USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 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= -11.4! C(o=-13!,f=-14!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 163:sc= -1.13 (180deg=-0.992) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.14 F(o=-3!,f=-1.1) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -16.5! C(o=-18!,f=-16!) USER MOD Single : A 39 ASN : amide:sc= -0.818 K(o=-0.82,f=-3.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 100:sc= -1.17 USER MOD Single : A 49 MET CE :methyl -123:sc= -0.0849 (180deg=-0.753) USER MOD Single : A 53 MET CE :methyl -163:sc= -0.0574 (180deg=-0.419) USER MOD Single : A 60 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.0016) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.831 K(o=-0.83,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.818 2.641 -0.745 1.00 0.00 N ATOM 363 CA VAL A 26 6.688 4.094 -0.683 1.00 0.00 C ATOM 364 C VAL A 26 5.285 4.484 -0.232 1.00 0.00 C ATOM 365 O VAL A 26 5.112 5.334 0.640 1.00 0.00 O ATOM 366 CB VAL A 26 7.018 4.760 -2.043 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.857 4.670 -3.027 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.436 6.207 -1.836 1.00 0.00 C ATOM 0 HA VAL A 26 7.412 4.456 0.047 1.00 0.00 H new ATOM 0 HB VAL A 26 7.850 4.209 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.137 5.150 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.618 3.623 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.985 5.172 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.665 6.661 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.624 6.756 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.320 6.243 -1.199 1.00 0.00 H new ATOM 378 N LEU A 27 4.290 3.845 -0.830 1.00 0.00 N ATOM 379 CA LEU A 27 2.897 4.100 -0.495 1.00 0.00 C ATOM 380 C LEU A 27 2.678 4.077 1.015 1.00 0.00 C ATOM 381 O LEU A 27 2.167 5.037 1.586 1.00 0.00 O ATOM 382 CB LEU A 27 2.008 3.053 -1.166 1.00 0.00 C ATOM 383 CG LEU A 27 0.890 3.615 -2.039 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.070 3.192 -3.489 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.465 3.170 -1.512 1.00 0.00 C ATOM 0 H LEU A 27 4.424 3.141 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 27 2.634 5.093 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.635 2.405 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.564 2.427 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 27 0.936 4.703 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.261 3.605 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.025 3.563 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.053 2.104 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.253 3.578 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.519 2.081 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.595 3.531 -0.492 1.00 0.00 H new ATOM 397 N GLY A 28 3.065 2.975 1.653 1.00 0.00 N ATOM 398 CA GLY A 28 2.885 2.849 3.090 1.00 0.00 C ATOM 399 C GLY A 28 3.629 3.911 3.871 1.00 0.00 C ATOM 400 O GLY A 28 3.091 4.470 4.828 1.00 0.00 O ATOM 0 H GLY A 28 3.499 2.169 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.822 2.910 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.226 1.864 3.409 1.00 0.00 H new ATOM 404 N GLU A 29 4.858 4.201 3.467 1.00 0.00 N ATOM 405 CA GLU A 29 5.653 5.215 4.144 1.00 0.00 C ATOM 406 C GLU A 29 4.964 6.571 4.053 1.00 0.00 C ATOM 407 O GLU A 29 4.704 7.218 5.068 1.00 0.00 O ATOM 408 CB GLU A 29 7.051 5.293 3.530 1.00 0.00 C ATOM 409 CG GLU A 29 7.762 3.950 3.473 1.00 0.00 C ATOM 410 CD GLU A 29 8.695 3.735 4.649 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.757 4.392 4.694 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.364 2.908 5.526 1.00 0.00 O ATOM 0 H GLU A 29 5.324 3.751 2.679 1.00 0.00 H new ATOM 0 HA GLU A 29 5.748 4.938 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.974 5.698 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.655 5.991 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.021 3.151 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.331 3.883 2.546 1.00 0.00 H new ATOM 419 N ARG A 30 4.662 6.989 2.828 1.00 0.00 N ATOM 420 CA ARG A 30 3.997 8.264 2.598 1.00 0.00 C ATOM 421 C ARG A 30 2.560 8.240 3.118 1.00 0.00 C ATOM 422 O ARG A 30 1.938 9.288 3.289 1.00 0.00 O ATOM 423 CB ARG A 30 4.002 8.609 1.105 1.00 0.00 C ATOM 424 CG ARG A 30 5.364 8.446 0.448 1.00 0.00 C ATOM 425 CD ARG A 30 6.375 9.440 0.995 1.00 0.00 C ATOM 426 NE ARG A 30 7.100 10.129 -0.074 1.00 0.00 N ATOM 427 CZ ARG A 30 6.859 11.382 -0.457 1.00 0.00 C ATOM 428 NH1 ARG A 30 5.909 12.100 0.132 1.00 0.00 N ATOM 429 NH2 ARG A 30 7.570 11.919 -1.438 1.00 0.00 N ATOM 0 H ARG A 30 4.868 6.462 1.979 1.00 0.00 H new ATOM 0 HA ARG A 30 4.549 9.029 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.281 7.973 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.667 9.638 0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.727 7.431 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.267 8.581 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.862 10.174 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.085 8.919 1.637 1.00 0.00 H new ATOM 0 HE ARG A 30 7.838 9.616 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.355 11.693 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.733 13.058 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.299 11.373 -1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.388 12.878 -1.734 1.00 0.00 H new ATOM 443 N LEU A 31 2.029 7.041 3.366 1.00 0.00 N ATOM 444 CA LEU A 31 0.668 6.903 3.857 1.00 0.00 C ATOM 445 C LEU A 31 0.581 7.236 5.342 1.00 0.00 C ATOM 446 O LEU A 31 -0.129 8.152 5.748 1.00 0.00 O ATOM 447 CB LEU A 31 0.172 5.472 3.621 1.00 0.00 C ATOM 448 CG LEU A 31 -1.123 5.363 2.823 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.859 4.851 1.416 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.120 4.462 3.537 1.00 0.00 C ATOM 0 H LEU A 31 2.523 6.159 3.234 1.00 0.00 H new ATOM 0 HA LEU A 31 0.039 7.605 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.950 4.915 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.027 4.989 4.588 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.551 6.362 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.800 4.784 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.188 5.537 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.399 3.864 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.037 4.398 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.693 3.466 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.346 4.876 4.520 1.00 0.00 H new ATOM 462 N TYR A 32 1.303 6.473 6.150 1.00 0.00 N ATOM 463 CA TYR A 32 1.307 6.664 7.594 1.00 0.00 C ATOM 464 C TYR A 32 1.517 8.126 7.970 1.00 0.00 C ATOM 465 O TYR A 32 0.982 8.592 8.970 1.00 0.00 O ATOM 466 CB TYR A 32 2.400 5.793 8.224 1.00 0.00 C ATOM 467 CG TYR A 32 2.258 5.593 9.716 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.612 6.598 10.606 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.781 4.394 10.233 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.490 6.417 11.970 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.657 4.205 11.597 1.00 0.00 C ATOM 472 CZ TYR A 32 2.012 5.220 12.461 1.00 0.00 C ATOM 473 OH TYR A 32 1.889 5.036 13.820 1.00 0.00 O ATOM 0 H TYR A 32 1.898 5.710 5.827 1.00 0.00 H new ATOM 0 HA TYR A 32 0.332 6.365 7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.396 4.818 7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.370 6.246 8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.989 7.536 10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.503 3.598 9.559 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.768 7.209 12.649 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.284 3.268 11.984 1.00 0.00 H new ATOM 0 HH TYR A 32 1.537 4.139 13.998 1.00 0.00 H new ATOM 483 N ASN A 33 2.296 8.847 7.176 1.00 0.00 N ATOM 484 CA ASN A 33 2.565 10.255 7.452 1.00 0.00 C ATOM 485 C ASN A 33 1.326 11.101 7.219 1.00 0.00 C ATOM 486 O ASN A 33 1.090 12.079 7.928 1.00 0.00 O ATOM 487 CB ASN A 33 3.719 10.754 6.572 1.00 0.00 C ATOM 488 CG ASN A 33 3.846 12.268 6.548 1.00 0.00 C ATOM 489 OD1 ASN A 33 2.862 12.945 5.957 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 4.821 12.826 7.056 1.00 0.00 N flip ATOM 0 H ASN A 33 2.752 8.484 6.339 1.00 0.00 H new ATOM 0 HA ASN A 33 2.849 10.349 8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.653 10.324 6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.573 10.392 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.553 12.271 7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.896 13.843 7.033 1.00 0.00 H new ATOM 497 N HIS A 34 0.547 10.742 6.215 1.00 0.00 N ATOM 498 CA HIS A 34 -0.646 11.497 5.903 1.00 0.00 C ATOM 499 C HIS A 34 -1.619 11.452 7.068 1.00 0.00 C ATOM 500 O HIS A 34 -2.255 12.448 7.405 1.00 0.00 O ATOM 501 CB HIS A 34 -1.309 10.958 4.628 1.00 0.00 C ATOM 502 CG HIS A 34 -2.101 9.698 4.805 1.00 0.00 C ATOM 503 ND1 HIS A 34 -3.085 9.398 5.674 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.931 8.573 4.029 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -3.493 8.117 5.422 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.782 7.638 4.426 1.00 0.00 N flip ATOM 0 H HIS A 34 0.719 9.940 5.609 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.361 12.535 5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.967 11.728 4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.534 10.780 3.882 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.460 10.017 6.393 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.218 8.469 3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.270 7.587 5.953 1.00 0.00 H new ATOM 515 N ILE A 35 -1.752 10.266 7.645 1.00 0.00 N ATOM 516 CA ILE A 35 -2.673 10.034 8.755 1.00 0.00 C ATOM 517 C ILE A 35 -2.005 10.123 10.127 1.00 0.00 C ATOM 518 O ILE A 35 -2.673 10.425 11.110 1.00 0.00 O ATOM 519 CB ILE A 35 -3.373 8.659 8.637 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.297 8.423 9.834 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.347 7.540 8.521 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.005 7.088 9.794 1.00 0.00 C ATOM 0 H ILE A 35 -1.228 9.439 7.360 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.408 10.836 8.682 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.978 8.660 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.713 8.489 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.041 9.219 9.872 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.861 6.582 8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.733 7.699 7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.711 7.536 9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.643 6.988 10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.616 7.027 8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.268 6.285 9.788 1.00 0.00 H new ATOM 534 N VAL A 36 -0.708 9.842 10.213 1.00 0.00 N ATOM 535 CA VAL A 36 -0.027 9.887 11.511 1.00 0.00 C ATOM 536 C VAL A 36 -0.376 11.165 12.271 1.00 0.00 C ATOM 537 O VAL A 36 -0.758 11.121 13.437 1.00 0.00 O ATOM 538 CB VAL A 36 1.508 9.770 11.392 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.097 10.959 10.652 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.138 9.643 12.771 1.00 0.00 C ATOM 0 H VAL A 36 -0.116 9.586 9.423 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.385 9.018 12.064 1.00 0.00 H new ATOM 0 HB VAL A 36 1.731 8.872 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.179 10.846 10.585 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.675 11.009 9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.860 11.876 11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.220 9.561 12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.894 10.524 13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.752 8.753 13.267 1.00 0.00 H new ATOM 550 N ALA A 37 -0.246 12.304 11.598 1.00 0.00 N ATOM 551 CA ALA A 37 -0.553 13.590 12.208 1.00 0.00 C ATOM 552 C ALA A 37 -2.060 13.768 12.374 1.00 0.00 C ATOM 553 O ALA A 37 -2.512 14.584 13.177 1.00 0.00 O ATOM 554 CB ALA A 37 0.026 14.723 11.373 1.00 0.00 C ATOM 0 H ALA A 37 0.070 12.361 10.630 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.097 13.615 13.198 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.211 15.678 11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.108 14.610 11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.403 14.693 10.372 1.00 0.00 H new ATOM 560 N ILE A 38 -2.829 13.010 11.598 1.00 0.00 N ATOM 561 CA ILE A 38 -4.290 13.103 11.656 1.00 0.00 C ATOM 562 C ILE A 38 -4.894 12.092 12.629 1.00 0.00 C ATOM 563 O ILE A 38 -5.478 12.471 13.646 1.00 0.00 O ATOM 564 CB ILE A 38 -4.929 12.908 10.265 1.00 0.00 C ATOM 565 CG1 ILE A 38 -4.045 13.530 9.182 1.00 0.00 C ATOM 566 CG2 ILE A 38 -6.326 13.511 10.233 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.696 14.983 9.435 1.00 0.00 C ATOM 0 H ILE A 38 -2.472 12.330 10.927 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.512 14.108 12.015 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.014 11.840 10.067 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.123 12.953 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.554 13.450 8.221 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.763 13.365 9.245 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.950 13.023 10.981 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.267 14.578 10.450 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.068 15.353 8.625 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.611 15.574 9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.158 15.069 10.379 1.00 0.00 H new ATOM 579 N ASN A 39 -4.752 10.808 12.321 1.00 0.00 N ATOM 580 CA ASN A 39 -5.284 9.751 13.176 1.00 0.00 C ATOM 581 C ASN A 39 -4.176 8.792 13.608 1.00 0.00 C ATOM 582 O ASN A 39 -4.049 7.694 13.066 1.00 0.00 O ATOM 583 CB ASN A 39 -6.386 8.979 12.447 1.00 0.00 C ATOM 584 CG ASN A 39 -7.775 9.468 12.810 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.527 9.929 11.951 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.120 9.368 14.087 1.00 0.00 N ATOM 0 H ASN A 39 -4.273 10.473 11.485 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.706 10.217 14.066 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.241 9.074 11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.303 7.919 12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.042 9.680 14.392 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.463 8.979 14.764 1.00 0.00 H new ATOM 593 N PRO A 40 -3.357 9.199 14.589 1.00 0.00 N ATOM 594 CA PRO A 40 -2.252 8.374 15.091 1.00 0.00 C ATOM 595 C PRO A 40 -2.698 6.964 15.467 1.00 0.00 C ATOM 596 O PRO A 40 -1.919 6.015 15.380 1.00 0.00 O ATOM 597 CB PRO A 40 -1.779 9.132 16.333 1.00 0.00 C ATOM 598 CG PRO A 40 -2.176 10.548 16.096 1.00 0.00 C ATOM 599 CD PRO A 40 -3.440 10.497 15.284 1.00 0.00 C ATOM 0 HA PRO A 40 -1.477 8.233 14.337 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.244 8.738 17.237 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.701 9.041 16.464 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.339 11.070 17.039 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.393 11.088 15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.325 10.556 15.917 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.496 11.326 14.579 1.00 0.00 H new ATOM 607 N ALA A 41 -3.951 6.833 15.892 1.00 0.00 N ATOM 608 CA ALA A 41 -4.493 5.536 16.290 1.00 0.00 C ATOM 609 C ALA A 41 -5.213 4.849 15.134 1.00 0.00 C ATOM 610 O ALA A 41 -6.301 4.299 15.308 1.00 0.00 O ATOM 611 CB ALA A 41 -5.433 5.705 17.473 1.00 0.00 C ATOM 0 H ALA A 41 -4.610 7.607 15.970 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.658 4.899 16.583 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.832 4.733 17.762 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.888 6.138 18.312 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.254 6.366 17.194 1.00 0.00 H new ATOM 617 N ALA A 42 -4.600 4.871 13.955 1.00 0.00 N ATOM 618 CA ALA A 42 -5.180 4.238 12.777 1.00 0.00 C ATOM 619 C ALA A 42 -4.107 3.966 11.734 1.00 0.00 C ATOM 620 O ALA A 42 -4.120 2.927 11.076 1.00 0.00 O ATOM 621 CB ALA A 42 -6.285 5.098 12.185 1.00 0.00 C ATOM 0 H ALA A 42 -3.700 5.321 13.790 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.616 3.288 13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.701 4.603 11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.071 5.242 12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.877 6.066 11.896 1.00 0.00 H new ATOM 627 N ALA A 43 -3.176 4.913 11.593 1.00 0.00 N ATOM 628 CA ALA A 43 -2.082 4.791 10.635 1.00 0.00 C ATOM 629 C ALA A 43 -1.570 3.355 10.567 1.00 0.00 C ATOM 630 O ALA A 43 -1.474 2.770 9.490 1.00 0.00 O ATOM 631 CB ALA A 43 -0.948 5.734 11.015 1.00 0.00 C ATOM 0 H ALA A 43 -3.161 5.777 12.135 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.460 5.063 9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.136 5.636 10.294 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.313 6.761 11.013 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.582 5.481 12.010 1.00 0.00 H new ATOM 637 N ALA A 44 -1.248 2.793 11.729 1.00 0.00 N ATOM 638 CA ALA A 44 -0.745 1.426 11.808 1.00 0.00 C ATOM 639 C ALA A 44 -1.637 0.459 11.040 1.00 0.00 C ATOM 640 O ALA A 44 -1.151 -0.460 10.378 1.00 0.00 O ATOM 641 CB ALA A 44 -0.624 0.994 13.261 1.00 0.00 C ATOM 0 H ALA A 44 -1.327 3.265 12.630 1.00 0.00 H new ATOM 0 HA ALA A 44 0.242 1.405 11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.248 -0.028 13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.066 1.658 13.782 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.603 1.042 13.737 1.00 0.00 H new ATOM 647 N LYS A 45 -2.940 0.682 11.119 1.00 0.00 N ATOM 648 CA LYS A 45 -3.897 -0.158 10.416 1.00 0.00 C ATOM 649 C LYS A 45 -4.020 0.300 8.975 1.00 0.00 C ATOM 650 O LYS A 45 -4.032 -0.508 8.047 1.00 0.00 O ATOM 651 CB LYS A 45 -5.268 -0.096 11.095 1.00 0.00 C ATOM 652 CG LYS A 45 -5.466 -1.164 12.153 1.00 0.00 C ATOM 653 CD LYS A 45 -5.893 -2.483 11.535 1.00 0.00 C ATOM 654 CE LYS A 45 -6.034 -3.567 12.589 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.151 -4.734 12.308 1.00 0.00 N ATOM 0 H LYS A 45 -3.359 1.437 11.662 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.540 -1.188 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.395 0.885 11.552 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.045 -0.197 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.539 -1.304 12.709 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.220 -0.835 12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.842 -2.353 11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.161 -2.791 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.790 -3.155 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.071 -3.899 12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.277 -5.451 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.400 -5.143 11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.159 -4.423 12.292 1.00 0.00 H new ATOM 669 N VAL A 46 -4.113 1.607 8.805 1.00 0.00 N ATOM 670 CA VAL A 46 -4.242 2.210 7.492 1.00 0.00 C ATOM 671 C VAL A 46 -3.075 1.839 6.585 1.00 0.00 C ATOM 672 O VAL A 46 -3.266 1.311 5.495 1.00 0.00 O ATOM 673 CB VAL A 46 -4.299 3.740 7.611 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.720 4.359 6.300 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.238 4.161 8.732 1.00 0.00 C ATOM 0 H VAL A 46 -4.101 2.279 9.573 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.165 1.829 7.055 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.300 4.100 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.755 5.443 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.002 4.092 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.707 3.989 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.262 5.249 8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.241 3.788 8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.884 3.749 9.677 1.00 0.00 H new ATOM 685 N THR A 47 -1.869 2.131 7.048 1.00 0.00 N ATOM 686 CA THR A 47 -0.660 1.846 6.285 1.00 0.00 C ATOM 687 C THR A 47 -0.524 0.356 5.984 1.00 0.00 C ATOM 688 O THR A 47 -0.264 -0.034 4.846 1.00 0.00 O ATOM 689 CB THR A 47 0.569 2.335 7.053 1.00 0.00 C ATOM 690 OG1 THR A 47 0.533 3.743 7.207 1.00 0.00 O ATOM 691 CG2 THR A 47 1.881 1.982 6.386 1.00 0.00 C ATOM 0 H THR A 47 -1.700 2.568 7.954 1.00 0.00 H new ATOM 0 HA THR A 47 -0.733 2.375 5.335 1.00 0.00 H new ATOM 0 HB THR A 47 0.525 1.826 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.211 3.966 8.105 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.708 2.361 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.964 0.899 6.296 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.917 2.432 5.394 1.00 0.00 H new ATOM 699 N GLY A 48 -0.672 -0.468 7.013 1.00 0.00 N ATOM 700 CA GLY A 48 -0.532 -1.900 6.842 1.00 0.00 C ATOM 701 C GLY A 48 -1.674 -2.517 6.078 1.00 0.00 C ATOM 702 O GLY A 48 -1.464 -3.182 5.062 1.00 0.00 O ATOM 0 H GLY A 48 -0.887 -0.169 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.402 -2.108 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.461 -2.372 7.822 1.00 0.00 H new ATOM 706 N MET A 49 -2.887 -2.300 6.559 1.00 0.00 N ATOM 707 CA MET A 49 -4.056 -2.853 5.897 1.00 0.00 C ATOM 708 C MET A 49 -4.286 -2.174 4.550 1.00 0.00 C ATOM 709 O MET A 49 -4.470 -2.850 3.543 1.00 0.00 O ATOM 710 CB MET A 49 -5.298 -2.700 6.776 1.00 0.00 C ATOM 711 CG MET A 49 -5.180 -3.394 8.124 1.00 0.00 C ATOM 712 SD MET A 49 -5.148 -5.190 7.978 1.00 0.00 S ATOM 713 CE MET A 49 -3.386 -5.501 8.012 1.00 0.00 C ATOM 0 H MET A 49 -3.087 -1.752 7.395 1.00 0.00 H new ATOM 0 HA MET A 49 -3.875 -3.914 5.728 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.489 -1.639 6.939 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.161 -3.102 6.244 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.272 -3.057 8.624 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.019 -3.099 8.755 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.095 -6.043 7.112 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.850 -4.553 8.054 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.139 -6.097 8.891 1.00 0.00 H new ATOM 723 N LEU A 50 -4.291 -0.835 4.565 1.00 0.00 N ATOM 724 CA LEU A 50 -4.525 -0.011 3.366 1.00 0.00 C ATOM 725 C LEU A 50 -5.290 -0.745 2.264 1.00 0.00 C ATOM 726 O LEU A 50 -6.424 -0.388 1.944 1.00 0.00 O ATOM 727 CB LEU A 50 -3.204 0.503 2.804 1.00 0.00 C ATOM 728 CG LEU A 50 -3.336 1.339 1.530 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.060 2.651 1.815 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.971 1.600 0.923 1.00 0.00 C ATOM 0 H LEU A 50 -4.132 -0.288 5.411 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.148 0.822 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.709 1.103 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.556 -0.349 2.598 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.930 0.775 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.142 3.229 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.057 2.440 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.499 3.223 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.083 2.196 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.352 2.141 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.495 0.651 0.676 1.00 0.00 H new ATOM 742 N LEU A 51 -4.665 -1.763 1.682 1.00 0.00 N ATOM 743 CA LEU A 51 -5.288 -2.537 0.617 1.00 0.00 C ATOM 744 C LEU A 51 -6.412 -3.410 1.159 1.00 0.00 C ATOM 745 O LEU A 51 -6.254 -4.619 1.321 1.00 0.00 O ATOM 746 CB LEU A 51 -4.241 -3.395 -0.096 1.00 0.00 C ATOM 747 CG LEU A 51 -3.264 -2.621 -0.986 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.007 -2.252 -0.212 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.915 -3.426 -2.227 1.00 0.00 C ATOM 0 H LEU A 51 -3.725 -2.071 1.931 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.720 -1.840 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.670 -3.942 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.756 -4.136 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.750 -1.699 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.327 -1.703 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.275 -1.629 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.518 -3.160 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.220 -2.858 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.452 -4.368 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.822 -3.630 -2.795 1.00 0.00 H new ATOM 761 N GLU A 52 -7.553 -2.783 1.439 1.00 0.00 N ATOM 762 CA GLU A 52 -8.713 -3.492 1.965 1.00 0.00 C ATOM 763 C GLU A 52 -9.702 -3.820 0.852 1.00 0.00 C ATOM 764 O GLU A 52 -9.457 -3.524 -0.317 1.00 0.00 O ATOM 765 CB GLU A 52 -9.408 -2.646 3.032 1.00 0.00 C ATOM 766 CG GLU A 52 -8.519 -2.317 4.218 1.00 0.00 C ATOM 767 CD GLU A 52 -8.270 -3.521 5.102 1.00 0.00 C ATOM 768 OE1 GLU A 52 -7.713 -4.520 4.602 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.634 -3.466 6.294 1.00 0.00 O ATOM 0 H GLU A 52 -7.697 -1.782 1.309 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.365 -4.425 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.754 -1.717 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.292 -3.177 3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.566 -1.930 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.982 -1.526 4.808 1.00 0.00 H new ATOM 776 N MET A 53 -10.812 -4.444 1.222 1.00 0.00 N ATOM 777 CA MET A 53 -11.828 -4.815 0.246 1.00 0.00 C ATOM 778 C MET A 53 -12.498 -3.578 -0.347 1.00 0.00 C ATOM 779 O MET A 53 -12.421 -3.337 -1.555 1.00 0.00 O ATOM 780 CB MET A 53 -12.881 -5.714 0.893 1.00 0.00 C ATOM 781 CG MET A 53 -12.499 -7.186 0.920 1.00 0.00 C ATOM 782 SD MET A 53 -12.199 -7.862 -0.724 1.00 0.00 S ATOM 783 CE MET A 53 -13.809 -7.654 -1.477 1.00 0.00 C ATOM 0 H MET A 53 -11.031 -4.703 2.184 1.00 0.00 H new ATOM 0 HA MET A 53 -11.336 -5.360 -0.560 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.057 -5.375 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.822 -5.602 0.354 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.604 -7.313 1.529 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.295 -7.754 1.401 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.879 -8.282 -2.365 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.583 -7.943 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.947 -6.610 -1.759 1.00 0.00 H new ATOM 793 N ASP A 54 -13.146 -2.788 0.503 1.00 0.00 N ATOM 794 CA ASP A 54 -13.820 -1.578 0.052 1.00 0.00 C ATOM 795 C ASP A 54 -12.862 -0.390 0.034 1.00 0.00 C ATOM 796 O ASP A 54 -12.415 0.039 -1.031 1.00 0.00 O ATOM 797 CB ASP A 54 -15.042 -1.284 0.925 1.00 0.00 C ATOM 798 CG ASP A 54 -14.747 -1.313 2.414 1.00 0.00 C ATOM 799 OD1 ASP A 54 -13.839 -2.062 2.828 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.429 -0.585 3.167 1.00 0.00 O ATOM 0 H ASP A 54 -13.218 -2.964 1.505 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.163 -1.742 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.439 -0.304 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.821 -2.014 0.703 1.00 0.00 H new ATOM 805 N ASN A 55 -12.541 0.136 1.210 1.00 0.00 N ATOM 806 CA ASN A 55 -11.631 1.269 1.325 1.00 0.00 C ATOM 807 C ASN A 55 -10.372 1.046 0.491 1.00 0.00 C ATOM 808 O ASN A 55 -9.745 1.998 0.029 1.00 0.00 O ATOM 809 CB ASN A 55 -11.250 1.466 2.788 1.00 0.00 C ATOM 810 CG ASN A 55 -10.208 2.547 2.996 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.348 2.430 3.869 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.280 3.605 2.200 1.00 0.00 N ATOM 0 H ASN A 55 -12.900 -0.206 2.102 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.136 2.159 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.144 1.718 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.872 0.525 3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.605 4.364 2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.010 3.660 1.490 1.00 0.00 H new ATOM 819 N GLY A 56 -10.006 -0.218 0.311 1.00 0.00 N ATOM 820 CA GLY A 56 -8.825 -0.536 -0.458 1.00 0.00 C ATOM 821 C GLY A 56 -8.932 -0.093 -1.901 1.00 0.00 C ATOM 822 O GLY A 56 -8.155 0.745 -2.353 1.00 0.00 O ATOM 0 H GLY A 56 -10.507 -1.024 0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.958 -0.060 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.653 -1.612 -0.424 1.00 0.00 H new ATOM 826 N GLU A 57 -9.892 -0.662 -2.631 1.00 0.00 N ATOM 827 CA GLU A 57 -10.091 -0.319 -4.042 1.00 0.00 C ATOM 828 C GLU A 57 -9.800 1.154 -4.308 1.00 0.00 C ATOM 829 O GLU A 57 -9.037 1.493 -5.213 1.00 0.00 O ATOM 830 CB GLU A 57 -11.518 -0.635 -4.470 1.00 0.00 C ATOM 831 CG GLU A 57 -11.919 -2.084 -4.245 1.00 0.00 C ATOM 832 CD GLU A 57 -11.423 -3.003 -5.345 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.483 -2.611 -6.068 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.976 -4.114 -5.482 1.00 0.00 O ATOM 0 H GLU A 57 -10.543 -1.360 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.392 -0.920 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.203 0.011 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.632 -0.396 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.523 -2.422 -3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.005 -2.151 -4.182 1.00 0.00 H new ATOM 841 N ILE A 58 -10.407 2.024 -3.508 1.00 0.00 N ATOM 842 CA ILE A 58 -10.208 3.461 -3.648 1.00 0.00 C ATOM 843 C ILE A 58 -8.720 3.800 -3.610 1.00 0.00 C ATOM 844 O ILE A 58 -8.225 4.559 -4.442 1.00 0.00 O ATOM 845 CB ILE A 58 -10.945 4.234 -2.532 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.459 4.077 -2.688 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.557 5.708 -2.546 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.105 3.309 -1.554 1.00 0.00 C ATOM 0 H ILE A 58 -11.042 1.758 -2.755 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.620 3.762 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.648 3.814 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.914 5.065 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.669 3.567 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.089 6.232 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.483 5.803 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.822 6.145 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.178 3.236 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.676 2.308 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.926 3.830 -0.613 1.00 0.00 H new ATOM 860 N LEU A 59 -8.019 3.226 -2.634 1.00 0.00 N ATOM 861 CA LEU A 59 -6.584 3.444 -2.461 1.00 0.00 C ATOM 862 C LEU A 59 -5.869 3.550 -3.804 1.00 0.00 C ATOM 863 O LEU A 59 -4.919 4.317 -3.959 1.00 0.00 O ATOM 864 CB LEU A 59 -5.985 2.299 -1.645 1.00 0.00 C ATOM 865 CG LEU A 59 -5.493 1.101 -2.466 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.076 1.338 -2.967 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.557 -0.169 -1.639 1.00 0.00 C ATOM 0 H LEU A 59 -8.429 2.598 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.446 4.387 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.150 2.687 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.734 1.949 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.147 0.986 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.746 0.476 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.057 2.228 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.409 1.480 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.205 -1.010 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.926 -0.061 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.586 -0.350 -1.329 1.00 0.00 H new ATOM 879 N ASN A 60 -6.330 2.760 -4.765 1.00 0.00 N ATOM 880 CA ASN A 60 -5.736 2.745 -6.098 1.00 0.00 C ATOM 881 C ASN A 60 -5.538 4.156 -6.649 1.00 0.00 C ATOM 882 O ASN A 60 -4.684 4.379 -7.508 1.00 0.00 O ATOM 883 CB ASN A 60 -6.611 1.931 -7.053 1.00 0.00 C ATOM 884 CG ASN A 60 -5.904 1.625 -8.359 1.00 0.00 C ATOM 885 OD1 ASN A 60 -6.442 1.862 -9.439 1.00 0.00 O ATOM 886 ND2 ASN A 60 -4.691 1.093 -8.264 1.00 0.00 N ATOM 0 H ASN A 60 -7.115 2.120 -4.647 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.754 2.280 -6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.900 0.997 -6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.529 2.481 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.167 0.864 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.283 0.913 -7.346 1.00 0.00 H new ATOM 893 N LEU A 61 -6.329 5.108 -6.160 1.00 0.00 N ATOM 894 CA LEU A 61 -6.228 6.490 -6.622 1.00 0.00 C ATOM 895 C LEU A 61 -5.799 7.429 -5.495 1.00 0.00 C ATOM 896 O LEU A 61 -6.476 8.417 -5.216 1.00 0.00 O ATOM 897 CB LEU A 61 -7.568 6.952 -7.198 1.00 0.00 C ATOM 898 CG LEU A 61 -8.233 5.968 -8.164 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.674 5.703 -7.755 1.00 0.00 C ATOM 900 CD2 LEU A 61 -8.172 6.500 -9.587 1.00 0.00 C ATOM 0 H LEU A 61 -7.043 4.950 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.465 6.524 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.253 7.146 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.416 7.899 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.688 5.025 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.128 5.001 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.695 5.279 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.233 6.639 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.649 5.789 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.692 7.456 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.131 6.636 -9.880 1.00 0.00 H new ATOM 912 N LEU A 62 -4.678 7.103 -4.844 1.00 0.00 N ATOM 913 CA LEU A 62 -4.145 7.902 -3.733 1.00 0.00 C ATOM 914 C LEU A 62 -4.506 9.386 -3.854 1.00 0.00 C ATOM 915 O LEU A 62 -3.771 10.172 -4.454 1.00 0.00 O ATOM 916 CB LEU A 62 -2.630 7.740 -3.654 1.00 0.00 C ATOM 917 CG LEU A 62 -2.161 6.429 -3.026 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.886 5.938 -3.693 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.954 6.599 -1.531 1.00 0.00 C ATOM 0 H LEU A 62 -4.116 6.282 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.606 7.530 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.217 7.813 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.219 8.570 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.936 5.678 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.570 5.003 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.071 5.773 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.102 6.685 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.620 5.655 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.200 7.366 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.893 6.898 -1.065 1.00 0.00 H new ATOM 931 N ASP A 63 -5.653 9.751 -3.287 1.00 0.00 N ATOM 932 CA ASP A 63 -6.137 11.128 -3.329 1.00 0.00 C ATOM 933 C ASP A 63 -6.001 11.810 -1.970 1.00 0.00 C ATOM 934 O ASP A 63 -5.782 11.156 -0.956 1.00 0.00 O ATOM 935 CB ASP A 63 -7.600 11.151 -3.779 1.00 0.00 C ATOM 936 CG ASP A 63 -7.741 11.310 -5.280 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.640 12.455 -5.770 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.953 10.288 -5.968 1.00 0.00 O ATOM 0 H ASP A 63 -6.268 9.107 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.525 11.678 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.088 10.228 -3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.118 11.970 -3.279 1.00 0.00 H new ATOM 943 N THR A 64 -6.136 13.133 -1.950 1.00 0.00 N ATOM 944 CA THR A 64 -6.027 13.875 -0.699 1.00 0.00 C ATOM 945 C THR A 64 -7.273 13.680 0.155 1.00 0.00 C ATOM 946 O THR A 64 -7.176 13.299 1.316 1.00 0.00 O ATOM 947 CB THR A 64 -5.790 15.364 -0.954 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.927 15.557 -2.061 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.181 16.077 0.234 1.00 0.00 C ATOM 0 H THR A 64 -6.319 13.706 -2.774 1.00 0.00 H new ATOM 0 HA THR A 64 -5.166 13.482 -0.158 1.00 0.00 H new ATOM 0 HB THR A 64 -6.776 15.786 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.791 16.517 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.037 17.130 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.848 15.990 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.219 15.625 0.475 1.00 0.00 H new ATOM 957 N PRO A 65 -8.470 13.931 -0.402 1.00 0.00 N ATOM 958 CA PRO A 65 -9.717 13.767 0.339 1.00 0.00 C ATOM 959 C PRO A 65 -10.122 12.299 0.480 1.00 0.00 C ATOM 960 O PRO A 65 -10.181 11.766 1.588 1.00 0.00 O ATOM 961 CB PRO A 65 -10.739 14.533 -0.500 1.00 0.00 C ATOM 962 CG PRO A 65 -10.197 14.533 -1.891 1.00 0.00 C ATOM 963 CD PRO A 65 -8.699 14.392 -1.786 1.00 0.00 C ATOM 0 HA PRO A 65 -9.633 14.134 1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.717 14.053 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.867 15.550 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.621 13.712 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.461 15.456 -2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.315 13.675 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.196 15.340 -1.977 1.00 0.00 H new ATOM 971 N GLY A 66 -10.408 11.655 -0.650 1.00 0.00 N ATOM 972 CA GLY A 66 -10.813 10.259 -0.639 1.00 0.00 C ATOM 973 C GLY A 66 -9.935 9.391 0.241 1.00 0.00 C ATOM 974 O GLY A 66 -10.415 8.768 1.187 1.00 0.00 O ATOM 0 H GLY A 66 -10.366 12.078 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.845 10.189 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.791 9.873 -1.658 1.00 0.00 H new ATOM 978 N LEU A 67 -8.646 9.345 -0.077 1.00 0.00 N ATOM 979 CA LEU A 67 -7.698 8.541 0.682 1.00 0.00 C ATOM 980 C LEU A 67 -7.720 8.915 2.163 1.00 0.00 C ATOM 981 O LEU A 67 -8.198 8.153 2.999 1.00 0.00 O ATOM 982 CB LEU A 67 -6.295 8.755 0.106 1.00 0.00 C ATOM 983 CG LEU A 67 -5.583 7.508 -0.421 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.923 6.748 0.718 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.548 6.623 -1.198 1.00 0.00 C ATOM 0 H LEU A 67 -8.234 9.857 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.979 7.491 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.365 9.478 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.672 9.204 0.880 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.798 7.822 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.422 5.864 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.192 7.391 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.681 6.443 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.020 5.742 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.363 6.312 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.953 7.180 -2.043 1.00 0.00 H new ATOM 997 N LEU A 68 -7.199 10.095 2.483 1.00 0.00 N ATOM 998 CA LEU A 68 -7.151 10.559 3.869 1.00 0.00 C ATOM 999 C LEU A 68 -8.488 10.354 4.584 1.00 0.00 C ATOM 1000 O LEU A 68 -8.524 10.192 5.804 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.749 12.031 3.930 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.299 12.289 4.342 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.345 11.812 3.258 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.084 13.766 4.637 1.00 0.00 C ATOM 0 H LEU A 68 -6.805 10.747 1.805 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.399 9.960 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.918 12.479 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.407 12.543 4.632 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.092 11.725 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.318 12.003 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.482 10.743 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.550 12.348 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.047 13.932 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.308 14.352 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.743 14.075 5.449 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.582 10.369 3.829 1.00 0.00 N ATOM 1017 CA ASP A 69 -10.904 10.191 4.418 1.00 0.00 C ATOM 1018 C ASP A 69 -11.230 8.712 4.619 1.00 0.00 C ATOM 1019 O ASP A 69 -11.443 8.266 5.742 1.00 0.00 O ATOM 1020 CB ASP A 69 -11.974 10.840 3.536 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.315 10.954 4.237 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.451 10.407 5.351 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.226 11.595 3.672 1.00 0.00 O ATOM 0 H ASP A 69 -9.580 10.501 2.818 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.897 10.676 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.639 11.833 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.093 10.254 2.624 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.256 7.954 3.531 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.555 6.527 3.610 1.00 0.00 C ATOM 1030 C ALA A 70 -10.448 5.765 4.334 1.00 0.00 C ATOM 1031 O ALA A 70 -10.622 4.610 4.718 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.768 5.958 2.215 1.00 0.00 C ATOM 0 H ALA A 70 -11.075 8.299 2.588 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.472 6.406 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.990 4.893 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.602 6.471 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.865 6.101 1.622 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.309 6.420 4.517 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.172 5.814 5.191 1.00 0.00 C ATOM 1040 C LYS A 71 -8.370 5.817 6.702 1.00 0.00 C ATOM 1041 O LYS A 71 -8.300 4.774 7.352 1.00 0.00 O ATOM 1042 CB LYS A 71 -6.901 6.575 4.831 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.366 6.260 3.441 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.953 4.802 3.291 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.071 3.950 2.712 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.530 4.451 1.390 1.00 0.00 N ATOM 0 H LYS A 71 -9.149 7.378 4.205 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.084 4.779 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.098 7.645 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.131 6.345 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.129 6.496 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.509 6.900 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.077 4.738 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.662 4.406 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.726 2.921 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.912 3.936 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.070 3.706 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.136 5.285 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.706 4.713 0.813 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.621 6.997 7.253 1.00 0.00 N ATOM 1061 CA VAL A 72 -8.835 7.137 8.686 1.00 0.00 C ATOM 1062 C VAL A 72 -10.113 6.432 9.116 1.00 0.00 C ATOM 1063 O VAL A 72 -10.131 5.714 10.114 1.00 0.00 O ATOM 1064 CB VAL A 72 -8.911 8.620 9.107 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -7.568 9.307 8.907 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.006 9.344 8.335 1.00 0.00 C ATOM 0 H VAL A 72 -8.681 7.870 6.729 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.980 6.675 9.180 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.159 8.660 10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.645 10.351 9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.811 8.808 9.512 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.285 9.254 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.042 10.388 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.794 9.292 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.967 8.871 8.537 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.183 6.648 8.361 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.474 6.046 8.665 1.00 0.00 C ATOM 1078 C GLN A 73 -12.419 4.522 8.619 1.00 0.00 C ATOM 1079 O GLN A 73 -12.788 3.856 9.585 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.531 6.568 7.693 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.576 8.085 7.629 1.00 0.00 C ATOM 1082 CD GLN A 73 -13.819 8.717 8.985 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -12.882 8.954 9.748 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -15.079 8.991 9.294 1.00 0.00 N ATOM 0 H GLN A 73 -11.181 7.239 7.530 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.742 6.330 9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.329 6.173 6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.510 6.193 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.635 8.456 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.364 8.393 6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.825 8.778 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.303 9.415 10.194 1.00 0.00 H new ATOM 1093 N GLU A 74 -11.967 3.966 7.500 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.886 2.515 7.355 1.00 0.00 C ATOM 1095 C GLU A 74 -11.119 1.885 8.515 1.00 0.00 C ATOM 1096 O GLU A 74 -11.487 0.819 9.005 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.215 2.133 6.035 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.947 0.641 5.908 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.614 0.235 6.507 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.583 0.824 6.123 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -9.602 -0.675 7.361 1.00 0.00 O ATOM 0 H GLU A 74 -11.653 4.493 6.685 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.907 2.133 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.848 2.454 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.273 2.674 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.746 0.089 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.969 0.360 4.855 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.049 2.547 8.938 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.227 2.044 10.031 1.00 0.00 C ATOM 1110 C ALA A 75 -9.872 2.322 11.382 1.00 0.00 C ATOM 1111 O ALA A 75 -9.765 1.518 12.306 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.842 2.660 9.972 1.00 0.00 C ATOM 0 H ALA A 75 -9.731 3.431 8.542 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.141 0.963 9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.238 2.276 10.794 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.370 2.403 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.922 3.744 10.056 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.542 3.463 11.495 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.200 3.829 12.741 1.00 0.00 C ATOM 1120 C LEU A 76 -12.465 3.001 12.937 1.00 0.00 C ATOM 1121 O LEU A 76 -12.828 2.658 14.062 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.536 5.324 12.754 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.787 6.159 13.797 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.307 7.589 13.806 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.912 5.539 15.183 1.00 0.00 C ATOM 0 H LEU A 76 -10.643 4.146 10.744 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.516 3.622 13.564 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.326 5.734 11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.607 5.437 12.925 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.731 6.173 13.526 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.764 8.169 14.553 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.160 8.036 12.823 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.370 7.588 14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.372 6.151 15.905 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.964 5.488 15.465 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.490 4.534 15.171 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.127 2.678 11.830 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.349 1.884 11.871 1.00 0.00 C ATOM 1139 C GLU A 77 -14.025 0.423 12.164 1.00 0.00 C ATOM 1140 O GLU A 77 -14.761 -0.253 12.884 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.103 2.000 10.543 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.601 2.200 10.710 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.006 3.658 10.641 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.191 4.171 9.517 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.137 4.288 11.711 1.00 0.00 O ATOM 0 H GLU A 77 -12.836 2.955 10.892 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.983 2.268 12.670 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.694 2.835 9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.928 1.099 9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.127 1.644 9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.915 1.785 11.668 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.918 -0.055 11.604 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.497 -1.435 11.807 1.00 0.00 C ATOM 1154 C VAL A 78 -11.657 -1.570 13.073 1.00 0.00 C ATOM 1155 O VAL A 78 -11.829 -2.511 13.846 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.686 -1.964 10.604 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.368 -1.217 10.469 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -11.448 -3.462 10.739 1.00 0.00 C ATOM 0 H VAL A 78 -12.298 0.493 11.007 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.404 -2.030 11.909 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.265 -1.789 9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.814 -1.607 9.615 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.565 -0.155 10.319 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.779 -1.352 11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.875 -3.818 9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.892 -3.661 11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.406 -3.981 10.776 1.00 0.00 H new