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 Set 1.1: A 55 ASN : amide:sc= -1.96 K(o=-1.9,f=-13!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 148:sc= 0.0271 (180deg=-0.0307) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.9) USER MOD Single : A 34 HIS : no HD1:sc= -16.5! C(o=-16!,f=-16!) USER MOD Single : A 39 ASN : amide:sc= -3.41! C(o=-3.4!,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0291) USER MOD Single : A 47 THR OG1 : rot 83:sc= 0.425 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 73 GLN : amide:sc=-0.00196 X(o=-0.002,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 7.076 2.041 -0.771 1.00 0.00 N ATOM 363 CA VAL A 26 7.175 3.466 -0.474 1.00 0.00 C ATOM 364 C VAL A 26 5.815 4.051 -0.100 1.00 0.00 C ATOM 365 O VAL A 26 5.717 4.910 0.775 1.00 0.00 O ATOM 366 CB VAL A 26 7.793 4.249 -1.663 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.742 4.743 -2.658 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.636 5.409 -1.151 1.00 0.00 C ATOM 0 HA VAL A 26 7.839 3.572 0.384 1.00 0.00 H new ATOM 0 HB VAL A 26 8.432 3.552 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.233 5.283 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.199 3.891 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.044 5.408 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.063 5.949 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.010 6.084 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.439 5.025 -0.522 1.00 0.00 H new ATOM 378 N LEU A 27 4.771 3.582 -0.776 1.00 0.00 N ATOM 379 CA LEU A 27 3.418 4.063 -0.514 1.00 0.00 C ATOM 380 C LEU A 27 3.079 3.965 0.971 1.00 0.00 C ATOM 381 O LEU A 27 2.536 4.900 1.553 1.00 0.00 O ATOM 382 CB LEU A 27 2.398 3.269 -1.331 1.00 0.00 C ATOM 383 CG LEU A 27 2.495 3.449 -2.847 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.444 2.607 -3.552 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.360 4.916 -3.229 1.00 0.00 C ATOM 0 H LEU A 27 4.835 2.873 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 27 3.375 5.111 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.515 2.211 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.397 3.557 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 27 3.479 3.108 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.528 2.748 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.598 1.555 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.451 2.913 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.432 5.018 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.394 5.292 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.157 5.490 -2.756 1.00 0.00 H new ATOM 397 N GLY A 28 3.399 2.823 1.576 1.00 0.00 N ATOM 398 CA GLY A 28 3.111 2.630 2.985 1.00 0.00 C ATOM 399 C GLY A 28 3.822 3.638 3.866 1.00 0.00 C ATOM 400 O GLY A 28 3.231 4.173 4.805 1.00 0.00 O ATOM 0 H GLY A 28 3.851 2.032 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.036 2.706 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.407 1.623 3.279 1.00 0.00 H new ATOM 404 N GLU A 29 5.087 3.909 3.562 1.00 0.00 N ATOM 405 CA GLU A 29 5.865 4.872 4.337 1.00 0.00 C ATOM 406 C GLU A 29 5.199 6.243 4.293 1.00 0.00 C ATOM 407 O GLU A 29 4.920 6.844 5.332 1.00 0.00 O ATOM 408 CB GLU A 29 7.293 4.968 3.798 1.00 0.00 C ATOM 409 CG GLU A 29 7.982 3.621 3.652 1.00 0.00 C ATOM 410 CD GLU A 29 9.494 3.728 3.736 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.987 4.711 4.329 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.182 2.830 3.209 1.00 0.00 O ATOM 0 H GLU A 29 5.594 3.479 2.789 1.00 0.00 H new ATOM 0 HA GLU A 29 5.905 4.529 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.273 5.463 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.882 5.597 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.625 2.948 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.705 3.177 2.696 1.00 0.00 H new ATOM 419 N ARG A 30 4.937 6.725 3.083 1.00 0.00 N ATOM 420 CA ARG A 30 4.292 8.021 2.899 1.00 0.00 C ATOM 421 C ARG A 30 2.838 7.981 3.368 1.00 0.00 C ATOM 422 O ARG A 30 2.201 9.022 3.518 1.00 0.00 O ATOM 423 CB ARG A 30 4.349 8.440 1.429 1.00 0.00 C ATOM 424 CG ARG A 30 5.717 8.250 0.793 1.00 0.00 C ATOM 425 CD ARG A 30 6.164 9.494 0.041 1.00 0.00 C ATOM 426 NE ARG A 30 7.465 9.312 -0.599 1.00 0.00 N ATOM 427 CZ ARG A 30 8.631 9.487 0.020 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.668 9.842 1.299 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.767 9.307 -0.643 1.00 0.00 N ATOM 0 H ARG A 30 5.161 6.238 2.215 1.00 0.00 H new ATOM 0 HA ARG A 30 4.831 8.752 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.614 7.864 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.063 9.489 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.447 8.009 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.686 7.402 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.421 9.747 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.215 10.336 0.732 1.00 0.00 H new ATOM 0 HE ARG A 30 7.481 9.034 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.799 9.983 1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.565 9.974 1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.746 9.035 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.661 9.441 -0.170 1.00 0.00 H new ATOM 443 N LEU A 31 2.317 6.774 3.594 1.00 0.00 N ATOM 444 CA LEU A 31 0.942 6.605 4.042 1.00 0.00 C ATOM 445 C LEU A 31 0.805 6.965 5.519 1.00 0.00 C ATOM 446 O LEU A 31 0.060 7.870 5.890 1.00 0.00 O ATOM 447 CB LEU A 31 0.507 5.153 3.824 1.00 0.00 C ATOM 448 CG LEU A 31 -0.745 4.963 2.967 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.391 4.275 1.658 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.801 4.162 3.719 1.00 0.00 C ATOM 0 H LEU A 31 2.830 5.901 3.473 1.00 0.00 H new ATOM 0 HA LEU A 31 0.304 7.272 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.330 4.611 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.333 4.694 4.797 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.158 5.947 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.293 4.147 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.326 4.885 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.048 3.299 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.682 4.040 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.400 3.182 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.078 4.691 4.631 1.00 0.00 H new ATOM 462 N TYR A 32 1.529 6.239 6.356 1.00 0.00 N ATOM 463 CA TYR A 32 1.500 6.447 7.801 1.00 0.00 C ATOM 464 C TYR A 32 1.718 7.918 8.168 1.00 0.00 C ATOM 465 O TYR A 32 1.159 8.407 9.143 1.00 0.00 O ATOM 466 CB TYR A 32 2.573 5.569 8.451 1.00 0.00 C ATOM 467 CG TYR A 32 2.428 5.391 9.946 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.857 6.373 10.829 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.876 4.229 10.474 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.736 6.206 12.195 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.753 4.054 11.839 1.00 0.00 C ATOM 472 CZ TYR A 32 2.185 5.047 12.694 1.00 0.00 C ATOM 473 OH TYR A 32 2.066 4.874 14.053 1.00 0.00 O ATOM 0 H TYR A 32 2.153 5.490 6.057 1.00 0.00 H new ATOM 0 HA TYR A 32 0.514 6.168 8.173 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.554 4.587 7.979 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.551 6.003 8.244 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.292 7.282 10.442 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.538 3.451 9.806 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.072 6.981 12.868 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.322 3.146 12.234 1.00 0.00 H new ATOM 0 HH TYR A 32 1.656 4.003 14.237 1.00 0.00 H new ATOM 483 N ASN A 33 2.531 8.614 7.382 1.00 0.00 N ATOM 484 CA ASN A 33 2.824 10.025 7.630 1.00 0.00 C ATOM 485 C ASN A 33 1.610 10.906 7.368 1.00 0.00 C ATOM 486 O ASN A 33 1.385 11.889 8.074 1.00 0.00 O ATOM 487 CB ASN A 33 3.996 10.470 6.749 1.00 0.00 C ATOM 488 CG ASN A 33 4.117 11.979 6.627 1.00 0.00 C ATOM 489 OD1 ASN A 33 5.033 12.584 7.180 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.185 12.599 5.905 1.00 0.00 N ATOM 0 H ASN A 33 3.001 8.225 6.565 1.00 0.00 H new ATOM 0 HA ASN A 33 3.091 10.135 8.681 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.923 10.070 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.877 10.040 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.215 13.613 5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.441 12.060 5.462 1.00 0.00 H new ATOM 497 N HIS A 34 0.846 10.572 6.342 1.00 0.00 N ATOM 498 CA HIS A 34 -0.321 11.362 5.998 1.00 0.00 C ATOM 499 C HIS A 34 -1.343 11.337 7.128 1.00 0.00 C ATOM 500 O HIS A 34 -1.995 12.334 7.414 1.00 0.00 O ATOM 501 CB HIS A 34 -0.952 10.844 4.698 1.00 0.00 C ATOM 502 CG HIS A 34 -1.739 9.576 4.839 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.525 8.457 4.068 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.743 9.260 5.677 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.367 7.508 4.440 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.116 7.974 5.411 1.00 0.00 N ATOM 0 H HIS A 34 1.011 9.767 5.738 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.003 12.393 5.847 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.606 11.617 4.296 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.160 10.684 3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.176 9.907 6.425 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.428 6.517 4.016 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.856 7.460 5.889 1.00 0.00 H new ATOM 515 N ILE A 35 -1.498 10.164 7.721 1.00 0.00 N ATOM 516 CA ILE A 35 -2.472 9.954 8.794 1.00 0.00 C ATOM 517 C ILE A 35 -1.869 10.079 10.195 1.00 0.00 C ATOM 518 O ILE A 35 -2.544 10.533 11.112 1.00 0.00 O ATOM 519 CB ILE A 35 -3.176 8.581 8.663 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.111 8.340 9.851 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.159 7.455 8.551 1.00 0.00 C ATOM 522 CD1 ILE A 35 -4.966 7.102 9.703 1.00 0.00 C ATOM 0 H ILE A 35 -0.959 9.333 7.478 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.203 10.754 8.675 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.771 8.594 7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.516 8.255 10.760 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.759 9.207 9.975 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.680 6.502 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.536 7.613 7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.531 7.442 9.442 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.604 6.993 10.580 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.587 7.193 8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.324 6.226 9.610 1.00 0.00 H new ATOM 534 N VAL A 36 -0.617 9.668 10.376 1.00 0.00 N ATOM 535 CA VAL A 36 0.007 9.745 11.699 1.00 0.00 C ATOM 536 C VAL A 36 -0.255 11.106 12.339 1.00 0.00 C ATOM 537 O VAL A 36 -0.657 11.187 13.497 1.00 0.00 O ATOM 538 CB VAL A 36 1.527 9.483 11.661 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.236 10.543 10.843 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.089 9.427 13.072 1.00 0.00 C ATOM 0 H VAL A 36 -0.022 9.285 9.641 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.449 8.957 12.298 1.00 0.00 H new ATOM 0 HB VAL A 36 1.698 8.519 11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.306 10.337 10.831 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.852 10.532 9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.060 11.523 11.286 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.162 9.242 13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.905 10.376 13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.604 8.623 13.625 1.00 0.00 H new ATOM 550 N ALA A 37 -0.040 12.171 11.571 1.00 0.00 N ATOM 551 CA ALA A 37 -0.268 13.525 12.062 1.00 0.00 C ATOM 552 C ALA A 37 -1.762 13.818 12.181 1.00 0.00 C ATOM 553 O ALA A 37 -2.179 14.651 12.986 1.00 0.00 O ATOM 554 CB ALA A 37 0.393 14.538 11.140 1.00 0.00 C ATOM 0 H ALA A 37 0.291 12.122 10.608 1.00 0.00 H new ATOM 0 HA ALA A 37 0.176 13.606 13.054 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.215 15.545 11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.466 14.349 11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.027 14.447 10.138 1.00 0.00 H new ATOM 560 N ILE A 38 -2.560 13.141 11.360 1.00 0.00 N ATOM 561 CA ILE A 38 -4.013 13.348 11.369 1.00 0.00 C ATOM 562 C ILE A 38 -4.726 12.382 12.313 1.00 0.00 C ATOM 563 O ILE A 38 -5.330 12.800 13.299 1.00 0.00 O ATOM 564 CB ILE A 38 -4.612 13.215 9.956 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.679 13.857 8.928 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.992 13.856 9.904 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.440 15.330 9.164 1.00 0.00 C ATOM 0 H ILE A 38 -2.234 12.450 10.685 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.172 14.364 11.730 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.717 12.157 9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.722 13.335 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.101 13.721 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.403 13.754 8.900 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.651 13.360 10.617 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.912 14.913 10.158 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.769 15.717 8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.389 15.864 9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.989 15.473 10.146 1.00 0.00 H new ATOM 579 N ASN A 39 -4.645 11.090 12.014 1.00 0.00 N ATOM 580 CA ASN A 39 -5.273 10.070 12.844 1.00 0.00 C ATOM 581 C ASN A 39 -4.234 9.062 13.335 1.00 0.00 C ATOM 582 O ASN A 39 -4.166 7.934 12.847 1.00 0.00 O ATOM 583 CB ASN A 39 -6.384 9.356 12.067 1.00 0.00 C ATOM 584 CG ASN A 39 -7.678 9.275 12.852 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.123 10.261 13.439 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.290 8.095 12.871 1.00 0.00 N ATOM 0 H ASN A 39 -4.149 10.724 11.201 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.716 10.559 13.712 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.563 9.882 11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.055 8.349 11.810 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.163 7.982 13.386 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.887 7.303 12.370 1.00 0.00 H new ATOM 593 N PRO A 40 -3.404 9.462 14.317 1.00 0.00 N ATOM 594 CA PRO A 40 -2.366 8.592 14.874 1.00 0.00 C ATOM 595 C PRO A 40 -2.905 7.223 15.265 1.00 0.00 C ATOM 596 O PRO A 40 -2.267 6.199 15.019 1.00 0.00 O ATOM 597 CB PRO A 40 -1.894 9.339 16.120 1.00 0.00 C ATOM 598 CG PRO A 40 -2.243 10.770 15.889 1.00 0.00 C ATOM 599 CD PRO A 40 -3.424 10.790 14.954 1.00 0.00 C ATOM 0 HA PRO A 40 -1.576 8.399 14.148 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.384 8.956 17.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.821 9.217 16.267 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.487 11.264 16.829 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.399 11.308 15.456 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.356 10.959 15.493 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.334 11.587 14.216 1.00 0.00 H new ATOM 607 N ALA A 41 -4.086 7.211 15.873 1.00 0.00 N ATOM 608 CA ALA A 41 -4.717 5.968 16.300 1.00 0.00 C ATOM 609 C ALA A 41 -5.417 5.275 15.134 1.00 0.00 C ATOM 610 O ALA A 41 -6.551 4.808 15.264 1.00 0.00 O ATOM 611 CB ALA A 41 -5.701 6.243 17.427 1.00 0.00 C ATOM 0 H ALA A 41 -4.627 8.050 16.082 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.939 5.298 16.665 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.167 5.308 17.739 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.172 6.685 18.272 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.469 6.933 17.079 1.00 0.00 H new ATOM 617 N ALA A 42 -4.736 5.203 13.997 1.00 0.00 N ATOM 618 CA ALA A 42 -5.289 4.564 12.813 1.00 0.00 C ATOM 619 C ALA A 42 -4.183 4.174 11.845 1.00 0.00 C ATOM 620 O ALA A 42 -4.221 3.096 11.257 1.00 0.00 O ATOM 621 CB ALA A 42 -6.291 5.476 12.132 1.00 0.00 C ATOM 0 H ALA A 42 -3.797 5.581 13.871 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.806 3.657 13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.693 4.980 11.249 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.104 5.703 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.798 6.401 11.835 1.00 0.00 H new ATOM 627 N ALA A 43 -3.196 5.060 11.682 1.00 0.00 N ATOM 628 CA ALA A 43 -2.071 4.808 10.784 1.00 0.00 C ATOM 629 C ALA A 43 -1.663 3.338 10.820 1.00 0.00 C ATOM 630 O ALA A 43 -1.562 2.683 9.784 1.00 0.00 O ATOM 631 CB ALA A 43 -0.887 5.687 11.161 1.00 0.00 C ATOM 0 H ALA A 43 -3.156 5.959 12.162 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.386 5.052 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.056 5.489 10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.174 6.736 11.086 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.582 5.467 12.184 1.00 0.00 H new ATOM 637 N ALA A 44 -1.430 2.829 12.027 1.00 0.00 N ATOM 638 CA ALA A 44 -1.034 1.439 12.208 1.00 0.00 C ATOM 639 C ALA A 44 -1.955 0.491 11.447 1.00 0.00 C ATOM 640 O ALA A 44 -1.503 -0.482 10.843 1.00 0.00 O ATOM 641 CB ALA A 44 -1.018 1.083 13.686 1.00 0.00 C ATOM 0 H ALA A 44 -1.509 3.361 12.894 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.029 1.325 11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.720 0.041 13.806 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.309 1.726 14.207 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.014 1.227 14.106 1.00 0.00 H new ATOM 647 N LYS A 45 -3.249 0.785 11.481 1.00 0.00 N ATOM 648 CA LYS A 45 -4.238 -0.037 10.798 1.00 0.00 C ATOM 649 C LYS A 45 -4.382 0.388 9.341 1.00 0.00 C ATOM 650 O LYS A 45 -4.393 -0.445 8.439 1.00 0.00 O ATOM 651 CB LYS A 45 -5.585 0.046 11.512 1.00 0.00 C ATOM 652 CG LYS A 45 -5.512 -0.321 12.988 1.00 0.00 C ATOM 653 CD LYS A 45 -5.837 -1.791 13.214 1.00 0.00 C ATOM 654 CE LYS A 45 -4.641 -2.554 13.765 1.00 0.00 C ATOM 655 NZ LYS A 45 -4.304 -2.132 15.153 1.00 0.00 N ATOM 0 H LYS A 45 -3.638 1.588 11.975 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.895 -1.071 10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.977 1.059 11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.293 -0.618 11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.514 -0.105 13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.209 0.298 13.553 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.674 -1.876 13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.155 -2.242 12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.855 -3.623 13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.779 -2.394 13.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.639 -2.813 15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.866 -1.189 15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.171 -2.099 15.726 1.00 0.00 H new ATOM 669 N VAL A 46 -4.485 1.690 9.116 1.00 0.00 N ATOM 670 CA VAL A 46 -4.624 2.215 7.764 1.00 0.00 C ATOM 671 C VAL A 46 -3.427 1.839 6.900 1.00 0.00 C ATOM 672 O VAL A 46 -3.584 1.260 5.832 1.00 0.00 O ATOM 673 CB VAL A 46 -4.764 3.742 7.764 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.104 4.245 6.378 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.819 4.179 8.756 1.00 0.00 C ATOM 0 H VAL A 46 -4.475 2.400 9.848 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.529 1.770 7.351 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.808 4.173 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.199 5.331 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.312 3.963 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.046 3.804 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.904 5.266 8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.778 3.736 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.536 3.850 9.756 1.00 0.00 H new ATOM 685 N THR A 47 -2.234 2.190 7.365 1.00 0.00 N ATOM 686 CA THR A 47 -1.004 1.907 6.632 1.00 0.00 C ATOM 687 C THR A 47 -0.804 0.411 6.403 1.00 0.00 C ATOM 688 O THR A 47 -0.556 -0.026 5.280 1.00 0.00 O ATOM 689 CB THR A 47 0.199 2.481 7.385 1.00 0.00 C ATOM 690 OG1 THR A 47 -0.126 3.721 7.992 1.00 0.00 O ATOM 691 CG2 THR A 47 1.401 2.703 6.496 1.00 0.00 C ATOM 0 H THR A 47 -2.091 2.674 8.251 1.00 0.00 H new ATOM 0 HA THR A 47 -1.090 2.383 5.655 1.00 0.00 H new ATOM 0 HB THR A 47 0.453 1.735 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.578 3.559 8.846 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.221 3.111 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.708 1.754 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.142 3.404 5.703 1.00 0.00 H new ATOM 699 N GLY A 48 -0.889 -0.368 7.475 1.00 0.00 N ATOM 700 CA GLY A 48 -0.691 -1.801 7.365 1.00 0.00 C ATOM 701 C GLY A 48 -1.807 -2.486 6.610 1.00 0.00 C ATOM 702 O GLY A 48 -1.562 -3.194 5.634 1.00 0.00 O ATOM 0 H GLY A 48 -1.091 -0.034 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.256 -1.996 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.615 -2.231 8.364 1.00 0.00 H new ATOM 706 N MET A 49 -3.034 -2.277 7.064 1.00 0.00 N ATOM 707 CA MET A 49 -4.186 -2.880 6.419 1.00 0.00 C ATOM 708 C MET A 49 -4.393 -2.276 5.037 1.00 0.00 C ATOM 709 O MET A 49 -4.576 -3.007 4.069 1.00 0.00 O ATOM 710 CB MET A 49 -5.443 -2.705 7.276 1.00 0.00 C ATOM 711 CG MET A 49 -5.250 -3.105 8.731 1.00 0.00 C ATOM 712 SD MET A 49 -4.632 -4.790 8.916 1.00 0.00 S ATOM 713 CE MET A 49 -3.182 -4.505 9.928 1.00 0.00 C ATOM 0 H MET A 49 -3.255 -1.697 7.873 1.00 0.00 H new ATOM 0 HA MET A 49 -3.998 -3.948 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.759 -1.663 7.234 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.250 -3.300 6.848 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.553 -2.413 9.204 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.199 -3.011 9.258 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.687 -5.455 10.131 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.495 -3.843 9.401 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.480 -4.043 10.869 1.00 0.00 H new ATOM 723 N LEU A 50 -4.378 -0.932 4.976 1.00 0.00 N ATOM 724 CA LEU A 50 -4.580 -0.165 3.729 1.00 0.00 C ATOM 725 C LEU A 50 -5.257 -0.974 2.623 1.00 0.00 C ATOM 726 O LEU A 50 -6.385 -0.678 2.236 1.00 0.00 O ATOM 727 CB LEU A 50 -3.248 0.383 3.218 1.00 0.00 C ATOM 728 CG LEU A 50 -3.331 1.144 1.891 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.132 2.435 2.048 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.934 1.436 1.362 1.00 0.00 C ATOM 0 H LEU A 50 -4.225 -0.342 5.794 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.252 0.655 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.830 1.046 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.551 -0.447 3.101 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.852 0.516 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.175 2.955 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.143 2.198 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.650 3.075 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.008 1.977 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.390 2.042 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.402 0.498 1.202 1.00 0.00 H new ATOM 742 N LEU A 51 -4.565 -1.988 2.115 1.00 0.00 N ATOM 743 CA LEU A 51 -5.109 -2.823 1.055 1.00 0.00 C ATOM 744 C LEU A 51 -6.306 -3.627 1.547 1.00 0.00 C ATOM 745 O LEU A 51 -6.210 -4.839 1.759 1.00 0.00 O ATOM 746 CB LEU A 51 -4.027 -3.761 0.520 1.00 0.00 C ATOM 747 CG LEU A 51 -2.949 -3.083 -0.332 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.557 -3.502 0.123 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.158 -3.411 -1.804 1.00 0.00 C ATOM 0 H LEU A 51 -3.628 -2.250 2.421 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.449 -2.172 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.545 -4.255 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.504 -4.540 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.033 -2.004 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.808 -3.008 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.413 -3.215 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.453 -4.583 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.386 -2.923 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.100 -4.490 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.138 -3.055 -2.120 1.00 0.00 H new ATOM 761 N GLU A 52 -7.428 -2.948 1.735 1.00 0.00 N ATOM 762 CA GLU A 52 -8.641 -3.600 2.207 1.00 0.00 C ATOM 763 C GLU A 52 -9.588 -3.894 1.048 1.00 0.00 C ATOM 764 O GLU A 52 -9.374 -3.440 -0.075 1.00 0.00 O ATOM 765 CB GLU A 52 -9.346 -2.719 3.240 1.00 0.00 C ATOM 766 CG GLU A 52 -8.559 -2.526 4.525 1.00 0.00 C ATOM 767 CD GLU A 52 -8.678 -3.710 5.465 1.00 0.00 C ATOM 768 OE1 GLU A 52 -7.941 -4.701 5.270 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.509 -3.649 6.395 1.00 0.00 O ATOM 0 H GLU A 52 -7.524 -1.946 1.568 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.359 -4.545 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.543 -1.743 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.313 -3.161 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.509 -2.363 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.912 -1.628 5.032 1.00 0.00 H new ATOM 776 N MET A 53 -10.629 -4.663 1.329 1.00 0.00 N ATOM 777 CA MET A 53 -11.612 -5.032 0.314 1.00 0.00 C ATOM 778 C MET A 53 -12.183 -3.798 -0.383 1.00 0.00 C ATOM 779 O MET A 53 -12.039 -3.636 -1.593 1.00 0.00 O ATOM 780 CB MET A 53 -12.756 -5.846 0.940 1.00 0.00 C ATOM 781 CG MET A 53 -12.501 -6.295 2.374 1.00 0.00 C ATOM 782 SD MET A 53 -12.744 -4.975 3.585 1.00 0.00 S ATOM 783 CE MET A 53 -14.523 -4.994 3.778 1.00 0.00 C ATOM 0 H MET A 53 -10.818 -5.047 2.255 1.00 0.00 H new ATOM 0 HA MET A 53 -11.100 -5.643 -0.430 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.666 -5.247 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 53 -12.938 -6.727 0.324 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.166 -7.125 2.612 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.481 -6.671 2.455 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.819 -4.230 4.497 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.995 -4.790 2.817 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.840 -5.973 4.138 1.00 0.00 H new ATOM 793 N ASP A 54 -12.827 -2.927 0.390 1.00 0.00 N ATOM 794 CA ASP A 54 -13.426 -1.711 -0.157 1.00 0.00 C ATOM 795 C ASP A 54 -12.464 -0.537 -0.050 1.00 0.00 C ATOM 796 O ASP A 54 -11.916 -0.077 -1.055 1.00 0.00 O ATOM 797 CB ASP A 54 -14.732 -1.398 0.576 1.00 0.00 C ATOM 798 CG ASP A 54 -15.305 -0.039 0.215 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.144 0.385 -0.949 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.913 0.603 1.100 1.00 0.00 O ATOM 0 H ASP A 54 -12.948 -3.040 1.397 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.641 -1.876 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.466 -2.169 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.557 -1.438 1.651 1.00 0.00 H new ATOM 805 N ASN A 55 -12.258 -0.054 1.173 1.00 0.00 N ATOM 806 CA ASN A 55 -11.355 1.067 1.413 1.00 0.00 C ATOM 807 C ASN A 55 -10.073 0.907 0.603 1.00 0.00 C ATOM 808 O ASN A 55 -9.445 1.889 0.206 1.00 0.00 O ATOM 809 CB ASN A 55 -11.023 1.164 2.905 1.00 0.00 C ATOM 810 CG ASN A 55 -9.996 2.239 3.200 1.00 0.00 C ATOM 811 OD1 ASN A 55 -10.078 3.349 2.678 1.00 0.00 O ATOM 812 ND2 ASN A 55 -9.016 1.913 4.031 1.00 0.00 N ATOM 0 H ASN A 55 -12.705 -0.422 2.013 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.852 1.984 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.935 1.373 3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.648 0.202 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.293 2.595 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.985 0.980 4.443 1.00 0.00 H new ATOM 819 N GLY A 56 -9.696 -0.344 0.358 1.00 0.00 N ATOM 820 CA GLY A 56 -8.500 -0.622 -0.405 1.00 0.00 C ATOM 821 C GLY A 56 -8.635 -0.235 -1.863 1.00 0.00 C ATOM 822 O GLY A 56 -7.861 0.575 -2.357 1.00 0.00 O ATOM 0 H GLY A 56 -10.202 -1.171 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.660 -0.083 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.268 -1.685 -0.335 1.00 0.00 H new ATOM 826 N GLU A 57 -9.608 -0.821 -2.570 1.00 0.00 N ATOM 827 CA GLU A 57 -9.800 -0.524 -3.996 1.00 0.00 C ATOM 828 C GLU A 57 -9.433 0.920 -4.337 1.00 0.00 C ATOM 829 O GLU A 57 -8.610 1.172 -5.219 1.00 0.00 O ATOM 830 CB GLU A 57 -11.244 -0.771 -4.420 1.00 0.00 C ATOM 831 CG GLU A 57 -11.766 -2.150 -4.067 1.00 0.00 C ATOM 832 CD GLU A 57 -10.979 -3.260 -4.733 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.325 -3.629 -5.876 1.00 0.00 O ATOM 834 OE2 GLU A 57 -10.017 -3.760 -4.113 1.00 0.00 O ATOM 0 H GLU A 57 -10.268 -1.496 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.134 -1.195 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.882 -0.022 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.324 -0.629 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.729 -2.282 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.813 -2.225 -4.362 1.00 0.00 H new ATOM 841 N ILE A 58 -10.048 1.863 -3.634 1.00 0.00 N ATOM 842 CA ILE A 58 -9.784 3.279 -3.860 1.00 0.00 C ATOM 843 C ILE A 58 -8.299 3.584 -3.696 1.00 0.00 C ATOM 844 O ILE A 58 -7.715 4.314 -4.496 1.00 0.00 O ATOM 845 CB ILE A 58 -10.607 4.155 -2.894 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.099 3.850 -3.048 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.337 5.636 -3.138 1.00 0.00 C ATOM 848 CD1 ILE A 58 -12.780 3.511 -1.742 1.00 0.00 C ATOM 0 H ILE A 58 -10.733 1.673 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.082 3.512 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.303 3.921 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.594 4.712 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.223 3.017 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.929 6.233 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.278 5.843 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.610 5.892 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.835 3.306 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.310 2.631 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.687 4.352 -1.054 1.00 0.00 H new ATOM 860 N LEU A 59 -7.700 3.016 -2.651 1.00 0.00 N ATOM 861 CA LEU A 59 -6.284 3.208 -2.354 1.00 0.00 C ATOM 862 C LEU A 59 -5.444 3.273 -3.627 1.00 0.00 C ATOM 863 O LEU A 59 -4.463 4.014 -3.701 1.00 0.00 O ATOM 864 CB LEU A 59 -5.789 2.071 -1.459 1.00 0.00 C ATOM 865 CG LEU A 59 -5.276 0.826 -2.194 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.819 1.005 -2.595 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.437 -0.409 -1.322 1.00 0.00 C ATOM 0 H LEU A 59 -8.183 2.410 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.174 4.161 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.988 2.453 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.603 1.772 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.869 0.692 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.472 0.112 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.727 1.868 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.213 1.164 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.068 -1.284 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.868 -0.281 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.491 -0.549 -1.080 1.00 0.00 H new ATOM 879 N ASN A 60 -5.833 2.488 -4.626 1.00 0.00 N ATOM 880 CA ASN A 60 -5.113 2.453 -5.897 1.00 0.00 C ATOM 881 C ASN A 60 -4.852 3.861 -6.428 1.00 0.00 C ATOM 882 O ASN A 60 -3.916 4.078 -7.199 1.00 0.00 O ATOM 883 CB ASN A 60 -5.900 1.644 -6.929 1.00 0.00 C ATOM 884 CG ASN A 60 -4.989 0.890 -7.880 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.352 -0.091 -7.500 1.00 0.00 O ATOM 886 ND2 ASN A 60 -4.921 1.351 -9.123 1.00 0.00 N ATOM 0 H ASN A 60 -6.642 1.868 -4.582 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.150 1.973 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.551 0.937 -6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.544 2.314 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.322 0.888 -9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.467 2.168 -9.394 1.00 0.00 H new ATOM 893 N LEU A 61 -5.687 4.815 -6.020 1.00 0.00 N ATOM 894 CA LEU A 61 -5.545 6.197 -6.466 1.00 0.00 C ATOM 895 C LEU A 61 -5.248 7.129 -5.295 1.00 0.00 C ATOM 896 O LEU A 61 -5.919 8.147 -5.126 1.00 0.00 O ATOM 897 CB LEU A 61 -6.820 6.651 -7.179 1.00 0.00 C ATOM 898 CG LEU A 61 -7.472 5.600 -8.082 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.947 5.446 -7.744 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.292 5.970 -9.547 1.00 0.00 C ATOM 0 H LEU A 61 -6.467 4.655 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.705 6.242 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.546 6.962 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.587 7.530 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.980 4.643 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.393 4.695 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.051 5.133 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.455 6.400 -7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.762 5.212 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.757 6.937 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.229 6.026 -9.780 1.00 0.00 H new ATOM 912 N LEU A 62 -4.250 6.766 -4.483 1.00 0.00 N ATOM 913 CA LEU A 62 -3.855 7.554 -3.307 1.00 0.00 C ATOM 914 C LEU A 62 -4.148 9.048 -3.486 1.00 0.00 C ATOM 915 O LEU A 62 -3.299 9.808 -3.949 1.00 0.00 O ATOM 916 CB LEU A 62 -2.366 7.345 -3.024 1.00 0.00 C ATOM 917 CG LEU A 62 -2.010 5.993 -2.411 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.679 5.494 -2.954 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.972 6.085 -0.893 1.00 0.00 C ATOM 0 H LEU A 62 -3.694 5.922 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.448 7.205 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.814 7.461 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.025 8.133 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.783 5.276 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.442 4.529 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.746 5.385 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.105 6.210 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.717 5.111 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.223 6.817 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.950 6.393 -0.523 1.00 0.00 H new ATOM 931 N ASP A 63 -5.365 9.448 -3.124 1.00 0.00 N ATOM 932 CA ASP A 63 -5.788 10.841 -3.252 1.00 0.00 C ATOM 933 C ASP A 63 -5.800 11.547 -1.901 1.00 0.00 C ATOM 934 O ASP A 63 -5.692 10.914 -0.855 1.00 0.00 O ATOM 935 CB ASP A 63 -7.177 10.910 -3.892 1.00 0.00 C ATOM 936 CG ASP A 63 -7.251 11.941 -5.000 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.387 11.904 -5.901 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.171 12.784 -4.966 1.00 0.00 O ATOM 0 H ASP A 63 -6.076 8.827 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.068 11.353 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.439 9.931 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.915 11.149 -3.127 1.00 0.00 H new ATOM 943 N THR A 64 -5.936 12.867 -1.929 1.00 0.00 N ATOM 944 CA THR A 64 -5.965 13.651 -0.703 1.00 0.00 C ATOM 945 C THR A 64 -7.295 13.482 0.021 1.00 0.00 C ATOM 946 O THR A 64 -7.323 13.159 1.202 1.00 0.00 O ATOM 947 CB THR A 64 -5.714 15.129 -1.002 1.00 0.00 C ATOM 948 OG1 THR A 64 -5.173 15.294 -2.306 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.761 15.774 -0.021 1.00 0.00 C ATOM 0 H THR A 64 -6.028 13.415 -2.785 1.00 0.00 H new ATOM 0 HA THR A 64 -5.170 13.285 -0.053 1.00 0.00 H new ATOM 0 HB THR A 64 -6.686 15.616 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.021 16.247 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.622 16.822 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.173 15.704 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.800 15.261 -0.056 1.00 0.00 H new ATOM 957 N PRO A 65 -8.424 13.699 -0.674 1.00 0.00 N ATOM 958 CA PRO A 65 -9.745 13.559 -0.069 1.00 0.00 C ATOM 959 C PRO A 65 -10.162 12.098 0.095 1.00 0.00 C ATOM 960 O PRO A 65 -10.332 11.615 1.214 1.00 0.00 O ATOM 961 CB PRO A 65 -10.671 14.282 -1.047 1.00 0.00 C ATOM 962 CG PRO A 65 -9.971 14.250 -2.367 1.00 0.00 C ATOM 963 CD PRO A 65 -8.493 14.091 -2.094 1.00 0.00 C ATOM 0 HA PRO A 65 -9.773 13.971 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.641 13.788 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.855 15.307 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.339 13.425 -2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.161 15.167 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.049 13.332 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.953 15.020 -2.277 1.00 0.00 H new ATOM 971 N GLY A 66 -10.334 11.404 -1.027 1.00 0.00 N ATOM 972 CA GLY A 66 -10.742 10.009 -0.996 1.00 0.00 C ATOM 973 C GLY A 66 -9.965 9.182 0.009 1.00 0.00 C ATOM 974 O GLY A 66 -10.547 8.583 0.914 1.00 0.00 O ATOM 0 H GLY A 66 -10.197 11.786 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.804 9.953 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.614 9.577 -1.989 1.00 0.00 H new ATOM 978 N LEU A 67 -8.646 9.140 -0.153 1.00 0.00 N ATOM 979 CA LEU A 67 -7.790 8.376 0.739 1.00 0.00 C ATOM 980 C LEU A 67 -7.936 8.843 2.184 1.00 0.00 C ATOM 981 O LEU A 67 -8.499 8.132 3.019 1.00 0.00 O ATOM 982 CB LEU A 67 -6.337 8.518 0.283 1.00 0.00 C ATOM 983 CG LEU A 67 -5.619 7.215 -0.058 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.173 6.498 1.208 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.506 6.317 -0.910 1.00 0.00 C ATOM 0 H LEU A 67 -8.148 9.629 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.090 7.329 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.312 9.165 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.777 9.025 1.069 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.729 7.458 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.664 5.572 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.492 7.139 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.044 6.269 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.974 5.394 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.419 6.082 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.761 6.831 -1.837 1.00 0.00 H new ATOM 997 N LEU A 68 -7.426 10.040 2.479 1.00 0.00 N ATOM 998 CA LEU A 68 -7.493 10.591 3.835 1.00 0.00 C ATOM 999 C LEU A 68 -8.877 10.405 4.445 1.00 0.00 C ATOM 1000 O LEU A 68 -9.015 10.251 5.658 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.115 12.074 3.841 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.687 12.378 4.297 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.689 12.000 3.212 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.549 13.848 4.663 1.00 0.00 C ATOM 0 H LEU A 68 -6.964 10.645 1.800 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.775 10.041 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.251 12.472 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.809 12.607 4.491 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.472 11.781 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.678 12.223 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.772 10.935 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.901 12.571 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.527 14.048 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.782 14.463 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.238 14.088 5.472 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.899 10.410 3.599 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.263 10.230 4.070 1.00 0.00 C ATOM 1018 C ASP A 69 -11.523 8.760 4.370 1.00 0.00 C ATOM 1019 O ASP A 69 -11.877 8.397 5.488 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.262 10.734 3.029 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.692 10.691 3.530 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -14.065 11.563 4.344 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.440 9.784 3.110 1.00 0.00 O ATOM 0 H ASP A 69 -9.809 10.536 2.591 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.391 10.809 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.008 11.757 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.178 10.129 2.126 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.338 7.922 3.360 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.550 6.487 3.503 1.00 0.00 C ATOM 1030 C ALA A 70 -10.515 5.842 4.431 1.00 0.00 C ATOM 1031 O ALA A 70 -10.608 4.651 4.731 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.531 5.824 2.135 1.00 0.00 C ATOM 0 H ALA A 70 -11.040 8.212 2.428 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.527 6.338 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.690 4.752 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.323 6.245 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.566 6.000 1.659 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.535 6.624 4.886 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.503 6.107 5.781 1.00 0.00 C ATOM 1040 C LYS A 71 -8.980 6.122 7.229 1.00 0.00 C ATOM 1041 O LYS A 71 -8.961 5.098 7.911 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.224 6.939 5.665 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.426 6.728 4.381 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.485 5.294 3.874 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.489 5.134 2.740 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.297 3.848 2.013 1.00 0.00 N ATOM 0 H LYS A 71 -9.436 7.611 4.650 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.295 5.079 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.488 7.994 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.582 6.709 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.807 7.397 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.386 7.003 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.497 4.990 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.755 4.629 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.502 5.178 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.386 5.965 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.215 3.506 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.655 3.996 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.887 3.143 2.658 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.399 7.297 7.694 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.875 7.459 9.066 1.00 0.00 C ATOM 1062 C VAL A 72 -11.150 6.661 9.311 1.00 0.00 C ATOM 1063 O VAL A 72 -11.285 5.997 10.338 1.00 0.00 O ATOM 1064 CB VAL A 72 -10.134 8.943 9.408 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.821 9.652 9.708 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.881 9.646 8.280 1.00 0.00 C ATOM 0 H VAL A 72 -9.418 8.153 7.139 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.085 7.079 9.714 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.763 8.982 10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.018 10.697 9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.333 9.171 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.170 9.596 8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.049 10.689 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.289 9.598 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.840 9.154 8.117 1.00 0.00 H new ATOM 1076 N GLN A 73 -12.085 6.727 8.371 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.345 6.011 8.497 1.00 0.00 C ATOM 1078 C GLN A 73 -13.100 4.513 8.628 1.00 0.00 C ATOM 1079 O GLN A 73 -13.560 3.879 9.576 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.232 6.297 7.285 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.399 7.780 6.996 1.00 0.00 C ATOM 1082 CD GLN A 73 -15.106 8.518 8.115 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -16.029 7.990 8.739 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.677 9.747 8.378 1.00 0.00 N ATOM 0 H GLN A 73 -11.993 7.270 7.513 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.852 6.356 9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.805 5.809 6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.214 5.854 7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.418 8.227 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.962 7.905 6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.910 10.146 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.115 10.292 9.121 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.375 3.954 7.669 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.067 2.531 7.672 1.00 0.00 C ATOM 1095 C GLU A 74 -11.266 2.141 8.914 1.00 0.00 C ATOM 1096 O GLU A 74 -11.436 1.047 9.450 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.292 2.159 6.405 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.786 0.725 6.392 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.342 0.613 6.842 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -9.079 0.815 8.046 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.476 0.323 5.992 1.00 0.00 O ATOM 0 H GLU A 74 -11.988 4.466 6.876 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.008 1.980 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.935 2.315 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.443 2.835 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.414 0.116 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.882 0.319 5.385 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.388 3.036 9.363 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.561 2.768 10.537 1.00 0.00 C ATOM 1110 C ALA A 75 -10.371 2.856 11.821 1.00 0.00 C ATOM 1111 O ALA A 75 -10.384 1.923 12.625 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.393 3.734 10.604 1.00 0.00 C ATOM 0 H ALA A 75 -10.232 3.948 8.934 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.180 1.751 10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.791 3.516 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.779 3.626 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.769 4.755 10.665 1.00 0.00 H new ATOM 1118 N LEU A 76 -11.040 3.983 12.013 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.844 4.183 13.204 1.00 0.00 C ATOM 1120 C LEU A 76 -13.000 3.189 13.234 1.00 0.00 C ATOM 1121 O LEU A 76 -13.492 2.824 14.301 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.368 5.618 13.255 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.335 6.672 13.667 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.985 8.044 13.757 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.678 6.304 14.992 1.00 0.00 C ATOM 0 H LEU A 76 -11.041 4.768 11.362 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.220 4.013 14.081 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.760 5.880 12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.204 5.659 13.953 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.558 6.704 12.903 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.238 8.782 14.051 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.400 8.314 12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.783 8.020 14.499 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.949 7.068 15.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.439 6.238 15.770 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.175 5.342 14.894 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.424 2.748 12.052 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.513 1.788 11.941 1.00 0.00 C ATOM 1139 C GLU A 77 -14.019 0.381 12.265 1.00 0.00 C ATOM 1140 O GLU A 77 -14.650 -0.348 13.028 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.115 1.824 10.536 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.358 0.964 10.386 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.582 1.768 9.987 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.812 1.937 8.772 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.307 2.233 10.892 1.00 0.00 O ATOM 0 H GLU A 77 -13.028 3.042 11.159 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.286 2.061 12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.363 2.855 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.364 1.491 9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.174 0.194 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.556 0.452 11.327 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.879 0.006 11.683 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.301 -1.314 11.916 1.00 0.00 C ATOM 1154 C VAL A 78 -11.806 -1.457 13.356 1.00 0.00 C ATOM 1155 O VAL A 78 -11.523 -2.563 13.815 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.137 -1.594 10.939 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -9.928 -0.729 11.264 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -10.766 -3.070 10.952 1.00 0.00 C ATOM 0 H VAL A 78 -12.341 0.597 11.049 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.091 -2.045 11.742 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.472 -1.335 9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.125 -0.947 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.202 0.323 11.187 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.590 -0.942 12.278 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.945 -3.245 10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.459 -3.359 11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.629 -3.665 10.651 1.00 0.00 H new