USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=2 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= -5.62! C(o=-5.6!,f=-16!) USER MOD Single : A 34 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00527 X(o=-0.0053,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 10.979 -0.658 9.370 1.00 0.00 N ATOM 378 CA GLU A 30 10.746 0.775 9.413 1.00 0.00 C ATOM 379 C GLU A 30 10.664 1.342 7.994 1.00 0.00 C ATOM 380 O GLU A 30 9.697 2.018 7.646 1.00 0.00 O ATOM 381 CB GLU A 30 11.832 1.484 10.225 1.00 0.00 C ATOM 382 CG GLU A 30 11.278 2.736 10.907 1.00 0.00 C ATOM 383 CD GLU A 30 12.297 3.876 10.872 1.00 0.00 C ATOM 384 OE1 GLU A 30 13.247 3.814 11.682 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.103 4.785 10.036 1.00 0.00 O ATOM 0 HA GLU A 30 9.793 0.953 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.232 0.803 10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.660 1.758 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.360 3.049 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.019 2.507 11.941 1.00 0.00 H new ATOM 392 N GLU A 31 11.693 1.047 7.213 1.00 0.00 N ATOM 393 CA GLU A 31 11.750 1.519 5.840 1.00 0.00 C ATOM 394 C GLU A 31 10.377 1.389 5.177 1.00 0.00 C ATOM 395 O GLU A 31 9.899 2.328 4.542 1.00 0.00 O ATOM 396 CB GLU A 31 12.817 0.764 5.044 1.00 0.00 C ATOM 397 CG GLU A 31 14.097 1.593 4.920 1.00 0.00 C ATOM 398 CD GLU A 31 14.215 2.215 3.527 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.020 1.459 2.550 1.00 0.00 O ATOM 400 OE2 GLU A 31 14.497 3.431 3.470 1.00 0.00 O ATOM 0 H GLU A 31 12.494 0.487 7.505 1.00 0.00 H new ATOM 0 HA GLU A 31 12.029 2.573 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.039 -0.184 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.435 0.527 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.100 2.379 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.964 0.961 5.115 1.00 0.00 H new ATOM 407 N GLN A 32 9.782 0.218 5.346 1.00 0.00 N ATOM 408 CA GLN A 32 8.474 -0.047 4.772 1.00 0.00 C ATOM 409 C GLN A 32 7.389 0.687 5.563 1.00 0.00 C ATOM 410 O GLN A 32 6.621 1.464 4.997 1.00 0.00 O ATOM 411 CB GLN A 32 8.192 -1.550 4.719 1.00 0.00 C ATOM 412 CG GLN A 32 9.423 -2.322 4.240 1.00 0.00 C ATOM 413 CD GLN A 32 10.053 -1.646 3.020 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.427 -0.485 3.045 1.00 0.00 O ATOM 415 NE2 GLN A 32 10.149 -2.436 1.954 1.00 0.00 N ATOM 0 H GLN A 32 10.182 -0.559 5.873 1.00 0.00 H new ATOM 0 HA GLN A 32 8.466 0.327 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.898 -1.904 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.354 -1.743 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.155 -2.382 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.141 -3.344 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.816 -3.399 2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.556 -2.079 1.089 1.00 0.00 H new ATOM 424 N ILE A 33 7.359 0.414 6.859 1.00 0.00 N ATOM 425 CA ILE A 33 6.381 1.039 7.733 1.00 0.00 C ATOM 426 C ILE A 33 6.268 2.524 7.386 1.00 0.00 C ATOM 427 O ILE A 33 5.170 3.079 7.365 1.00 0.00 O ATOM 428 CB ILE A 33 6.727 0.775 9.200 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.462 -0.686 9.572 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.985 1.745 10.121 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.561 -1.226 10.490 1.00 0.00 C ATOM 0 H ILE A 33 7.996 -0.232 7.325 1.00 0.00 H new ATOM 0 HA ILE A 33 5.396 0.599 7.578 1.00 0.00 H new ATOM 0 HB ILE A 33 7.794 0.953 9.337 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.495 -0.769 10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.409 -1.292 8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.249 1.536 11.158 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.267 2.769 9.874 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.910 1.623 9.988 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.349 -2.266 10.739 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.523 -1.164 9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.595 -0.633 11.404 1.00 0.00 H new ATOM 443 N GLN A 34 7.418 3.127 7.121 1.00 0.00 N ATOM 444 CA GLN A 34 7.461 4.537 6.776 1.00 0.00 C ATOM 445 C GLN A 34 6.956 4.750 5.348 1.00 0.00 C ATOM 446 O GLN A 34 6.227 5.704 5.079 1.00 0.00 O ATOM 447 CB GLN A 34 8.874 5.100 6.946 1.00 0.00 C ATOM 448 CG GLN A 34 9.340 4.981 8.399 1.00 0.00 C ATOM 449 CD GLN A 34 8.515 5.886 9.316 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.813 6.782 8.878 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.638 5.602 10.609 1.00 0.00 N ATOM 0 H GLN A 34 8.327 2.664 7.138 1.00 0.00 H new ATOM 0 HA GLN A 34 6.804 5.078 7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.564 4.564 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.892 6.146 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.252 3.946 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.394 5.250 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.243 4.837 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.127 6.149 11.302 1.00 0.00 H new ATOM 460 N LYS A 35 7.361 3.845 4.469 1.00 0.00 N ATOM 461 CA LYS A 35 6.958 3.921 3.075 1.00 0.00 C ATOM 462 C LYS A 35 5.437 3.792 2.981 1.00 0.00 C ATOM 463 O LYS A 35 4.828 4.263 2.021 1.00 0.00 O ATOM 464 CB LYS A 35 7.716 2.887 2.241 1.00 0.00 C ATOM 465 CG LYS A 35 8.784 3.557 1.374 1.00 0.00 C ATOM 466 CD LYS A 35 9.463 2.539 0.456 1.00 0.00 C ATOM 467 CE LYS A 35 8.591 2.232 -0.763 1.00 0.00 C ATOM 468 NZ LYS A 35 9.332 1.398 -1.734 1.00 0.00 N ATOM 0 H LYS A 35 7.965 3.055 4.696 1.00 0.00 H new ATOM 0 HA LYS A 35 7.223 4.891 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.184 2.156 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.016 2.343 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.329 4.346 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.530 4.031 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.428 2.926 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.659 1.620 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.685 1.715 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.279 3.162 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.725 1.199 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.184 1.905 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.608 0.503 -1.283 1.00 0.00 H new ATOM 482 N LEU A 36 4.866 3.152 3.990 1.00 0.00 N ATOM 483 CA LEU A 36 3.427 2.954 4.034 1.00 0.00 C ATOM 484 C LEU A 36 2.793 4.045 4.900 1.00 0.00 C ATOM 485 O LEU A 36 1.863 4.725 4.466 1.00 0.00 O ATOM 486 CB LEU A 36 3.094 1.533 4.493 1.00 0.00 C ATOM 487 CG LEU A 36 3.561 0.404 3.572 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.150 -0.961 4.127 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.058 0.618 2.143 1.00 0.00 C ATOM 0 H LEU A 36 5.374 2.763 4.784 1.00 0.00 H new ATOM 0 HA LEU A 36 2.999 3.049 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.535 1.378 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.013 1.455 4.612 1.00 0.00 H new ATOM 0 HG LEU A 36 4.650 0.422 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.494 -1.746 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.598 -1.104 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.064 -1.007 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.404 -0.199 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.968 0.642 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.443 1.563 1.760 1.00 0.00 H new ATOM 501 N VAL A 37 3.320 4.178 6.108 1.00 0.00 N ATOM 502 CA VAL A 37 2.817 5.174 7.038 1.00 0.00 C ATOM 503 C VAL A 37 2.768 6.536 6.343 1.00 0.00 C ATOM 504 O VAL A 37 1.913 7.365 6.653 1.00 0.00 O ATOM 505 CB VAL A 37 3.671 5.182 8.308 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.391 6.429 9.149 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.448 3.908 9.126 1.00 0.00 C ATOM 0 H VAL A 37 4.090 3.612 6.464 1.00 0.00 H new ATOM 0 HA VAL A 37 1.801 4.929 7.346 1.00 0.00 H new ATOM 0 HB VAL A 37 4.718 5.209 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.011 6.410 10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.623 7.320 8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.339 6.446 9.435 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.066 3.939 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.398 3.838 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.720 3.039 8.527 1.00 0.00 H new ATOM 517 N ALA A 38 3.696 6.726 5.416 1.00 0.00 N ATOM 518 CA ALA A 38 3.769 7.973 4.674 1.00 0.00 C ATOM 519 C ALA A 38 2.614 8.034 3.672 1.00 0.00 C ATOM 520 O ALA A 38 2.059 9.103 3.423 1.00 0.00 O ATOM 521 CB ALA A 38 5.136 8.085 3.997 1.00 0.00 C ATOM 0 H ALA A 38 4.404 6.037 5.162 1.00 0.00 H new ATOM 0 HA ALA A 38 3.667 8.826 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.191 9.021 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.920 8.067 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.273 7.247 3.313 1.00 0.00 H new ATOM 527 N MET A 39 2.287 6.873 3.124 1.00 0.00 N ATOM 528 CA MET A 39 1.209 6.781 2.154 1.00 0.00 C ATOM 529 C MET A 39 -0.144 7.059 2.811 1.00 0.00 C ATOM 530 O MET A 39 -1.109 7.406 2.131 1.00 0.00 O ATOM 531 CB MET A 39 1.198 5.382 1.534 1.00 0.00 C ATOM 532 CG MET A 39 2.375 5.198 0.574 1.00 0.00 C ATOM 533 SD MET A 39 1.776 5.001 -1.096 1.00 0.00 S ATOM 534 CE MET A 39 2.752 3.597 -1.611 1.00 0.00 C ATOM 0 H MET A 39 2.749 5.988 3.333 1.00 0.00 H new ATOM 0 HA MET A 39 1.377 7.530 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.246 4.631 2.322 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.261 5.224 1.000 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.040 6.060 0.631 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.959 4.325 0.865 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.502 3.338 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.811 3.847 -1.547 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.539 2.748 -0.961 1.00 0.00 H new ATOM 544 N GLY A 40 -0.173 6.895 4.125 1.00 0.00 N ATOM 545 CA GLY A 40 -1.392 7.124 4.882 1.00 0.00 C ATOM 546 C GLY A 40 -1.881 5.832 5.538 1.00 0.00 C ATOM 547 O GLY A 40 -3.076 5.540 5.529 1.00 0.00 O ATOM 0 H GLY A 40 0.629 6.606 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.213 7.879 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.166 7.516 4.222 1.00 0.00 H new ATOM 551 N PHE A 41 -0.932 5.091 6.092 1.00 0.00 N ATOM 552 CA PHE A 41 -1.252 3.836 6.751 1.00 0.00 C ATOM 553 C PHE A 41 -0.761 3.838 8.200 1.00 0.00 C ATOM 554 O PHE A 41 0.021 4.703 8.594 1.00 0.00 O ATOM 555 CB PHE A 41 -0.528 2.730 5.982 1.00 0.00 C ATOM 556 CG PHE A 41 -1.001 2.566 4.536 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.312 2.313 4.274 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.111 2.672 3.513 1.00 0.00 C ATOM 559 CE1 PHE A 41 -2.751 2.161 2.932 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.550 2.520 2.171 1.00 0.00 C ATOM 561 CZ PHE A 41 -1.861 2.268 1.909 1.00 0.00 C ATOM 0 H PHE A 41 0.058 5.336 6.098 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.331 3.685 6.761 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.541 2.942 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.666 1.785 6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.019 2.228 5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.930 2.872 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.792 1.960 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.157 2.604 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.195 2.153 0.888 1.00 0.00 H new ATOM 571 N ASP A 42 -1.239 2.860 8.955 1.00 0.00 N ATOM 572 CA ASP A 42 -0.859 2.738 10.352 1.00 0.00 C ATOM 573 C ASP A 42 0.263 1.707 10.482 1.00 0.00 C ATOM 574 O ASP A 42 0.195 0.631 9.889 1.00 0.00 O ATOM 575 CB ASP A 42 -2.038 2.264 11.205 1.00 0.00 C ATOM 576 CG ASP A 42 -2.614 3.317 12.154 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.804 4.108 12.683 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.851 3.307 12.329 1.00 0.00 O ATOM 0 H ASP A 42 -1.887 2.144 8.625 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.534 3.719 10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.832 1.921 10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.719 1.403 11.792 1.00 0.00 H new ATOM 583 N ARG A 43 1.271 2.070 11.263 1.00 0.00 N ATOM 584 CA ARG A 43 2.406 1.190 11.478 1.00 0.00 C ATOM 585 C ARG A 43 1.935 -0.259 11.619 1.00 0.00 C ATOM 586 O ARG A 43 2.518 -1.165 11.025 1.00 0.00 O ATOM 587 CB ARG A 43 3.183 1.590 12.734 1.00 0.00 C ATOM 588 CG ARG A 43 4.439 0.732 12.899 1.00 0.00 C ATOM 589 CD ARG A 43 5.534 1.500 13.641 1.00 0.00 C ATOM 590 NE ARG A 43 6.770 0.688 13.701 1.00 0.00 N ATOM 591 CZ ARG A 43 7.913 1.100 14.266 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.985 2.316 14.823 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.985 0.295 14.273 1.00 0.00 N ATOM 0 H ARG A 43 1.324 2.962 11.754 1.00 0.00 H new ATOM 0 HA ARG A 43 3.063 1.280 10.613 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.462 2.642 12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.545 1.480 13.611 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.193 -0.178 13.447 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.805 0.425 11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.734 2.445 13.135 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.199 1.743 14.649 1.00 0.00 H new ATOM 0 HE ARG A 43 6.750 -0.244 13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.170 2.929 14.817 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.855 2.629 15.253 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.930 -0.631 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.855 0.608 14.703 1.00 0.00 H new ATOM 607 N THR A 44 0.885 -0.433 12.407 1.00 0.00 N ATOM 608 CA THR A 44 0.329 -1.756 12.633 1.00 0.00 C ATOM 609 C THR A 44 -0.157 -2.363 11.315 1.00 0.00 C ATOM 610 O THR A 44 0.378 -3.371 10.858 1.00 0.00 O ATOM 611 CB THR A 44 -0.774 -1.632 13.687 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.114 -1.061 14.814 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.259 -2.993 14.189 1.00 0.00 C ATOM 0 H THR A 44 0.404 0.321 12.898 1.00 0.00 H new ATOM 0 HA THR A 44 1.086 -2.443 13.012 1.00 0.00 H new ATOM 0 HB THR A 44 -1.615 -1.079 13.269 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.756 -0.944 15.545 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.041 -2.848 14.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.657 -3.568 13.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.425 -3.533 14.638 1.00 0.00 H new ATOM 621 N GLN A 45 -1.165 -1.722 10.741 1.00 0.00 N ATOM 622 CA GLN A 45 -1.728 -2.186 9.485 1.00 0.00 C ATOM 623 C GLN A 45 -0.611 -2.563 8.509 1.00 0.00 C ATOM 624 O GLN A 45 -0.790 -3.438 7.664 1.00 0.00 O ATOM 625 CB GLN A 45 -2.655 -1.131 8.877 1.00 0.00 C ATOM 626 CG GLN A 45 -3.819 -0.816 9.818 1.00 0.00 C ATOM 627 CD GLN A 45 -5.163 -1.067 9.130 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.939 -0.161 8.877 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.393 -2.345 8.843 1.00 0.00 N ATOM 0 H GLN A 45 -1.606 -0.885 11.123 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.325 -3.076 9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.091 -0.221 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.041 -1.488 7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.744 -1.432 10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.760 0.224 10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.700 -3.054 9.083 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.262 -2.616 8.383 1.00 0.00 H new ATOM 638 N VAL A 46 0.516 -1.883 8.660 1.00 0.00 N ATOM 639 CA VAL A 46 1.662 -2.136 7.802 1.00 0.00 C ATOM 640 C VAL A 46 2.307 -3.465 8.199 1.00 0.00 C ATOM 641 O VAL A 46 2.458 -4.359 7.367 1.00 0.00 O ATOM 642 CB VAL A 46 2.634 -0.956 7.868 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.856 -1.203 6.980 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.936 0.352 7.490 1.00 0.00 C ATOM 0 H VAL A 46 0.660 -1.158 9.363 1.00 0.00 H new ATOM 0 HA VAL A 46 1.349 -2.225 6.762 1.00 0.00 H new ATOM 0 HB VAL A 46 2.981 -0.864 8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.531 -0.350 7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.374 -2.102 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.534 -1.334 5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.649 1.174 7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.547 0.277 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.114 0.538 8.181 1.00 0.00 H new ATOM 654 N GLU A 47 2.671 -3.554 9.470 1.00 0.00 N ATOM 655 CA GLU A 47 3.296 -4.759 9.987 1.00 0.00 C ATOM 656 C GLU A 47 2.416 -5.978 9.702 1.00 0.00 C ATOM 657 O GLU A 47 2.865 -6.940 9.081 1.00 0.00 O ATOM 658 CB GLU A 47 3.584 -4.629 11.484 1.00 0.00 C ATOM 659 CG GLU A 47 4.711 -3.626 11.740 1.00 0.00 C ATOM 660 CD GLU A 47 5.450 -3.953 13.039 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.607 -5.162 13.315 1.00 0.00 O ATOM 662 OE2 GLU A 47 5.842 -2.986 13.727 1.00 0.00 O ATOM 0 H GLU A 47 2.545 -2.811 10.157 1.00 0.00 H new ATOM 0 HA GLU A 47 4.250 -4.897 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.682 -4.309 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.859 -5.602 11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.412 -3.640 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.300 -2.618 11.795 1.00 0.00 H new ATOM 669 N VAL A 48 1.179 -5.897 10.170 1.00 0.00 N ATOM 670 CA VAL A 48 0.232 -6.981 9.973 1.00 0.00 C ATOM 671 C VAL A 48 0.325 -7.478 8.529 1.00 0.00 C ATOM 672 O VAL A 48 0.689 -8.628 8.286 1.00 0.00 O ATOM 673 CB VAL A 48 -1.176 -6.523 10.358 1.00 0.00 C ATOM 674 CG1 VAL A 48 -1.440 -6.756 11.847 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.396 -5.056 9.985 1.00 0.00 C ATOM 0 H VAL A 48 0.811 -5.097 10.685 1.00 0.00 H new ATOM 0 HA VAL A 48 0.474 -7.822 10.623 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.890 -7.123 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.448 -6.422 12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.345 -7.818 12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.716 -6.194 12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.404 -4.756 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.671 -4.434 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.270 -4.931 8.910 1.00 0.00 H new ATOM 685 N ALA A 49 -0.011 -6.587 7.607 1.00 0.00 N ATOM 686 CA ALA A 49 0.030 -6.920 6.194 1.00 0.00 C ATOM 687 C ALA A 49 1.417 -7.461 5.842 1.00 0.00 C ATOM 688 O ALA A 49 1.553 -8.612 5.432 1.00 0.00 O ATOM 689 CB ALA A 49 -0.343 -5.687 5.367 1.00 0.00 C ATOM 0 H ALA A 49 -0.313 -5.634 7.812 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.696 -7.699 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.312 -5.937 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.348 -5.360 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.365 -4.884 5.571 1.00 0.00 H new ATOM 695 N LEU A 50 2.413 -6.603 6.014 1.00 0.00 N ATOM 696 CA LEU A 50 3.785 -6.980 5.720 1.00 0.00 C ATOM 697 C LEU A 50 4.021 -8.423 6.170 1.00 0.00 C ATOM 698 O LEU A 50 4.823 -9.140 5.575 1.00 0.00 O ATOM 699 CB LEU A 50 4.760 -5.976 6.336 1.00 0.00 C ATOM 700 CG LEU A 50 5.075 -4.740 5.491 1.00 0.00 C ATOM 701 CD1 LEU A 50 5.595 -3.596 6.364 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.043 -5.083 4.357 1.00 0.00 C ATOM 0 H LEU A 50 2.297 -5.648 6.353 1.00 0.00 H new ATOM 0 HA LEU A 50 3.967 -6.948 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.353 -5.644 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.695 -6.493 6.550 1.00 0.00 H new ATOM 0 HG LEU A 50 4.149 -4.396 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.811 -2.730 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.839 -3.330 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.505 -3.912 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.250 -4.187 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.974 -5.466 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.596 -5.841 3.714 1.00 0.00 H new ATOM 714 N ALA A 51 3.306 -8.806 7.218 1.00 0.00 N ATOM 715 CA ALA A 51 3.428 -10.151 7.756 1.00 0.00 C ATOM 716 C ALA A 51 2.892 -11.155 6.733 1.00 0.00 C ATOM 717 O ALA A 51 3.595 -12.086 6.345 1.00 0.00 O ATOM 718 CB ALA A 51 2.692 -10.234 9.094 1.00 0.00 C ATOM 0 H ALA A 51 2.640 -8.209 7.709 1.00 0.00 H new ATOM 0 HA ALA A 51 4.473 -10.396 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.783 -11.242 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.129 -9.522 9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.639 -9.997 8.945 1.00 0.00 H new ATOM 724 N ALA A 52 1.652 -10.930 6.324 1.00 0.00 N ATOM 725 CA ALA A 52 1.014 -11.803 5.354 1.00 0.00 C ATOM 726 C ALA A 52 1.593 -11.525 3.966 1.00 0.00 C ATOM 727 O ALA A 52 1.422 -12.324 3.046 1.00 0.00 O ATOM 728 CB ALA A 52 -0.502 -11.601 5.404 1.00 0.00 C ATOM 0 H ALA A 52 1.072 -10.155 6.647 1.00 0.00 H new ATOM 0 HA ALA A 52 1.212 -12.848 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.981 -12.256 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.868 -11.839 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.739 -10.563 5.169 1.00 0.00 H new ATOM 734 N ALA A 53 2.268 -10.390 3.857 1.00 0.00 N ATOM 735 CA ALA A 53 2.873 -9.996 2.597 1.00 0.00 C ATOM 736 C ALA A 53 4.212 -10.719 2.431 1.00 0.00 C ATOM 737 O ALA A 53 4.787 -10.727 1.344 1.00 0.00 O ATOM 738 CB ALA A 53 3.024 -8.474 2.555 1.00 0.00 C ATOM 0 H ALA A 53 2.409 -9.730 4.622 1.00 0.00 H new ATOM 0 HA ALA A 53 2.236 -10.283 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.478 -8.179 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.043 -8.008 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.659 -8.148 3.379 1.00 0.00 H new ATOM 744 N ASP A 54 4.669 -11.309 3.527 1.00 0.00 N ATOM 745 CA ASP A 54 5.929 -12.032 3.517 1.00 0.00 C ATOM 746 C ASP A 54 7.080 -11.041 3.340 1.00 0.00 C ATOM 747 O ASP A 54 8.043 -11.322 2.628 1.00 0.00 O ATOM 748 CB ASP A 54 5.982 -13.030 2.358 1.00 0.00 C ATOM 749 CG ASP A 54 6.874 -14.250 2.595 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.143 -14.534 3.782 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.267 -14.871 1.584 1.00 0.00 O ATOM 0 H ASP A 54 4.189 -11.301 4.427 1.00 0.00 H new ATOM 0 HA ASP A 54 6.016 -12.570 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.969 -13.374 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.333 -12.510 1.466 1.00 0.00 H new ATOM 756 N ASP A 55 6.943 -9.900 3.999 1.00 0.00 N ATOM 757 CA ASP A 55 7.960 -8.865 3.924 1.00 0.00 C ATOM 758 C ASP A 55 7.849 -8.144 2.579 1.00 0.00 C ATOM 759 O ASP A 55 8.704 -7.329 2.235 1.00 0.00 O ATOM 760 CB ASP A 55 9.364 -9.463 4.025 1.00 0.00 C ATOM 761 CG ASP A 55 10.272 -8.810 5.068 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.398 -7.567 5.012 1.00 0.00 O ATOM 763 OD2 ASP A 55 10.820 -9.567 5.897 1.00 0.00 O ATOM 0 H ASP A 55 6.143 -9.669 4.588 1.00 0.00 H new ATOM 0 HA ASP A 55 7.801 -8.176 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.275 -10.524 4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.845 -9.389 3.050 1.00 0.00 H new ATOM 768 N ASP A 56 6.789 -8.470 1.854 1.00 0.00 N ATOM 769 CA ASP A 56 6.555 -7.864 0.555 1.00 0.00 C ATOM 770 C ASP A 56 5.815 -6.538 0.741 1.00 0.00 C ATOM 771 O ASP A 56 4.843 -6.465 1.491 1.00 0.00 O ATOM 772 CB ASP A 56 5.690 -8.768 -0.327 1.00 0.00 C ATOM 773 CG ASP A 56 5.660 -8.388 -1.809 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.470 -7.183 -2.082 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.828 -9.311 -2.635 1.00 0.00 O ATOM 0 H ASP A 56 6.082 -9.147 2.142 1.00 0.00 H new ATOM 0 HA ASP A 56 7.522 -7.710 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.052 -9.792 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.670 -8.756 0.056 1.00 0.00 H new ATOM 780 N LEU A 57 6.304 -5.522 0.045 1.00 0.00 N ATOM 781 CA LEU A 57 5.702 -4.202 0.124 1.00 0.00 C ATOM 782 C LEU A 57 4.597 -4.086 -0.928 1.00 0.00 C ATOM 783 O LEU A 57 3.427 -3.915 -0.589 1.00 0.00 O ATOM 784 CB LEU A 57 6.774 -3.116 0.012 1.00 0.00 C ATOM 785 CG LEU A 57 6.339 -1.702 0.403 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.157 -1.740 1.373 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.517 -0.903 0.966 1.00 0.00 C ATOM 0 H LEU A 57 7.110 -5.586 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 57 5.233 -4.055 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.619 -3.401 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.134 -3.093 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 57 6.000 -1.188 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.868 -0.722 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.315 -2.246 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.444 -2.279 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.182 0.098 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.908 -1.406 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.302 -0.832 0.213 1.00 0.00 H new ATOM 799 N THR A 58 5.007 -4.185 -2.184 1.00 0.00 N ATOM 800 CA THR A 58 4.067 -4.093 -3.288 1.00 0.00 C ATOM 801 C THR A 58 2.778 -4.847 -2.955 1.00 0.00 C ATOM 802 O THR A 58 1.698 -4.465 -3.403 1.00 0.00 O ATOM 803 CB THR A 58 4.765 -4.611 -4.548 1.00 0.00 C ATOM 804 OG1 THR A 58 5.397 -3.456 -5.093 1.00 0.00 O ATOM 805 CG2 THR A 58 3.774 -5.040 -5.632 1.00 0.00 C ATOM 0 H THR A 58 5.978 -4.328 -2.462 1.00 0.00 H new ATOM 0 HA THR A 58 3.766 -3.061 -3.466 1.00 0.00 H new ATOM 0 HB THR A 58 5.406 -5.454 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.875 -3.701 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.321 -5.399 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.138 -5.838 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.156 -4.189 -5.917 1.00 0.00 H new ATOM 813 N VAL A 59 2.934 -5.903 -2.170 1.00 0.00 N ATOM 814 CA VAL A 59 1.796 -6.714 -1.771 1.00 0.00 C ATOM 815 C VAL A 59 1.126 -6.079 -0.551 1.00 0.00 C ATOM 816 O VAL A 59 -0.094 -5.924 -0.518 1.00 0.00 O ATOM 817 CB VAL A 59 2.241 -8.157 -1.526 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.044 -9.053 -1.204 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.027 -8.699 -2.722 1.00 0.00 C ATOM 0 H VAL A 59 3.831 -6.216 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 59 1.054 -6.749 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 59 2.904 -8.161 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.388 -10.073 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.545 -8.685 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.345 -9.041 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.331 -9.726 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.398 -8.674 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.912 -8.084 -2.885 1.00 0.00 H new ATOM 829 N ALA A 60 1.953 -5.730 0.423 1.00 0.00 N ATOM 830 CA ALA A 60 1.457 -5.116 1.643 1.00 0.00 C ATOM 831 C ALA A 60 0.565 -3.925 1.283 1.00 0.00 C ATOM 832 O ALA A 60 -0.589 -3.861 1.702 1.00 0.00 O ATOM 833 CB ALA A 60 2.637 -4.714 2.530 1.00 0.00 C ATOM 0 H ALA A 60 2.964 -5.861 0.392 1.00 0.00 H new ATOM 0 HA ALA A 60 0.851 -5.823 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.264 -4.253 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.221 -5.599 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.267 -4.003 1.997 1.00 0.00 H new ATOM 839 N VAL A 61 1.135 -3.013 0.510 1.00 0.00 N ATOM 840 CA VAL A 61 0.407 -1.828 0.089 1.00 0.00 C ATOM 841 C VAL A 61 -1.000 -2.231 -0.358 1.00 0.00 C ATOM 842 O VAL A 61 -1.982 -1.598 0.025 1.00 0.00 O ATOM 843 CB VAL A 61 1.191 -1.091 -0.999 1.00 0.00 C ATOM 844 CG1 VAL A 61 1.425 -1.992 -2.213 1.00 0.00 C ATOM 845 CG2 VAL A 61 0.482 0.203 -1.405 1.00 0.00 C ATOM 0 H VAL A 61 2.093 -3.071 0.164 1.00 0.00 H new ATOM 0 HA VAL A 61 0.298 -1.132 0.921 1.00 0.00 H new ATOM 0 HB VAL A 61 2.165 -0.825 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.984 -1.443 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.992 -2.872 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.465 -2.304 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.060 0.707 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.511 -0.031 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.391 0.856 -0.537 1.00 0.00 H new ATOM 855 N GLU A 62 -1.052 -3.283 -1.162 1.00 0.00 N ATOM 856 CA GLU A 62 -2.322 -3.778 -1.665 1.00 0.00 C ATOM 857 C GLU A 62 -3.235 -4.175 -0.503 1.00 0.00 C ATOM 858 O GLU A 62 -4.440 -3.936 -0.547 1.00 0.00 O ATOM 859 CB GLU A 62 -2.112 -4.953 -2.623 1.00 0.00 C ATOM 860 CG GLU A 62 -1.309 -4.521 -3.852 1.00 0.00 C ATOM 861 CD GLU A 62 -2.163 -3.667 -4.792 1.00 0.00 C ATOM 862 OE1 GLU A 62 -2.918 -4.274 -5.582 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.041 -2.427 -4.699 1.00 0.00 O ATOM 0 H GLU A 62 -0.235 -3.806 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.806 -2.977 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.589 -5.759 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.078 -5.349 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.432 -3.956 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.947 -5.402 -4.383 1.00 0.00 H new ATOM 870 N ILE A 63 -2.624 -4.774 0.509 1.00 0.00 N ATOM 871 CA ILE A 63 -3.367 -5.206 1.681 1.00 0.00 C ATOM 872 C ILE A 63 -3.821 -3.978 2.473 1.00 0.00 C ATOM 873 O ILE A 63 -4.986 -3.878 2.856 1.00 0.00 O ATOM 874 CB ILE A 63 -2.541 -6.197 2.503 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.406 -7.535 1.774 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.125 -6.365 3.907 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.213 -8.331 2.307 1.00 0.00 C ATOM 0 H ILE A 63 -1.624 -4.970 0.542 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.267 -5.745 1.385 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.536 -5.791 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.320 -8.115 1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.283 -7.360 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.519 -7.075 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.126 -5.402 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.147 -6.738 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.139 -9.278 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.298 -7.758 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.351 -8.525 3.371 1.00 0.00 H new ATOM 889 N LEU A 64 -2.878 -3.074 2.694 1.00 0.00 N ATOM 890 CA LEU A 64 -3.166 -1.857 3.433 1.00 0.00 C ATOM 891 C LEU A 64 -4.341 -1.131 2.774 1.00 0.00 C ATOM 892 O LEU A 64 -5.258 -0.678 3.457 1.00 0.00 O ATOM 893 CB LEU A 64 -1.907 -0.998 3.564 1.00 0.00 C ATOM 894 CG LEU A 64 -0.875 -1.472 4.589 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.036 -0.726 5.915 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.942 -2.989 4.772 1.00 0.00 C ATOM 0 H LEU A 64 -1.913 -3.160 2.374 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.469 -2.094 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.423 -0.946 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.209 0.016 3.824 1.00 0.00 H new ATOM 0 HG LEU A 64 0.119 -1.237 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.290 -1.082 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.899 0.343 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.034 -0.906 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.198 -3.300 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.936 -3.270 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.740 -3.480 3.820 1.00 0.00 H new ATOM 908 N MET A 65 -4.274 -1.042 1.453 1.00 0.00 N ATOM 909 CA MET A 65 -5.320 -0.379 0.694 1.00 0.00 C ATOM 910 C MET A 65 -6.691 -0.978 1.011 1.00 0.00 C ATOM 911 O MET A 65 -7.663 -0.248 1.201 1.00 0.00 O ATOM 912 CB MET A 65 -5.034 -0.522 -0.802 1.00 0.00 C ATOM 913 CG MET A 65 -4.063 0.559 -1.281 1.00 0.00 C ATOM 914 SD MET A 65 -4.888 1.662 -2.416 1.00 0.00 S ATOM 915 CE MET A 65 -4.670 3.211 -1.557 1.00 0.00 C ATOM 0 H MET A 65 -3.511 -1.418 0.890 1.00 0.00 H new ATOM 0 HA MET A 65 -5.332 0.675 0.972 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.614 -1.508 -1.003 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.966 -0.452 -1.362 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.682 1.120 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.204 0.098 -1.769 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.130 4.014 -2.133 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.141 3.152 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.606 3.414 -1.437 1.00 0.00 H new