432 -3.268 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.993 -4.111 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.776 -4.558 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.269 -5.857 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.878 -6.094 3.690 1.00 0.00 H new ATOM 714 N ALA A 51 3.490 -8.750 7.109 1.00 0.00 N ATOM 715 CA ALA A 51 3.602 -10.110 7.607 1.00 0.00 C ATOM 716 C ALA A 51 2.977 -11.072 6.595 1.00 0.00 C ATOM 717 O ALA A 51 3.670 -11.910 6.019 1.00 0.00 O ATOM 718 CB ALA A 51 2.943 -10.206 8.985 1.00 0.00 C ATOM 0 H ALA A 51 2.844 -8.157 7.629 1.00 0.00 H new ATOM 0 HA ALA A 51 4.649 -10.390 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.027 -11.227 9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.441 -9.525 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.890 -9.935 8.905 1.00 0.00 H new ATOM 724 N ALA A 52 1.674 -10.920 6.408 1.00 0.00 N ATOM 725 CA ALA A 52 0.947 -11.765 5.476 1.00 0.00 C ATOM 726 C ALA A 52 1.521 -11.576 4.070 1.00 0.00 C ATOM 727 O ALA A 52 1.356 -12.436 3.207 1.00 0.00 O ATOM 728 CB ALA A 52 -0.545 -11.437 5.545 1.00 0.00 C ATOM 0 H ALA A 52 1.103 -10.224 6.887 1.00 0.00 H new ATOM 0 HA ALA A 52 1.062 -12.816 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.090 -12.071 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.910 -11.615 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.700 -10.391 5.282 1.00 0.00 H new ATOM 734 N ALA A 53 2.184 -10.443 3.883 1.00 0.00 N ATOM 735 CA ALA A 53 2.783 -10.130 2.597 1.00 0.00 C ATOM 736 C ALA A 53 4.105 -10.887 2.458 1.00 0.00 C ATOM 737 O ALA A 53 4.713 -10.889 1.388 1.00 0.00 O ATOM 738 CB ALA A 53 2.961 -8.616 2.472 1.00 0.00 C ATOM 0 H ALA A 53 2.319 -9.731 4.601 1.00 0.00 H new ATOM 0 HA ALA A 53 2.133 -10.450 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.410 -8.381 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.989 -8.128 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.610 -8.259 3.271 1.00 0.00 H new ATOM 744 N ASP A 54 4.512 -11.511 3.553 1.00 0.00 N ATOM 745 CA ASP A 54 5.751 -12.269 3.567 1.00 0.00 C ATOM 746 C ASP A 54 6.933 -11.310 3.410 1.00 0.00 C ATOM 747 O ASP A 54 7.917 -11.635 2.749 1.00 0.00 O ATOM 748 CB ASP A 54 5.797 -13.269 2.409 1.00 0.00 C ATOM 749 CG ASP A 54 6.821 -14.395 2.568 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.317 -14.555 3.704 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.084 -15.070 1.550 1.00 0.00 O ATOM 0 H ASP A 54 4.005 -11.507 4.438 1.00 0.00 H new ATOM 0 HA ASP A 54 5.806 -12.808 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.808 -13.712 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.015 -12.727 1.489 1.00 0.00 H new ATOM 756 N ASP A 55 6.796 -10.147 4.031 1.00 0.00 N ATOM 757 CA ASP A 55 7.840 -9.139 3.969 1.00 0.00 C ATOM 758 C ASP A 55 7.787 -8.439 2.609 1.00 0.00 C ATOM 759 O ASP A 55 8.775 -7.854 2.169 1.00 0.00 O ATOM 760 CB ASP A 55 9.225 -9.770 4.122 1.00 0.00 C ATOM 761 CG ASP A 55 10.322 -8.815 4.598 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.001 -7.618 4.760 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.456 -9.304 4.790 1.00 0.00 O ATOM 0 H ASP A 55 5.978 -9.881 4.579 1.00 0.00 H new ATOM 0 HA ASP A 55 7.674 -8.432 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.154 -10.598 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.523 -10.192 3.162 1.00 0.00 H new ATOM 768 N ASP A 56 6.623 -8.523 1.981 1.00 0.00 N ATOM 769 CA ASP A 56 6.429 -7.905 0.681 1.00 0.00 C ATOM 770 C ASP A 56 5.774 -6.534 0.865 1.00 0.00 C ATOM 771 O ASP A 56 4.835 -6.391 1.646 1.00 0.00 O ATOM 772 CB ASP A 56 5.509 -8.753 -0.200 1.00 0.00 C ATOM 773 CG ASP A 56 5.400 -8.291 -1.655 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.123 -7.087 -1.848 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.596 -9.151 -2.540 1.00 0.00 O ATOM 0 H ASP A 56 5.805 -9.010 2.349 1.00 0.00 H new ATOM 0 HA ASP A 56 7.404 -7.814 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.867 -9.783 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.512 -8.757 0.240 1.00 0.00 H new ATOM 780 N LEU A 57 6.297 -5.561 0.132 1.00 0.00 N ATOM 781 CA LEU A 57 5.775 -4.207 0.205 1.00 0.00 C ATOM 782 C LEU A 57 4.672 -4.033 -0.841 1.00 0.00 C ATOM 783 O LEU A 57 3.522 -3.766 -0.497 1.00 0.00 O ATOM 784 CB LEU A 57 6.910 -3.188 0.078 1.00 0.00 C ATOM 785 CG LEU A 57 6.560 -1.746 0.449 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.326 -1.695 1.352 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.760 -1.035 1.077 1.00 0.00 C ATOM 0 H LEU A 57 7.076 -5.684 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 57 5.322 -4.025 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.737 -3.514 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.270 -3.201 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 57 6.310 -1.209 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.100 -0.658 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.476 -2.138 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.522 -2.253 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.484 -0.012 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.065 -1.564 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.587 -1.022 0.368 1.00 0.00 H new ATOM 799 N THR A 58 5.063 -4.191 -2.098 1.00 0.00 N ATOM 800 CA THR A 58 4.122 -4.055 -3.196 1.00 0.00 C ATOM 801 C THR A 58 2.810 -4.771 -2.867 1.00 0.00 C ATOM 802 O THR A 58 1.733 -4.296 -3.224 1.00 0.00 O ATOM 803 CB THR A 58 4.798 -4.577 -4.465 1.00 0.00 C ATOM 804 OG1 THR A 58 5.528 -3.457 -4.957 1.00 0.00 O ATOM 805 CG2 THR A 58 3.794 -4.886 -5.579 1.00 0.00 C ATOM 0 H THR A 58 6.018 -4.412 -2.379 1.00 0.00 H new ATOM 0 HA THR A 58 3.853 -3.011 -3.359 1.00 0.00 H new ATOM 0 HB THR A 58 5.367 -5.476 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.999 -3.709 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.326 -5.253 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.092 -5.646 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.248 -3.979 -5.839 1.00 0.00 H new ATOM 813 N VAL A 59 2.944 -5.902 -2.190 1.00 0.00 N ATOM 814 CA VAL A 59 1.783 -6.688 -1.809 1.00 0.00 C ATOM 815 C VAL A 59 1.135 -6.065 -0.571 1.00 0.00 C ATOM 816 O VAL A 59 -0.089 -5.982 -0.483 1.00 0.00 O ATOM 817 CB VAL A 59 2.186 -8.149 -1.602 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.973 -9.006 -1.233 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.893 -8.704 -2.840 1.00 0.00 C ATOM 0 H VAL A 59 3.839 -6.293 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 59 1.038 -6.680 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 59 2.889 -8.187 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.288 -10.040 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.530 -8.632 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.236 -8.957 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.169 -9.744 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.224 -8.645 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.791 -8.119 -3.039 1.00 0.00 H new ATOM 829 N ALA A 60 1.985 -5.644 0.354 1.00 0.00 N ATOM 830 CA ALA A 60 1.510 -5.031 1.582 1.00 0.00 C ATOM 831 C ALA A 60 0.634 -3.824 1.240 1.00 0.00 C ATOM 832 O ALA A 60 -0.513 -3.741 1.677 1.00 0.00 O ATOM 833 CB ALA A 60 2.705 -4.653 2.460 1.00 0.00 C ATOM 0 H ALA A 60 3.000 -5.715 0.277 1.00 0.00 H new ATOM 0 HA ALA A 60 0.898 -5.733 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.348 -4.193 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.278 -5.549 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.341 -3.948 1.925 1.00 0.00 H new ATOM 839 N VAL A 61 1.207 -2.919 0.461 1.00 0.00 N ATOM 840 CA VAL A 61 0.493 -1.721 0.054 1.00 0.00 C ATOM 841 C VAL A 61 -0.922 -2.100 -0.388 1.00 0.00 C ATOM 842 O VAL A 61 -1.883 -1.399 -0.076 1.00 0.00 O ATOM 843 CB VAL A 61 1.281 -0.984 -1.031 1.00 0.00 C ATOM 844 CG1 VAL A 61 1.567 -1.904 -2.220 1.00 0.00 C ATOM 845 CG2 VAL A 61 0.546 0.280 -1.480 1.00 0.00 C ATOM 0 H VAL A 61 2.158 -2.991 0.101 1.00 0.00 H new ATOM 0 HA VAL A 61 0.398 -1.031 0.892 1.00 0.00 H new ATOM 0 HB VAL A 61 2.237 -0.681 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.128 -1.356 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.151 -2.761 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.626 -2.251 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.128 0.785 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.431 0.010 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.417 0.948 -0.628 1.00 0.00 H new ATOM 855 N GLU A 62 -1.005 -3.210 -1.107 1.00 0.00 N ATOM 856 CA GLU A 62 -2.286 -3.691 -1.595 1.00 0.00 C ATOM 857 C GLU A 62 -3.182 -4.096 -0.423 1.00 0.00 C ATOM 858 O GLU A 62 -4.386 -3.845 -0.443 1.00 0.00 O ATOM 859 CB GLU A 62 -2.099 -4.856 -2.569 1.00 0.00 C ATOM 860 CG GLU A 62 -1.301 -4.419 -3.800 1.00 0.00 C ATOM 861 CD GLU A 62 -2.154 -3.549 -4.726 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.335 -3.914 -4.918 1.00 0.00 O ATOM 863 OE2 GLU A 62 -1.607 -2.540 -5.219 1.00 0.00 O ATOM 0 H GLU A 62 -0.206 -3.790 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.774 -2.881 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.582 -5.674 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.073 -5.236 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.417 -3.864 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.951 -5.298 -4.341 1.00 0.00 H new ATOM 870 N ILE A 63 -2.561 -4.715 0.570 1.00 0.00 N ATOM 871 CA ILE A 63 -3.288 -5.156 1.748 1.00 0.00 C ATOM 872 C ILE A 63 -3.743 -3.934 2.548 1.00 0.00 C ATOM 873 O ILE A 63 -4.896 -3.859 2.971 1.00 0.00 O ATOM 874 CB ILE A 63 -2.445 -6.143 2.558 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.318 -7.483 1.830 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.006 -6.311 3.972 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.092 -8.258 2.318 1.00 0.00 C ATOM 0 H ILE A 63 -1.562 -4.922 0.583 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.187 -5.701 1.460 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.440 -5.733 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.217 -8.077 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.241 -7.312 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.389 -7.018 4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.002 -5.348 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.027 -6.688 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.025 -9.206 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.192 -7.672 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.184 -8.449 3.387 1.00 0.00 H new ATOM 889 N LEU A 64 -2.814 -3.008 2.733 1.00 0.00 N ATOM 890 CA LEU A 64 -3.105 -1.793 3.475 1.00 0.00 C ATOM 891 C LEU A 64 -4.313 -1.094 2.847 1.00 0.00 C ATOM 892 O LEU A 64 -5.223 -0.664 3.554 1.00 0.00 O ATOM 893 CB LEU A 64 -1.860 -0.909 3.565 1.00 0.00 C ATOM 894 CG LEU A 64 -0.792 -1.353 4.566 1.00 0.00 C ATOM 895 CD1 LEU A 64 -0.930 -0.595 5.888 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.828 -2.869 4.769 1.00 0.00 C ATOM 0 H LEU A 64 -1.859 -3.075 2.382 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.374 -2.030 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.404 -0.857 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.175 0.102 3.824 1.00 0.00 H new ATOM 0 HG LEU A 64 0.186 -1.106 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.159 -0.930 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.817 0.474 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.913 -0.789 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.059 -3.159 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.807 -3.162 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.644 -3.368 3.818 1.00 0.00 H new ATOM 908 N MET A 65 -4.281 -1.002 1.525 1.00 0.00 N ATOM 909 CA MET A 65 -5.362 -0.362 0.794 1.00 0.00 C ATOM 910 C MET A 65 -6.715 -0.967 1.175 1.00 0.00 C ATOM 911 O MET A 65 -7.652 -0.242 1.505 1.00 0.00 O ATOM 912 CB MET A 65 -5.131 -0.532 -0.709 1.00 0.00 C ATOM 913 CG MET A 65 -3.903 0.256 -1.168 1.00 0.00 C ATOM 914 SD MET A 65 -4.411 1.754 -1.994 1.00 0.00 S ATOM 915 CE MET A 65 -2.902 2.161 -2.855 1.00 0.00 C ATOM 0 H MET A 65 -3.524 -1.360 0.942 1.00 0.00 H new ATOM 0 HA MET A 65 -5.374 0.697 1.052 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.998 -1.588 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.011 -0.193 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.275 0.499 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.301 -0.354 -1.841 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.045 3.078 -3.426 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.098 2.305 -2.133 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.640 1.349 -3.533 1.00 0.00 H new