USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 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 Set 1.1: A 34 HIS :FLIP no HE2:sc= -24.2! C(o=-35!,f=-28!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -142:sc= -4.13! (180deg=-5.94!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.08 F(o=-3.4!,f=-1.1) USER MOD Single : A 39 ASN : amide:sc= -4.52! C(o=-4.5!,f=-7.8!) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.0936 (180deg=-0.49) USER MOD Single : A 47 THR OG1 : rot 75:sc= 0.969 USER MOD Single : A 49 MET CE :methyl -161:sc= -0.0414 (180deg=-0.393) USER MOD Single : A 53 MET CE :methyl -163:sc= -0.0207 (180deg=-0.323) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.917 F(o=-4,f=-0.92) USER MOD Single : A 60 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.451 F(o=-1.8,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.906 2.094 -0.792 1.00 0.00 N ATOM 363 CA VAL A 26 6.933 3.553 -0.732 1.00 0.00 C ATOM 364 C VAL A 26 5.578 4.111 -0.314 1.00 0.00 C ATOM 365 O VAL A 26 5.492 4.997 0.536 1.00 0.00 O ATOM 366 CB VAL A 26 7.358 4.172 -2.087 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.217 4.179 -3.098 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.896 5.580 -1.880 1.00 0.00 C ATOM 0 HA VAL A 26 7.674 3.826 0.019 1.00 0.00 H new ATOM 0 HB VAL A 26 8.149 3.545 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.562 4.622 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.887 3.156 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.386 4.764 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.191 6.002 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.122 6.203 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.762 5.545 -1.218 1.00 0.00 H new ATOM 378 N LEU A 27 4.523 3.582 -0.920 1.00 0.00 N ATOM 379 CA LEU A 27 3.164 4.019 -0.619 1.00 0.00 C ATOM 380 C LEU A 27 2.883 3.948 0.878 1.00 0.00 C ATOM 381 O LEU A 27 2.377 4.904 1.466 1.00 0.00 O ATOM 382 CB LEU A 27 2.147 3.162 -1.373 1.00 0.00 C ATOM 383 CG LEU A 27 2.197 3.279 -2.899 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.079 2.465 -3.531 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.111 4.736 -3.328 1.00 0.00 C ATOM 0 H LEU A 27 4.582 2.847 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 27 3.070 5.056 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.302 2.118 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.147 3.434 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 27 3.150 2.879 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.129 2.559 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.190 1.417 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.116 2.835 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.148 4.798 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.175 5.165 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.949 5.290 -2.904 1.00 0.00 H new ATOM 397 N GLY A 28 3.199 2.808 1.486 1.00 0.00 N ATOM 398 CA GLY A 28 2.957 2.632 2.907 1.00 0.00 C ATOM 399 C GLY A 28 3.718 3.626 3.761 1.00 0.00 C ATOM 400 O GLY A 28 3.171 4.174 4.717 1.00 0.00 O ATOM 0 H GLY A 28 3.618 2.003 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.890 2.733 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.240 1.620 3.196 1.00 0.00 H new ATOM 404 N GLU A 29 4.979 3.868 3.416 1.00 0.00 N ATOM 405 CA GLU A 29 5.800 4.815 4.168 1.00 0.00 C ATOM 406 C GLU A 29 5.165 6.200 4.142 1.00 0.00 C ATOM 407 O GLU A 29 4.909 6.798 5.187 1.00 0.00 O ATOM 408 CB GLU A 29 7.214 4.880 3.586 1.00 0.00 C ATOM 409 CG GLU A 29 8.175 3.880 4.209 1.00 0.00 C ATOM 410 CD GLU A 29 9.135 4.525 5.189 1.00 0.00 C ATOM 411 OE1 GLU A 29 8.665 5.067 6.210 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.358 4.489 4.934 1.00 0.00 O ATOM 0 H GLU A 29 5.453 3.427 2.628 1.00 0.00 H new ATOM 0 HA GLU A 29 5.862 4.471 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.164 4.703 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.609 5.886 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.605 3.105 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.744 3.388 3.420 1.00 0.00 H new ATOM 419 N ARG A 30 4.902 6.698 2.937 1.00 0.00 N ATOM 420 CA ARG A 30 4.284 8.008 2.769 1.00 0.00 C ATOM 421 C ARG A 30 2.845 7.997 3.276 1.00 0.00 C ATOM 422 O ARG A 30 2.229 9.052 3.439 1.00 0.00 O ATOM 423 CB ARG A 30 4.300 8.421 1.298 1.00 0.00 C ATOM 424 CG ARG A 30 5.698 8.526 0.708 1.00 0.00 C ATOM 425 CD ARG A 30 6.518 9.601 1.405 1.00 0.00 C ATOM 426 NE ARG A 30 7.614 10.084 0.568 1.00 0.00 N ATOM 427 CZ ARG A 30 8.502 10.998 0.959 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.426 11.529 2.172 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.467 11.380 0.134 1.00 0.00 N ATOM 0 H ARG A 30 5.107 6.214 2.063 1.00 0.00 H new ATOM 0 HA ARG A 30 4.860 8.727 3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.725 7.698 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.798 9.383 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.205 7.565 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.629 8.752 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.870 10.436 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.921 9.202 2.336 1.00 0.00 H new ATOM 0 HE ARG A 30 7.705 9.699 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.686 11.238 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.108 12.228 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.530 10.975 -0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.147 12.079 0.433 1.00 0.00 H new ATOM 443 N LEU A 31 2.312 6.802 3.519 1.00 0.00 N ATOM 444 CA LEU A 31 0.948 6.660 3.994 1.00 0.00 C ATOM 445 C LEU A 31 0.847 7.004 5.482 1.00 0.00 C ATOM 446 O LEU A 31 0.139 7.926 5.876 1.00 0.00 O ATOM 447 CB LEU A 31 0.478 5.227 3.754 1.00 0.00 C ATOM 448 CG LEU A 31 -0.766 5.082 2.876 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.434 4.342 1.592 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.877 4.369 3.635 1.00 0.00 C ATOM 0 H LEU A 31 2.809 5.920 3.393 1.00 0.00 H new ATOM 0 HA LEU A 31 0.311 7.353 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.293 4.668 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.277 4.762 4.719 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.117 6.080 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.333 4.250 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.325 4.896 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.055 3.349 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.754 4.275 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.537 3.377 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.137 4.944 4.524 1.00 0.00 H new ATOM 462 N TYR A 32 1.561 6.247 6.299 1.00 0.00 N ATOM 463 CA TYR A 32 1.554 6.452 7.743 1.00 0.00 C ATOM 464 C TYR A 32 1.867 7.908 8.106 1.00 0.00 C ATOM 465 O TYR A 32 1.356 8.424 9.093 1.00 0.00 O ATOM 466 CB TYR A 32 2.565 5.491 8.390 1.00 0.00 C ATOM 467 CG TYR A 32 2.412 5.322 9.886 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.651 6.378 10.749 1.00 0.00 C ATOM 469 CD2 TYR A 32 2.035 4.099 10.433 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.516 6.229 12.115 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.900 3.939 11.801 1.00 0.00 C ATOM 472 CZ TYR A 32 2.142 5.009 12.637 1.00 0.00 C ATOM 473 OH TYR A 32 2.004 4.860 13.998 1.00 0.00 O ATOM 0 H TYR A 32 2.157 5.480 5.987 1.00 0.00 H new ATOM 0 HA TYR A 32 0.556 6.240 8.126 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.470 4.514 7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.572 5.851 8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.948 7.335 10.347 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.845 3.261 9.779 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.703 7.065 12.772 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.607 2.984 12.211 1.00 0.00 H new ATOM 0 HH TYR A 32 1.734 3.940 14.201 1.00 0.00 H new ATOM 483 N ASN A 33 2.708 8.558 7.308 1.00 0.00 N ATOM 484 CA ASN A 33 3.091 9.951 7.560 1.00 0.00 C ATOM 485 C ASN A 33 1.959 10.927 7.284 1.00 0.00 C ATOM 486 O ASN A 33 1.810 11.925 7.986 1.00 0.00 O ATOM 487 CB ASN A 33 4.302 10.328 6.697 1.00 0.00 C ATOM 488 CG ASN A 33 4.656 11.806 6.780 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.773 12.670 6.273 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.713 12.171 7.292 1.00 0.00 N flip ATOM 0 H ASN A 33 3.140 8.146 6.481 1.00 0.00 H new ATOM 0 HA ASN A 33 3.341 10.023 8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.162 9.736 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.096 10.067 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.362 11.480 7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.940 13.164 7.340 1.00 0.00 H new ATOM 497 N HIS A 34 1.182 10.670 6.249 1.00 0.00 N ATOM 498 CA HIS A 34 0.104 11.579 5.906 1.00 0.00 C ATOM 499 C HIS A 34 -0.903 11.657 7.041 1.00 0.00 C ATOM 500 O HIS A 34 -1.463 12.715 7.319 1.00 0.00 O ATOM 501 CB HIS A 34 -0.593 11.133 4.616 1.00 0.00 C ATOM 502 CG HIS A 34 -1.385 9.870 4.745 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.349 9.528 5.620 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.204 8.776 3.936 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -2.728 8.241 5.346 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.021 7.807 4.322 1.00 0.00 N flip ATOM 0 H HIS A 34 1.273 9.856 5.641 1.00 0.00 H new ATOM 0 HA HIS A 34 0.532 12.568 5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.256 11.931 4.282 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.160 10.998 3.839 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.730 10.122 6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.506 8.715 3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.479 7.677 5.879 1.00 0.00 H new ATOM 515 N ILE A 35 -1.144 10.517 7.666 1.00 0.00 N ATOM 516 CA ILE A 35 -2.105 10.419 8.751 1.00 0.00 C ATOM 517 C ILE A 35 -1.454 10.505 10.137 1.00 0.00 C ATOM 518 O ILE A 35 -2.091 10.961 11.082 1.00 0.00 O ATOM 519 CB ILE A 35 -2.943 9.122 8.631 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.431 9.454 8.493 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.711 8.212 9.817 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.269 8.296 7.994 1.00 0.00 C ATOM 0 H ILE A 35 -0.681 9.637 7.437 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.764 11.282 8.655 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.620 8.595 7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.813 9.777 9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.545 10.295 7.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.312 7.309 9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.656 7.942 9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.997 8.728 10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.311 8.606 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.913 7.986 7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.186 7.461 8.689 1.00 0.00 H new ATOM 534 N VAL A 36 -0.207 10.053 10.279 1.00 0.00 N ATOM 535 CA VAL A 36 0.453 10.086 11.590 1.00 0.00 C ATOM 536 C VAL A 36 0.230 11.429 12.290 1.00 0.00 C ATOM 537 O VAL A 36 -0.179 11.473 13.449 1.00 0.00 O ATOM 538 CB VAL A 36 1.970 9.794 11.505 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.707 10.894 10.761 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.550 9.611 12.898 1.00 0.00 C ATOM 0 H VAL A 36 0.358 9.667 9.522 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.007 9.290 12.176 1.00 0.00 H new ATOM 0 HB VAL A 36 2.103 8.869 10.943 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.770 10.656 10.720 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.314 10.974 9.748 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.567 11.842 11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.618 9.406 12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.395 10.520 13.479 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.054 8.775 13.392 1.00 0.00 H new ATOM 550 N ALA A 37 0.488 12.518 11.573 1.00 0.00 N ATOM 551 CA ALA A 37 0.300 13.856 12.123 1.00 0.00 C ATOM 552 C ALA A 37 -1.185 14.207 12.217 1.00 0.00 C ATOM 553 O ALA A 37 -1.578 15.091 12.977 1.00 0.00 O ATOM 554 CB ALA A 37 1.027 14.881 11.267 1.00 0.00 C ATOM 0 H ALA A 37 0.827 12.501 10.611 1.00 0.00 H new ATOM 0 HA ALA A 37 0.718 13.871 13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.880 15.876 11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.092 14.649 11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.631 14.854 10.252 1.00 0.00 H new ATOM 560 N ILE A 38 -2.003 13.517 11.425 1.00 0.00 N ATOM 561 CA ILE A 38 -3.447 13.769 11.411 1.00 0.00 C ATOM 562 C ILE A 38 -4.191 12.846 12.383 1.00 0.00 C ATOM 563 O ILE A 38 -4.773 13.307 13.365 1.00 0.00 O ATOM 564 CB ILE A 38 -4.036 13.622 9.983 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.504 14.728 9.064 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.561 13.664 10.009 1.00 0.00 C ATOM 567 CD1 ILE A 38 -1.994 14.778 8.960 1.00 0.00 C ATOM 0 H ILE A 38 -1.696 12.783 10.787 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.589 14.799 11.739 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.723 12.653 9.595 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.921 14.588 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.864 15.691 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.945 13.559 8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.937 12.848 10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.892 14.616 10.425 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.702 15.588 8.291 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.567 14.951 9.948 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.625 13.831 8.566 1.00 0.00 H new ATOM 579 N ASN A 39 -4.161 11.545 12.111 1.00 0.00 N ATOM 580 CA ASN A 39 -4.827 10.565 12.966 1.00 0.00 C ATOM 581 C ASN A 39 -3.832 9.527 13.475 1.00 0.00 C ATOM 582 O ASN A 39 -3.696 8.448 12.898 1.00 0.00 O ATOM 583 CB ASN A 39 -5.961 9.870 12.207 1.00 0.00 C ATOM 584 CG ASN A 39 -7.235 10.693 12.181 1.00 0.00 C ATOM 585 OD1 ASN A 39 -7.433 11.525 11.297 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.110 10.462 13.154 1.00 0.00 N ATOM 0 H ASN A 39 -3.682 11.143 11.305 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.247 11.095 13.820 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.640 9.671 11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.166 8.905 12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.986 10.984 13.187 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.906 9.763 13.868 1.00 0.00 H new ATOM 593 N PRO A 40 -3.119 9.845 14.573 1.00 0.00 N ATOM 594 CA PRO A 40 -2.131 8.935 15.163 1.00 0.00 C ATOM 595 C PRO A 40 -2.705 7.546 15.420 1.00 0.00 C ATOM 596 O PRO A 40 -2.010 6.541 15.271 1.00 0.00 O ATOM 597 CB PRO A 40 -1.767 9.614 16.485 1.00 0.00 C ATOM 598 CG PRO A 40 -2.053 11.060 16.261 1.00 0.00 C ATOM 599 CD PRO A 40 -3.224 11.110 15.321 1.00 0.00 C ATOM 0 HA PRO A 40 -1.279 8.774 14.502 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.359 9.217 17.310 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.719 9.452 16.737 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.285 11.562 17.200 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.188 11.567 15.834 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.169 11.180 15.860 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.170 11.974 14.658 1.00 0.00 H new ATOM 607 N ALA A 41 -3.975 7.500 15.804 1.00 0.00 N ATOM 608 CA ALA A 41 -4.641 6.234 16.081 1.00 0.00 C ATOM 609 C ALA A 41 -5.346 5.706 14.836 1.00 0.00 C ATOM 610 O ALA A 41 -6.518 5.331 14.887 1.00 0.00 O ATOM 611 CB ALA A 41 -5.630 6.396 17.224 1.00 0.00 C ATOM 0 H ALA A 41 -4.563 8.324 15.930 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.884 5.507 16.375 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.120 5.442 17.419 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.101 6.722 18.119 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.379 7.140 16.954 1.00 0.00 H new ATOM 617 N ALA A 42 -4.619 5.669 13.725 1.00 0.00 N ATOM 618 CA ALA A 42 -5.164 5.176 12.470 1.00 0.00 C ATOM 619 C ALA A 42 -4.047 4.753 11.530 1.00 0.00 C ATOM 620 O ALA A 42 -4.125 3.703 10.901 1.00 0.00 O ATOM 621 CB ALA A 42 -6.046 6.226 11.813 1.00 0.00 C ATOM 0 H ALA A 42 -3.648 5.976 13.670 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.779 4.303 12.688 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.442 5.834 10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.871 6.476 12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.458 7.121 11.612 1.00 0.00 H new ATOM 627 N ALA A 43 -3.001 5.577 11.447 1.00 0.00 N ATOM 628 CA ALA A 43 -1.851 5.289 10.588 1.00 0.00 C ATOM 629 C ALA A 43 -1.487 3.810 10.627 1.00 0.00 C ATOM 630 O ALA A 43 -1.424 3.147 9.592 1.00 0.00 O ATOM 631 CB ALA A 43 -0.656 6.130 11.013 1.00 0.00 C ATOM 0 H ALA A 43 -2.927 6.452 11.966 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.125 5.543 9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.194 5.908 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.907 7.187 10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.397 5.898 12.046 1.00 0.00 H new ATOM 637 N ALA A 44 -1.245 3.300 11.828 1.00 0.00 N ATOM 638 CA ALA A 44 -0.881 1.900 12.001 1.00 0.00 C ATOM 639 C ALA A 44 -1.903 0.973 11.348 1.00 0.00 C ATOM 640 O ALA A 44 -1.550 -0.092 10.841 1.00 0.00 O ATOM 641 CB ALA A 44 -0.731 1.568 13.477 1.00 0.00 C ATOM 0 H ALA A 44 -1.294 3.834 12.695 1.00 0.00 H new ATOM 0 HA ALA A 44 0.077 1.742 11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.459 0.518 13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.048 2.193 13.913 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.675 1.754 13.990 1.00 0.00 H new ATOM 647 N LYS A 45 -3.166 1.381 11.364 1.00 0.00 N ATOM 648 CA LYS A 45 -4.235 0.582 10.774 1.00 0.00 C ATOM 649 C LYS A 45 -4.387 0.878 9.287 1.00 0.00 C ATOM 650 O LYS A 45 -4.443 -0.032 8.462 1.00 0.00 O ATOM 651 CB LYS A 45 -5.561 0.846 11.488 1.00 0.00 C ATOM 652 CG LYS A 45 -5.648 0.218 12.868 1.00 0.00 C ATOM 653 CD LYS A 45 -6.269 -1.171 12.812 1.00 0.00 C ATOM 654 CE LYS A 45 -5.234 -2.245 12.504 1.00 0.00 C ATOM 655 NZ LYS A 45 -4.219 -2.372 13.589 1.00 0.00 N ATOM 0 H LYS A 45 -3.476 2.260 11.779 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.966 -0.467 10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.706 1.922 11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.376 0.465 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.651 0.154 13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.241 0.857 13.523 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.749 -1.392 13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.049 -1.189 12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.736 -3.202 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.733 -2.007 11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.789 -3.318 13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.481 -1.651 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.678 -2.235 14.512 1.00 0.00 H new ATOM 669 N VAL A 46 -4.451 2.160 8.962 1.00 0.00 N ATOM 670 CA VAL A 46 -4.598 2.599 7.585 1.00 0.00 C ATOM 671 C VAL A 46 -3.416 2.157 6.728 1.00 0.00 C ATOM 672 O VAL A 46 -3.595 1.690 5.609 1.00 0.00 O ATOM 673 CB VAL A 46 -4.726 4.131 7.511 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.009 4.580 6.089 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.816 4.627 8.449 1.00 0.00 C ATOM 0 H VAL A 46 -4.403 2.920 9.641 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.506 2.137 7.198 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.776 4.564 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.096 5.666 6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.193 4.264 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.942 4.133 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.889 5.712 8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.770 4.181 8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.572 4.344 9.473 1.00 0.00 H new ATOM 685 N THR A 47 -2.210 2.324 7.258 1.00 0.00 N ATOM 686 CA THR A 47 -0.996 1.959 6.531 1.00 0.00 C ATOM 687 C THR A 47 -0.901 0.452 6.295 1.00 0.00 C ATOM 688 O THR A 47 -0.684 0.004 5.171 1.00 0.00 O ATOM 689 CB THR A 47 0.246 2.442 7.284 1.00 0.00 C ATOM 690 OG1 THR A 47 0.126 3.810 7.631 1.00 0.00 O ATOM 691 CG2 THR A 47 1.522 2.277 6.489 1.00 0.00 C ATOM 0 H THR A 47 -2.045 2.709 8.188 1.00 0.00 H new ATOM 0 HA THR A 47 -1.046 2.449 5.559 1.00 0.00 H new ATOM 0 HB THR A 47 0.307 1.818 8.175 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.495 3.903 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.366 2.637 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.669 1.223 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.452 2.851 5.565 1.00 0.00 H new ATOM 699 N GLY A 48 -1.038 -0.321 7.366 1.00 0.00 N ATOM 700 CA GLY A 48 -0.940 -1.767 7.260 1.00 0.00 C ATOM 701 C GLY A 48 -2.118 -2.373 6.541 1.00 0.00 C ATOM 702 O GLY A 48 -1.950 -3.155 5.603 1.00 0.00 O ATOM 0 H GLY A 48 -1.216 0.027 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.023 -2.028 6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.867 -2.197 8.259 1.00 0.00 H new ATOM 706 N MET A 49 -3.313 -2.014 6.978 1.00 0.00 N ATOM 707 CA MET A 49 -4.520 -2.531 6.363 1.00 0.00 C ATOM 708 C MET A 49 -4.682 -1.968 4.956 1.00 0.00 C ATOM 709 O MET A 49 -4.955 -2.717 4.022 1.00 0.00 O ATOM 710 CB MET A 49 -5.743 -2.183 7.213 1.00 0.00 C ATOM 711 CG MET A 49 -5.641 -2.666 8.651 1.00 0.00 C ATOM 712 SD MET A 49 -5.463 -4.456 8.776 1.00 0.00 S ATOM 713 CE MET A 49 -4.049 -4.580 9.869 1.00 0.00 C ATOM 0 H MET A 49 -3.472 -1.370 7.753 1.00 0.00 H new ATOM 0 HA MET A 49 -4.436 -3.616 6.298 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.881 -1.102 7.210 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.630 -2.619 6.754 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.788 -2.186 9.131 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.531 -2.355 9.198 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.607 -5.572 9.781 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.310 -3.828 9.594 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.369 -4.415 10.898 1.00 0.00 H new ATOM 723 N LEU A 50 -4.551 -0.637 4.837 1.00 0.00 N ATOM 724 CA LEU A 50 -4.717 0.088 3.562 1.00 0.00 C ATOM 725 C LEU A 50 -5.398 -0.752 2.483 1.00 0.00 C ATOM 726 O LEU A 50 -6.524 -0.459 2.083 1.00 0.00 O ATOM 727 CB LEU A 50 -3.367 0.590 3.037 1.00 0.00 C ATOM 728 CG LEU A 50 -3.428 1.307 1.685 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.988 2.719 1.838 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.046 1.342 1.044 1.00 0.00 C ATOM 0 H LEU A 50 -4.326 -0.029 5.624 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.367 0.935 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.937 1.269 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.688 -0.259 2.952 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.101 0.750 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.020 3.205 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.995 2.668 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.349 3.293 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.103 1.854 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.355 1.874 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.690 0.323 0.891 1.00 0.00 H new ATOM 742 N LEU A 51 -4.719 -1.796 2.017 1.00 0.00 N ATOM 743 CA LEU A 51 -5.272 -2.663 0.988 1.00 0.00 C ATOM 744 C LEU A 51 -6.382 -3.539 1.549 1.00 0.00 C ATOM 745 O LEU A 51 -6.230 -4.756 1.666 1.00 0.00 O ATOM 746 CB LEU A 51 -4.166 -3.529 0.377 1.00 0.00 C ATOM 747 CG LEU A 51 -3.121 -2.759 -0.440 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.724 -2.974 0.124 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.179 -3.164 -1.908 1.00 0.00 C ATOM 0 H LEU A 51 -3.787 -2.060 2.336 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.701 -2.035 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.657 -4.063 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.626 -4.281 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.353 -1.696 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.001 -2.418 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.690 -2.623 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.479 -4.036 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.430 -2.606 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.980 -4.232 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.169 -2.944 -2.307 1.00 0.00 H new ATOM 761 N GLU A 52 -7.503 -2.912 1.889 1.00 0.00 N ATOM 762 CA GLU A 52 -8.648 -3.630 2.427 1.00 0.00 C ATOM 763 C GLU A 52 -9.651 -3.920 1.318 1.00 0.00 C ATOM 764 O GLU A 52 -9.385 -3.661 0.145 1.00 0.00 O ATOM 765 CB GLU A 52 -9.319 -2.812 3.533 1.00 0.00 C ATOM 766 CG GLU A 52 -8.441 -2.593 4.753 1.00 0.00 C ATOM 767 CD GLU A 52 -8.499 -3.758 5.721 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.426 -3.786 6.557 1.00 0.00 O ATOM 769 OE2 GLU A 52 -7.619 -4.641 5.640 1.00 0.00 O ATOM 0 H GLU A 52 -7.641 -1.905 1.800 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.299 -4.572 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.611 -1.843 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.234 -3.318 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.410 -2.440 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.754 -1.683 5.264 1.00 0.00 H new ATOM 776 N MET A 53 -10.803 -4.463 1.689 1.00 0.00 N ATOM 777 CA MET A 53 -11.832 -4.784 0.711 1.00 0.00 C ATOM 778 C MET A 53 -12.391 -3.518 0.066 1.00 0.00 C ATOM 779 O MET A 53 -12.277 -3.329 -1.145 1.00 0.00 O ATOM 780 CB MET A 53 -12.959 -5.578 1.373 1.00 0.00 C ATOM 781 CG MET A 53 -12.492 -6.889 1.986 1.00 0.00 C ATOM 782 SD MET A 53 -11.972 -8.087 0.745 1.00 0.00 S ATOM 783 CE MET A 53 -13.550 -8.532 0.026 1.00 0.00 C ATOM 0 H MET A 53 -11.047 -4.689 2.653 1.00 0.00 H new ATOM 0 HA MET A 53 -11.378 -5.392 -0.071 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.418 -4.965 2.149 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.731 -5.786 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.663 -6.693 2.666 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.299 -7.315 2.582 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.446 -9.462 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.286 -8.665 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.880 -7.740 -0.646 1.00 0.00 H new ATOM 793 N ASP A 54 -12.981 -2.644 0.877 1.00 0.00 N ATOM 794 CA ASP A 54 -13.543 -1.401 0.366 1.00 0.00 C ATOM 795 C ASP A 54 -12.492 -0.293 0.340 1.00 0.00 C ATOM 796 O ASP A 54 -12.025 0.100 -0.730 1.00 0.00 O ATOM 797 CB ASP A 54 -14.760 -0.974 1.183 1.00 0.00 C ATOM 798 CG ASP A 54 -14.529 -1.023 2.682 1.00 0.00 C ATOM 799 OD1 ASP A 54 -13.987 -2.037 3.166 1.00 0.00 O ATOM 800 OD2 ASP A 54 -14.887 -0.043 3.368 1.00 0.00 O ATOM 0 H ASP A 54 -13.081 -2.774 1.884 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.869 -1.580 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.041 0.040 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.601 -1.620 0.932 1.00 0.00 H new ATOM 805 N ASN A 55 -12.125 0.213 1.517 1.00 0.00 N ATOM 806 CA ASN A 55 -11.128 1.275 1.618 1.00 0.00 C ATOM 807 C ASN A 55 -9.909 0.965 0.757 1.00 0.00 C ATOM 808 O ASN A 55 -9.218 1.873 0.296 1.00 0.00 O ATOM 809 CB ASN A 55 -10.705 1.468 3.078 1.00 0.00 C ATOM 810 CG ASN A 55 -9.525 2.413 3.236 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.458 3.436 2.389 1.00 0.00 O flip ATOM 812 ND2 ASN A 55 -8.680 2.224 4.110 1.00 0.00 N flip ATOM 0 H ASN A 55 -12.503 -0.096 2.412 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.579 2.198 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.551 1.854 3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.447 0.500 3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.768 1.427 4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.892 2.864 4.204 1.00 0.00 H new ATOM 819 N GLY A 56 -9.648 -0.321 0.546 1.00 0.00 N ATOM 820 CA GLY A 56 -8.512 -0.714 -0.255 1.00 0.00 C ATOM 821 C GLY A 56 -8.637 -0.268 -1.699 1.00 0.00 C ATOM 822 O GLY A 56 -7.848 0.553 -2.166 1.00 0.00 O ATOM 0 H GLY A 56 -10.203 -1.093 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.604 -0.291 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.405 -1.798 -0.221 1.00 0.00 H new ATOM 826 N GLU A 57 -9.618 -0.821 -2.414 1.00 0.00 N ATOM 827 CA GLU A 57 -9.825 -0.478 -3.827 1.00 0.00 C ATOM 828 C GLU A 57 -9.472 0.978 -4.124 1.00 0.00 C ATOM 829 O GLU A 57 -8.660 1.265 -5.001 1.00 0.00 O ATOM 830 CB GLU A 57 -11.274 -0.722 -4.233 1.00 0.00 C ATOM 831 CG GLU A 57 -11.794 -2.106 -3.882 1.00 0.00 C ATOM 832 CD GLU A 57 -11.018 -3.220 -4.557 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.513 -3.001 -5.680 1.00 0.00 O ATOM 834 OE2 GLU A 57 -10.914 -4.312 -3.962 1.00 0.00 O ATOM 0 H GLU A 57 -10.279 -1.504 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.160 -1.121 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.905 0.024 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.368 -0.573 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.748 -2.242 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.843 -2.177 -4.168 1.00 0.00 H new ATOM 841 N ILE A 58 -10.093 1.893 -3.385 1.00 0.00 N ATOM 842 CA ILE A 58 -9.849 3.320 -3.572 1.00 0.00 C ATOM 843 C ILE A 58 -8.360 3.639 -3.486 1.00 0.00 C ATOM 844 O ILE A 58 -7.830 4.379 -4.313 1.00 0.00 O ATOM 845 CB ILE A 58 -10.619 4.156 -2.532 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.124 3.902 -2.667 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.308 5.637 -2.693 1.00 0.00 C ATOM 848 CD1 ILE A 58 -12.965 4.696 -1.690 1.00 0.00 C ATOM 0 H ILE A 58 -10.768 1.672 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.207 3.582 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.300 3.852 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.435 4.146 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.319 2.840 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.863 6.208 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.239 5.802 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.599 5.963 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.019 4.464 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.682 4.435 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.800 5.761 -1.850 1.00 0.00 H new ATOM 860 N LEU A 59 -7.697 3.083 -2.475 1.00 0.00 N ATOM 861 CA LEU A 59 -6.269 3.301 -2.264 1.00 0.00 C ATOM 862 C LEU A 59 -5.514 3.385 -3.582 1.00 0.00 C ATOM 863 O LEU A 59 -4.578 4.170 -3.726 1.00 0.00 O ATOM 864 CB LEU A 59 -5.696 2.169 -1.413 1.00 0.00 C ATOM 865 CG LEU A 59 -5.239 0.928 -2.192 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.808 1.089 -2.688 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.346 -0.302 -1.317 1.00 0.00 C ATOM 0 H LEU A 59 -8.131 2.472 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.147 4.253 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.848 2.555 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.450 1.865 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.890 0.812 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.510 0.195 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.746 1.956 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.142 1.231 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.020 -1.177 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.714 -0.179 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.381 -0.437 -1.004 1.00 0.00 H new ATOM 879 N ASN A 60 -5.927 2.566 -4.542 1.00 0.00 N ATOM 880 CA ASN A 60 -5.289 2.539 -5.854 1.00 0.00 C ATOM 881 C ASN A 60 -5.069 3.952 -6.393 1.00 0.00 C ATOM 882 O ASN A 60 -4.165 4.187 -7.195 1.00 0.00 O ATOM 883 CB ASN A 60 -6.136 1.730 -6.835 1.00 0.00 C ATOM 884 CG ASN A 60 -5.300 0.791 -7.681 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.202 0.399 -7.292 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.819 0.426 -8.848 1.00 0.00 N ATOM 0 H ASN A 60 -6.702 1.911 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.314 2.063 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.877 1.154 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.683 2.411 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.302 -0.204 -9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.734 0.776 -9.131 1.00 0.00 H new ATOM 893 N LEU A 61 -5.905 4.887 -5.950 1.00 0.00 N ATOM 894 CA LEU A 61 -5.809 6.274 -6.388 1.00 0.00 C ATOM 895 C LEU A 61 -5.458 7.199 -5.224 1.00 0.00 C ATOM 896 O LEU A 61 -6.119 8.216 -5.016 1.00 0.00 O ATOM 897 CB LEU A 61 -7.138 6.713 -7.010 1.00 0.00 C ATOM 898 CG LEU A 61 -7.871 5.630 -7.813 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.267 5.393 -7.250 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.941 6.010 -9.289 1.00 0.00 C ATOM 0 H LEU A 61 -6.658 4.707 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.013 6.341 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.796 7.061 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.951 7.564 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.308 4.701 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.769 4.622 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.191 5.070 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.842 6.318 -7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.464 5.229 -9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.477 6.953 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.931 6.120 -9.685 1.00 0.00 H new ATOM 912 N LEU A 62 -4.425 6.831 -4.457 1.00 0.00 N ATOM 913 CA LEU A 62 -3.986 7.615 -3.294 1.00 0.00 C ATOM 914 C LEU A 62 -4.292 9.105 -3.449 1.00 0.00 C ATOM 915 O LEU A 62 -3.516 9.855 -4.041 1.00 0.00 O ATOM 916 CB LEU A 62 -2.488 7.420 -3.066 1.00 0.00 C ATOM 917 CG LEU A 62 -2.086 6.014 -2.639 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.729 5.652 -3.217 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.077 5.896 -1.121 1.00 0.00 C ATOM 0 H LEU A 62 -3.873 5.989 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.545 7.251 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.959 7.671 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.156 8.125 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.822 5.311 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.457 4.645 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.775 5.693 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.019 6.359 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.787 4.884 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.364 6.608 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.073 6.111 -0.733 1.00 0.00 H new ATOM 931 N ASP A 63 -5.439 9.516 -2.912 1.00 0.00 N ATOM 932 CA ASP A 63 -5.872 10.908 -2.986 1.00 0.00 C ATOM 933 C ASP A 63 -5.866 11.566 -1.609 1.00 0.00 C ATOM 934 O ASP A 63 -5.822 10.886 -0.588 1.00 0.00 O ATOM 935 CB ASP A 63 -7.270 10.987 -3.601 1.00 0.00 C ATOM 936 CG ASP A 63 -7.268 11.670 -4.956 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.292 12.918 -4.991 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.242 10.956 -5.979 1.00 0.00 O ATOM 0 H ASP A 63 -6.087 8.901 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.168 11.449 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.676 9.981 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.931 11.529 -2.925 1.00 0.00 H new ATOM 943 N THR A 64 -5.920 12.893 -1.585 1.00 0.00 N ATOM 944 CA THR A 64 -5.923 13.621 -0.324 1.00 0.00 C ATOM 945 C THR A 64 -7.272 13.490 0.373 1.00 0.00 C ATOM 946 O THR A 64 -7.328 13.137 1.544 1.00 0.00 O ATOM 947 CB THR A 64 -5.585 15.100 -0.541 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.323 15.242 -1.169 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.550 15.896 0.745 1.00 0.00 C ATOM 0 H THR A 64 -5.962 13.481 -2.417 1.00 0.00 H new ATOM 0 HA THR A 64 -5.156 13.182 0.313 1.00 0.00 H new ATOM 0 HB THR A 64 -6.383 15.490 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.128 16.193 -1.300 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.305 16.935 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.525 15.848 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.794 15.479 1.410 1.00 0.00 H new ATOM 957 N PRO A 65 -8.383 13.769 -0.330 1.00 0.00 N ATOM 958 CA PRO A 65 -9.714 13.664 0.260 1.00 0.00 C ATOM 959 C PRO A 65 -10.196 12.219 0.373 1.00 0.00 C ATOM 960 O PRO A 65 -10.370 11.699 1.473 1.00 0.00 O ATOM 961 CB PRO A 65 -10.599 14.459 -0.697 1.00 0.00 C ATOM 962 CG PRO A 65 -9.897 14.424 -2.015 1.00 0.00 C ATOM 963 CD PRO A 65 -8.429 14.202 -1.739 1.00 0.00 C ATOM 0 HA PRO A 65 -9.732 14.042 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.593 14.017 -0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.730 15.484 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.295 13.625 -2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.049 15.358 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.010 13.445 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.853 15.114 -1.893 1.00 0.00 H new ATOM 971 N GLY A 66 -10.429 11.583 -0.776 1.00 0.00 N ATOM 972 CA GLY A 66 -10.911 10.212 -0.797 1.00 0.00 C ATOM 973 C GLY A 66 -10.168 9.305 0.159 1.00 0.00 C ATOM 974 O GLY A 66 -10.769 8.706 1.052 1.00 0.00 O ATOM 0 H GLY A 66 -10.291 11.998 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.972 10.203 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.819 9.817 -1.809 1.00 0.00 H new ATOM 978 N LEU A 67 -8.861 9.197 -0.028 1.00 0.00 N ATOM 979 CA LEU A 67 -8.040 8.355 0.822 1.00 0.00 C ATOM 980 C LEU A 67 -8.192 8.751 2.291 1.00 0.00 C ATOM 981 O LEU A 67 -8.779 8.010 3.079 1.00 0.00 O ATOM 982 CB LEU A 67 -6.582 8.471 0.373 1.00 0.00 C ATOM 983 CG LEU A 67 -5.927 7.173 -0.115 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.500 6.299 1.051 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.868 6.416 -1.040 1.00 0.00 C ATOM 0 H LEU A 67 -8.348 9.684 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.366 7.319 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.526 9.207 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.996 8.861 1.205 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.031 7.439 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.039 5.387 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.781 6.840 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.372 6.042 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.387 5.498 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.785 6.170 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.108 7.037 -1.903 1.00 0.00 H new ATOM 997 N LEU A 68 -7.658 9.922 2.656 1.00 0.00 N ATOM 998 CA LEU A 68 -7.728 10.406 4.041 1.00 0.00 C ATOM 999 C LEU A 68 -9.103 10.155 4.665 1.00 0.00 C ATOM 1000 O LEU A 68 -9.213 9.952 5.874 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.392 11.900 4.111 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.018 12.237 4.704 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.902 11.810 3.760 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.918 13.727 5.007 1.00 0.00 C ATOM 0 H LEU A 68 -7.174 10.551 2.015 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.990 9.844 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.447 12.315 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.158 12.400 4.704 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.906 11.685 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.937 12.059 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.958 10.734 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.011 12.331 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.937 13.948 5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.055 14.295 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.690 14.005 5.724 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.141 10.160 3.834 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.498 9.924 4.315 1.00 0.00 C ATOM 1018 C ASP A 69 -11.719 8.440 4.585 1.00 0.00 C ATOM 1019 O ASP A 69 -12.020 8.041 5.707 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.524 10.426 3.295 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.327 11.601 3.816 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -12.742 12.690 3.989 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.542 11.431 4.047 1.00 0.00 O ATOM 0 H ASP A 69 -10.069 10.324 2.830 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.629 10.475 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.010 10.718 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.202 9.613 3.035 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.562 7.627 3.549 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.745 6.187 3.680 1.00 0.00 C ATOM 1030 C ALA A 70 -10.624 5.546 4.499 1.00 0.00 C ATOM 1031 O ALA A 70 -10.669 4.352 4.788 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.833 5.541 2.305 1.00 0.00 C ATOM 0 H ALA A 70 -11.309 7.938 2.611 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.680 6.019 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.970 4.465 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.679 5.960 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.914 5.735 1.753 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.622 6.338 4.879 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.508 5.829 5.667 1.00 0.00 C ATOM 1040 C LYS A 71 -8.883 5.724 7.141 1.00 0.00 C ATOM 1041 O LYS A 71 -8.778 4.658 7.744 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.295 6.746 5.512 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.490 6.487 4.249 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.130 7.174 4.299 1.00 0.00 C ATOM 1045 CE LYS A 71 -5.140 8.508 3.569 1.00 0.00 C ATOM 1046 NZ LYS A 71 -4.007 8.646 2.607 1.00 0.00 N ATOM 0 H LYS A 71 -9.562 7.331 4.653 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.262 4.833 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.632 7.783 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.645 6.623 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.351 5.414 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.047 6.844 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.841 7.331 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.378 6.523 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.082 8.617 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.093 9.317 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.653 9.624 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.242 7.996 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.336 8.415 1.648 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.327 6.837 7.714 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.716 6.867 9.116 1.00 0.00 C ATOM 1062 C VAL A 72 -11.088 6.242 9.318 1.00 0.00 C ATOM 1063 O VAL A 72 -11.293 5.462 10.246 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.727 8.303 9.677 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.307 8.823 9.832 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.548 9.226 8.786 1.00 0.00 C ATOM 0 H VAL A 72 -9.426 7.729 7.229 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.970 6.286 9.658 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.195 8.284 10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.332 9.838 10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.756 8.179 10.518 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.812 8.826 8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.541 10.234 9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.117 9.244 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.574 8.862 8.733 1.00 0.00 H new ATOM 1076 N GLN A 73 -12.030 6.591 8.449 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.381 6.062 8.542 1.00 0.00 C ATOM 1078 C GLN A 73 -13.379 4.539 8.539 1.00 0.00 C ATOM 1079 O GLN A 73 -13.909 3.913 9.453 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.230 6.585 7.386 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.365 8.100 7.375 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.884 8.663 8.690 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -15.636 7.860 9.439 1.00 0.00 O flip ATOM 1084 NE2 GLN A 73 -14.611 9.816 9.027 1.00 0.00 N flip ATOM 0 H GLN A 73 -11.881 7.237 7.674 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.810 6.399 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.788 6.260 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.223 6.139 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.394 8.544 7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.039 8.393 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.031 10.400 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.965 10.187 9.909 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.776 3.949 7.510 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.706 2.495 7.395 1.00 0.00 C ATOM 1095 C GLU A 74 -11.855 1.898 8.509 1.00 0.00 C ATOM 1096 O GLU A 74 -12.236 0.908 9.133 1.00 0.00 O ATOM 1097 CB GLU A 74 -12.131 2.098 6.033 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.960 0.597 5.853 1.00 0.00 C ATOM 1099 CD GLU A 74 -10.591 0.112 6.286 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -9.603 0.423 5.588 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -10.505 -0.580 7.322 1.00 0.00 O ATOM 0 H GLU A 74 -12.329 4.455 6.745 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.718 2.101 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.786 2.476 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.164 2.583 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.725 0.076 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.118 0.340 4.806 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.700 2.508 8.753 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.792 2.039 9.792 1.00 0.00 C ATOM 1110 C ALA A 75 -10.485 1.993 11.148 1.00 0.00 C ATOM 1111 O ALA A 75 -10.426 0.985 11.853 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.563 2.933 9.856 1.00 0.00 C ATOM 0 H ALA A 75 -10.371 3.329 8.245 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.481 1.025 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.892 2.573 10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.048 2.913 8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.868 3.955 10.083 1.00 0.00 H new ATOM 1118 N LEU A 76 -11.140 3.092 11.507 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.844 3.177 12.781 1.00 0.00 C ATOM 1120 C LEU A 76 -13.131 2.352 12.755 1.00 0.00 C ATOM 1121 O LEU A 76 -13.628 1.937 13.801 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.159 4.637 13.120 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.089 5.355 13.944 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.556 6.753 14.326 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.743 4.551 15.190 1.00 0.00 C ATOM 0 H LEU A 76 -11.198 3.934 10.935 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.193 2.767 13.553 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.309 5.186 12.190 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.101 4.672 13.667 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.191 5.446 13.333 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.781 7.248 14.912 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.753 7.330 13.423 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.469 6.683 14.917 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.980 5.078 15.763 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.636 4.427 15.803 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.365 3.571 14.898 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.661 2.114 11.558 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.884 1.333 11.412 1.00 0.00 C ATOM 1139 C GLU A 77 -14.618 -0.136 11.713 1.00 0.00 C ATOM 1140 O GLU A 77 -15.283 -0.740 12.554 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.450 1.477 9.997 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.929 1.832 9.964 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.732 0.894 9.083 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.466 0.855 7.863 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.626 0.202 9.612 1.00 0.00 O ATOM 0 H GLU A 77 -13.265 2.449 10.680 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.616 1.714 12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.889 2.247 9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.297 0.542 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.329 1.804 10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.046 2.854 9.603 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.643 -0.706 11.014 1.00 0.00 N ATOM 1153 CA VAL A 78 -13.290 -2.104 11.206 1.00 0.00 C ATOM 1154 C VAL A 78 -12.382 -2.283 12.416 1.00 0.00 C ATOM 1155 O VAL A 78 -12.594 -3.177 13.234 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.600 -2.692 9.958 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -11.237 -2.055 9.733 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.472 -4.202 10.087 1.00 0.00 C ATOM 0 H VAL A 78 -13.085 -0.221 10.311 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.222 -2.642 11.377 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.220 -2.468 9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.774 -2.489 8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.356 -0.981 9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.602 -2.238 10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.983 -4.603 9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.878 -4.443 10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.463 -4.644 10.186 1.00 0.00 H new