USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 411 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.77! K(o=-2.8!,f=-1) USER MOD Single : A 34 HIS : no HD1:sc= -16.8! C(o=-17!,f=-14!) USER MOD Single : A 39 ASN : amide:sc= -1.59 K(o=-1.6,f=-6.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -170:sc= 0 (180deg=-0.0951) USER MOD Single : A 55 ASN : amide:sc= -8.3! C(o=-8.3!,f=-10!) USER MOD Single : A 60 ASN : amide:sc= -0.227 K(o=-0.23,f=-0.91) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 71 LYS NZ :NH3+ -104:sc= -2.83! (180deg=-8.91!) USER MOD Single : A 73 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.981 1.643 -0.719 1.00 0.00 N ATOM 363 CA VAL A 26 7.048 3.084 -0.485 1.00 0.00 C ATOM 364 C VAL A 26 5.688 3.637 -0.081 1.00 0.00 C ATOM 365 O VAL A 26 5.577 4.428 0.854 1.00 0.00 O ATOM 366 CB VAL A 26 7.563 3.839 -1.734 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.496 3.939 -2.817 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.073 5.218 -1.355 1.00 0.00 C ATOM 0 HA VAL A 26 7.753 3.241 0.331 1.00 0.00 H new ATOM 0 HB VAL A 26 8.391 3.262 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.899 4.476 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.194 2.938 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.631 4.475 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.430 5.732 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.265 5.794 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.891 5.120 -0.641 1.00 0.00 H new ATOM 378 N LEU A 27 4.657 3.216 -0.802 1.00 0.00 N ATOM 379 CA LEU A 27 3.296 3.662 -0.533 1.00 0.00 C ATOM 380 C LEU A 27 2.976 3.591 0.954 1.00 0.00 C ATOM 381 O LEU A 27 2.466 4.548 1.530 1.00 0.00 O ATOM 382 CB LEU A 27 2.296 2.813 -1.317 1.00 0.00 C ATOM 383 CG LEU A 27 2.472 2.837 -2.835 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.392 2.007 -3.512 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.464 4.266 -3.353 1.00 0.00 C ATOM 0 H LEU A 27 4.738 2.563 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 27 3.217 4.701 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.373 1.781 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.289 3.154 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 27 3.439 2.396 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.534 2.036 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.455 0.975 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.412 2.414 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.591 4.261 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.515 4.739 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.281 4.824 -2.895 1.00 0.00 H new ATOM 397 N GLY A 28 3.277 2.448 1.568 1.00 0.00 N ATOM 398 CA GLY A 28 3.007 2.267 2.984 1.00 0.00 C ATOM 399 C GLY A 28 3.754 3.260 3.852 1.00 0.00 C ATOM 400 O GLY A 28 3.174 3.854 4.761 1.00 0.00 O ATOM 0 H GLY A 28 3.704 1.644 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.936 2.368 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.284 1.254 3.276 1.00 0.00 H new ATOM 404 N GLU A 29 5.039 3.450 3.571 1.00 0.00 N ATOM 405 CA GLU A 29 5.848 4.391 4.336 1.00 0.00 C ATOM 406 C GLU A 29 5.272 5.797 4.215 1.00 0.00 C ATOM 407 O GLU A 29 4.980 6.450 5.216 1.00 0.00 O ATOM 408 CB GLU A 29 7.298 4.372 3.849 1.00 0.00 C ATOM 409 CG GLU A 29 7.892 2.977 3.763 1.00 0.00 C ATOM 410 CD GLU A 29 9.408 2.991 3.699 1.00 0.00 C ATOM 411 OE1 GLU A 29 10.034 3.578 4.606 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.968 2.413 2.744 1.00 0.00 O ATOM 0 H GLU A 29 5.540 2.968 2.824 1.00 0.00 H new ATOM 0 HA GLU A 29 5.831 4.091 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.349 4.841 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.907 4.976 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.574 2.397 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.499 2.473 2.880 1.00 0.00 H new ATOM 419 N ARG A 30 5.093 6.250 2.977 1.00 0.00 N ATOM 420 CA ARG A 30 4.534 7.572 2.715 1.00 0.00 C ATOM 421 C ARG A 30 3.065 7.631 3.145 1.00 0.00 C ATOM 422 O ARG A 30 2.500 8.713 3.304 1.00 0.00 O ATOM 423 CB ARG A 30 4.662 7.921 1.227 1.00 0.00 C ATOM 424 CG ARG A 30 5.979 7.475 0.603 1.00 0.00 C ATOM 425 CD ARG A 30 6.750 8.647 0.012 1.00 0.00 C ATOM 426 NE ARG A 30 8.049 8.233 -0.523 1.00 0.00 N ATOM 427 CZ ARG A 30 8.419 8.379 -1.797 1.00 0.00 C ATOM 428 NH1 ARG A 30 7.599 8.933 -2.683 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.620 7.970 -2.185 1.00 0.00 N ATOM 0 H ARG A 30 5.328 5.719 2.138 1.00 0.00 H new ATOM 0 HA ARG A 30 5.096 8.302 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.838 7.460 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.560 8.999 1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.590 6.982 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.781 6.740 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.160 9.106 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.899 9.407 0.779 1.00 0.00 H new ATOM 0 HE ARG A 30 8.715 7.805 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.675 9.252 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.893 9.039 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.257 7.546 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.907 8.080 -3.158 1.00 0.00 H new ATOM 443 N LEU A 31 2.455 6.458 3.327 1.00 0.00 N ATOM 444 CA LEU A 31 1.057 6.368 3.736 1.00 0.00 C ATOM 445 C LEU A 31 0.872 6.830 5.179 1.00 0.00 C ATOM 446 O LEU A 31 0.148 7.784 5.456 1.00 0.00 O ATOM 447 CB LEU A 31 0.578 4.917 3.610 1.00 0.00 C ATOM 448 CG LEU A 31 -0.765 4.728 2.911 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.601 3.898 1.646 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.764 4.079 3.859 1.00 0.00 C ATOM 0 H LEU A 31 2.912 5.555 3.196 1.00 0.00 H new ATOM 0 HA LEU A 31 0.472 7.018 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.334 4.349 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.512 4.486 4.609 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.148 5.707 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.570 3.775 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.082 4.405 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.197 2.919 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.718 3.949 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.387 3.107 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.903 4.716 4.733 1.00 0.00 H new ATOM 462 N TYR A 32 1.537 6.136 6.091 1.00 0.00 N ATOM 463 CA TYR A 32 1.459 6.443 7.515 1.00 0.00 C ATOM 464 C TYR A 32 1.704 7.924 7.781 1.00 0.00 C ATOM 465 O TYR A 32 1.172 8.482 8.735 1.00 0.00 O ATOM 466 CB TYR A 32 2.482 5.584 8.273 1.00 0.00 C ATOM 467 CG TYR A 32 2.322 5.582 9.779 1.00 0.00 C ATOM 468 CD1 TYR A 32 1.403 4.743 10.396 1.00 0.00 C ATOM 469 CD2 TYR A 32 3.103 6.404 10.583 1.00 0.00 C ATOM 470 CE1 TYR A 32 1.262 4.727 11.772 1.00 0.00 C ATOM 471 CE2 TYR A 32 2.969 6.391 11.960 1.00 0.00 C ATOM 472 CZ TYR A 32 2.048 5.551 12.549 1.00 0.00 C ATOM 473 OH TYR A 32 1.912 5.536 13.920 1.00 0.00 O ATOM 0 H TYR A 32 2.144 5.347 5.868 1.00 0.00 H new ATOM 0 HA TYR A 32 0.453 6.213 7.867 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.410 4.558 7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.484 5.938 8.029 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.788 4.092 9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.826 7.063 10.126 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.539 4.072 12.236 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.583 7.036 12.571 1.00 0.00 H new ATOM 0 HH TYR A 32 2.540 6.174 14.318 1.00 0.00 H new ATOM 483 N ASN A 33 2.517 8.553 6.943 1.00 0.00 N ATOM 484 CA ASN A 33 2.841 9.970 7.099 1.00 0.00 C ATOM 485 C ASN A 33 1.643 10.860 6.801 1.00 0.00 C ATOM 486 O ASN A 33 1.451 11.895 7.442 1.00 0.00 O ATOM 487 CB ASN A 33 4.003 10.341 6.172 1.00 0.00 C ATOM 488 CG ASN A 33 4.209 11.842 6.049 1.00 0.00 C ATOM 489 OD1 ASN A 33 5.202 12.381 6.538 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.273 12.525 5.390 1.00 0.00 N ATOM 0 H ASN A 33 2.967 8.105 6.145 1.00 0.00 H new ATOM 0 HA ASN A 33 3.128 10.133 8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.919 9.884 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.819 9.923 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.364 13.534 5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.466 12.038 5.001 1.00 0.00 H new ATOM 497 N HIS A 34 0.859 10.479 5.812 1.00 0.00 N ATOM 498 CA HIS A 34 -0.290 11.272 5.434 1.00 0.00 C ATOM 499 C HIS A 34 -1.291 11.342 6.580 1.00 0.00 C ATOM 500 O HIS A 34 -1.899 12.379 6.840 1.00 0.00 O ATOM 501 CB HIS A 34 -0.941 10.695 4.170 1.00 0.00 C ATOM 502 CG HIS A 34 -1.751 9.453 4.385 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.582 8.293 3.660 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.758 9.208 5.241 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.458 7.390 4.077 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.182 7.926 5.034 1.00 0.00 N ATOM 0 H HIS A 34 0.996 9.632 5.260 1.00 0.00 H new ATOM 0 HA HIS A 34 0.042 12.287 5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.583 11.458 3.730 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.158 10.479 3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.161 9.902 5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.560 6.385 3.695 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.936 7.461 5.539 1.00 0.00 H new ATOM 515 N ILE A 35 -1.473 10.208 7.227 1.00 0.00 N ATOM 516 CA ILE A 35 -2.420 10.079 8.331 1.00 0.00 C ATOM 517 C ILE A 35 -1.772 10.206 9.715 1.00 0.00 C ATOM 518 O ILE A 35 -2.460 10.510 10.686 1.00 0.00 O ATOM 519 CB ILE A 35 -3.191 8.743 8.244 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.984 8.488 9.525 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.242 7.590 7.963 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.022 7.398 9.389 1.00 0.00 C ATOM 0 H ILE A 35 -0.972 9.347 7.007 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.110 10.916 8.222 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.896 8.814 7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.292 8.221 10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.477 9.412 9.827 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.807 6.660 7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.730 7.762 7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.507 7.520 8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.545 7.273 10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.737 7.672 8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.533 6.462 9.118 1.00 0.00 H new ATOM 534 N VAL A 36 -0.467 9.952 9.830 1.00 0.00 N ATOM 535 CA VAL A 36 0.183 10.033 11.139 1.00 0.00 C ATOM 536 C VAL A 36 -0.109 11.374 11.806 1.00 0.00 C ATOM 537 O VAL A 36 -0.521 11.425 12.963 1.00 0.00 O ATOM 538 CB VAL A 36 1.714 9.820 11.078 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.382 10.892 10.239 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.305 9.795 12.482 1.00 0.00 C ATOM 0 H VAL A 36 0.146 9.695 9.056 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.238 9.219 11.729 1.00 0.00 H new ATOM 0 HB VAL A 36 1.902 8.857 10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.458 10.717 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.985 10.860 9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.184 11.871 10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.383 9.644 12.420 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.099 10.742 12.980 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.857 8.981 13.051 1.00 0.00 H new ATOM 550 N ALA A 37 0.108 12.459 11.069 1.00 0.00 N ATOM 551 CA ALA A 37 -0.134 13.796 11.595 1.00 0.00 C ATOM 552 C ALA A 37 -1.626 14.109 11.646 1.00 0.00 C ATOM 553 O ALA A 37 -2.062 14.972 12.407 1.00 0.00 O ATOM 554 CB ALA A 37 0.597 14.833 10.756 1.00 0.00 C ATOM 0 H ALA A 37 0.450 12.438 10.108 1.00 0.00 H new ATOM 0 HA ALA A 37 0.250 13.832 12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.407 15.827 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.668 14.630 10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.240 14.786 9.727 1.00 0.00 H new ATOM 560 N ILE A 38 -2.406 13.409 10.826 1.00 0.00 N ATOM 561 CA ILE A 38 -3.851 13.638 10.785 1.00 0.00 C ATOM 562 C ILE A 38 -4.601 12.726 11.760 1.00 0.00 C ATOM 563 O ILE A 38 -5.205 13.202 12.720 1.00 0.00 O ATOM 564 CB ILE A 38 -4.407 13.468 9.351 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.986 14.660 8.490 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.927 13.337 9.360 1.00 0.00 C ATOM 567 CD1 ILE A 38 -2.489 14.877 8.443 1.00 0.00 C ATOM 0 H ILE A 38 -2.070 12.688 10.188 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.016 14.669 11.098 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.994 12.552 8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.355 14.512 7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.463 15.561 8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.288 13.219 8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.214 12.466 9.949 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.367 14.233 9.799 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.266 15.739 7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.116 15.057 9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.006 13.992 8.030 1.00 0.00 H new ATOM 579 N ASN A 39 -4.559 11.420 11.517 1.00 0.00 N ATOM 580 CA ASN A 39 -5.233 10.461 12.388 1.00 0.00 C ATOM 581 C ASN A 39 -4.248 9.425 12.927 1.00 0.00 C ATOM 582 O ASN A 39 -4.203 8.289 12.454 1.00 0.00 O ATOM 583 CB ASN A 39 -6.374 9.766 11.637 1.00 0.00 C ATOM 584 CG ASN A 39 -7.699 10.477 11.818 1.00 0.00 C ATOM 585 OD1 ASN A 39 -7.922 11.550 11.257 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.589 9.881 12.603 1.00 0.00 N ATOM 0 H ASN A 39 -4.067 11.002 10.727 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.650 11.008 13.233 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.132 9.719 10.575 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.465 8.738 11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.500 10.312 12.761 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.362 8.992 13.048 1.00 0.00 H new ATOM 593 N PRO A 40 -3.434 9.809 13.928 1.00 0.00 N ATOM 594 CA PRO A 40 -2.437 8.916 14.531 1.00 0.00 C ATOM 595 C PRO A 40 -3.024 7.577 14.967 1.00 0.00 C ATOM 596 O PRO A 40 -2.425 6.526 14.734 1.00 0.00 O ATOM 597 CB PRO A 40 -1.942 9.695 15.750 1.00 0.00 C ATOM 598 CG PRO A 40 -2.205 11.127 15.432 1.00 0.00 C ATOM 599 CD PRO A 40 -3.420 11.151 14.541 1.00 0.00 C ATOM 0 HA PRO A 40 -1.652 8.661 13.818 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.469 9.389 16.654 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.881 9.519 15.925 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.380 11.701 16.342 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.348 11.577 14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.330 11.340 15.111 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.347 11.935 13.787 1.00 0.00 H new ATOM 607 N ALA A 41 -4.189 7.615 15.607 1.00 0.00 N ATOM 608 CA ALA A 41 -4.843 6.396 16.079 1.00 0.00 C ATOM 609 C ALA A 41 -5.607 5.696 14.957 1.00 0.00 C ATOM 610 O ALA A 41 -6.729 5.228 15.154 1.00 0.00 O ATOM 611 CB ALA A 41 -5.777 6.715 17.237 1.00 0.00 C ATOM 0 H ALA A 41 -4.700 8.474 15.811 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.066 5.714 16.425 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.258 5.799 17.579 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.205 7.153 18.055 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.538 7.422 16.907 1.00 0.00 H new ATOM 617 N ALA A 42 -4.989 5.617 13.783 1.00 0.00 N ATOM 618 CA ALA A 42 -5.595 4.964 12.634 1.00 0.00 C ATOM 619 C ALA A 42 -4.526 4.585 11.620 1.00 0.00 C ATOM 620 O ALA A 42 -4.582 3.517 11.012 1.00 0.00 O ATOM 621 CB ALA A 42 -6.643 5.859 11.997 1.00 0.00 C ATOM 0 H ALA A 42 -4.061 6.001 13.604 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.089 4.054 12.975 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.083 5.350 11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.422 6.082 12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.177 6.788 11.668 1.00 0.00 H new ATOM 627 N ALA A 43 -3.548 5.477 11.448 1.00 0.00 N ATOM 628 CA ALA A 43 -2.447 5.257 10.517 1.00 0.00 C ATOM 629 C ALA A 43 -1.962 3.809 10.573 1.00 0.00 C ATOM 630 O ALA A 43 -1.848 3.147 9.545 1.00 0.00 O ATOM 631 CB ALA A 43 -1.308 6.213 10.826 1.00 0.00 C ATOM 0 H ALA A 43 -3.500 6.365 11.948 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.807 5.450 9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.490 6.042 10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.659 7.240 10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.957 6.043 11.844 1.00 0.00 H new ATOM 637 N ALA A 44 -1.675 3.327 11.779 1.00 0.00 N ATOM 638 CA ALA A 44 -1.202 1.958 11.961 1.00 0.00 C ATOM 639 C ALA A 44 -2.154 0.953 11.328 1.00 0.00 C ATOM 640 O ALA A 44 -1.734 -0.094 10.836 1.00 0.00 O ATOM 641 CB ALA A 44 -1.017 1.651 13.442 1.00 0.00 C ATOM 0 H ALA A 44 -1.761 3.862 12.643 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.239 1.869 11.459 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.664 0.626 13.560 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.285 2.338 13.867 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.969 1.769 13.960 1.00 0.00 H new ATOM 647 N LYS A 45 -3.441 1.278 11.341 1.00 0.00 N ATOM 648 CA LYS A 45 -4.454 0.406 10.765 1.00 0.00 C ATOM 649 C LYS A 45 -4.604 0.682 9.277 1.00 0.00 C ATOM 650 O LYS A 45 -4.703 -0.240 8.469 1.00 0.00 O ATOM 651 CB LYS A 45 -5.794 0.604 11.473 1.00 0.00 C ATOM 652 CG LYS A 45 -5.674 0.705 12.983 1.00 0.00 C ATOM 653 CD LYS A 45 -7.020 0.505 13.662 1.00 0.00 C ATOM 654 CE LYS A 45 -7.012 1.049 15.082 1.00 0.00 C ATOM 655 NZ LYS A 45 -8.232 1.852 15.374 1.00 0.00 N ATOM 0 H LYS A 45 -3.807 2.140 11.745 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.137 -0.628 10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.266 1.510 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.453 -0.227 11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.968 -0.043 13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.270 1.681 13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.798 1.004 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.266 -0.557 13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.944 0.221 15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.126 1.667 15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.189 2.205 16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.284 2.656 14.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.076 1.256 15.258 1.00 0.00 H new ATOM 669 N VAL A 46 -4.619 1.961 8.923 1.00 0.00 N ATOM 670 CA VAL A 46 -4.757 2.367 7.535 1.00 0.00 C ATOM 671 C VAL A 46 -3.538 1.967 6.711 1.00 0.00 C ATOM 672 O VAL A 46 -3.672 1.506 5.583 1.00 0.00 O ATOM 673 CB VAL A 46 -4.962 3.888 7.418 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.161 4.294 5.966 1.00 0.00 C ATOM 675 CG2 VAL A 46 -6.145 4.335 8.264 1.00 0.00 C ATOM 0 H VAL A 46 -4.537 2.735 9.582 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.635 1.852 7.144 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.065 4.382 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.304 5.373 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.283 4.012 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.039 3.789 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.274 5.413 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.048 3.830 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.961 4.083 9.308 1.00 0.00 H new ATOM 685 N THR A 47 -2.355 2.162 7.276 1.00 0.00 N ATOM 686 CA THR A 47 -1.108 1.835 6.587 1.00 0.00 C ATOM 687 C THR A 47 -0.962 0.333 6.365 1.00 0.00 C ATOM 688 O THR A 47 -0.723 -0.119 5.245 1.00 0.00 O ATOM 689 CB THR A 47 0.088 2.351 7.390 1.00 0.00 C ATOM 690 OG1 THR A 47 -0.039 3.739 7.647 1.00 0.00 O ATOM 691 CG2 THR A 47 1.417 2.124 6.698 1.00 0.00 C ATOM 0 H THR A 47 -2.229 2.546 8.213 1.00 0.00 H new ATOM 0 HA THR A 47 -1.136 2.321 5.612 1.00 0.00 H new ATOM 0 HB THR A 47 0.081 1.780 8.318 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.694 3.881 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.223 2.513 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.566 1.056 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.420 2.639 5.738 1.00 0.00 H new ATOM 699 N GLY A 48 -1.089 -0.432 7.439 1.00 0.00 N ATOM 700 CA GLY A 48 -0.950 -1.872 7.349 1.00 0.00 C ATOM 701 C GLY A 48 -2.065 -2.509 6.560 1.00 0.00 C ATOM 702 O GLY A 48 -1.824 -3.242 5.599 1.00 0.00 O ATOM 0 H GLY A 48 -1.287 -0.080 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.005 -2.114 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.931 -2.296 8.353 1.00 0.00 H new ATOM 706 N MET A 49 -3.291 -2.229 6.970 1.00 0.00 N ATOM 707 CA MET A 49 -4.458 -2.779 6.305 1.00 0.00 C ATOM 708 C MET A 49 -4.635 -2.160 4.924 1.00 0.00 C ATOM 709 O MET A 49 -4.837 -2.883 3.953 1.00 0.00 O ATOM 710 CB MET A 49 -5.711 -2.554 7.151 1.00 0.00 C ATOM 711 CG MET A 49 -5.578 -3.068 8.575 1.00 0.00 C ATOM 712 SD MET A 49 -5.099 -4.805 8.640 1.00 0.00 S ATOM 713 CE MET A 49 -3.723 -4.734 9.783 1.00 0.00 C ATOM 0 H MET A 49 -3.503 -1.622 7.762 1.00 0.00 H new ATOM 0 HA MET A 49 -4.306 -3.852 6.184 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.936 -1.488 7.177 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.557 -3.047 6.672 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.837 -2.470 9.106 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.527 -2.936 9.096 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.317 -5.735 9.927 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.948 -4.083 9.379 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.065 -4.340 10.740 1.00 0.00 H new ATOM 723 N LEU A 50 -4.589 -0.819 4.864 1.00 0.00 N ATOM 724 CA LEU A 50 -4.774 -0.055 3.612 1.00 0.00 C ATOM 725 C LEU A 50 -5.490 -0.857 2.522 1.00 0.00 C ATOM 726 O LEU A 50 -6.612 -0.528 2.138 1.00 0.00 O ATOM 727 CB LEU A 50 -3.429 0.428 3.074 1.00 0.00 C ATOM 728 CG LEU A 50 -3.508 1.256 1.785 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.919 2.695 2.083 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.175 1.219 1.049 1.00 0.00 C ATOM 0 H LEU A 50 -4.423 -0.231 5.681 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.406 0.796 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.940 1.026 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.794 -0.439 2.893 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.271 0.816 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.967 3.260 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.898 2.702 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.186 3.153 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.247 1.811 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.395 1.631 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.928 0.188 0.794 1.00 0.00 H new ATOM 742 N LEU A 51 -4.839 -1.906 2.026 1.00 0.00 N ATOM 743 CA LEU A 51 -5.420 -2.743 0.987 1.00 0.00 C ATOM 744 C LEU A 51 -6.557 -3.602 1.537 1.00 0.00 C ATOM 745 O LEU A 51 -6.405 -4.809 1.716 1.00 0.00 O ATOM 746 CB LEU A 51 -4.344 -3.636 0.363 1.00 0.00 C ATOM 747 CG LEU A 51 -3.463 -2.954 -0.687 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.222 -2.356 -0.041 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.077 -3.935 -1.783 1.00 0.00 C ATOM 0 H LEU A 51 -3.909 -2.194 2.329 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.831 -2.087 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.704 -4.018 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.830 -4.497 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.036 -2.145 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.610 -1.876 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.519 -1.617 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.647 -3.146 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.451 -3.430 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.525 -4.768 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.978 -4.310 -2.269 1.00 0.00 H new ATOM 761 N GLU A 52 -7.696 -2.967 1.801 1.00 0.00 N ATOM 762 CA GLU A 52 -8.862 -3.673 2.327 1.00 0.00 C ATOM 763 C GLU A 52 -9.833 -4.019 1.198 1.00 0.00 C ATOM 764 O GLU A 52 -9.533 -3.806 0.026 1.00 0.00 O ATOM 765 CB GLU A 52 -9.572 -2.826 3.391 1.00 0.00 C ATOM 766 CG GLU A 52 -8.635 -1.938 4.197 1.00 0.00 C ATOM 767 CD GLU A 52 -9.100 -1.744 5.628 1.00 0.00 C ATOM 768 OE1 GLU A 52 -10.307 -1.933 5.890 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.259 -1.406 6.486 1.00 0.00 O ATOM 0 H GLU A 52 -7.837 -1.967 1.660 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.519 -4.598 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.320 -2.201 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.105 -3.489 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.637 -2.377 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.554 -0.966 3.711 1.00 0.00 H new ATOM 776 N MET A 53 -10.989 -4.570 1.555 1.00 0.00 N ATOM 777 CA MET A 53 -11.980 -4.952 0.551 1.00 0.00 C ATOM 778 C MET A 53 -12.585 -3.726 -0.132 1.00 0.00 C ATOM 779 O MET A 53 -12.431 -3.538 -1.343 1.00 0.00 O ATOM 780 CB MET A 53 -13.085 -5.784 1.199 1.00 0.00 C ATOM 781 CG MET A 53 -12.569 -7.014 1.925 1.00 0.00 C ATOM 782 SD MET A 53 -11.902 -8.253 0.798 1.00 0.00 S ATOM 783 CE MET A 53 -13.410 -8.953 0.135 1.00 0.00 C ATOM 0 H MET A 53 -11.262 -4.761 2.519 1.00 0.00 H new ATOM 0 HA MET A 53 -11.475 -5.546 -0.210 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.634 -5.159 1.904 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.793 -6.095 0.431 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.795 -6.716 2.632 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.379 -7.455 2.506 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.173 -9.848 -0.440 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.080 -9.215 0.954 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.896 -8.223 -0.513 1.00 0.00 H new ATOM 793 N ASP A 54 -13.252 -2.877 0.644 1.00 0.00 N ATOM 794 CA ASP A 54 -13.855 -1.671 0.093 1.00 0.00 C ATOM 795 C ASP A 54 -12.858 -0.523 0.144 1.00 0.00 C ATOM 796 O ASP A 54 -12.393 -0.044 -0.892 1.00 0.00 O ATOM 797 CB ASP A 54 -15.139 -1.312 0.842 1.00 0.00 C ATOM 798 CG ASP A 54 -14.952 -1.205 2.342 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.915 -2.257 3.013 1.00 0.00 O ATOM 800 OD2 ASP A 54 -14.842 -0.066 2.847 1.00 0.00 O ATOM 0 H ASP A 54 -13.387 -3.001 1.647 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.120 -1.857 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.519 -0.364 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.897 -2.066 0.631 1.00 0.00 H new ATOM 805 N ASN A 55 -12.525 -0.092 1.353 1.00 0.00 N ATOM 806 CA ASN A 55 -11.577 0.991 1.547 1.00 0.00 C ATOM 807 C ASN A 55 -10.315 0.766 0.725 1.00 0.00 C ATOM 808 O ASN A 55 -9.605 1.713 0.382 1.00 0.00 O ATOM 809 CB ASN A 55 -11.228 1.095 3.032 1.00 0.00 C ATOM 810 CG ASN A 55 -10.376 2.300 3.366 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.556 2.255 4.284 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.559 3.388 2.627 1.00 0.00 N ATOM 0 H ASN A 55 -12.901 -0.480 2.218 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.033 1.922 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.150 1.139 3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.702 0.191 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.010 4.228 2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.249 3.384 1.876 1.00 0.00 H new ATOM 819 N GLY A 56 -10.038 -0.496 0.417 1.00 0.00 N ATOM 820 CA GLY A 56 -8.862 -0.824 -0.354 1.00 0.00 C ATOM 821 C GLY A 56 -8.944 -0.349 -1.793 1.00 0.00 C ATOM 822 O GLY A 56 -8.150 0.487 -2.221 1.00 0.00 O ATOM 0 H GLY A 56 -10.610 -1.296 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.988 -0.379 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.716 -1.904 -0.342 1.00 0.00 H new ATOM 826 N GLU A 57 -9.896 -0.894 -2.550 1.00 0.00 N ATOM 827 CA GLU A 57 -10.062 -0.527 -3.958 1.00 0.00 C ATOM 828 C GLU A 57 -9.735 0.943 -4.217 1.00 0.00 C ATOM 829 O GLU A 57 -8.937 1.267 -5.096 1.00 0.00 O ATOM 830 CB GLU A 57 -11.487 -0.808 -4.415 1.00 0.00 C ATOM 831 CG GLU A 57 -11.846 -2.283 -4.393 1.00 0.00 C ATOM 832 CD GLU A 57 -11.438 -2.998 -5.666 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.256 -2.889 -6.055 1.00 0.00 O ATOM 834 OE2 GLU A 57 -12.299 -3.666 -6.275 1.00 0.00 O ATOM 0 H GLU A 57 -10.563 -1.589 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.359 -1.136 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.180 -0.263 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.619 -0.424 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.361 -2.759 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.921 -2.390 -4.248 1.00 0.00 H new ATOM 841 N ILE A 58 -10.358 1.829 -3.448 1.00 0.00 N ATOM 842 CA ILE A 58 -10.131 3.262 -3.596 1.00 0.00 C ATOM 843 C ILE A 58 -8.648 3.590 -3.452 1.00 0.00 C ATOM 844 O ILE A 58 -8.105 4.394 -4.212 1.00 0.00 O ATOM 845 CB ILE A 58 -10.951 4.064 -2.559 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.445 3.929 -2.850 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.546 5.537 -2.551 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.051 2.652 -2.314 1.00 0.00 C ATOM 0 H ILE A 58 -11.024 1.581 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.461 3.549 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.741 3.652 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.970 4.781 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.602 3.972 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.140 6.074 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.489 5.622 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.719 5.967 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.113 2.623 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.552 1.795 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.925 2.616 -1.232 1.00 0.00 H new ATOM 860 N LEU A 59 -8.004 2.966 -2.466 1.00 0.00 N ATOM 861 CA LEU A 59 -6.586 3.184 -2.200 1.00 0.00 C ATOM 862 C LEU A 59 -5.785 3.310 -3.491 1.00 0.00 C ATOM 863 O LEU A 59 -4.807 4.056 -3.558 1.00 0.00 O ATOM 864 CB LEU A 59 -6.033 2.037 -1.361 1.00 0.00 C ATOM 865 CG LEU A 59 -5.539 0.828 -2.157 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.089 1.010 -2.574 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.697 -0.433 -1.338 1.00 0.00 C ATOM 0 H LEU A 59 -8.449 2.300 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.490 4.121 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.209 2.415 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.809 1.705 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.143 0.741 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.761 0.137 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.998 1.900 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.467 1.123 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.342 -1.288 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.114 -0.347 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.748 -0.575 -1.088 1.00 0.00 H new ATOM 879 N ASN A 60 -6.204 2.569 -4.509 1.00 0.00 N ATOM 880 CA ASN A 60 -5.525 2.597 -5.806 1.00 0.00 C ATOM 881 C ASN A 60 -5.282 4.034 -6.278 1.00 0.00 C ATOM 882 O ASN A 60 -4.430 4.275 -7.134 1.00 0.00 O ATOM 883 CB ASN A 60 -6.338 1.833 -6.855 1.00 0.00 C ATOM 884 CG ASN A 60 -5.498 0.821 -7.608 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.603 0.196 -7.038 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.781 0.652 -8.894 1.00 0.00 N ATOM 0 H ASN A 60 -7.007 1.942 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.557 2.111 -5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.168 1.322 -6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.771 2.541 -7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.248 -0.017 -9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.531 1.191 -9.326 1.00 0.00 H new ATOM 893 N LEU A 61 -6.040 4.981 -5.727 1.00 0.00 N ATOM 894 CA LEU A 61 -5.905 6.381 -6.104 1.00 0.00 C ATOM 895 C LEU A 61 -5.450 7.238 -4.921 1.00 0.00 C ATOM 896 O LEU A 61 -6.055 8.269 -4.633 1.00 0.00 O ATOM 897 CB LEU A 61 -7.239 6.904 -6.640 1.00 0.00 C ATOM 898 CG LEU A 61 -8.032 5.907 -7.489 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.433 5.717 -6.928 1.00 0.00 C ATOM 900 CD2 LEU A 61 -8.094 6.374 -8.936 1.00 0.00 C ATOM 0 H LEU A 61 -6.752 4.801 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.144 6.449 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.857 7.211 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.049 7.796 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.520 4.945 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.979 5.005 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.368 5.337 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.957 6.673 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.661 5.654 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.582 7.347 -8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.083 6.455 -9.336 1.00 0.00 H new ATOM 912 N LEU A 62 -4.395 6.794 -4.234 1.00 0.00 N ATOM 913 CA LEU A 62 -3.857 7.508 -3.067 1.00 0.00 C ATOM 914 C LEU A 62 -4.107 9.021 -3.143 1.00 0.00 C ATOM 915 O LEU A 62 -3.328 9.764 -3.740 1.00 0.00 O ATOM 916 CB LEU A 62 -2.359 7.232 -2.930 1.00 0.00 C ATOM 917 CG LEU A 62 -2.002 5.846 -2.400 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.737 5.336 -3.069 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.838 5.868 -0.887 1.00 0.00 C ATOM 0 H LEU A 62 -3.891 5.938 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.383 7.136 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.891 7.363 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.927 7.980 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.820 5.166 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.494 4.347 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.894 5.275 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.086 6.020 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.584 4.869 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.041 6.562 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.771 6.190 -0.425 1.00 0.00 H new ATOM 931 N ASP A 63 -5.213 9.460 -2.537 1.00 0.00 N ATOM 932 CA ASP A 63 -5.588 10.875 -2.539 1.00 0.00 C ATOM 933 C ASP A 63 -5.524 11.472 -1.134 1.00 0.00 C ATOM 934 O ASP A 63 -5.510 10.750 -0.144 1.00 0.00 O ATOM 935 CB ASP A 63 -6.997 11.045 -3.114 1.00 0.00 C ATOM 936 CG ASP A 63 -7.040 12.043 -4.254 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.635 11.679 -5.378 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.483 13.188 -4.024 1.00 0.00 O ATOM 0 H ASP A 63 -5.865 8.854 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.873 11.409 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.362 10.080 -3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.672 11.372 -2.323 1.00 0.00 H new ATOM 943 N THR A 64 -5.493 12.796 -1.053 1.00 0.00 N ATOM 944 CA THR A 64 -5.435 13.465 0.241 1.00 0.00 C ATOM 945 C THR A 64 -6.783 13.387 0.947 1.00 0.00 C ATOM 946 O THR A 64 -6.857 12.971 2.099 1.00 0.00 O ATOM 947 CB THR A 64 -5.016 14.926 0.084 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.353 15.130 -1.150 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.092 15.401 1.186 1.00 0.00 C ATOM 0 H THR A 64 -5.507 13.422 -1.858 1.00 0.00 H new ATOM 0 HA THR A 64 -4.688 12.952 0.847 1.00 0.00 H new ATOM 0 HB THR A 64 -5.942 15.500 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.095 16.072 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.831 16.446 1.017 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.594 15.303 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.185 14.796 1.186 1.00 0.00 H new ATOM 957 N PRO A 65 -7.873 13.784 0.270 1.00 0.00 N ATOM 958 CA PRO A 65 -9.210 13.745 0.858 1.00 0.00 C ATOM 959 C PRO A 65 -9.794 12.334 0.902 1.00 0.00 C ATOM 960 O PRO A 65 -9.971 11.765 1.976 1.00 0.00 O ATOM 961 CB PRO A 65 -10.034 14.647 -0.058 1.00 0.00 C ATOM 962 CG PRO A 65 -9.328 14.645 -1.374 1.00 0.00 C ATOM 963 CD PRO A 65 -7.884 14.297 -1.111 1.00 0.00 C ATOM 0 HA PRO A 65 -9.203 14.072 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.053 14.274 -0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.103 15.657 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.780 13.920 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.406 15.621 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.522 13.548 -1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.240 15.170 -1.215 1.00 0.00 H new ATOM 971 N GLY A 66 -10.100 11.781 -0.271 1.00 0.00 N ATOM 972 CA GLY A 66 -10.679 10.449 -0.352 1.00 0.00 C ATOM 973 C GLY A 66 -9.981 9.441 0.537 1.00 0.00 C ATOM 974 O GLY A 66 -10.612 8.818 1.392 1.00 0.00 O ATOM 0 H GLY A 66 -9.956 12.236 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.732 10.500 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.637 10.104 -1.385 1.00 0.00 H new ATOM 978 N LEU A 67 -8.680 9.278 0.338 1.00 0.00 N ATOM 979 CA LEU A 67 -7.897 8.341 1.129 1.00 0.00 C ATOM 980 C LEU A 67 -8.038 8.641 2.617 1.00 0.00 C ATOM 981 O LEU A 67 -8.668 7.884 3.352 1.00 0.00 O ATOM 982 CB LEU A 67 -6.434 8.436 0.701 1.00 0.00 C ATOM 983 CG LEU A 67 -5.828 7.176 0.076 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.219 6.288 1.147 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.864 6.415 -0.746 1.00 0.00 C ATOM 0 H LEU A 67 -8.144 9.785 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.264 7.329 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.339 9.253 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.839 8.706 1.573 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.032 7.484 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.794 5.398 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.434 6.835 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.991 5.993 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.404 5.526 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.693 6.120 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.236 7.055 -1.546 1.00 0.00 H new ATOM 997 N LEU A 68 -7.458 9.755 3.056 1.00 0.00 N ATOM 998 CA LEU A 68 -7.523 10.144 4.466 1.00 0.00 C ATOM 999 C LEU A 68 -8.950 10.102 5.006 1.00 0.00 C ATOM 1000 O LEU A 68 -9.156 9.940 6.207 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.942 11.539 4.673 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.433 11.582 4.902 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.697 11.144 3.648 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -4.998 12.977 5.330 1.00 0.00 C ATOM 0 H LEU A 68 -6.940 10.402 2.462 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.927 9.418 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.179 12.148 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.437 11.999 5.528 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.181 10.889 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.622 11.180 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.989 10.126 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.951 11.812 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.920 12.989 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.258 13.694 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.504 13.248 6.257 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.940 10.249 4.127 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.332 10.222 4.565 1.00 0.00 C ATOM 1018 C ASP A 69 -11.800 8.786 4.749 1.00 0.00 C ATOM 1019 O ASP A 69 -12.181 8.382 5.842 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.241 10.942 3.565 1.00 0.00 C ATOM 1021 CG ASP A 69 -12.489 12.387 3.948 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -11.592 13.003 4.563 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -13.581 12.905 3.635 1.00 0.00 O ATOM 0 H ASP A 69 -9.807 10.386 3.125 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.392 10.744 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.789 10.904 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.194 10.417 3.501 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.766 8.016 3.670 1.00 0.00 N ATOM 1029 CA ALA A 70 -12.184 6.620 3.715 1.00 0.00 C ATOM 1030 C ALA A 70 -11.170 5.750 4.458 1.00 0.00 C ATOM 1031 O ALA A 70 -11.405 4.562 4.674 1.00 0.00 O ATOM 1032 CB ALA A 70 -12.408 6.094 2.306 1.00 0.00 C ATOM 0 H ALA A 70 -11.453 8.334 2.752 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.123 6.570 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.720 5.051 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.184 6.683 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.481 6.171 1.737 1.00 0.00 H new ATOM 1038 N LYS A 71 -10.044 6.343 4.848 1.00 0.00 N ATOM 1039 CA LYS A 71 -9.004 5.611 5.562 1.00 0.00 C ATOM 1040 C LYS A 71 -9.200 5.704 7.069 1.00 0.00 C ATOM 1041 O LYS A 71 -9.285 4.690 7.757 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.628 6.170 5.209 1.00 0.00 C ATOM 1043 CG LYS A 71 -7.047 5.704 3.870 1.00 0.00 C ATOM 1044 CD LYS A 71 -7.277 4.223 3.581 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.545 3.990 2.102 1.00 0.00 C ATOM 1046 NZ LYS A 71 -6.961 2.715 1.616 1.00 0.00 N ATOM 0 H LYS A 71 -9.830 7.326 4.681 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.071 4.566 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.690 7.258 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.931 5.898 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.489 6.294 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.976 5.905 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.404 3.649 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.121 3.861 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.621 3.984 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.133 4.818 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.100 2.914 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.722 2.111 2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.651 2.225 1.012 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.264 6.933 7.576 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.441 7.160 9.005 1.00 0.00 C ATOM 1062 C VAL A 72 -10.767 6.594 9.486 1.00 0.00 C ATOM 1063 O VAL A 72 -10.828 5.929 10.519 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.370 8.659 9.356 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.044 9.252 8.898 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.541 9.419 8.750 1.00 0.00 C ATOM 0 H VAL A 72 -9.196 7.784 7.018 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.624 6.645 9.510 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.434 8.757 10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.011 10.311 9.154 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.223 8.733 9.393 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.947 9.137 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.466 10.474 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.521 9.314 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.476 9.014 9.137 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.824 6.858 8.733 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.145 6.371 9.088 1.00 0.00 C ATOM 1078 C GLN A 73 -13.170 4.849 9.103 1.00 0.00 C ATOM 1079 O GLN A 73 -13.609 4.239 10.073 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.183 6.912 8.106 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.100 8.418 7.914 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.319 9.184 9.201 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -13.681 8.906 10.217 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -15.222 10.156 9.169 1.00 0.00 N ATOM 0 H GLN A 73 -11.791 7.406 7.874 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.389 6.725 10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -14.051 6.422 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.180 6.652 8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.123 8.675 7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.844 8.728 7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.728 10.353 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.410 10.706 10.007 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.688 4.237 8.023 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.658 2.783 7.926 1.00 0.00 C ATOM 1095 C GLU A 74 -11.758 2.174 8.994 1.00 0.00 C ATOM 1096 O GLU A 74 -12.121 1.191 9.638 1.00 0.00 O ATOM 1097 CB GLU A 74 -12.187 2.345 6.545 1.00 0.00 C ATOM 1098 CG GLU A 74 -12.214 0.836 6.363 1.00 0.00 C ATOM 1099 CD GLU A 74 -13.533 0.219 6.787 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -14.571 0.907 6.681 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -13.529 -0.951 7.222 1.00 0.00 O ATOM 0 H GLU A 74 -12.315 4.724 7.208 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.675 2.424 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.818 2.809 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.172 2.708 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.026 0.597 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.406 0.390 6.942 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.579 2.762 9.178 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.631 2.270 10.171 1.00 0.00 C ATOM 1110 C ALA A 75 -10.208 2.385 11.576 1.00 0.00 C ATOM 1111 O ALA A 75 -10.064 1.477 12.393 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.316 3.029 10.075 1.00 0.00 C ATOM 0 H ALA A 75 -10.259 3.577 8.654 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.441 1.217 9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.621 2.649 10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.889 2.893 9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.494 4.090 10.252 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.860 3.510 11.850 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.456 3.744 13.156 1.00 0.00 C ATOM 1120 C LEU A 76 -12.791 3.016 13.288 1.00 0.00 C ATOM 1121 O LEU A 76 -13.236 2.721 14.398 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.648 5.246 13.392 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.505 5.940 14.139 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -10.880 7.376 14.479 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.143 5.170 15.402 1.00 0.00 C ATOM 0 H LEU A 76 -10.988 4.272 11.184 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.777 3.350 13.912 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.780 5.735 12.427 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.571 5.394 13.953 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.632 5.958 13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.055 7.852 15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.086 7.926 13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.768 7.380 15.111 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.329 5.679 15.918 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.012 5.118 16.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.828 4.161 15.135 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.423 2.717 12.156 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.700 2.014 12.163 1.00 0.00 C ATOM 1139 C GLU A 77 -14.496 0.534 12.471 1.00 0.00 C ATOM 1140 O GLU A 77 -15.207 -0.042 13.293 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.411 2.172 10.816 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.890 1.820 10.864 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.770 3.037 11.075 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.229 4.111 11.410 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -19.001 2.915 10.902 1.00 0.00 O ATOM 0 H GLU A 77 -13.073 2.950 11.227 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.323 2.453 12.942 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.302 3.202 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.919 1.538 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.173 1.328 9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.064 1.106 11.669 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.520 -0.076 11.806 1.00 0.00 N ATOM 1153 CA VAL A 78 -13.225 -1.486 12.012 1.00 0.00 C ATOM 1154 C VAL A 78 -12.271 -1.675 13.187 1.00 0.00 C ATOM 1155 O VAL A 78 -12.417 -2.613 13.973 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.619 -2.131 10.745 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -11.224 -1.586 10.470 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.592 -3.645 10.881 1.00 0.00 C ATOM 0 H VAL A 78 -12.921 0.385 11.121 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.170 -1.982 12.234 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.251 -1.874 9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.820 -2.056 9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.277 -0.507 10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.575 -1.804 11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.162 -4.084 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.986 -3.922 11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.608 -4.016 11.016 1.00 0.00 H new