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= -9.61! C(o=-9.6!,f=-19!) USER MOD Single : A 34 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.5) 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 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 11.127 -0.454 9.485 1.00 0.00 N ATOM 378 CA GLU A 30 10.817 0.964 9.545 1.00 0.00 C ATOM 379 C GLU A 30 10.653 1.532 8.134 1.00 0.00 C ATOM 380 O GLU A 30 9.648 2.174 7.832 1.00 0.00 O ATOM 381 CB GLU A 30 11.891 1.727 10.322 1.00 0.00 C ATOM 382 CG GLU A 30 11.359 3.076 10.813 1.00 0.00 C ATOM 383 CD GLU A 30 12.255 4.223 10.341 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.658 4.178 9.158 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.515 5.118 11.173 1.00 0.00 O ATOM 0 HA GLU A 30 9.874 1.088 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.222 1.131 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.762 1.885 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.344 3.227 10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.306 3.076 11.902 1.00 0.00 H new ATOM 392 N GLU A 31 11.656 1.274 7.307 1.00 0.00 N ATOM 393 CA GLU A 31 11.636 1.752 5.935 1.00 0.00 C ATOM 394 C GLU A 31 10.244 1.565 5.328 1.00 0.00 C ATOM 395 O GLU A 31 9.656 2.514 4.811 1.00 0.00 O ATOM 396 CB GLU A 31 12.700 1.046 5.093 1.00 0.00 C ATOM 397 CG GLU A 31 13.562 2.059 4.336 1.00 0.00 C ATOM 398 CD GLU A 31 14.005 1.499 2.983 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.369 0.303 2.955 1.00 0.00 O ATOM 400 OE2 GLU A 31 13.970 2.279 2.007 1.00 0.00 O ATOM 0 H GLU A 31 12.487 0.740 7.561 1.00 0.00 H new ATOM 0 HA GLU A 31 11.870 2.817 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.332 0.435 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.219 0.371 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.999 2.980 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.438 2.314 4.932 1.00 0.00 H new ATOM 407 N GLN A 32 9.757 0.336 5.412 1.00 0.00 N ATOM 408 CA GLN A 32 8.445 0.012 4.877 1.00 0.00 C ATOM 409 C GLN A 32 7.358 0.762 5.649 1.00 0.00 C ATOM 410 O GLN A 32 6.594 1.530 5.066 1.00 0.00 O ATOM 411 CB GLN A 32 8.197 -1.497 4.909 1.00 0.00 C ATOM 412 CG GLN A 32 9.394 -2.261 4.338 1.00 0.00 C ATOM 413 CD GLN A 32 9.946 -1.564 3.093 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.425 -0.443 3.138 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.853 -2.289 1.981 1.00 0.00 N ATOM 0 H GLN A 32 10.247 -0.448 5.843 1.00 0.00 H new ATOM 0 HA GLN A 32 8.410 0.331 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.012 -1.817 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.302 -1.734 4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.176 -2.336 5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.094 -3.278 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.441 -3.221 2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.194 -1.912 1.097 1.00 0.00 H new ATOM 424 N ILE A 33 7.322 0.514 6.951 1.00 0.00 N ATOM 425 CA ILE A 33 6.341 1.157 7.808 1.00 0.00 C ATOM 426 C ILE A 33 6.229 2.635 7.429 1.00 0.00 C ATOM 427 O ILE A 33 5.128 3.181 7.367 1.00 0.00 O ATOM 428 CB ILE A 33 6.684 0.924 9.281 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.459 -0.538 9.672 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.905 1.884 10.183 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.674 -1.100 10.414 1.00 0.00 C ATOM 0 H ILE A 33 7.957 -0.123 7.432 1.00 0.00 H new ATOM 0 HA ILE A 33 5.356 0.715 7.659 1.00 0.00 H new ATOM 0 HB ILE A 33 7.744 1.136 9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.574 -0.617 10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.267 -1.132 8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.167 1.698 11.225 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.157 2.912 9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.835 1.727 10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.488 -2.140 10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.552 -1.041 9.771 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.848 -0.519 11.320 1.00 0.00 H new ATOM 443 N GLN A 34 7.382 3.240 7.186 1.00 0.00 N ATOM 444 CA GLN A 34 7.426 4.644 6.815 1.00 0.00 C ATOM 445 C GLN A 34 6.963 4.825 5.368 1.00 0.00 C ATOM 446 O GLN A 34 6.243 5.773 5.057 1.00 0.00 O ATOM 447 CB GLN A 34 8.829 5.220 7.018 1.00 0.00 C ATOM 448 CG GLN A 34 9.270 5.087 8.477 1.00 0.00 C ATOM 449 CD GLN A 34 8.495 6.053 9.375 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.804 6.948 8.917 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.646 5.822 10.676 1.00 0.00 N ATOM 0 H GLN A 34 8.293 2.784 7.239 1.00 0.00 H new ATOM 0 HA GLN A 34 6.745 5.194 7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.536 4.700 6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.841 6.270 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.112 4.063 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.338 5.288 8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.240 5.055 10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.168 6.412 11.357 1.00 0.00 H new ATOM 460 N LYS A 35 7.396 3.902 4.521 1.00 0.00 N ATOM 461 CA LYS A 35 7.034 3.948 3.115 1.00 0.00 C ATOM 462 C LYS A 35 5.514 3.846 2.980 1.00 0.00 C ATOM 463 O LYS A 35 4.939 4.342 2.012 1.00 0.00 O ATOM 464 CB LYS A 35 7.794 2.876 2.331 1.00 0.00 C ATOM 465 CG LYS A 35 8.899 3.501 1.477 1.00 0.00 C ATOM 466 CD LYS A 35 10.060 2.524 1.281 1.00 0.00 C ATOM 467 CE LYS A 35 10.028 1.907 -0.119 1.00 0.00 C ATOM 468 NZ LYS A 35 11.260 1.127 -0.370 1.00 0.00 N ATOM 0 H LYS A 35 7.994 3.118 4.782 1.00 0.00 H new ATOM 0 HA LYS A 35 7.330 4.901 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.228 2.154 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.101 2.328 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.494 3.790 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.262 4.411 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.006 3.043 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.007 1.735 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.155 1.262 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.930 2.693 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.222 0.715 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.088 1.752 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.337 0.365 0.333 1.00 0.00 H new ATOM 482 N LEU A 36 4.906 3.200 3.964 1.00 0.00 N ATOM 483 CA LEU A 36 3.463 3.027 3.967 1.00 0.00 C ATOM 484 C LEU A 36 2.824 4.129 4.814 1.00 0.00 C ATOM 485 O LEU A 36 1.913 4.818 4.358 1.00 0.00 O ATOM 486 CB LEU A 36 3.094 1.612 4.417 1.00 0.00 C ATOM 487 CG LEU A 36 3.572 0.474 3.513 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.102 -0.882 4.044 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.135 0.705 2.065 1.00 0.00 C ATOM 0 H LEU A 36 5.386 2.790 4.765 1.00 0.00 H new ATOM 0 HA LEU A 36 3.064 3.129 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.501 1.452 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.009 1.551 4.502 1.00 0.00 H new ATOM 0 HG LEU A 36 4.662 0.464 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.455 -1.674 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.503 -1.039 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.013 -0.900 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.487 -0.118 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.047 0.756 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.559 1.641 1.702 1.00 0.00 H new ATOM 501 N VAL A 37 3.326 4.261 6.033 1.00 0.00 N ATOM 502 CA VAL A 37 2.815 5.267 6.948 1.00 0.00 C ATOM 503 C VAL A 37 2.778 6.623 6.240 1.00 0.00 C ATOM 504 O VAL A 37 1.883 7.430 6.483 1.00 0.00 O ATOM 505 CB VAL A 37 3.653 5.284 8.228 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.408 6.566 9.027 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.376 4.045 9.081 1.00 0.00 C ATOM 0 H VAL A 37 4.082 3.688 6.408 1.00 0.00 H new ATOM 0 HA VAL A 37 1.794 5.028 7.247 1.00 0.00 H new ATOM 0 HB VAL A 37 4.704 5.264 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.016 6.553 9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.679 7.430 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.354 6.630 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.984 4.082 9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.321 4.020 9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.625 3.149 8.513 1.00 0.00 H new ATOM 517 N ALA A 38 3.762 6.831 5.377 1.00 0.00 N ATOM 518 CA ALA A 38 3.854 8.075 4.632 1.00 0.00 C ATOM 519 C ALA A 38 2.655 8.188 3.688 1.00 0.00 C ATOM 520 O ALA A 38 2.176 9.288 3.416 1.00 0.00 O ATOM 521 CB ALA A 38 5.189 8.127 3.887 1.00 0.00 C ATOM 0 H ALA A 38 4.503 6.159 5.177 1.00 0.00 H new ATOM 0 HA ALA A 38 3.824 8.930 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.258 9.060 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.008 8.072 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.254 7.286 3.197 1.00 0.00 H new ATOM 527 N MET A 39 2.204 7.036 3.215 1.00 0.00 N ATOM 528 CA MET A 39 1.070 6.992 2.307 1.00 0.00 C ATOM 529 C MET A 39 -0.239 7.257 3.053 1.00 0.00 C ATOM 530 O MET A 39 -1.204 7.744 2.466 1.00 0.00 O ATOM 531 CB MET A 39 1.007 5.618 1.636 1.00 0.00 C ATOM 532 CG MET A 39 2.272 5.348 0.819 1.00 0.00 C ATOM 533 SD MET A 39 1.897 5.404 -0.925 1.00 0.00 S ATOM 534 CE MET A 39 1.553 3.679 -1.224 1.00 0.00 C ATOM 0 H MET A 39 2.603 6.126 3.443 1.00 0.00 H new ATOM 0 HA MET A 39 1.200 7.769 1.553 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.888 4.844 2.394 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.133 5.566 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.035 6.089 1.059 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.682 4.372 1.080 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.299 3.535 -2.274 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.433 3.085 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.717 3.362 -0.601 1.00 0.00 H new ATOM 544 N GLY A 40 -0.231 6.924 4.335 1.00 0.00 N ATOM 545 CA GLY A 40 -1.406 7.120 5.167 1.00 0.00 C ATOM 546 C GLY A 40 -1.902 5.790 5.737 1.00 0.00 C ATOM 547 O GLY A 40 -3.076 5.449 5.596 1.00 0.00 O ATOM 0 H GLY A 40 0.571 6.519 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.169 7.803 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.198 7.586 4.580 1.00 0.00 H new ATOM 551 N PHE A 41 -0.984 5.074 6.369 1.00 0.00 N ATOM 552 CA PHE A 41 -1.313 3.789 6.961 1.00 0.00 C ATOM 553 C PHE A 41 -0.762 3.683 8.385 1.00 0.00 C ATOM 554 O PHE A 41 0.272 4.270 8.699 1.00 0.00 O ATOM 555 CB PHE A 41 -0.657 2.715 6.092 1.00 0.00 C ATOM 556 CG PHE A 41 -1.385 2.451 4.773 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.730 2.251 4.767 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.687 2.416 3.606 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.406 2.006 3.542 1.00 0.00 C ATOM 560 CE2 PHE A 41 -1.363 2.172 2.381 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.709 1.972 2.375 1.00 0.00 C ATOM 0 H PHE A 41 -0.012 5.360 6.484 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.395 3.668 7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.369 3.014 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.605 1.785 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.284 2.278 5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.381 2.574 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.474 1.847 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.809 2.145 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.223 1.786 1.444 1.00 0.00 H new ATOM 571 N ASP A 42 -1.478 2.931 9.208 1.00 0.00 N ATOM 572 CA ASP A 42 -1.073 2.741 10.590 1.00 0.00 C ATOM 573 C ASP A 42 0.135 1.803 10.640 1.00 0.00 C ATOM 574 O ASP A 42 0.132 0.747 10.009 1.00 0.00 O ATOM 575 CB ASP A 42 -2.198 2.106 11.411 1.00 0.00 C ATOM 576 CG ASP A 42 -2.290 2.586 12.861 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.265 3.103 13.354 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.385 2.424 13.443 1.00 0.00 O ATOM 0 H ASP A 42 -2.336 2.446 8.944 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.829 3.718 11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.148 2.309 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.062 1.024 11.410 1.00 0.00 H new ATOM 583 N ARG A 43 1.140 2.224 11.395 1.00 0.00 N ATOM 584 CA ARG A 43 2.352 1.435 11.534 1.00 0.00 C ATOM 585 C ARG A 43 2.010 -0.055 11.613 1.00 0.00 C ATOM 586 O ARG A 43 2.671 -0.881 10.986 1.00 0.00 O ATOM 587 CB ARG A 43 3.131 1.839 12.787 1.00 0.00 C ATOM 588 CG ARG A 43 4.336 0.921 13.004 1.00 0.00 C ATOM 589 CD ARG A 43 5.418 1.623 13.827 1.00 0.00 C ATOM 590 NE ARG A 43 5.531 0.989 15.160 1.00 0.00 N ATOM 591 CZ ARG A 43 6.302 1.457 16.151 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.033 2.564 15.966 1.00 0.00 N ATOM 593 NH2 ARG A 43 6.342 0.817 17.327 1.00 0.00 N ATOM 0 H ARG A 43 1.139 3.101 11.916 1.00 0.00 H new ATOM 0 HA ARG A 43 2.972 1.623 10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.468 2.871 12.693 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.475 1.796 13.657 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.018 0.012 13.515 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.746 0.619 12.040 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.374 1.569 13.307 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.175 2.680 13.937 1.00 0.00 H new ATOM 0 HE ARG A 43 4.988 0.143 15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.003 3.051 15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.620 2.920 16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.786 -0.026 17.468 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.929 1.173 18.082 1.00 0.00 H new ATOM 607 N THR A 44 0.977 -0.352 12.388 1.00 0.00 N ATOM 608 CA THR A 44 0.540 -1.727 12.557 1.00 0.00 C ATOM 609 C THR A 44 0.038 -2.294 11.228 1.00 0.00 C ATOM 610 O THR A 44 0.593 -3.264 10.714 1.00 0.00 O ATOM 611 CB THR A 44 -0.514 -1.755 13.666 1.00 0.00 C ATOM 612 OG1 THR A 44 0.198 -1.348 14.832 1.00 0.00 O ATOM 613 CG2 THR A 44 -0.983 -3.174 13.993 1.00 0.00 C ATOM 0 H THR A 44 0.430 0.336 12.906 1.00 0.00 H new ATOM 0 HA THR A 44 1.367 -2.371 12.858 1.00 0.00 H new ATOM 0 HB THR A 44 -1.370 -1.149 13.368 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.411 -1.337 15.600 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.730 -3.137 14.786 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.421 -3.627 13.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.133 -3.771 14.323 1.00 0.00 H new ATOM 621 N GLN A 45 -1.006 -1.664 10.709 1.00 0.00 N ATOM 622 CA GLN A 45 -1.589 -2.094 9.449 1.00 0.00 C ATOM 623 C GLN A 45 -0.488 -2.487 8.462 1.00 0.00 C ATOM 624 O GLN A 45 -0.684 -3.368 7.627 1.00 0.00 O ATOM 625 CB GLN A 45 -2.490 -1.005 8.862 1.00 0.00 C ATOM 626 CG GLN A 45 -3.631 -0.662 9.821 1.00 0.00 C ATOM 627 CD GLN A 45 -4.985 -0.745 9.113 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.445 0.194 8.484 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.597 -1.919 9.250 1.00 0.00 N ATOM 0 H GLN A 45 -1.463 -0.859 11.138 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.210 -2.970 9.638 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.901 -0.111 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.899 -1.341 7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.617 -1.347 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.486 0.342 10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.157 -2.664 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.506 -2.074 8.815 1.00 0.00 H new ATOM 638 N VAL A 46 0.645 -1.814 8.590 1.00 0.00 N ATOM 639 CA VAL A 46 1.778 -2.081 7.720 1.00 0.00 C ATOM 640 C VAL A 46 2.412 -3.417 8.111 1.00 0.00 C ATOM 641 O VAL A 46 2.553 -4.310 7.277 1.00 0.00 O ATOM 642 CB VAL A 46 2.764 -0.913 7.770 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.946 -1.153 6.829 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.066 0.409 7.448 1.00 0.00 C ATOM 0 H VAL A 46 0.803 -1.083 9.284 1.00 0.00 H new ATOM 0 HA VAL A 46 1.451 -2.167 6.684 1.00 0.00 H new ATOM 0 HB VAL A 46 3.153 -0.847 8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.632 -0.308 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.467 -2.063 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.582 -1.259 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.790 1.223 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.635 0.359 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.275 0.589 8.176 1.00 0.00 H new ATOM 654 N GLU A 47 2.778 -3.512 9.381 1.00 0.00 N ATOM 655 CA GLU A 47 3.394 -4.724 9.893 1.00 0.00 C ATOM 656 C GLU A 47 2.490 -5.930 9.634 1.00 0.00 C ATOM 657 O GLU A 47 2.908 -6.901 9.004 1.00 0.00 O ATOM 658 CB GLU A 47 3.714 -4.589 11.383 1.00 0.00 C ATOM 659 CG GLU A 47 4.726 -3.468 11.628 1.00 0.00 C ATOM 660 CD GLU A 47 5.645 -3.806 12.803 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.139 -4.436 13.757 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.833 -3.426 12.721 1.00 0.00 O ATOM 0 H GLU A 47 2.660 -2.769 10.070 1.00 0.00 H new ATOM 0 HA GLU A 47 4.335 -4.880 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.798 -4.385 11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.112 -5.531 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.322 -3.309 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.199 -2.535 11.830 1.00 0.00 H new ATOM 669 N VAL A 48 1.266 -5.830 10.132 1.00 0.00 N ATOM 670 CA VAL A 48 0.299 -6.901 9.962 1.00 0.00 C ATOM 671 C VAL A 48 0.363 -7.417 8.523 1.00 0.00 C ATOM 672 O VAL A 48 0.697 -8.578 8.291 1.00 0.00 O ATOM 673 CB VAL A 48 -1.096 -6.414 10.361 1.00 0.00 C ATOM 674 CG1 VAL A 48 -1.344 -6.626 11.856 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.296 -4.947 9.974 1.00 0.00 C ATOM 0 H VAL A 48 0.922 -5.024 10.653 1.00 0.00 H new ATOM 0 HA VAL A 48 0.537 -7.738 10.618 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.828 -7.008 9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.342 -6.272 12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.264 -7.687 12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.603 -6.070 12.430 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.295 -4.626 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.553 -4.332 10.482 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.183 -4.836 8.896 1.00 0.00 H new ATOM 685 N ALA A 49 0.038 -6.529 7.595 1.00 0.00 N ATOM 686 CA ALA A 49 0.055 -6.880 6.185 1.00 0.00 C ATOM 687 C ALA A 49 1.417 -7.479 5.829 1.00 0.00 C ATOM 688 O ALA A 49 1.507 -8.649 5.461 1.00 0.00 O ATOM 689 CB ALA A 49 -0.275 -5.643 5.347 1.00 0.00 C ATOM 0 H ALA A 49 -0.239 -5.567 7.792 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.703 -7.633 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.262 -5.906 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.264 -5.274 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.466 -4.867 5.537 1.00 0.00 H new ATOM 695 N LEU A 50 2.442 -6.649 5.951 1.00 0.00 N ATOM 696 CA LEU A 50 3.796 -7.082 5.647 1.00 0.00 C ATOM 697 C LEU A 50 3.990 -8.518 6.138 1.00 0.00 C ATOM 698 O LEU A 50 4.755 -9.281 5.551 1.00 0.00 O ATOM 699 CB LEU A 50 4.815 -6.094 6.217 1.00 0.00 C ATOM 700 CG LEU A 50 5.183 -4.914 5.315 1.00 0.00 C ATOM 701 CD1 LEU A 50 5.992 -3.868 6.084 1.00 0.00 C ATOM 702 CD2 LEU A 50 5.911 -5.391 4.057 1.00 0.00 C ATOM 0 H LEU A 50 2.363 -5.679 6.256 1.00 0.00 H new ATOM 0 HA LEU A 50 3.961 -7.088 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.424 -5.700 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.727 -6.641 6.456 1.00 0.00 H new ATOM 0 HG LEU A 50 4.261 -4.432 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.241 -3.040 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.403 -3.496 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.910 -4.321 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.161 -4.532 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.826 -5.912 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.266 -6.069 3.499 1.00 0.00 H new ATOM 714 N ALA A 51 3.283 -8.843 7.211 1.00 0.00 N ATOM 715 CA ALA A 51 3.368 -10.174 7.788 1.00 0.00 C ATOM 716 C ALA A 51 2.810 -11.193 6.793 1.00 0.00 C ATOM 717 O ALA A 51 3.492 -12.149 6.429 1.00 0.00 O ATOM 718 CB ALA A 51 2.627 -10.199 9.126 1.00 0.00 C ATOM 0 H ALA A 51 2.649 -8.208 7.696 1.00 0.00 H new ATOM 0 HA ALA A 51 4.406 -10.441 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.691 -11.197 9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.081 -9.479 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.581 -9.939 8.967 1.00 0.00 H new ATOM 724 N ALA A 52 1.573 -10.954 6.381 1.00 0.00 N ATOM 725 CA ALA A 52 0.915 -11.839 5.436 1.00 0.00 C ATOM 726 C ALA A 52 1.504 -11.617 4.041 1.00 0.00 C ATOM 727 O ALA A 52 1.395 -12.481 3.172 1.00 0.00 O ATOM 728 CB ALA A 52 -0.595 -11.597 5.476 1.00 0.00 C ATOM 0 H ALA A 52 1.010 -10.160 6.685 1.00 0.00 H new ATOM 0 HA ALA A 52 1.085 -12.882 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.089 -12.261 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.969 -11.796 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.805 -10.561 5.209 1.00 0.00 H new ATOM 734 N ALA A 53 2.115 -10.454 3.870 1.00 0.00 N ATOM 735 CA ALA A 53 2.721 -10.107 2.596 1.00 0.00 C ATOM 736 C ALA A 53 4.032 -10.879 2.432 1.00 0.00 C ATOM 737 O ALA A 53 4.512 -11.064 1.315 1.00 0.00 O ATOM 738 CB ALA A 53 2.923 -8.592 2.522 1.00 0.00 C ATOM 0 H ALA A 53 2.203 -9.740 4.593 1.00 0.00 H new ATOM 0 HA ALA A 53 2.067 -10.389 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.378 -8.332 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.959 -8.092 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.576 -8.272 3.334 1.00 0.00 H new ATOM 744 N ASP A 54 4.573 -11.309 3.563 1.00 0.00 N ATOM 745 CA ASP A 54 5.818 -12.057 3.559 1.00 0.00 C ATOM 746 C ASP A 54 6.980 -11.104 3.270 1.00 0.00 C ATOM 747 O ASP A 54 7.863 -11.419 2.474 1.00 0.00 O ATOM 748 CB ASP A 54 5.810 -13.135 2.474 1.00 0.00 C ATOM 749 CG ASP A 54 6.501 -14.445 2.859 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.750 -14.440 2.889 1.00 0.00 O ATOM 751 OD2 ASP A 54 5.764 -15.422 3.114 1.00 0.00 O ATOM 0 H ASP A 54 4.172 -11.153 4.488 1.00 0.00 H new ATOM 0 HA ASP A 54 5.930 -12.529 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.776 -13.352 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.293 -12.735 1.582 1.00 0.00 H new ATOM 756 N ASP A 55 6.941 -9.957 3.933 1.00 0.00 N ATOM 757 CA ASP A 55 7.979 -8.956 3.757 1.00 0.00 C ATOM 758 C ASP A 55 7.909 -8.400 2.333 1.00 0.00 C ATOM 759 O ASP A 55 8.923 -7.980 1.777 1.00 0.00 O ATOM 760 CB ASP A 55 9.369 -9.562 3.960 1.00 0.00 C ATOM 761 CG ASP A 55 10.506 -8.546 4.085 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.397 -7.680 4.979 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.458 -8.658 3.283 1.00 0.00 O ATOM 0 H ASP A 55 6.207 -9.699 4.593 1.00 0.00 H new ATOM 0 HA ASP A 55 7.817 -8.170 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.352 -10.178 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.585 -10.225 3.123 1.00 0.00 H new ATOM 768 N ASP A 56 6.703 -8.413 1.786 1.00 0.00 N ATOM 769 CA ASP A 56 6.488 -7.915 0.438 1.00 0.00 C ATOM 770 C ASP A 56 5.702 -6.604 0.503 1.00 0.00 C ATOM 771 O ASP A 56 4.490 -6.612 0.713 1.00 0.00 O ATOM 772 CB ASP A 56 5.677 -8.911 -0.395 1.00 0.00 C ATOM 773 CG ASP A 56 5.559 -8.566 -1.880 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.370 -7.365 -2.171 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.659 -9.512 -2.692 1.00 0.00 O ATOM 0 H ASP A 56 5.864 -8.760 2.251 1.00 0.00 H new ATOM 0 HA ASP A 56 7.463 -7.766 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.134 -9.896 -0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.674 -8.983 0.027 1.00 0.00 H new ATOM 780 N LEU A 57 6.425 -5.509 0.319 1.00 0.00 N ATOM 781 CA LEU A 57 5.811 -4.192 0.354 1.00 0.00 C ATOM 782 C LEU A 57 4.726 -4.111 -0.723 1.00 0.00 C ATOM 783 O LEU A 57 3.552 -3.917 -0.413 1.00 0.00 O ATOM 784 CB LEU A 57 6.876 -3.101 0.237 1.00 0.00 C ATOM 785 CG LEU A 57 6.430 -1.685 0.610 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.255 -1.721 1.589 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.603 -0.866 1.151 1.00 0.00 C ATOM 0 H LEU A 57 7.430 -5.507 0.145 1.00 0.00 H new ATOM 0 HA LEU A 57 5.322 -4.025 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.719 -3.374 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.242 -3.087 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 57 6.080 -1.187 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.957 -0.702 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.415 -2.243 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.554 -2.244 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.259 0.136 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.006 -1.351 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.381 -0.798 0.391 1.00 0.00 H new ATOM 799 N THR A 58 5.159 -4.264 -1.966 1.00 0.00 N ATOM 800 CA THR A 58 4.240 -4.210 -3.090 1.00 0.00 C ATOM 801 C THR A 58 2.912 -4.878 -2.726 1.00 0.00 C ATOM 802 O THR A 58 1.845 -4.308 -2.947 1.00 0.00 O ATOM 803 CB THR A 58 4.931 -4.849 -4.296 1.00 0.00 C ATOM 804 OG1 THR A 58 5.736 -3.802 -4.830 1.00 0.00 O ATOM 805 CG2 THR A 58 3.952 -5.179 -5.425 1.00 0.00 C ATOM 0 H THR A 58 6.134 -4.425 -2.219 1.00 0.00 H new ATOM 0 HA THR A 58 3.990 -3.181 -3.348 1.00 0.00 H new ATOM 0 HB THR A 58 5.442 -5.759 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.221 -4.131 -5.615 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.494 -5.630 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.199 -5.878 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.465 -4.264 -5.763 1.00 0.00 H new ATOM 813 N VAL A 59 3.022 -6.078 -2.174 1.00 0.00 N ATOM 814 CA VAL A 59 1.843 -6.829 -1.777 1.00 0.00 C ATOM 815 C VAL A 59 1.173 -6.130 -0.593 1.00 0.00 C ATOM 816 O VAL A 59 -0.019 -5.831 -0.638 1.00 0.00 O ATOM 817 CB VAL A 59 2.225 -8.280 -1.477 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.004 -9.087 -1.031 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.900 -8.931 -2.686 1.00 0.00 C ATOM 0 H VAL A 59 3.909 -6.548 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 59 1.117 -6.859 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 59 2.942 -8.275 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.303 -10.115 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.584 -8.643 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.254 -9.080 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.161 -9.962 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.216 -8.918 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.804 -8.377 -2.940 1.00 0.00 H new ATOM 829 N ALA A 60 1.968 -5.890 0.439 1.00 0.00 N ATOM 830 CA ALA A 60 1.467 -5.232 1.633 1.00 0.00 C ATOM 831 C ALA A 60 0.540 -4.085 1.227 1.00 0.00 C ATOM 832 O ALA A 60 -0.614 -4.034 1.650 1.00 0.00 O ATOM 833 CB ALA A 60 2.644 -4.756 2.487 1.00 0.00 C ATOM 0 H ALA A 60 2.956 -6.140 0.473 1.00 0.00 H new ATOM 0 HA ALA A 60 0.886 -5.927 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.267 -4.262 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.255 -5.612 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.249 -4.054 1.913 1.00 0.00 H new ATOM 839 N VAL A 61 1.079 -3.191 0.411 1.00 0.00 N ATOM 840 CA VAL A 61 0.315 -2.048 -0.057 1.00 0.00 C ATOM 841 C VAL A 61 -1.101 -2.500 -0.418 1.00 0.00 C ATOM 842 O VAL A 61 -2.078 -1.980 0.119 1.00 0.00 O ATOM 843 CB VAL A 61 1.042 -1.374 -1.223 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.175 -0.281 -1.852 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.393 -0.812 -0.775 1.00 0.00 C ATOM 0 H VAL A 61 2.036 -3.236 0.062 1.00 0.00 H new ATOM 0 HA VAL A 61 0.227 -1.300 0.730 1.00 0.00 H new ATOM 0 HB VAL A 61 1.230 -2.132 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.715 0.182 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.750 -0.720 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.058 0.475 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.889 -0.338 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.237 -0.075 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.016 -1.622 -0.396 1.00 0.00 H new ATOM 855 N GLU A 62 -1.168 -3.463 -1.325 1.00 0.00 N ATOM 856 CA GLU A 62 -2.449 -3.991 -1.764 1.00 0.00 C ATOM 857 C GLU A 62 -3.327 -4.326 -0.556 1.00 0.00 C ATOM 858 O GLU A 62 -4.532 -4.084 -0.574 1.00 0.00 O ATOM 859 CB GLU A 62 -2.259 -5.216 -2.660 1.00 0.00 C ATOM 860 CG GLU A 62 -1.493 -4.851 -3.933 1.00 0.00 C ATOM 861 CD GLU A 62 -2.379 -4.060 -4.898 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.375 -4.651 -5.368 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.040 -2.883 -5.145 1.00 0.00 O ATOM 0 H GLU A 62 -0.356 -3.892 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.953 -3.225 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.718 -5.989 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.231 -5.633 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.613 -4.262 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.138 -5.759 -4.421 1.00 0.00 H new ATOM 870 N ILE A 63 -2.687 -4.878 0.465 1.00 0.00 N ATOM 871 CA ILE A 63 -3.395 -5.248 1.679 1.00 0.00 C ATOM 872 C ILE A 63 -3.820 -3.981 2.423 1.00 0.00 C ATOM 873 O ILE A 63 -4.981 -3.841 2.804 1.00 0.00 O ATOM 874 CB ILE A 63 -2.547 -6.202 2.523 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.413 -7.565 1.842 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.106 -6.322 3.942 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.231 -8.350 2.415 1.00 0.00 C ATOM 0 H ILE A 63 -1.687 -5.078 0.476 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.306 -5.796 1.437 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.544 -5.785 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.332 -8.135 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.277 -7.428 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.485 -7.006 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.106 -5.341 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.126 -6.705 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.158 -9.315 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.310 -7.788 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.382 -8.506 3.483 1.00 0.00 H new ATOM 889 N LEU A 64 -2.857 -3.090 2.607 1.00 0.00 N ATOM 890 CA LEU A 64 -3.118 -1.839 3.299 1.00 0.00 C ATOM 891 C LEU A 64 -4.282 -1.117 2.617 1.00 0.00 C ATOM 892 O LEU A 64 -5.188 -0.623 3.287 1.00 0.00 O ATOM 893 CB LEU A 64 -1.842 -1.000 3.388 1.00 0.00 C ATOM 894 CG LEU A 64 -0.828 -1.432 4.450 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.020 -0.641 5.745 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.890 -2.942 4.685 1.00 0.00 C ATOM 0 H LEU A 64 -1.895 -3.209 2.289 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.420 -2.029 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.350 -1.019 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.124 0.035 3.583 1.00 0.00 H new ATOM 0 HG LEU A 64 0.172 -1.205 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.287 -0.967 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.885 0.422 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.025 -0.813 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.160 -3.222 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.889 -3.217 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.666 -3.464 3.755 1.00 0.00 H new ATOM 908 N MET A 65 -4.220 -1.079 1.295 1.00 0.00 N ATOM 909 CA MET A 65 -5.257 -0.426 0.515 1.00 0.00 C ATOM 910 C MET A 65 -6.629 -1.039 0.804 1.00 0.00 C ATOM 911 O MET A 65 -7.613 -0.320 0.969 1.00 0.00 O ATOM 912 CB MET A 65 -4.940 -0.564 -0.975 1.00 0.00 C ATOM 913 CG MET A 65 -4.141 0.640 -1.480 1.00 0.00 C ATOM 914 SD MET A 65 -5.195 1.710 -2.445 1.00 0.00 S ATOM 915 CE MET A 65 -4.671 3.300 -1.827 1.00 0.00 C ATOM 0 H MET A 65 -3.467 -1.490 0.743 1.00 0.00 H new ATOM 0 HA MET A 65 -5.284 0.628 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.373 -1.479 -1.147 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.867 -0.653 -1.541 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.725 1.190 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.300 0.301 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.233 4.088 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.852 3.351 -0.753 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.607 3.433 -2.022 1.00 0.00 H new