USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 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 : no HE2:sc= -27.2! C(o=-31!,f=-30!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -115:sc= -4.04! (180deg=-4.18!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.31! K(o=-2.3!,f=-0.83) USER MOD Single : A 39 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -0.177 (180deg=-1.2!) USER MOD Single : A 47 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -147:sc= -0.197 (180deg=-0.919) USER MOD Single : A 55 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.9!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00728 USER MOD Single : A 73 GLN : amide:sc= -1.9! C(o=-1.9!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 7.025 2.286 -0.902 1.00 0.00 N ATOM 363 CA VAL A 26 6.991 3.708 -0.569 1.00 0.00 C ATOM 364 C VAL A 26 5.609 4.109 -0.068 1.00 0.00 C ATOM 365 O VAL A 26 5.478 4.909 0.859 1.00 0.00 O ATOM 366 CB VAL A 26 7.387 4.589 -1.780 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.185 4.922 -2.660 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.075 5.863 -1.312 1.00 0.00 C ATOM 0 HA VAL A 26 7.722 3.873 0.223 1.00 0.00 H new ATOM 0 HB VAL A 26 8.086 4.013 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.507 5.541 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.745 4.000 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.443 5.463 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.346 6.469 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.398 6.428 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.975 5.606 -0.753 1.00 0.00 H new ATOM 378 N LEU A 27 4.583 3.544 -0.695 1.00 0.00 N ATOM 379 CA LEU A 27 3.202 3.835 -0.329 1.00 0.00 C ATOM 380 C LEU A 27 3.018 3.781 1.185 1.00 0.00 C ATOM 381 O LEU A 27 2.542 4.740 1.786 1.00 0.00 O ATOM 382 CB LEU A 27 2.256 2.840 -1.010 1.00 0.00 C ATOM 383 CG LEU A 27 1.297 3.453 -2.032 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.571 2.904 -3.426 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.150 3.197 -1.635 1.00 0.00 C ATOM 0 H LEU A 27 4.683 2.879 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 27 2.963 4.843 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.854 2.077 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.670 2.335 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 27 1.464 4.530 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.878 3.353 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.594 3.143 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.438 1.822 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.815 3.642 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.329 2.123 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.344 3.643 -0.659 1.00 0.00 H new ATOM 397 N GLY A 28 3.398 2.658 1.786 1.00 0.00 N ATOM 398 CA GLY A 28 3.255 2.496 3.223 1.00 0.00 C ATOM 399 C GLY A 28 4.038 3.520 4.012 1.00 0.00 C ATOM 400 O GLY A 28 3.537 4.065 4.996 1.00 0.00 O ATOM 0 H GLY A 28 3.803 1.856 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.200 2.569 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.586 1.497 3.505 1.00 0.00 H new ATOM 404 N GLU A 29 5.265 3.798 3.588 1.00 0.00 N ATOM 405 CA GLU A 29 6.089 4.779 4.278 1.00 0.00 C ATOM 406 C GLU A 29 5.426 6.150 4.217 1.00 0.00 C ATOM 407 O GLU A 29 5.184 6.783 5.243 1.00 0.00 O ATOM 408 CB GLU A 29 7.487 4.837 3.660 1.00 0.00 C ATOM 409 CG GLU A 29 8.408 3.726 4.136 1.00 0.00 C ATOM 410 CD GLU A 29 8.723 3.823 5.618 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.445 4.763 6.010 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.248 2.958 6.383 1.00 0.00 O ATOM 0 H GLU A 29 5.707 3.363 2.778 1.00 0.00 H new ATOM 0 HA GLU A 29 6.188 4.480 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.398 4.784 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.940 5.800 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.944 2.761 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.337 3.761 3.568 1.00 0.00 H new ATOM 419 N ARG A 30 5.124 6.596 2.999 1.00 0.00 N ATOM 420 CA ARG A 30 4.475 7.884 2.796 1.00 0.00 C ATOM 421 C ARG A 30 3.023 7.853 3.276 1.00 0.00 C ATOM 422 O ARG A 30 2.385 8.899 3.411 1.00 0.00 O ATOM 423 CB ARG A 30 4.521 8.275 1.313 1.00 0.00 C ATOM 424 CG ARG A 30 5.873 8.036 0.657 1.00 0.00 C ATOM 425 CD ARG A 30 6.110 8.988 -0.505 1.00 0.00 C ATOM 426 NE ARG A 30 5.444 8.543 -1.731 1.00 0.00 N ATOM 427 CZ ARG A 30 4.223 8.925 -2.102 1.00 0.00 C ATOM 428 NH1 ARG A 30 3.516 9.764 -1.353 1.00 0.00 N ATOM 429 NH2 ARG A 30 3.706 8.468 -3.235 1.00 0.00 N ATOM 0 H ARG A 30 5.319 6.082 2.140 1.00 0.00 H new ATOM 0 HA ARG A 30 5.016 8.626 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.761 7.709 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.262 9.329 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.664 8.161 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.928 7.007 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.749 9.981 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.181 9.076 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 30 5.948 7.899 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.907 10.124 -0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.582 10.049 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.243 7.827 -3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.771 8.758 -3.523 1.00 0.00 H new ATOM 443 N LEU A 31 2.501 6.651 3.529 1.00 0.00 N ATOM 444 CA LEU A 31 1.125 6.495 3.988 1.00 0.00 C ATOM 445 C LEU A 31 0.983 6.876 5.458 1.00 0.00 C ATOM 446 O LEU A 31 0.246 7.796 5.812 1.00 0.00 O ATOM 447 CB LEU A 31 0.677 5.042 3.800 1.00 0.00 C ATOM 448 CG LEU A 31 -0.618 4.854 3.011 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.353 4.128 1.700 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.649 4.102 3.849 1.00 0.00 C ATOM 0 H LEU A 31 3.012 5.775 3.423 1.00 0.00 H new ATOM 0 HA LEU A 31 0.497 7.161 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.474 4.496 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.553 4.587 4.783 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.021 5.839 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.290 4.006 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.344 4.709 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.077 3.148 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.565 3.977 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.254 3.123 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.865 4.669 4.755 1.00 0.00 H new ATOM 462 N TYR A 32 1.686 6.147 6.311 1.00 0.00 N ATOM 463 CA TYR A 32 1.643 6.379 7.749 1.00 0.00 C ATOM 464 C TYR A 32 1.875 7.852 8.078 1.00 0.00 C ATOM 465 O TYR A 32 1.359 8.360 9.068 1.00 0.00 O ATOM 466 CB TYR A 32 2.705 5.504 8.426 1.00 0.00 C ATOM 467 CG TYR A 32 2.650 5.477 9.939 1.00 0.00 C ATOM 468 CD1 TYR A 32 3.230 6.486 10.696 1.00 0.00 C ATOM 469 CD2 TYR A 32 2.039 4.424 10.611 1.00 0.00 C ATOM 470 CE1 TYR A 32 3.197 6.451 12.079 1.00 0.00 C ATOM 471 CE2 TYR A 32 2.000 4.384 11.994 1.00 0.00 C ATOM 472 CZ TYR A 32 2.582 5.400 12.723 1.00 0.00 C ATOM 473 OH TYR A 32 2.548 5.363 14.098 1.00 0.00 O ATOM 0 H TYR A 32 2.299 5.382 6.030 1.00 0.00 H new ATOM 0 HA TYR A 32 0.654 6.113 8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.601 4.484 8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.691 5.855 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.715 7.312 10.197 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.587 3.624 10.044 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.652 7.245 12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.516 3.561 12.500 1.00 0.00 H new ATOM 0 HH TYR A 32 2.076 4.556 14.392 1.00 0.00 H new ATOM 483 N ASN A 33 2.658 8.524 7.246 1.00 0.00 N ATOM 484 CA ASN A 33 2.975 9.935 7.446 1.00 0.00 C ATOM 485 C ASN A 33 1.779 10.840 7.193 1.00 0.00 C ATOM 486 O ASN A 33 1.583 11.836 7.890 1.00 0.00 O ATOM 487 CB ASN A 33 4.135 10.331 6.526 1.00 0.00 C ATOM 488 CG ASN A 33 4.292 11.835 6.358 1.00 0.00 C ATOM 489 OD1 ASN A 33 5.240 12.431 6.871 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.364 12.459 5.632 1.00 0.00 N ATOM 0 H ASN A 33 3.090 8.112 6.419 1.00 0.00 H new ATOM 0 HA ASN A 33 3.260 10.066 8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.062 9.920 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.982 9.878 5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.424 13.467 5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.594 11.929 5.224 1.00 0.00 H new ATOM 497 N HIS A 34 0.990 10.516 6.184 1.00 0.00 N ATOM 498 CA HIS A 34 -0.160 11.338 5.857 1.00 0.00 C ATOM 499 C HIS A 34 -1.150 11.361 7.012 1.00 0.00 C ATOM 500 O HIS A 34 -1.758 12.387 7.297 1.00 0.00 O ATOM 501 CB HIS A 34 -0.849 10.835 4.588 1.00 0.00 C ATOM 502 CG HIS A 34 -1.562 9.535 4.755 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.312 8.422 3.993 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.514 9.179 5.635 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.084 7.433 4.409 1.00 0.00 C ATOM 506 NE2 HIS A 34 -2.820 7.869 5.409 1.00 0.00 N ATOM 0 H HIS A 34 1.122 9.701 5.585 1.00 0.00 H new ATOM 0 HA HIS A 34 0.196 12.353 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.562 11.588 4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.103 10.729 3.800 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.639 8.367 3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.957 9.816 6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.107 6.435 3.997 1.00 0.00 H new ATOM 515 N ILE A 35 -1.326 10.212 7.646 1.00 0.00 N ATOM 516 CA ILE A 35 -2.270 10.084 8.751 1.00 0.00 C ATOM 517 C ILE A 35 -1.613 10.219 10.125 1.00 0.00 C ATOM 518 O ILE A 35 -2.244 10.702 11.059 1.00 0.00 O ATOM 519 CB ILE A 35 -3.067 8.752 8.676 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.566 9.029 8.805 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.624 7.756 9.738 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.273 9.122 7.472 1.00 0.00 C ATOM 0 H ILE A 35 -0.828 9.352 7.416 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.961 10.919 8.637 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.861 8.303 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.025 8.238 9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.711 9.961 9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.209 6.841 9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.567 7.526 9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.778 8.187 10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.332 9.320 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.839 9.932 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.158 8.182 6.933 1.00 0.00 H new ATOM 534 N VAL A 36 -0.367 9.770 10.268 1.00 0.00 N ATOM 535 CA VAL A 36 0.302 9.839 11.568 1.00 0.00 C ATOM 536 C VAL A 36 0.047 11.184 12.245 1.00 0.00 C ATOM 537 O VAL A 36 -0.320 11.244 13.419 1.00 0.00 O ATOM 538 CB VAL A 36 1.828 9.601 11.465 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.499 10.675 10.628 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.449 9.533 12.851 1.00 0.00 C ATOM 0 H VAL A 36 0.191 9.363 9.518 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.125 9.037 12.171 1.00 0.00 H new ATOM 0 HB VAL A 36 1.986 8.645 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.570 10.479 10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.079 10.668 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.331 11.650 11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.522 9.365 12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.271 10.472 13.376 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.999 8.713 13.411 1.00 0.00 H new ATOM 550 N ALA A 37 0.240 12.259 11.490 1.00 0.00 N ATOM 551 CA ALA A 37 0.027 13.605 12.002 1.00 0.00 C ATOM 552 C ALA A 37 -1.460 13.923 12.078 1.00 0.00 C ATOM 553 O ALA A 37 -1.888 14.749 12.885 1.00 0.00 O ATOM 554 CB ALA A 37 0.739 14.619 11.119 1.00 0.00 C ATOM 0 H ALA A 37 0.545 12.223 10.517 1.00 0.00 H new ATOM 0 HA ALA A 37 0.441 13.661 13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.573 15.623 11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.808 14.405 11.109 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.347 14.556 10.104 1.00 0.00 H new ATOM 560 N ILE A 38 -2.248 13.273 11.226 1.00 0.00 N ATOM 561 CA ILE A 38 -3.692 13.504 11.201 1.00 0.00 C ATOM 562 C ILE A 38 -4.429 12.591 12.180 1.00 0.00 C ATOM 563 O ILE A 38 -5.013 13.057 13.157 1.00 0.00 O ATOM 564 CB ILE A 38 -4.270 13.316 9.785 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.381 14.016 8.756 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.691 13.854 9.720 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.129 15.476 9.062 1.00 0.00 C ATOM 0 H ILE A 38 -1.916 12.587 10.548 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.845 14.538 11.509 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.295 12.251 9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.425 13.495 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.845 13.935 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.087 13.715 8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.316 13.317 10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.690 14.916 9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.491 15.905 8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.078 16.011 9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.636 15.565 10.030 1.00 0.00 H new ATOM 579 N ASN A 39 -4.389 11.288 11.922 1.00 0.00 N ATOM 580 CA ASN A 39 -5.046 10.315 12.791 1.00 0.00 C ATOM 581 C ASN A 39 -4.034 9.313 13.344 1.00 0.00 C ATOM 582 O ASN A 39 -3.925 8.189 12.852 1.00 0.00 O ATOM 583 CB ASN A 39 -6.149 9.583 12.033 1.00 0.00 C ATOM 584 CG ASN A 39 -7.486 10.287 12.151 1.00 0.00 C ATOM 585 OD1 ASN A 39 -7.566 11.511 12.040 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.543 9.519 12.375 1.00 0.00 N ATOM 0 H ASN A 39 -3.909 10.880 11.119 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.492 10.853 13.627 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.874 9.503 10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.240 8.567 12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.469 9.938 12.462 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.431 8.509 12.460 1.00 0.00 H new ATOM 593 N PRO A 40 -3.279 9.713 14.382 1.00 0.00 N ATOM 594 CA PRO A 40 -2.272 8.848 15.007 1.00 0.00 C ATOM 595 C PRO A 40 -2.833 7.482 15.376 1.00 0.00 C ATOM 596 O PRO A 40 -2.132 6.472 15.312 1.00 0.00 O ATOM 597 CB PRO A 40 -1.871 9.622 16.264 1.00 0.00 C ATOM 598 CG PRO A 40 -2.153 11.047 15.940 1.00 0.00 C ATOM 599 CD PRO A 40 -3.350 11.037 15.029 1.00 0.00 C ATOM 0 HA PRO A 40 -1.439 8.640 14.336 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.444 9.293 17.131 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.818 9.471 16.502 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.356 11.620 16.845 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.296 11.513 15.453 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.279 11.163 15.585 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.305 11.844 14.298 1.00 0.00 H new ATOM 607 N ALA A 41 -4.104 7.457 15.760 1.00 0.00 N ATOM 608 CA ALA A 41 -4.762 6.215 16.138 1.00 0.00 C ATOM 609 C ALA A 41 -5.489 5.594 14.949 1.00 0.00 C ATOM 610 O ALA A 41 -6.657 5.219 15.048 1.00 0.00 O ATOM 611 CB ALA A 41 -5.729 6.464 17.287 1.00 0.00 C ATOM 0 H ALA A 41 -4.698 8.284 15.817 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.999 5.509 16.467 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.216 5.528 17.562 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.182 6.854 18.145 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.483 7.188 16.978 1.00 0.00 H new ATOM 617 N ALA A 42 -4.788 5.481 13.824 1.00 0.00 N ATOM 618 CA ALA A 42 -5.362 4.896 12.617 1.00 0.00 C ATOM 619 C ALA A 42 -4.265 4.420 11.678 1.00 0.00 C ATOM 620 O ALA A 42 -4.370 3.352 11.078 1.00 0.00 O ATOM 621 CB ALA A 42 -6.268 5.889 11.908 1.00 0.00 C ATOM 0 H ALA A 42 -3.820 5.787 13.724 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.963 4.037 12.915 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.683 5.428 11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.080 6.181 12.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.692 6.771 11.629 1.00 0.00 H new ATOM 627 N ALA A 43 -3.207 5.225 11.564 1.00 0.00 N ATOM 628 CA ALA A 43 -2.068 4.904 10.707 1.00 0.00 C ATOM 629 C ALA A 43 -1.745 3.418 10.753 1.00 0.00 C ATOM 630 O ALA A 43 -1.680 2.751 9.723 1.00 0.00 O ATOM 631 CB ALA A 43 -0.860 5.715 11.137 1.00 0.00 C ATOM 0 H ALA A 43 -3.117 6.112 12.060 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.329 5.158 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.012 5.473 10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.087 6.778 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.612 5.477 12.171 1.00 0.00 H new ATOM 637 N ALA A 44 -1.536 2.907 11.962 1.00 0.00 N ATOM 638 CA ALA A 44 -1.214 1.501 12.150 1.00 0.00 C ATOM 639 C ALA A 44 -2.185 0.598 11.389 1.00 0.00 C ATOM 640 O ALA A 44 -1.800 -0.448 10.870 1.00 0.00 O ATOM 641 CB ALA A 44 -1.210 1.156 13.633 1.00 0.00 C ATOM 0 H ALA A 44 -1.584 3.448 12.825 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.217 1.327 11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.968 0.101 13.760 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.465 1.764 14.146 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.195 1.356 14.056 1.00 0.00 H new ATOM 647 N LYS A 45 -3.446 1.017 11.329 1.00 0.00 N ATOM 648 CA LYS A 45 -4.480 0.258 10.631 1.00 0.00 C ATOM 649 C LYS A 45 -4.568 0.655 9.164 1.00 0.00 C ATOM 650 O LYS A 45 -4.626 -0.199 8.281 1.00 0.00 O ATOM 651 CB LYS A 45 -5.835 0.478 11.293 1.00 0.00 C ATOM 652 CG LYS A 45 -5.919 -0.098 12.694 1.00 0.00 C ATOM 653 CD LYS A 45 -6.921 -1.241 12.771 1.00 0.00 C ATOM 654 CE LYS A 45 -8.044 -0.934 13.746 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.526 -0.486 15.068 1.00 0.00 N ATOM 0 H LYS A 45 -3.778 1.881 11.757 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.208 -0.796 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.042 1.547 11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.611 0.027 10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.936 -0.454 13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.207 0.687 13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.338 -1.427 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.410 -2.153 13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.687 -0.160 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.661 -1.822 13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.194 -0.765 15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.602 -0.929 15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.420 0.549 15.067 1.00 0.00 H new ATOM 669 N VAL A 46 -4.578 1.958 8.912 1.00 0.00 N ATOM 670 CA VAL A 46 -4.660 2.466 7.551 1.00 0.00 C ATOM 671 C VAL A 46 -3.486 1.977 6.720 1.00 0.00 C ATOM 672 O VAL A 46 -3.661 1.534 5.588 1.00 0.00 O ATOM 673 CB VAL A 46 -4.676 4.007 7.511 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.185 4.491 6.164 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.515 4.580 8.646 1.00 0.00 C ATOM 0 H VAL A 46 -4.530 2.680 9.631 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.596 2.090 7.137 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.655 4.363 7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.192 5.581 6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.532 4.120 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.197 4.119 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.507 5.669 8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.540 4.220 8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.099 4.262 9.602 1.00 0.00 H new ATOM 685 N THR A 47 -2.291 2.075 7.289 1.00 0.00 N ATOM 686 CA THR A 47 -1.074 1.656 6.606 1.00 0.00 C ATOM 687 C THR A 47 -1.031 0.145 6.407 1.00 0.00 C ATOM 688 O THR A 47 -0.815 -0.340 5.295 1.00 0.00 O ATOM 689 CB THR A 47 0.156 2.097 7.400 1.00 0.00 C ATOM 690 OG1 THR A 47 0.039 3.451 7.795 1.00 0.00 O ATOM 691 CG2 THR A 47 1.445 1.953 6.624 1.00 0.00 C ATOM 0 H THR A 47 -2.139 2.443 8.228 1.00 0.00 H new ATOM 0 HA THR A 47 -1.071 2.131 5.625 1.00 0.00 H new ATOM 0 HB THR A 47 0.195 1.438 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.545 3.514 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.280 2.282 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.588 0.909 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.397 2.564 5.723 1.00 0.00 H new ATOM 699 N GLY A 48 -1.216 -0.594 7.494 1.00 0.00 N ATOM 700 CA GLY A 48 -1.174 -2.042 7.428 1.00 0.00 C ATOM 701 C GLY A 48 -2.357 -2.618 6.682 1.00 0.00 C ATOM 702 O GLY A 48 -2.188 -3.378 5.727 1.00 0.00 O ATOM 0 H GLY A 48 -1.395 -0.214 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.252 -2.354 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.152 -2.449 8.439 1.00 0.00 H new ATOM 706 N MET A 49 -3.559 -2.255 7.112 1.00 0.00 N ATOM 707 CA MET A 49 -4.769 -2.738 6.471 1.00 0.00 C ATOM 708 C MET A 49 -4.885 -2.176 5.057 1.00 0.00 C ATOM 709 O MET A 49 -5.152 -2.920 4.115 1.00 0.00 O ATOM 710 CB MET A 49 -6.008 -2.345 7.285 1.00 0.00 C ATOM 711 CG MET A 49 -5.935 -2.750 8.749 1.00 0.00 C ATOM 712 SD MET A 49 -6.171 -4.520 8.985 1.00 0.00 S ATOM 713 CE MET A 49 -4.487 -5.044 9.291 1.00 0.00 C ATOM 0 H MET A 49 -3.719 -1.629 7.901 1.00 0.00 H new ATOM 0 HA MET A 49 -4.712 -3.825 6.419 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.144 -1.265 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.888 -2.804 6.834 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.967 -2.458 9.156 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.694 -2.207 9.312 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.466 -6.121 9.457 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.867 -4.797 8.429 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.102 -4.533 10.174 1.00 0.00 H new ATOM 723 N LEU A 50 -4.720 -0.852 4.942 1.00 0.00 N ATOM 724 CA LEU A 50 -4.836 -0.119 3.666 1.00 0.00 C ATOM 725 C LEU A 50 -5.537 -0.916 2.568 1.00 0.00 C ATOM 726 O LEU A 50 -6.624 -0.549 2.129 1.00 0.00 O ATOM 727 CB LEU A 50 -3.467 0.313 3.151 1.00 0.00 C ATOM 728 CG LEU A 50 -3.515 1.317 2.000 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.221 2.603 2.425 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.107 1.598 1.502 1.00 0.00 C ATOM 0 H LEU A 50 -4.500 -0.251 5.736 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.449 0.753 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.903 0.750 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.920 -0.571 2.824 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.092 0.887 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.242 3.301 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.242 2.374 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.684 3.054 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.147 2.314 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.509 2.011 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.653 0.671 1.152 1.00 0.00 H new ATOM 742 N LEU A 51 -4.905 -1.992 2.112 1.00 0.00 N ATOM 743 CA LEU A 51 -5.477 -2.818 1.056 1.00 0.00 C ATOM 744 C LEU A 51 -6.676 -3.608 1.567 1.00 0.00 C ATOM 745 O LEU A 51 -6.622 -4.834 1.672 1.00 0.00 O ATOM 746 CB LEU A 51 -4.416 -3.778 0.505 1.00 0.00 C ATOM 747 CG LEU A 51 -3.462 -3.183 -0.531 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.233 -2.600 0.150 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.058 -4.238 -1.547 1.00 0.00 C ATOM 0 H LEU A 51 -3.999 -2.312 2.456 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.817 -2.159 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.827 -4.158 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.923 -4.633 0.057 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.978 -2.379 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.565 -2.181 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.538 -1.815 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.714 -3.386 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.379 -3.798 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.559 -5.062 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.946 -4.612 -2.056 1.00 0.00 H new ATOM 761 N GLU A 52 -7.759 -2.906 1.881 1.00 0.00 N ATOM 762 CA GLU A 52 -8.967 -3.554 2.374 1.00 0.00 C ATOM 763 C GLU A 52 -9.994 -3.717 1.256 1.00 0.00 C ATOM 764 O GLU A 52 -9.723 -3.397 0.098 1.00 0.00 O ATOM 765 CB GLU A 52 -9.567 -2.756 3.533 1.00 0.00 C ATOM 766 CG GLU A 52 -8.649 -2.652 4.740 1.00 0.00 C ATOM 767 CD GLU A 52 -7.980 -3.970 5.082 1.00 0.00 C ATOM 768 OE1 GLU A 52 -7.117 -4.418 4.299 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.318 -4.551 6.136 1.00 0.00 O ATOM 0 H GLU A 52 -7.825 -1.891 1.803 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.695 -4.546 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.810 -1.752 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.503 -3.223 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.884 -1.900 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.224 -2.307 5.600 1.00 0.00 H new ATOM 776 N MET A 53 -11.165 -4.229 1.609 1.00 0.00 N ATOM 777 CA MET A 53 -12.226 -4.450 0.633 1.00 0.00 C ATOM 778 C MET A 53 -12.678 -3.147 -0.021 1.00 0.00 C ATOM 779 O MET A 53 -12.576 -2.989 -1.238 1.00 0.00 O ATOM 780 CB MET A 53 -13.419 -5.134 1.300 1.00 0.00 C ATOM 781 CG MET A 53 -13.111 -6.540 1.790 1.00 0.00 C ATOM 782 SD MET A 53 -12.715 -7.671 0.444 1.00 0.00 S ATOM 783 CE MET A 53 -14.209 -7.561 -0.534 1.00 0.00 C ATOM 0 H MET A 53 -11.405 -4.499 2.563 1.00 0.00 H new ATOM 0 HA MET A 53 -11.823 -5.094 -0.149 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.752 -4.528 2.143 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.247 -5.177 0.592 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.274 -6.503 2.487 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.968 -6.924 2.342 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.405 -8.523 -1.008 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.047 -7.296 0.111 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.086 -6.797 -1.302 1.00 0.00 H new ATOM 793 N ASP A 54 -13.176 -2.216 0.786 1.00 0.00 N ATOM 794 CA ASP A 54 -13.645 -0.936 0.270 1.00 0.00 C ATOM 795 C ASP A 54 -12.556 0.120 0.367 1.00 0.00 C ATOM 796 O ASP A 54 -12.004 0.545 -0.648 1.00 0.00 O ATOM 797 CB ASP A 54 -14.893 -0.488 1.029 1.00 0.00 C ATOM 798 CG ASP A 54 -15.372 0.890 0.611 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.895 1.395 -0.427 1.00 0.00 O ATOM 800 OD2 ASP A 54 -16.225 1.463 1.321 1.00 0.00 O ATOM 0 H ASP A 54 -13.265 -2.324 1.796 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.900 -1.062 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.692 -1.211 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.681 -0.485 2.098 1.00 0.00 H new ATOM 805 N ASN A 55 -12.240 0.533 1.592 1.00 0.00 N ATOM 806 CA ASN A 55 -11.202 1.534 1.819 1.00 0.00 C ATOM 807 C ASN A 55 -9.966 1.217 0.989 1.00 0.00 C ATOM 808 O ASN A 55 -9.220 2.114 0.599 1.00 0.00 O ATOM 809 CB ASN A 55 -10.828 1.584 3.302 1.00 0.00 C ATOM 810 CG ASN A 55 -9.585 2.419 3.566 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.362 3.442 2.919 1.00 0.00 O ATOM 812 ND2 ASN A 55 -8.771 1.984 4.520 1.00 0.00 N ATOM 0 H ASN A 55 -12.688 0.190 2.442 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.592 2.506 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.663 1.994 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.663 0.570 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.922 2.503 4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.995 1.130 5.032 1.00 0.00 H new ATOM 819 N GLY A 56 -9.760 -0.065 0.725 1.00 0.00 N ATOM 820 CA GLY A 56 -8.617 -0.475 -0.054 1.00 0.00 C ATOM 821 C GLY A 56 -8.756 -0.112 -1.513 1.00 0.00 C ATOM 822 O GLY A 56 -7.939 0.631 -2.047 1.00 0.00 O ATOM 0 H GLY A 56 -10.364 -0.825 1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.719 -0.008 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.485 -1.553 0.039 1.00 0.00 H new ATOM 826 N GLU A 57 -9.779 -0.653 -2.174 1.00 0.00 N ATOM 827 CA GLU A 57 -9.996 -0.386 -3.596 1.00 0.00 C ATOM 828 C GLU A 57 -9.598 1.037 -3.982 1.00 0.00 C ATOM 829 O GLU A 57 -8.798 1.242 -4.894 1.00 0.00 O ATOM 830 CB GLU A 57 -11.453 -0.618 -3.970 1.00 0.00 C ATOM 831 CG GLU A 57 -11.919 -2.047 -3.752 1.00 0.00 C ATOM 832 CD GLU A 57 -12.059 -2.824 -5.049 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.905 -2.216 -6.131 1.00 0.00 O ATOM 834 OE2 GLU A 57 -12.328 -4.043 -4.985 1.00 0.00 O ATOM 0 H GLU A 57 -10.467 -1.275 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.359 -1.079 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.081 0.053 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.596 -0.354 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.211 -2.560 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.878 -2.037 -3.234 1.00 0.00 H new ATOM 841 N ILE A 58 -10.161 2.016 -3.283 1.00 0.00 N ATOM 842 CA ILE A 58 -9.861 3.415 -3.555 1.00 0.00 C ATOM 843 C ILE A 58 -8.359 3.680 -3.454 1.00 0.00 C ATOM 844 O ILE A 58 -7.793 4.407 -4.269 1.00 0.00 O ATOM 845 CB ILE A 58 -10.622 4.343 -2.589 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.131 4.181 -2.783 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.205 5.797 -2.788 1.00 0.00 C ATOM 848 CD1 ILE A 58 -12.633 4.724 -4.103 1.00 0.00 C ATOM 0 H ILE A 58 -10.827 1.866 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.188 3.629 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.369 4.060 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.386 3.124 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.650 4.688 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.756 6.432 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.136 5.898 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.424 6.102 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.711 4.575 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.409 5.789 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.141 4.200 -4.923 1.00 0.00 H new ATOM 860 N LEU A 59 -7.729 3.084 -2.441 1.00 0.00 N ATOM 861 CA LEU A 59 -6.293 3.238 -2.215 1.00 0.00 C ATOM 862 C LEU A 59 -5.520 3.261 -3.528 1.00 0.00 C ATOM 863 O LEU A 59 -4.540 3.990 -3.669 1.00 0.00 O ATOM 864 CB LEU A 59 -5.780 2.103 -1.325 1.00 0.00 C ATOM 865 CG LEU A 59 -5.301 0.844 -2.060 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.891 1.034 -2.601 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.346 -0.351 -1.129 1.00 0.00 C ATOM 0 H LEU A 59 -8.196 2.486 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.132 4.193 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.956 2.484 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.575 1.818 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.969 0.665 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.574 0.128 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.878 1.872 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.209 1.238 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.004 -1.239 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.698 -0.169 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.368 -0.505 -0.784 1.00 0.00 H new ATOM 879 N ASN A 60 -5.967 2.452 -4.483 1.00 0.00 N ATOM 880 CA ASN A 60 -5.318 2.368 -5.788 1.00 0.00 C ATOM 881 C ASN A 60 -5.036 3.756 -6.366 1.00 0.00 C ATOM 882 O ASN A 60 -4.129 3.923 -7.180 1.00 0.00 O ATOM 883 CB ASN A 60 -6.185 1.565 -6.763 1.00 0.00 C ATOM 884 CG ASN A 60 -5.390 0.500 -7.495 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.579 0.806 -8.368 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.620 -0.759 -7.140 1.00 0.00 N ATOM 0 H ASN A 60 -6.779 1.843 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.364 1.859 -5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.002 1.094 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.635 2.242 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.115 -1.518 -7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.302 -0.967 -6.410 1.00 0.00 H new ATOM 893 N LEU A 61 -5.825 4.745 -5.952 1.00 0.00 N ATOM 894 CA LEU A 61 -5.659 6.107 -6.445 1.00 0.00 C ATOM 895 C LEU A 61 -5.316 7.079 -5.318 1.00 0.00 C ATOM 896 O LEU A 61 -6.048 8.040 -5.085 1.00 0.00 O ATOM 897 CB LEU A 61 -6.937 6.571 -7.151 1.00 0.00 C ATOM 898 CG LEU A 61 -7.509 5.581 -8.172 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.980 5.304 -7.891 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.326 6.108 -9.592 1.00 0.00 C ATOM 0 H LEU A 61 -6.582 4.628 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.829 6.101 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.698 6.772 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.732 7.514 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.961 4.643 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.365 4.599 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.086 4.879 -6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.544 6.235 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.738 5.391 -10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.845 7.061 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.264 6.249 -9.794 1.00 0.00 H new ATOM 912 N LEU A 62 -4.212 6.815 -4.611 1.00 0.00 N ATOM 913 CA LEU A 62 -3.777 7.663 -3.489 1.00 0.00 C ATOM 914 C LEU A 62 -4.232 9.118 -3.652 1.00 0.00 C ATOM 915 O LEU A 62 -3.548 9.934 -4.267 1.00 0.00 O ATOM 916 CB LEU A 62 -2.252 7.616 -3.367 1.00 0.00 C ATOM 917 CG LEU A 62 -1.686 6.314 -2.806 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.404 5.933 -3.530 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.444 6.432 -1.308 1.00 0.00 C ATOM 0 H LEU A 62 -3.600 6.020 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.241 7.270 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.819 7.787 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.929 8.439 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.419 5.524 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.015 5.002 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.612 5.799 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.335 6.724 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.041 5.493 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.733 7.236 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.385 6.652 -0.804 1.00 0.00 H new ATOM 931 N ASP A 63 -5.404 9.422 -3.098 1.00 0.00 N ATOM 932 CA ASP A 63 -5.973 10.765 -3.177 1.00 0.00 C ATOM 933 C ASP A 63 -5.959 11.447 -1.814 1.00 0.00 C ATOM 934 O ASP A 63 -5.846 10.792 -0.783 1.00 0.00 O ATOM 935 CB ASP A 63 -7.407 10.694 -3.708 1.00 0.00 C ATOM 936 CG ASP A 63 -7.661 11.680 -4.831 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.921 11.640 -5.838 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.603 12.491 -4.706 1.00 0.00 O ATOM 0 H ASP A 63 -5.980 8.753 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.362 11.354 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.609 9.684 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.103 10.890 -2.892 1.00 0.00 H new ATOM 943 N THR A 64 -6.079 12.771 -1.814 1.00 0.00 N ATOM 944 CA THR A 64 -6.083 13.525 -0.566 1.00 0.00 C ATOM 945 C THR A 64 -7.415 13.358 0.157 1.00 0.00 C ATOM 946 O THR A 64 -7.448 13.000 1.325 1.00 0.00 O ATOM 947 CB THR A 64 -5.796 15.005 -0.824 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.975 15.166 -1.965 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.104 15.693 0.338 1.00 0.00 C ATOM 0 H THR A 64 -6.174 13.339 -2.656 1.00 0.00 H new ATOM 0 HA THR A 64 -5.292 13.130 0.071 1.00 0.00 H new ATOM 0 HB THR A 64 -6.773 15.466 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.805 16.120 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.930 16.740 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.734 15.631 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.150 15.203 0.535 1.00 0.00 H new ATOM 957 N PRO A 65 -8.540 13.607 -0.533 1.00 0.00 N ATOM 958 CA PRO A 65 -9.864 13.464 0.064 1.00 0.00 C ATOM 959 C PRO A 65 -10.304 12.002 0.173 1.00 0.00 C ATOM 960 O PRO A 65 -10.520 11.492 1.271 1.00 0.00 O ATOM 961 CB PRO A 65 -10.771 14.246 -0.885 1.00 0.00 C ATOM 962 CG PRO A 65 -10.080 14.219 -2.209 1.00 0.00 C ATOM 963 CD PRO A 65 -8.608 14.031 -1.943 1.00 0.00 C ATOM 0 HA PRO A 65 -9.892 13.833 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.759 13.790 -0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.914 15.269 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.465 13.408 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.257 15.147 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.178 13.279 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.054 14.955 -2.107 1.00 0.00 H new ATOM 971 N GLY A 66 -10.450 11.342 -0.974 1.00 0.00 N ATOM 972 CA GLY A 66 -10.880 9.951 -1.000 1.00 0.00 C ATOM 973 C GLY A 66 -10.144 9.087 -0.001 1.00 0.00 C ATOM 974 O GLY A 66 -10.754 8.486 0.884 1.00 0.00 O ATOM 0 H GLY A 66 -10.277 11.749 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.950 9.903 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.729 9.548 -2.002 1.00 0.00 H new ATOM 978 N LEU A 67 -8.831 9.021 -0.148 1.00 0.00 N ATOM 979 CA LEU A 67 -8.006 8.222 0.737 1.00 0.00 C ATOM 980 C LEU A 67 -8.171 8.662 2.191 1.00 0.00 C ATOM 981 O LEU A 67 -8.737 7.935 3.004 1.00 0.00 O ATOM 982 CB LEU A 67 -6.550 8.340 0.292 1.00 0.00 C ATOM 983 CG LEU A 67 -5.932 7.067 -0.292 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.527 6.104 0.811 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.899 6.402 -1.262 1.00 0.00 C ATOM 0 H LEU A 67 -8.314 9.514 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.320 7.180 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.480 9.132 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.952 8.654 1.147 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.032 7.346 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.091 5.208 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.794 6.582 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.405 5.830 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.444 5.499 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.818 6.141 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.128 7.090 -2.076 1.00 0.00 H new ATOM 997 N LEU A 68 -7.666 9.851 2.513 1.00 0.00 N ATOM 998 CA LEU A 68 -7.748 10.372 3.881 1.00 0.00 C ATOM 999 C LEU A 68 -9.140 10.192 4.472 1.00 0.00 C ATOM 1000 O LEU A 68 -9.290 10.053 5.687 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.342 11.845 3.914 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.107 12.147 4.761 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.849 12.077 3.907 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -6.228 13.510 5.422 1.00 0.00 C ATOM 0 H LEU A 68 -7.198 10.471 1.852 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.054 9.798 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.157 12.180 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.179 12.430 4.295 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.036 11.394 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.977 12.294 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.753 11.078 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.915 12.809 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.338 13.705 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.325 14.279 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.108 13.526 6.065 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.157 10.178 3.619 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.523 9.995 4.085 1.00 0.00 C ATOM 1018 C ASP A 69 -11.762 8.541 4.479 1.00 0.00 C ATOM 1019 O ASP A 69 -12.074 8.244 5.626 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.524 10.415 3.007 1.00 0.00 C ATOM 1021 CG ASP A 69 -12.875 11.888 3.085 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -12.177 12.628 3.812 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -13.847 12.304 2.421 1.00 0.00 O ATOM 0 H ASP A 69 -10.062 10.290 2.610 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.669 10.627 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.108 10.195 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.433 9.822 3.108 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.606 7.638 3.519 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.807 6.214 3.768 1.00 0.00 C ATOM 1030 C ALA A 70 -10.647 5.600 4.554 1.00 0.00 C ATOM 1031 O ALA A 70 -10.699 4.431 4.933 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.993 5.478 2.449 1.00 0.00 C ATOM 0 H ALA A 70 -11.341 7.865 2.561 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.706 6.109 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.142 4.416 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.863 5.878 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.107 5.612 1.829 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.604 6.386 4.797 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.441 5.907 5.533 1.00 0.00 C ATOM 1040 C LYS A 71 -8.711 5.873 7.029 1.00 0.00 C ATOM 1041 O LYS A 71 -8.364 4.910 7.712 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.241 6.805 5.246 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.465 6.397 4.008 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.061 6.975 4.014 1.00 0.00 C ATOM 1045 CE LYS A 71 -5.056 8.447 3.629 1.00 0.00 C ATOM 1046 NZ LYS A 71 -4.085 8.750 2.542 1.00 0.00 N ATOM 0 H LYS A 71 -9.541 7.358 4.495 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.226 4.891 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.586 7.832 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.572 6.790 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.411 5.310 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.995 6.735 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.623 6.857 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.434 6.415 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.056 8.739 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.814 9.047 4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.339 9.376 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.658 7.865 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.579 9.221 1.757 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.326 6.935 7.531 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.642 7.042 8.946 1.00 0.00 C ATOM 1062 C VAL A 72 -10.960 6.353 9.269 1.00 0.00 C ATOM 1063 O VAL A 72 -11.067 5.628 10.260 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.712 8.515 9.385 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.408 9.220 9.053 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.888 9.224 8.724 1.00 0.00 C ATOM 0 H VAL A 72 -9.617 7.739 6.974 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.842 6.545 9.494 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.864 8.547 10.464 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.467 10.262 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.586 8.730 9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.233 9.175 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.916 10.264 9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.773 9.187 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.817 8.730 9.008 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.962 6.583 8.429 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.270 5.985 8.628 1.00 0.00 C ATOM 1078 C GLN A 73 -13.161 4.470 8.744 1.00 0.00 C ATOM 1079 O GLN A 73 -13.635 3.881 9.711 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.201 6.362 7.476 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.295 7.862 7.230 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.772 8.641 8.440 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.354 8.382 9.567 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -15.649 9.610 8.208 1.00 0.00 N ATOM 0 H GLN A 73 -11.891 7.180 7.605 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.685 6.369 9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.853 5.875 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.198 5.974 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.316 8.236 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.975 8.045 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.969 9.791 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.003 10.174 8.981 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.525 3.843 7.758 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.353 2.393 7.759 1.00 0.00 C ATOM 1095 C GLU A 74 -11.535 1.931 8.961 1.00 0.00 C ATOM 1096 O GLU A 74 -11.935 1.014 9.679 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.682 1.934 6.468 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.450 0.432 6.405 1.00 0.00 C ATOM 1099 CD GLU A 74 -12.644 -0.371 6.887 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -13.775 -0.066 6.459 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -12.445 -1.304 7.692 1.00 0.00 O ATOM 0 H GLU A 74 -12.121 4.315 6.949 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.344 1.944 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.299 2.234 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.725 2.446 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.218 0.148 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.580 0.178 7.010 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.389 2.568 9.176 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.518 2.215 10.291 1.00 0.00 C ATOM 1110 C ALA A 75 -10.246 2.368 11.621 1.00 0.00 C ATOM 1111 O ALA A 75 -10.160 1.503 12.494 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.261 3.069 10.274 1.00 0.00 C ATOM 0 H ALA A 75 -10.042 3.330 8.594 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.231 1.169 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.622 2.793 11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.724 2.907 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.535 4.121 10.357 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.966 3.473 11.770 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.711 3.736 12.991 1.00 0.00 C ATOM 1120 C LEU A 76 -12.952 2.852 13.073 1.00 0.00 C ATOM 1121 O LEU A 76 -13.412 2.513 14.162 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.100 5.213 13.066 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.987 6.148 13.542 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.501 7.574 13.661 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.420 5.670 14.871 1.00 0.00 C ATOM 0 H LEU A 76 -11.049 4.200 11.060 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.071 3.499 13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.430 5.537 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.953 5.316 13.737 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.186 6.134 12.802 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.695 8.224 14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.857 7.915 12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.321 7.607 14.379 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.629 6.347 15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.212 5.653 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.012 4.666 14.753 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.484 2.468 11.911 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.663 1.610 11.863 1.00 0.00 C ATOM 1139 C GLU A 77 -14.295 0.182 12.242 1.00 0.00 C ATOM 1140 O GLU A 77 -14.946 -0.435 13.081 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.290 1.626 10.465 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.789 1.875 10.474 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.136 3.350 10.529 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.972 4.038 9.500 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.571 3.817 11.603 1.00 0.00 O ATOM 0 H GLU A 77 -13.118 2.737 10.998 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.390 1.995 12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.805 2.398 9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.091 0.672 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.232 1.435 9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.232 1.369 11.332 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.242 -0.332 11.612 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.775 -1.687 11.873 1.00 0.00 C ATOM 1154 C VAL A 78 -12.178 -1.808 13.278 1.00 0.00 C ATOM 1155 O VAL A 78 -11.984 -2.912 13.787 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.737 -2.126 10.816 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.513 -1.226 10.850 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -11.341 -3.586 11.003 1.00 0.00 C ATOM 0 H VAL A 78 -12.695 0.173 10.915 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.639 -2.348 11.810 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.202 -2.030 9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.798 -1.556 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.811 -0.198 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.051 -1.277 11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.610 -3.865 10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.906 -3.721 11.993 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.224 -4.218 10.905 1.00 0.00 H new