USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 586 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 82 ASN :FLIP amide:sc= 0.118 X(o=-0.76,f=-0.54) USER MOD Set 1.2: A 129 GLN : amide:sc= -0.663 X(o=-0.54,f=-0.76) USER MOD Set 2.1: A 63 THR OG1 : rot -43:sc= 0.511 USER MOD Set 2.2: A 66 THR OG1 : rot 149:sc= 0.619 USER MOD Set 3.1: A 55 TYR OH : rot 34:sc= 1.22 USER MOD Set 3.2: A 75 SER OG : rot 83:sc= 1.12 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -62:sc= 1.22 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -111:sc= -1.48 (180deg=-2.31) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 77 MET CE :methyl 139:sc= -1.04 (180deg=-3.1!) USER MOD Single : A 78 GLN : amide:sc= 0.161 K(o=0.16,f=-4.1!) USER MOD Single : A 80 SER OG : rot 180:sc= -1.05 USER MOD Single : A 81 TYR OH : rot -150:sc= -1.79! USER MOD Single : A 85 SER OG : rot 180:sc=-0.00147 USER MOD Single : A 87 TYR OH : rot 30:sc= -0.0437 USER MOD Single : A 88 THR OG1 : rot 94:sc= 0.0674 USER MOD Single : A 94 SER OG : rot 87:sc= 0.283 USER MOD Single : A 97 SER OG : rot 180:sc= -0.011 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 100 SER OG : rot 180:sc= 0.26 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 103 GLN : amide:sc= -1.05 K(o=-1,f=-5.6!) USER MOD Single : A 106 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 109 SER OG : rot 79:sc= 1.84 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 115 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 118 SER OG : rot 14:sc= 0.0522 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.5!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.625 -11.655 -1.396 1.00 10.00 N ATOM 511 CA TYR A 53 0.445 -10.415 -2.131 1.00 10.00 C ATOM 512 C TYR A 53 1.779 -9.956 -2.711 1.00 10.00 C ATOM 513 O TYR A 53 2.742 -9.744 -1.972 1.00 10.00 O ATOM 514 CB TYR A 53 -0.134 -9.344 -1.197 1.00 10.00 C ATOM 515 CG TYR A 53 -0.142 -7.945 -1.771 1.00 10.00 C ATOM 516 CD1 TYR A 53 -0.735 -7.678 -2.995 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.439 -6.890 -1.079 1.00 10.00 C ATOM 518 CE1 TYR A 53 -0.743 -6.400 -3.517 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.432 -5.609 -1.596 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.161 -5.369 -2.813 1.00 10.00 C ATOM 521 OH TYR A 53 -0.172 -4.093 -3.331 1.00 10.00 O ATOM 0 HA TYR A 53 -0.251 -10.578 -2.954 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -1.155 -9.622 -0.937 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.441 -9.339 -0.271 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.198 -8.482 -3.549 1.00 10.00 H new ATOM 0 HD2 TYR A 53 0.904 -7.074 -0.122 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.204 -6.209 -4.475 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.890 -4.800 -1.047 1.00 10.00 H new ATOM 0 HH TYR A 53 0.279 -3.484 -2.710 1.00 10.00 H new ATOM 531 N THR A 54 1.833 -9.838 -4.030 1.00 10.00 N ATOM 532 CA THR A 54 3.038 -9.399 -4.714 1.00 10.00 C ATOM 533 C THR A 54 3.213 -7.889 -4.584 1.00 10.00 C ATOM 534 O THR A 54 2.336 -7.111 -4.967 1.00 10.00 O ATOM 535 CB THR A 54 3.008 -9.778 -6.206 1.00 10.00 C ATOM 536 OG1 THR A 54 2.773 -11.188 -6.353 1.00 10.00 O ATOM 537 CG2 THR A 54 4.315 -9.403 -6.890 1.00 10.00 C ATOM 0 H THR A 54 1.050 -10.042 -4.650 1.00 10.00 H new ATOM 0 HA THR A 54 3.879 -9.905 -4.240 1.00 10.00 H new ATOM 0 HB THR A 54 2.198 -9.224 -6.679 1.00 10.00 H new ATOM 0 HG1 THR A 54 2.754 -11.419 -7.305 1.00 10.00 H new ATOM 0 HG21 THR A 54 4.268 -9.681 -7.943 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.474 -8.328 -6.806 1.00 10.00 H new ATOM 0 HG23 THR A 54 5.140 -9.931 -6.412 1.00 10.00 H new ATOM 545 N TYR A 55 4.348 -7.492 -4.040 1.00 10.00 N ATOM 546 CA TYR A 55 4.661 -6.087 -3.849 1.00 10.00 C ATOM 547 C TYR A 55 5.378 -5.543 -5.075 1.00 10.00 C ATOM 548 O TYR A 55 6.426 -6.062 -5.470 1.00 10.00 O ATOM 549 CB TYR A 55 5.539 -5.902 -2.612 1.00 10.00 C ATOM 550 CG TYR A 55 4.895 -6.386 -1.336 1.00 10.00 C ATOM 551 CD1 TYR A 55 4.001 -5.581 -0.642 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.178 -7.644 -0.826 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.409 -6.017 0.525 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.588 -8.089 0.339 1.00 10.00 C ATOM 555 CZ TYR A 55 3.703 -7.273 1.010 1.00 10.00 C ATOM 556 OH TYR A 55 3.112 -7.712 2.170 1.00 10.00 O ATOM 0 H TYR A 55 5.076 -8.130 -3.719 1.00 10.00 H new ATOM 0 HA TYR A 55 3.730 -5.539 -3.705 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.478 -6.435 -2.760 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.786 -4.846 -2.507 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.766 -4.598 -1.022 1.00 10.00 H new ATOM 0 HD2 TYR A 55 5.871 -8.286 -1.349 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.719 -5.378 1.056 1.00 10.00 H new ATOM 0 HE2 TYR A 55 4.818 -9.072 0.723 1.00 10.00 H new ATOM 0 HH TYR A 55 2.207 -7.343 2.236 1.00 10.00 H new ATOM 566 N GLN A 56 4.802 -4.514 -5.680 1.00 10.00 N ATOM 567 CA GLN A 56 5.386 -3.898 -6.864 1.00 10.00 C ATOM 568 C GLN A 56 4.988 -2.430 -6.959 1.00 10.00 C ATOM 569 O GLN A 56 3.948 -2.027 -6.436 1.00 10.00 O ATOM 570 CB GLN A 56 4.941 -4.645 -8.127 1.00 10.00 C ATOM 571 CG GLN A 56 3.435 -4.673 -8.325 1.00 10.00 C ATOM 572 CD GLN A 56 3.016 -5.548 -9.489 1.00 10.00 C ATOM 573 OE1 GLN A 56 2.726 -6.733 -9.318 1.00 10.00 O ATOM 574 NE2 GLN A 56 2.987 -4.975 -10.681 1.00 10.00 N ATOM 0 H GLN A 56 3.929 -4.087 -5.370 1.00 10.00 H new ATOM 0 HA GLN A 56 6.471 -3.959 -6.780 1.00 10.00 H new ATOM 0 HB2 GLN A 56 5.404 -4.177 -8.996 1.00 10.00 H new ATOM 0 HB3 GLN A 56 5.311 -5.669 -8.081 1.00 10.00 H new ATOM 0 HG2 GLN A 56 2.959 -5.035 -7.414 1.00 10.00 H new ATOM 0 HG3 GLN A 56 3.075 -3.658 -8.491 1.00 10.00 H new ATOM 0 HE21 GLN A 56 3.235 -3.990 -10.780 1.00 10.00 H new ATOM 0 HE22 GLN A 56 2.717 -5.518 -11.501 1.00 10.00 H new ATOM 583 N ALA A 57 5.830 -1.635 -7.606 1.00 10.00 N ATOM 584 CA ALA A 57 5.552 -0.219 -7.785 1.00 10.00 C ATOM 585 C ALA A 57 4.699 -0.018 -9.029 1.00 10.00 C ATOM 586 O ALA A 57 5.094 -0.405 -10.133 1.00 10.00 O ATOM 587 CB ALA A 57 6.845 0.577 -7.886 1.00 10.00 C ATOM 0 H ALA A 57 6.710 -1.948 -8.015 1.00 10.00 H new ATOM 0 HA ALA A 57 5.003 0.145 -6.916 1.00 10.00 H new ATOM 0 HB1 ALA A 57 6.612 1.633 -8.020 1.00 10.00 H new ATOM 0 HB2 ALA A 57 7.425 0.446 -6.973 1.00 10.00 H new ATOM 0 HB3 ALA A 57 7.425 0.223 -8.738 1.00 10.00 H new ATOM 593 N THR A 58 3.528 0.572 -8.857 1.00 10.00 N ATOM 594 CA THR A 58 2.623 0.790 -9.973 1.00 10.00 C ATOM 595 C THR A 58 2.494 2.275 -10.301 1.00 10.00 C ATOM 596 O THR A 58 2.687 3.130 -9.434 1.00 10.00 O ATOM 597 CB THR A 58 1.225 0.208 -9.672 1.00 10.00 C ATOM 598 OG1 THR A 58 0.613 0.923 -8.592 1.00 10.00 O ATOM 599 CG2 THR A 58 1.313 -1.268 -9.316 1.00 10.00 C ATOM 0 H THR A 58 3.182 0.908 -7.958 1.00 10.00 H new ATOM 0 HA THR A 58 3.047 0.276 -10.836 1.00 10.00 H new ATOM 0 HB THR A 58 0.617 0.315 -10.571 1.00 10.00 H new ATOM 0 HG1 THR A 58 1.157 0.823 -7.783 1.00 10.00 H new ATOM 0 HG21 THR A 58 0.314 -1.652 -9.109 1.00 10.00 H new ATOM 0 HG22 THR A 58 1.748 -1.818 -10.150 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.940 -1.393 -8.433 1.00 10.00 H new ATOM 607 N PRO A 59 2.153 2.607 -11.560 1.00 10.00 N ATOM 608 CA PRO A 59 1.982 3.998 -11.995 1.00 10.00 C ATOM 609 C PRO A 59 0.795 4.667 -11.305 1.00 10.00 C ATOM 610 O PRO A 59 0.612 5.881 -11.390 1.00 10.00 O ATOM 611 CB PRO A 59 1.733 3.879 -13.502 1.00 10.00 C ATOM 612 CG PRO A 59 1.229 2.493 -13.697 1.00 10.00 C ATOM 613 CD PRO A 59 1.926 1.656 -12.664 1.00 10.00 C ATOM 0 HA PRO A 59 2.846 4.615 -11.748 1.00 10.00 H new ATOM 0 HB2 PRO A 59 1.005 4.616 -13.842 1.00 10.00 H new ATOM 0 HB3 PRO A 59 2.648 4.050 -14.069 1.00 10.00 H new ATOM 0 HG2 PRO A 59 0.147 2.449 -13.571 1.00 10.00 H new ATOM 0 HG3 PRO A 59 1.448 2.135 -14.703 1.00 10.00 H new ATOM 0 HD2 PRO A 59 1.313 0.812 -12.349 1.00 10.00 H new ATOM 0 HD3 PRO A 59 2.863 1.246 -13.042 1.00 10.00 H new ATOM 621 N MET A 60 -0.006 3.860 -10.616 1.00 10.00 N ATOM 622 CA MET A 60 -1.172 4.354 -9.894 1.00 10.00 C ATOM 623 C MET A 60 -0.756 4.902 -8.537 1.00 10.00 C ATOM 624 O MET A 60 -1.493 5.660 -7.902 1.00 10.00 O ATOM 625 CB MET A 60 -2.201 3.235 -9.714 1.00 10.00 C ATOM 626 CG MET A 60 -2.646 2.601 -11.021 1.00 10.00 C ATOM 627 SD MET A 60 -3.225 3.815 -12.223 1.00 10.00 S ATOM 628 CE MET A 60 -3.413 2.783 -13.676 1.00 10.00 C ATOM 0 H MET A 60 0.134 2.852 -10.543 1.00 10.00 H new ATOM 0 HA MET A 60 -1.626 5.157 -10.476 1.00 10.00 H new ATOM 0 HB2 MET A 60 -1.777 2.463 -9.071 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.074 3.635 -9.198 1.00 10.00 H new ATOM 0 HG2 MET A 60 -1.815 2.040 -11.449 1.00 10.00 H new ATOM 0 HG3 MET A 60 -3.444 1.886 -10.820 1.00 10.00 H new ATOM 0 HE1 MET A 60 -3.766 3.390 -14.510 1.00 10.00 H new ATOM 0 HE2 MET A 60 -2.452 2.338 -13.933 1.00 10.00 H new ATOM 0 HE3 MET A 60 -4.135 1.993 -13.470 1.00 10.00 H new ATOM 638 N ASP A 61 0.429 4.507 -8.097 1.00 10.00 N ATOM 639 CA ASP A 61 0.962 4.957 -6.821 1.00 10.00 C ATOM 640 C ASP A 61 1.533 6.355 -6.973 1.00 10.00 C ATOM 641 O ASP A 61 1.192 7.270 -6.225 1.00 10.00 O ATOM 642 CB ASP A 61 2.048 3.999 -6.323 1.00 10.00 C ATOM 643 CG ASP A 61 1.524 2.600 -6.068 1.00 10.00 C ATOM 644 OD1 ASP A 61 0.519 2.464 -5.344 1.00 10.00 O ATOM 645 OD2 ASP A 61 2.107 1.629 -6.599 1.00 10.00 O ATOM 0 H ASP A 61 1.042 3.872 -8.608 1.00 10.00 H new ATOM 0 HA ASP A 61 0.155 4.973 -6.089 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.851 3.953 -7.059 1.00 10.00 H new ATOM 0 HB3 ASP A 61 2.480 4.393 -5.404 1.00 10.00 H new ATOM 650 N GLY A 62 2.410 6.508 -7.952 1.00 10.00 N ATOM 651 CA GLY A 62 3.014 7.795 -8.216 1.00 10.00 C ATOM 652 C GLY A 62 4.329 7.985 -7.496 1.00 10.00 C ATOM 653 O GLY A 62 5.389 8.043 -8.122 1.00 10.00 O ATOM 0 H GLY A 62 2.716 5.758 -8.572 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.174 7.903 -9.289 1.00 10.00 H new ATOM 0 HA3 GLY A 62 2.324 8.583 -7.916 1.00 10.00 H new ATOM 657 N THR A 63 4.272 8.067 -6.179 1.00 10.00 N ATOM 658 CA THR A 63 5.471 8.267 -5.387 1.00 10.00 C ATOM 659 C THR A 63 5.710 7.106 -4.434 1.00 10.00 C ATOM 660 O THR A 63 4.845 6.250 -4.255 1.00 10.00 O ATOM 661 CB THR A 63 5.391 9.578 -4.576 1.00 10.00 C ATOM 662 OG1 THR A 63 4.433 9.449 -3.516 1.00 10.00 O ATOM 663 CG2 THR A 63 4.998 10.740 -5.471 1.00 10.00 C ATOM 0 H THR A 63 3.411 7.998 -5.637 1.00 10.00 H new ATOM 0 HA THR A 63 6.304 8.327 -6.087 1.00 10.00 H new ATOM 0 HB THR A 63 6.376 9.774 -4.153 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.629 9.001 -3.854 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.947 11.654 -4.879 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.741 10.859 -6.260 1.00 10.00 H new ATOM 0 HG23 THR A 63 4.023 10.542 -5.917 1.00 10.00 H new ATOM 671 N LEU A 64 6.892 7.094 -3.829 1.00 10.00 N ATOM 672 CA LEU A 64 7.280 6.064 -2.878 1.00 10.00 C ATOM 673 C LEU A 64 6.317 6.031 -1.698 1.00 10.00 C ATOM 674 O LEU A 64 5.996 4.965 -1.174 1.00 10.00 O ATOM 675 CB LEU A 64 8.701 6.330 -2.378 1.00 10.00 C ATOM 676 CG LEU A 64 9.243 5.301 -1.388 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.496 3.972 -2.085 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.511 5.813 -0.724 1.00 10.00 C ATOM 0 H LEU A 64 7.609 7.802 -3.986 1.00 10.00 H new ATOM 0 HA LEU A 64 7.246 5.098 -3.381 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.370 6.372 -3.238 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.726 7.313 -1.907 1.00 10.00 H new ATOM 0 HG LEU A 64 8.494 5.142 -0.612 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.882 3.251 -1.364 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.563 3.599 -2.507 1.00 10.00 H new ATOM 0 HD13 LEU A 64 10.225 4.113 -2.883 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.882 5.066 -0.022 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.268 6.004 -1.484 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.294 6.737 -0.188 1.00 10.00 H new ATOM 690 N LYS A 65 5.854 7.209 -1.298 1.00 10.00 N ATOM 691 CA LYS A 65 4.931 7.335 -0.182 1.00 10.00 C ATOM 692 C LYS A 65 3.637 6.586 -0.472 1.00 10.00 C ATOM 693 O LYS A 65 3.266 5.670 0.258 1.00 10.00 O ATOM 694 CB LYS A 65 4.645 8.812 0.100 1.00 10.00 C ATOM 695 CG LYS A 65 3.721 9.046 1.282 1.00 10.00 C ATOM 696 CD LYS A 65 3.541 10.529 1.570 1.00 10.00 C ATOM 697 CE LYS A 65 4.720 11.098 2.345 1.00 10.00 C ATOM 698 NZ LYS A 65 4.433 12.452 2.883 1.00 10.00 N ATOM 0 H LYS A 65 6.106 8.095 -1.735 1.00 10.00 H new ATOM 0 HA LYS A 65 5.390 6.893 0.702 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.589 9.326 0.282 1.00 10.00 H new ATOM 0 HB3 LYS A 65 4.203 9.262 -0.789 1.00 10.00 H new ATOM 0 HG2 LYS A 65 2.750 8.594 1.080 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.126 8.550 2.164 1.00 10.00 H new ATOM 0 HD2 LYS A 65 3.427 11.071 0.631 1.00 10.00 H new ATOM 0 HD3 LYS A 65 2.624 10.681 2.139 1.00 10.00 H new ATOM 0 HE2 LYS A 65 4.971 10.427 3.167 1.00 10.00 H new ATOM 0 HE3 LYS A 65 5.593 11.145 1.694 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 5.263 12.802 3.404 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 4.219 13.099 2.098 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 3.616 12.405 3.525 1.00 10.00 H new ATOM 712 N THR A 66 2.974 6.960 -1.557 1.00 10.00 N ATOM 713 CA THR A 66 1.724 6.329 -1.951 1.00 10.00 C ATOM 714 C THR A 66 1.932 4.853 -2.282 1.00 10.00 C ATOM 715 O THR A 66 1.053 4.019 -2.043 1.00 10.00 O ATOM 716 CB THR A 66 1.130 7.038 -3.178 1.00 10.00 C ATOM 717 OG1 THR A 66 1.810 8.282 -3.392 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.355 7.305 -2.997 1.00 10.00 C ATOM 0 H THR A 66 3.284 7.703 -2.184 1.00 10.00 H new ATOM 0 HA THR A 66 1.036 6.410 -1.110 1.00 10.00 H new ATOM 0 HB THR A 66 1.261 6.385 -4.041 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.829 8.484 -4.351 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.745 7.807 -3.882 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.880 6.360 -2.855 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.507 7.939 -2.124 1.00 10.00 H new ATOM 726 N MET A 67 3.102 4.544 -2.827 1.00 10.00 N ATOM 727 CA MET A 67 3.448 3.181 -3.207 1.00 10.00 C ATOM 728 C MET A 67 3.488 2.262 -1.988 1.00 10.00 C ATOM 729 O MET A 67 2.795 1.243 -1.942 1.00 10.00 O ATOM 730 CB MET A 67 4.803 3.176 -3.919 1.00 10.00 C ATOM 731 CG MET A 67 4.941 2.101 -4.979 1.00 10.00 C ATOM 732 SD MET A 67 5.775 0.630 -4.372 1.00 10.00 S ATOM 733 CE MET A 67 7.433 1.253 -4.114 1.00 10.00 C ATOM 0 H MET A 67 3.834 5.228 -3.017 1.00 10.00 H new ATOM 0 HA MET A 67 2.681 2.804 -3.883 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.962 4.150 -4.382 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.591 3.043 -3.177 1.00 10.00 H new ATOM 0 HG2 MET A 67 3.951 1.828 -5.344 1.00 10.00 H new ATOM 0 HG3 MET A 67 5.494 2.503 -5.828 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.107 0.807 -4.845 1.00 10.00 H new ATOM 0 HE2 MET A 67 7.437 2.337 -4.231 1.00 10.00 H new ATOM 0 HE3 MET A 67 7.766 0.996 -3.109 1.00 10.00 H new ATOM 743 N LEU A 68 4.278 2.641 -0.991 1.00 10.00 N ATOM 744 CA LEU A 68 4.407 1.854 0.223 1.00 10.00 C ATOM 745 C LEU A 68 3.121 1.873 1.031 1.00 10.00 C ATOM 746 O LEU A 68 2.799 0.903 1.720 1.00 10.00 O ATOM 747 CB LEU A 68 5.572 2.366 1.063 1.00 10.00 C ATOM 748 CG LEU A 68 6.888 1.626 0.835 1.00 10.00 C ATOM 749 CD1 LEU A 68 7.346 1.768 -0.604 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.958 2.133 1.781 1.00 10.00 C ATOM 0 H LEU A 68 4.840 3.492 -1.002 1.00 10.00 H new ATOM 0 HA LEU A 68 4.606 0.821 -0.064 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.722 3.424 0.847 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.305 2.290 2.117 1.00 10.00 H new ATOM 0 HG LEU A 68 6.719 0.569 1.038 1.00 10.00 H new ATOM 0 HD11 LEU A 68 8.285 1.232 -0.741 1.00 10.00 H new ATOM 0 HD12 LEU A 68 6.590 1.351 -1.269 1.00 10.00 H new ATOM 0 HD13 LEU A 68 7.492 2.823 -0.837 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.888 1.593 1.602 1.00 10.00 H new ATOM 0 HD22 LEU A 68 8.119 3.198 1.612 1.00 10.00 H new ATOM 0 HD23 LEU A 68 7.638 1.974 2.811 1.00 10.00 H new ATOM 762 N GLU A 69 2.391 2.981 0.949 1.00 10.00 N ATOM 763 CA GLU A 69 1.122 3.108 1.653 1.00 10.00 C ATOM 764 C GLU A 69 0.179 1.994 1.217 1.00 10.00 C ATOM 765 O GLU A 69 -0.477 1.360 2.043 1.00 10.00 O ATOM 766 CB GLU A 69 0.485 4.469 1.375 1.00 10.00 C ATOM 767 CG GLU A 69 0.884 5.547 2.371 1.00 10.00 C ATOM 768 CD GLU A 69 -0.145 5.750 3.464 1.00 10.00 C ATOM 769 OE1 GLU A 69 -0.858 4.783 3.809 1.00 10.00 O ATOM 770 OE2 GLU A 69 -0.255 6.884 3.973 1.00 10.00 O ATOM 0 H GLU A 69 2.656 3.801 0.403 1.00 10.00 H new ATOM 0 HA GLU A 69 1.307 3.027 2.724 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.764 4.792 0.372 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.600 4.361 1.385 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.839 5.281 2.823 1.00 10.00 H new ATOM 0 HG3 GLU A 69 1.033 6.487 1.840 1.00 10.00 H new ATOM 777 N ARG A 70 0.146 1.745 -0.088 1.00 10.00 N ATOM 778 CA ARG A 70 -0.699 0.702 -0.651 1.00 10.00 C ATOM 779 C ARG A 70 -0.188 -0.671 -0.230 1.00 10.00 C ATOM 780 O ARG A 70 -0.973 -1.552 0.128 1.00 10.00 O ATOM 781 CB ARG A 70 -0.733 0.804 -2.177 1.00 10.00 C ATOM 782 CG ARG A 70 -1.966 0.165 -2.805 1.00 10.00 C ATOM 783 CD ARG A 70 -3.135 1.139 -2.870 1.00 10.00 C ATOM 784 NE ARG A 70 -3.611 1.525 -1.540 1.00 10.00 N ATOM 785 CZ ARG A 70 -3.543 2.765 -1.052 1.00 10.00 C ATOM 786 NH1 ARG A 70 -3.021 3.745 -1.777 1.00 10.00 N ATOM 787 NH2 ARG A 70 -4.000 3.019 0.166 1.00 10.00 N ATOM 0 H ARG A 70 0.698 2.255 -0.777 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.712 0.835 -0.272 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -0.693 1.855 -2.463 1.00 10.00 H new ATOM 0 HB3 ARG A 70 0.159 0.329 -2.584 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -1.724 -0.181 -3.810 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -2.255 -0.713 -2.227 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.832 2.031 -3.418 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -3.953 0.684 -3.429 1.00 10.00 H new ATOM 0 HE ARG A 70 -4.020 0.801 -0.950 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.668 3.553 -2.715 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -2.973 4.690 -1.397 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -4.402 2.268 0.727 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -3.950 3.966 0.542 1.00 10.00 H new ATOM 801 N TRP A 71 1.135 -0.832 -0.273 1.00 10.00 N ATOM 802 CA TRP A 71 1.789 -2.082 0.110 1.00 10.00 C ATOM 803 C TRP A 71 1.400 -2.480 1.525 1.00 10.00 C ATOM 804 O TRP A 71 0.894 -3.581 1.769 1.00 10.00 O ATOM 805 CB TRP A 71 3.313 -1.922 0.060 1.00 10.00 C ATOM 806 CG TRP A 71 3.913 -2.049 -1.303 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.267 -2.002 -2.503 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.298 -2.248 -1.598 1.00 10.00 C ATOM 809 NE1 TRP A 71 4.169 -2.159 -3.528 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.425 -2.312 -2.997 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.444 -2.379 -0.809 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.654 -2.505 -3.624 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.663 -2.564 -1.433 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.760 -2.625 -2.828 1.00 10.00 C ATOM 0 H TRP A 71 1.781 -0.102 -0.573 1.00 10.00 H new ATOM 0 HA TRP A 71 1.468 -2.852 -0.592 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.575 -0.946 0.467 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.764 -2.671 0.711 1.00 10.00 H new ATOM 0 HD1 TRP A 71 2.204 -1.862 -2.629 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.942 -2.161 -4.522 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.378 -2.336 0.268 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.731 -2.558 -4.700 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.556 -2.663 -0.834 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.728 -2.770 -3.285 1.00 10.00 H new ATOM 825 N ALA A 72 1.633 -1.561 2.451 1.00 10.00 N ATOM 826 CA ALA A 72 1.341 -1.789 3.850 1.00 10.00 C ATOM 827 C ALA A 72 -0.153 -1.960 4.093 1.00 10.00 C ATOM 828 O ALA A 72 -0.562 -2.882 4.789 1.00 10.00 O ATOM 829 CB ALA A 72 1.893 -0.650 4.691 1.00 10.00 C ATOM 0 H ALA A 72 2.028 -0.642 2.250 1.00 10.00 H new ATOM 0 HA ALA A 72 1.827 -2.718 4.147 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.668 -0.831 5.742 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.973 -0.589 4.557 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.435 0.288 4.379 1.00 10.00 H new ATOM 835 N ALA A 73 -0.963 -1.094 3.501 1.00 10.00 N ATOM 836 CA ALA A 73 -2.411 -1.155 3.684 1.00 10.00 C ATOM 837 C ALA A 73 -2.989 -2.486 3.214 1.00 10.00 C ATOM 838 O ALA A 73 -3.849 -3.062 3.878 1.00 10.00 O ATOM 839 CB ALA A 73 -3.091 -0.004 2.963 1.00 10.00 C ATOM 0 H ALA A 73 -0.646 -0.341 2.890 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.605 -1.069 4.753 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.169 -0.068 3.112 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.725 0.942 3.362 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.868 -0.059 1.898 1.00 10.00 H new ATOM 845 N ASP A 74 -2.495 -2.989 2.088 1.00 10.00 N ATOM 846 CA ASP A 74 -2.990 -4.249 1.532 1.00 10.00 C ATOM 847 C ASP A 74 -2.654 -5.432 2.439 1.00 10.00 C ATOM 848 O ASP A 74 -3.374 -6.431 2.472 1.00 10.00 O ATOM 849 CB ASP A 74 -2.410 -4.485 0.136 1.00 10.00 C ATOM 850 CG ASP A 74 -3.292 -5.380 -0.713 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.406 -6.580 -0.407 1.00 10.00 O ATOM 852 OD2 ASP A 74 -3.885 -4.881 -1.693 1.00 10.00 O ATOM 0 H ASP A 74 -1.755 -2.548 1.542 1.00 10.00 H new ATOM 0 HA ASP A 74 -4.075 -4.171 1.461 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.279 -3.527 -0.367 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.421 -4.935 0.228 1.00 10.00 H new ATOM 857 N SER A 75 -1.576 -5.310 3.193 1.00 10.00 N ATOM 858 CA SER A 75 -1.148 -6.384 4.078 1.00 10.00 C ATOM 859 C SER A 75 -1.374 -6.040 5.552 1.00 10.00 C ATOM 860 O SER A 75 -0.889 -6.748 6.438 1.00 10.00 O ATOM 861 CB SER A 75 0.326 -6.690 3.817 1.00 10.00 C ATOM 862 OG SER A 75 0.587 -6.727 2.423 1.00 10.00 O ATOM 0 H SER A 75 -0.981 -4.482 3.212 1.00 10.00 H new ATOM 0 HA SER A 75 -1.753 -7.265 3.865 1.00 10.00 H new ATOM 0 HB2 SER A 75 0.950 -5.932 4.290 1.00 10.00 H new ATOM 0 HB3 SER A 75 0.590 -7.647 4.268 1.00 10.00 H new ATOM 0 HG SER A 75 0.718 -5.815 2.090 1.00 10.00 H new ATOM 868 N ASN A 76 -2.126 -4.962 5.799 1.00 10.00 N ATOM 869 CA ASN A 76 -2.429 -4.503 7.161 1.00 10.00 C ATOM 870 C ASN A 76 -1.141 -4.270 7.951 1.00 10.00 C ATOM 871 O ASN A 76 -0.984 -4.735 9.082 1.00 10.00 O ATOM 872 CB ASN A 76 -3.326 -5.512 7.886 1.00 10.00 C ATOM 873 CG ASN A 76 -4.146 -4.880 8.999 1.00 10.00 C ATOM 874 OD1 ASN A 76 -3.692 -3.963 9.687 1.00 10.00 O ATOM 875 ND2 ASN A 76 -5.364 -5.363 9.177 1.00 10.00 N ATOM 0 H ASN A 76 -2.540 -4.386 5.066 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.965 -3.557 7.089 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -3.998 -5.977 7.165 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -2.707 -6.307 8.303 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -5.965 -4.976 9.905 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -5.703 -6.123 8.586 1.00 10.00 H new ATOM 882 N MET A 77 -0.216 -3.556 7.335 1.00 10.00 N ATOM 883 CA MET A 77 1.064 -3.250 7.947 1.00 10.00 C ATOM 884 C MET A 77 1.186 -1.758 8.185 1.00 10.00 C ATOM 885 O MET A 77 0.389 -0.970 7.673 1.00 10.00 O ATOM 886 CB MET A 77 2.206 -3.715 7.043 1.00 10.00 C ATOM 887 CG MET A 77 2.162 -5.195 6.708 1.00 10.00 C ATOM 888 SD MET A 77 3.265 -5.633 5.351 1.00 10.00 S ATOM 889 CE MET A 77 4.824 -5.000 5.964 1.00 10.00 C ATOM 0 H MET A 77 -0.331 -3.172 6.397 1.00 10.00 H new ATOM 0 HA MET A 77 1.125 -3.773 8.901 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.179 -3.142 6.116 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.155 -3.491 7.529 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.433 -5.772 7.592 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.141 -5.474 6.446 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.619 -5.710 5.737 1.00 10.00 H new ATOM 0 HE2 MET A 77 5.042 -4.045 5.486 1.00 10.00 H new ATOM 0 HE3 MET A 77 4.761 -4.860 7.043 1.00 10.00 H new ATOM 899 N GLN A 78 2.188 -1.378 8.951 1.00 10.00 N ATOM 900 CA GLN A 78 2.423 0.018 9.257 1.00 10.00 C ATOM 901 C GLN A 78 3.524 0.581 8.377 1.00 10.00 C ATOM 902 O GLN A 78 4.345 -0.166 7.839 1.00 10.00 O ATOM 903 CB GLN A 78 2.797 0.183 10.723 1.00 10.00 C ATOM 904 CG GLN A 78 1.660 0.699 11.575 1.00 10.00 C ATOM 905 CD GLN A 78 1.619 2.213 11.612 1.00 10.00 C ATOM 906 OE1 GLN A 78 1.911 2.881 10.618 1.00 10.00 O ATOM 907 NE2 GLN A 78 1.278 2.765 12.760 1.00 10.00 N ATOM 0 H GLN A 78 2.856 -2.021 9.375 1.00 10.00 H new ATOM 0 HA GLN A 78 1.503 0.569 9.061 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.130 -0.778 11.116 1.00 10.00 H new ATOM 0 HB3 GLN A 78 3.641 0.869 10.801 1.00 10.00 H new ATOM 0 HG2 GLN A 78 0.715 0.320 11.186 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.764 0.314 12.590 1.00 10.00 H new ATOM 0 HE21 GLN A 78 1.043 2.176 13.559 1.00 10.00 H new ATOM 0 HE22 GLN A 78 1.249 3.781 12.849 1.00 10.00 H new ATOM 916 N LEU A 79 3.539 1.897 8.246 1.00 10.00 N ATOM 917 CA LEU A 79 4.531 2.575 7.432 1.00 10.00 C ATOM 918 C LEU A 79 5.130 3.750 8.176 1.00 10.00 C ATOM 919 O LEU A 79 4.421 4.599 8.719 1.00 10.00 O ATOM 920 CB LEU A 79 3.921 3.050 6.111 1.00 10.00 C ATOM 921 CG LEU A 79 4.825 3.962 5.278 1.00 10.00 C ATOM 922 CD1 LEU A 79 5.967 3.167 4.672 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.028 4.673 4.198 1.00 10.00 C ATOM 0 H LEU A 79 2.869 2.520 8.697 1.00 10.00 H new ATOM 0 HA LEU A 79 5.324 1.860 7.214 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.659 2.177 5.513 1.00 10.00 H new ATOM 0 HB3 LEU A 79 2.993 3.580 6.325 1.00 10.00 H new ATOM 0 HG LEU A 79 5.247 4.721 5.937 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.600 3.831 4.083 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.558 2.714 5.468 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.564 2.384 4.029 1.00 10.00 H new ATOM 0 HD21 LEU A 79 4.692 5.315 3.619 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.571 3.936 3.538 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.249 5.279 4.660 1.00 10.00 H new ATOM 935 N SER A 80 6.444 3.772 8.213 1.00 10.00 N ATOM 936 CA SER A 80 7.169 4.833 8.860 1.00 10.00 C ATOM 937 C SER A 80 7.969 5.609 7.819 1.00 10.00 C ATOM 938 O SER A 80 9.086 5.230 7.462 1.00 10.00 O ATOM 939 CB SER A 80 8.087 4.234 9.921 1.00 10.00 C ATOM 940 OG SER A 80 7.338 3.582 10.930 1.00 10.00 O ATOM 0 H SER A 80 7.036 3.054 7.795 1.00 10.00 H new ATOM 0 HA SER A 80 6.478 5.523 9.345 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.772 3.525 9.456 1.00 10.00 H new ATOM 0 HB3 SER A 80 8.696 5.021 10.366 1.00 10.00 H new ATOM 0 HG SER A 80 7.948 3.205 11.598 1.00 10.00 H new ATOM 946 N TYR A 81 7.381 6.693 7.333 1.00 10.00 N ATOM 947 CA TYR A 81 8.010 7.525 6.322 1.00 10.00 C ATOM 948 C TYR A 81 8.753 8.680 6.991 1.00 10.00 C ATOM 949 O TYR A 81 8.141 9.657 7.415 1.00 10.00 O ATOM 950 CB TYR A 81 6.951 8.059 5.352 1.00 10.00 C ATOM 951 CG TYR A 81 7.492 8.455 3.995 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.775 7.494 3.031 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.704 9.789 3.671 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.256 7.854 1.784 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.179 10.157 2.426 1.00 10.00 C ATOM 956 CZ TYR A 81 8.453 9.188 1.487 1.00 10.00 C ATOM 957 OH TYR A 81 8.929 9.557 0.250 1.00 10.00 O ATOM 0 H TYR A 81 6.460 7.018 7.627 1.00 10.00 H new ATOM 0 HA TYR A 81 8.727 6.927 5.759 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.183 7.298 5.216 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.465 8.924 5.803 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.617 6.450 3.259 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.494 10.553 4.405 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.476 7.096 1.047 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.334 11.200 2.191 1.00 10.00 H new ATOM 0 HH TYR A 81 9.448 10.384 0.333 1.00 10.00 H new ATOM 967 N ASN A 82 10.069 8.558 7.101 1.00 10.00 N ATOM 968 CA ASN A 82 10.877 9.591 7.740 1.00 10.00 C ATOM 969 C ASN A 82 11.652 10.408 6.713 1.00 10.00 C ATOM 970 O ASN A 82 12.728 10.934 7.002 1.00 10.00 O ATOM 971 CB ASN A 82 11.841 8.968 8.751 1.00 10.00 C ATOM 972 CG ASN A 82 11.149 8.573 10.043 1.00 10.00 C ATOM 973 OD1 ASN A 82 10.729 7.317 10.136 1.00 10.00 O flip ATOM 974 ND2 ASN A 82 11.000 9.385 10.954 1.00 10.00 N flip ATOM 0 H ASN A 82 10.599 7.757 6.758 1.00 10.00 H new ATOM 0 HA ASN A 82 10.198 10.264 8.264 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.308 8.088 8.309 1.00 10.00 H new ATOM 0 HB3 ASN A 82 12.640 9.676 8.972 1.00 10.00 H new ATOM 0 HD21 ASN A 82 11.337 10.342 10.845 1.00 10.00 H new ATOM 0 HD22 ASN A 82 10.540 9.102 11.819 1.00 10.00 H new ATOM 981 N LEU A 83 11.105 10.509 5.510 1.00 10.00 N ATOM 982 CA LEU A 83 11.747 11.272 4.450 1.00 10.00 C ATOM 983 C LEU A 83 11.165 12.679 4.393 1.00 10.00 C ATOM 984 O LEU A 83 9.974 12.871 4.654 1.00 10.00 O ATOM 985 CB LEU A 83 11.576 10.581 3.093 1.00 10.00 C ATOM 986 CG LEU A 83 12.028 9.120 3.027 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.974 8.619 1.595 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.432 8.963 3.588 1.00 10.00 C ATOM 0 H LEU A 83 10.221 10.074 5.244 1.00 10.00 H new ATOM 0 HA LEU A 83 12.813 11.331 4.672 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.524 10.629 2.812 1.00 10.00 H new ATOM 0 HB3 LEU A 83 12.132 11.147 2.346 1.00 10.00 H new ATOM 0 HG LEU A 83 11.349 8.523 3.636 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.298 7.579 1.561 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.953 8.694 1.222 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.633 9.225 0.973 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.732 7.917 3.531 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.126 9.572 3.008 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.447 9.288 4.628 1.00 10.00 H new ATOM 1000 N PRO A 84 11.998 13.675 4.051 1.00 10.00 N ATOM 1001 CA PRO A 84 11.576 15.080 3.956 1.00 10.00 C ATOM 1002 C PRO A 84 10.377 15.270 3.029 1.00 10.00 C ATOM 1003 O PRO A 84 9.484 16.073 3.303 1.00 10.00 O ATOM 1004 CB PRO A 84 12.810 15.801 3.389 1.00 10.00 C ATOM 1005 CG PRO A 84 13.716 14.724 2.895 1.00 10.00 C ATOM 1006 CD PRO A 84 13.426 13.517 3.737 1.00 10.00 C ATOM 0 HA PRO A 84 11.253 15.465 4.923 1.00 10.00 H new ATOM 0 HB2 PRO A 84 12.531 16.479 2.582 1.00 10.00 H new ATOM 0 HB3 PRO A 84 13.299 16.402 4.156 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.535 14.516 1.840 1.00 10.00 H new ATOM 0 HG3 PRO A 84 14.761 15.021 2.987 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.621 12.591 3.197 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.039 13.496 4.638 1.00 10.00 H new ATOM 1014 N SER A 85 10.356 14.529 1.932 1.00 10.00 N ATOM 1015 CA SER A 85 9.268 14.616 0.975 1.00 10.00 C ATOM 1016 C SER A 85 9.069 13.288 0.257 1.00 10.00 C ATOM 1017 O SER A 85 9.869 12.359 0.405 1.00 10.00 O ATOM 1018 CB SER A 85 9.546 15.727 -0.039 1.00 10.00 C ATOM 1019 OG SER A 85 9.584 16.996 0.595 1.00 10.00 O ATOM 0 H SER A 85 11.084 13.859 1.683 1.00 10.00 H new ATOM 0 HA SER A 85 8.353 14.851 1.518 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.496 15.538 -0.540 1.00 10.00 H new ATOM 0 HB3 SER A 85 8.774 15.724 -0.808 1.00 10.00 H new ATOM 0 HG SER A 85 9.765 17.690 -0.073 1.00 10.00 H new ATOM 1025 N ASP A 86 7.989 13.202 -0.502 1.00 10.00 N ATOM 1026 CA ASP A 86 7.673 12.005 -1.259 1.00 10.00 C ATOM 1027 C ASP A 86 8.439 12.008 -2.573 1.00 10.00 C ATOM 1028 O ASP A 86 8.460 13.011 -3.290 1.00 10.00 O ATOM 1029 CB ASP A 86 6.164 11.909 -1.518 1.00 10.00 C ATOM 1030 CG ASP A 86 5.603 13.143 -2.202 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.619 14.231 -1.587 1.00 10.00 O ATOM 1032 OD2 ASP A 86 5.138 13.032 -3.355 1.00 10.00 O ATOM 0 H ASP A 86 7.311 13.956 -0.610 1.00 10.00 H new ATOM 0 HA ASP A 86 7.972 11.134 -0.676 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.961 11.034 -2.135 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.647 11.758 -0.571 1.00 10.00 H new ATOM 1037 N TYR A 87 9.081 10.894 -2.877 1.00 10.00 N ATOM 1038 CA TYR A 87 9.861 10.780 -4.099 1.00 10.00 C ATOM 1039 C TYR A 87 9.115 9.958 -5.140 1.00 10.00 C ATOM 1040 O TYR A 87 8.594 8.884 -4.839 1.00 10.00 O ATOM 1041 CB TYR A 87 11.229 10.165 -3.794 1.00 10.00 C ATOM 1042 CG TYR A 87 12.055 11.010 -2.852 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.634 12.197 -3.282 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.239 10.633 -1.528 1.00 10.00 C ATOM 1045 CE1 TYR A 87 13.377 12.981 -2.420 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.982 11.411 -0.661 1.00 10.00 C ATOM 1047 CZ TYR A 87 13.548 12.584 -1.112 1.00 10.00 C ATOM 1048 OH TYR A 87 14.285 13.364 -0.249 1.00 10.00 O ATOM 0 H TYR A 87 9.078 10.056 -2.296 1.00 10.00 H new ATOM 0 HA TYR A 87 10.014 11.778 -4.510 1.00 10.00 H new ATOM 0 HB2 TYR A 87 11.088 9.176 -3.359 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.777 10.028 -4.726 1.00 10.00 H new ATOM 0 HD1 TYR A 87 12.501 12.512 -4.306 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.794 9.716 -1.170 1.00 10.00 H new ATOM 0 HE1 TYR A 87 13.822 13.901 -2.770 1.00 10.00 H new ATOM 0 HE2 TYR A 87 13.119 11.102 0.365 1.00 10.00 H new ATOM 0 HH TYR A 87 14.210 14.305 -0.513 1.00 10.00 H new ATOM 1058 N THR A 88 9.053 10.481 -6.354 1.00 10.00 N ATOM 1059 CA THR A 88 8.368 9.823 -7.453 1.00 10.00 C ATOM 1060 C THR A 88 9.072 8.530 -7.855 1.00 10.00 C ATOM 1061 O THR A 88 10.285 8.395 -7.670 1.00 10.00 O ATOM 1062 CB THR A 88 8.305 10.757 -8.675 1.00 10.00 C ATOM 1063 OG1 THR A 88 8.332 12.124 -8.241 1.00 10.00 O ATOM 1064 CG2 THR A 88 7.046 10.508 -9.490 1.00 10.00 C ATOM 0 H THR A 88 9.477 11.374 -6.605 1.00 10.00 H new ATOM 0 HA THR A 88 7.360 9.583 -7.113 1.00 10.00 H new ATOM 0 HB THR A 88 9.170 10.552 -9.306 1.00 10.00 H new ATOM 0 HG1 THR A 88 9.255 12.452 -8.251 1.00 10.00 H new ATOM 0 HG21 THR A 88 7.028 11.182 -10.347 1.00 10.00 H new ATOM 0 HG22 THR A 88 7.037 9.476 -9.840 1.00 10.00 H new ATOM 0 HG23 THR A 88 6.169 10.688 -8.869 1.00 10.00 H new ATOM 1072 N LEU A 89 8.305 7.569 -8.370 1.00 10.00 N ATOM 1073 CA LEU A 89 8.861 6.307 -8.820 1.00 10.00 C ATOM 1074 C LEU A 89 9.911 6.552 -9.898 1.00 10.00 C ATOM 1075 O LEU A 89 9.589 6.953 -11.017 1.00 10.00 O ATOM 1076 CB LEU A 89 7.743 5.409 -9.351 1.00 10.00 C ATOM 1077 CG LEU A 89 7.025 4.547 -8.301 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.441 4.915 -6.879 1.00 10.00 C ATOM 1079 CD2 LEU A 89 5.518 4.655 -8.461 1.00 10.00 C ATOM 0 H LEU A 89 7.294 7.648 -8.483 1.00 10.00 H new ATOM 0 HA LEU A 89 9.342 5.806 -7.980 1.00 10.00 H new ATOM 0 HB2 LEU A 89 7.003 6.037 -9.847 1.00 10.00 H new ATOM 0 HB3 LEU A 89 8.162 4.749 -10.111 1.00 10.00 H new ATOM 0 HG LEU A 89 7.324 3.512 -8.470 1.00 10.00 H new ATOM 0 HD11 LEU A 89 6.910 4.281 -6.169 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.515 4.767 -6.764 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.196 5.960 -6.687 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.027 4.038 -7.709 1.00 10.00 H new ATOM 0 HD22 LEU A 89 5.212 5.693 -8.334 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.232 4.311 -9.455 1.00 10.00 H new ATOM 1091 N ILE A 90 11.165 6.329 -9.523 1.00 10.00 N ATOM 1092 CA ILE A 90 12.315 6.527 -10.403 1.00 10.00 C ATOM 1093 C ILE A 90 12.175 5.798 -11.737 1.00 10.00 C ATOM 1094 O ILE A 90 12.573 6.314 -12.778 1.00 10.00 O ATOM 1095 CB ILE A 90 13.614 6.057 -9.714 1.00 10.00 C ATOM 1096 CG1 ILE A 90 13.388 4.702 -9.035 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.079 7.096 -8.705 1.00 10.00 C ATOM 1098 CD1 ILE A 90 14.656 4.034 -8.564 1.00 10.00 C ATOM 0 H ILE A 90 11.417 6.002 -8.590 1.00 10.00 H new ATOM 0 HA ILE A 90 12.358 7.597 -10.607 1.00 10.00 H new ATOM 0 HB ILE A 90 14.393 5.939 -10.467 1.00 10.00 H new ATOM 0 HG12 ILE A 90 12.724 4.841 -8.182 1.00 10.00 H new ATOM 0 HG13 ILE A 90 12.877 4.038 -9.732 1.00 10.00 H new ATOM 0 HG21 ILE A 90 14.996 6.753 -8.226 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.268 8.040 -9.216 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.307 7.240 -7.949 1.00 10.00 H new ATOM 0 HD11 ILE A 90 14.412 3.081 -8.095 1.00 10.00 H new ATOM 0 HD12 ILE A 90 15.314 3.862 -9.415 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.159 4.676 -7.841 1.00 10.00 H new ATOM 1110 N GLY A 91 11.609 4.604 -11.707 1.00 10.00 N ATOM 1111 CA GLY A 91 11.452 3.839 -12.927 1.00 10.00 C ATOM 1112 C GLY A 91 11.705 2.362 -12.709 1.00 10.00 C ATOM 1113 O GLY A 91 10.761 1.572 -12.703 1.00 10.00 O ATOM 0 H GLY A 91 11.256 4.151 -10.864 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.444 3.980 -13.316 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.141 4.217 -13.683 1.00 10.00 H new ATOM 1117 N PRO A 92 12.976 1.955 -12.506 1.00 10.00 N ATOM 1118 CA PRO A 92 13.341 0.547 -12.274 1.00 10.00 C ATOM 1119 C PRO A 92 12.610 -0.053 -11.074 1.00 10.00 C ATOM 1120 O PRO A 92 12.536 -1.269 -10.919 1.00 10.00 O ATOM 1121 CB PRO A 92 14.854 0.592 -12.012 1.00 10.00 C ATOM 1122 CG PRO A 92 15.170 2.026 -11.746 1.00 10.00 C ATOM 1123 CD PRO A 92 14.163 2.823 -12.521 1.00 10.00 C ATOM 0 HA PRO A 92 13.067 -0.082 -13.121 1.00 10.00 H new ATOM 0 HB2 PRO A 92 15.124 -0.034 -11.161 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.412 0.220 -12.871 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.107 2.248 -10.681 1.00 10.00 H new ATOM 0 HG3 PRO A 92 16.185 2.267 -12.062 1.00 10.00 H new ATOM 0 HD2 PRO A 92 13.964 3.787 -12.053 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.503 3.025 -13.537 1.00 10.00 H new ATOM 1131 N VAL A 93 12.064 0.819 -10.236 1.00 10.00 N ATOM 1132 CA VAL A 93 11.316 0.402 -9.058 1.00 10.00 C ATOM 1133 C VAL A 93 10.066 -0.367 -9.471 1.00 10.00 C ATOM 1134 O VAL A 93 9.625 -1.292 -8.789 1.00 10.00 O ATOM 1135 CB VAL A 93 10.928 1.623 -8.198 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.914 2.510 -8.903 1.00 10.00 C ATOM 1137 CG2 VAL A 93 10.423 1.189 -6.832 1.00 10.00 C ATOM 0 H VAL A 93 12.127 1.830 -10.353 1.00 10.00 H new ATOM 0 HA VAL A 93 11.952 -0.252 -8.462 1.00 10.00 H new ATOM 0 HB VAL A 93 11.829 2.218 -8.051 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.667 3.358 -8.265 1.00 10.00 H new ATOM 0 HG12 VAL A 93 10.337 2.872 -9.840 1.00 10.00 H new ATOM 0 HG13 VAL A 93 9.011 1.936 -9.110 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.157 2.069 -6.246 1.00 10.00 H new ATOM 0 HG22 VAL A 93 9.545 0.554 -6.953 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.205 0.632 -6.315 1.00 10.00 H new ATOM 1147 N SER A 94 9.525 0.013 -10.617 1.00 10.00 N ATOM 1148 CA SER A 94 8.329 -0.617 -11.158 1.00 10.00 C ATOM 1149 C SER A 94 8.637 -2.017 -11.688 1.00 10.00 C ATOM 1150 O SER A 94 7.736 -2.766 -12.058 1.00 10.00 O ATOM 1151 CB SER A 94 7.743 0.255 -12.268 1.00 10.00 C ATOM 1152 OG SER A 94 7.867 1.635 -11.948 1.00 10.00 O ATOM 0 H SER A 94 9.900 0.764 -11.197 1.00 10.00 H new ATOM 0 HA SER A 94 7.598 -0.717 -10.356 1.00 10.00 H new ATOM 0 HB2 SER A 94 8.256 0.048 -13.207 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.692 0.005 -12.416 1.00 10.00 H new ATOM 0 HG SER A 94 8.744 1.961 -12.241 1.00 10.00 H new ATOM 1158 N ALA A 95 9.918 -2.366 -11.718 1.00 10.00 N ATOM 1159 CA ALA A 95 10.348 -3.673 -12.191 1.00 10.00 C ATOM 1160 C ALA A 95 10.494 -4.635 -11.020 1.00 10.00 C ATOM 1161 O ALA A 95 10.749 -5.830 -11.199 1.00 10.00 O ATOM 1162 CB ALA A 95 11.664 -3.553 -12.949 1.00 10.00 C ATOM 0 H ALA A 95 10.679 -1.757 -11.418 1.00 10.00 H new ATOM 0 HA ALA A 95 9.592 -4.066 -12.870 1.00 10.00 H new ATOM 0 HB1 ALA A 95 11.974 -4.538 -13.297 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.532 -2.891 -13.804 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.429 -3.144 -12.288 1.00 10.00 H new ATOM 1168 N ILE A 96 10.309 -4.103 -9.820 1.00 10.00 N ATOM 1169 CA ILE A 96 10.427 -4.885 -8.610 1.00 10.00 C ATOM 1170 C ILE A 96 9.068 -5.440 -8.221 1.00 10.00 C ATOM 1171 O ILE A 96 8.151 -4.694 -7.893 1.00 10.00 O ATOM 1172 CB ILE A 96 11.004 -4.039 -7.456 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.366 -3.469 -7.862 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.126 -4.871 -6.186 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.862 -2.363 -6.960 1.00 10.00 C ATOM 0 H ILE A 96 10.074 -3.123 -9.664 1.00 10.00 H new ATOM 0 HA ILE A 96 11.114 -5.710 -8.800 1.00 10.00 H new ATOM 0 HB ILE A 96 10.323 -3.213 -7.251 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.099 -4.276 -7.868 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.301 -3.090 -8.882 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.535 -4.255 -5.385 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.142 -5.238 -5.895 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.789 -5.717 -6.367 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.832 -2.012 -7.314 1.00 10.00 H new ATOM 0 HD12 ILE A 96 12.151 -1.537 -6.972 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.962 -2.741 -5.942 1.00 10.00 H new ATOM 1187 N SER A 97 8.940 -6.747 -8.312 1.00 10.00 N ATOM 1188 CA SER A 97 7.705 -7.426 -7.976 1.00 10.00 C ATOM 1189 C SER A 97 8.014 -8.752 -7.292 1.00 10.00 C ATOM 1190 O SER A 97 8.326 -9.742 -7.953 1.00 10.00 O ATOM 1191 CB SER A 97 6.878 -7.658 -9.244 1.00 10.00 C ATOM 1192 OG SER A 97 6.959 -6.540 -10.117 1.00 10.00 O ATOM 0 H SER A 97 9.688 -7.369 -8.620 1.00 10.00 H new ATOM 0 HA SER A 97 7.127 -6.806 -7.291 1.00 10.00 H new ATOM 0 HB2 SER A 97 7.235 -8.551 -9.757 1.00 10.00 H new ATOM 0 HB3 SER A 97 5.837 -7.839 -8.975 1.00 10.00 H new ATOM 0 HG SER A 97 6.424 -6.713 -10.920 1.00 10.00 H new ATOM 1198 N THR A 98 7.964 -8.761 -5.970 1.00 10.00 N ATOM 1199 CA THR A 98 8.245 -9.967 -5.209 1.00 10.00 C ATOM 1200 C THR A 98 7.162 -10.215 -4.163 1.00 10.00 C ATOM 1201 O THR A 98 6.445 -9.295 -3.769 1.00 10.00 O ATOM 1202 CB THR A 98 9.632 -9.898 -4.532 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.985 -11.179 -3.982 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.647 -8.847 -3.437 1.00 10.00 C ATOM 0 H THR A 98 7.731 -7.947 -5.402 1.00 10.00 H new ATOM 0 HA THR A 98 8.251 -10.800 -5.912 1.00 10.00 H new ATOM 0 HB THR A 98 10.364 -9.621 -5.291 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.867 -11.121 -3.558 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.634 -8.817 -2.975 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.417 -7.872 -3.866 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.901 -9.097 -2.683 1.00 10.00 H new ATOM 1212 N THR A 99 7.032 -11.462 -3.742 1.00 10.00 N ATOM 1213 CA THR A 99 6.044 -11.842 -2.747 1.00 10.00 C ATOM 1214 C THR A 99 6.521 -11.533 -1.326 1.00 10.00 C ATOM 1215 O THR A 99 5.714 -11.398 -0.408 1.00 10.00 O ATOM 1216 CB THR A 99 5.726 -13.340 -2.863 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.858 -14.035 -3.411 1.00 10.00 O ATOM 1218 CG2 THR A 99 4.511 -13.565 -3.746 1.00 10.00 C ATOM 0 H THR A 99 7.605 -12.236 -4.078 1.00 10.00 H new ATOM 0 HA THR A 99 5.145 -11.256 -2.939 1.00 10.00 H new ATOM 0 HB THR A 99 5.507 -13.726 -1.867 1.00 10.00 H new ATOM 0 HG1 THR A 99 6.652 -14.991 -3.482 1.00 10.00 H new ATOM 0 HG21 THR A 99 4.304 -14.633 -3.814 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.649 -13.055 -3.316 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.707 -13.169 -4.742 1.00 10.00 H new ATOM 1226 N SER A 100 7.830 -11.415 -1.154 1.00 10.00 N ATOM 1227 CA SER A 100 8.404 -11.126 0.154 1.00 10.00 C ATOM 1228 C SER A 100 8.527 -9.621 0.362 1.00 10.00 C ATOM 1229 O SER A 100 9.227 -8.937 -0.385 1.00 10.00 O ATOM 1230 CB SER A 100 9.778 -11.796 0.291 1.00 10.00 C ATOM 1231 OG SER A 100 10.495 -11.302 1.413 1.00 10.00 O ATOM 0 H SER A 100 8.515 -11.515 -1.903 1.00 10.00 H new ATOM 0 HA SER A 100 7.741 -11.528 0.920 1.00 10.00 H new ATOM 0 HB2 SER A 100 9.649 -12.874 0.388 1.00 10.00 H new ATOM 0 HB3 SER A 100 10.358 -11.625 -0.616 1.00 10.00 H new ATOM 0 HG SER A 100 11.364 -11.752 1.470 1.00 10.00 H new ATOM 1237 N VAL A 101 7.847 -9.108 1.379 1.00 10.00 N ATOM 1238 CA VAL A 101 7.889 -7.683 1.671 1.00 10.00 C ATOM 1239 C VAL A 101 9.298 -7.262 2.089 1.00 10.00 C ATOM 1240 O VAL A 101 9.736 -6.144 1.802 1.00 10.00 O ATOM 1241 CB VAL A 101 6.855 -7.286 2.755 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.244 -7.820 4.125 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.676 -5.775 2.791 1.00 10.00 C ATOM 0 H VAL A 101 7.263 -9.655 2.012 1.00 10.00 H new ATOM 0 HA VAL A 101 7.622 -7.153 0.757 1.00 10.00 H new ATOM 0 HB VAL A 101 5.902 -7.742 2.489 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.495 -7.521 4.858 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.302 -8.908 4.088 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.214 -7.414 4.412 1.00 10.00 H new ATOM 0 HG21 VAL A 101 5.947 -5.513 3.558 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.630 -5.301 3.021 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.323 -5.427 1.820 1.00 10.00 H new ATOM 1253 N GLN A 102 10.019 -8.176 2.736 1.00 10.00 N ATOM 1254 CA GLN A 102 11.381 -7.901 3.171 1.00 10.00 C ATOM 1255 C GLN A 102 12.290 -7.789 1.957 1.00 10.00 C ATOM 1256 O GLN A 102 13.151 -6.909 1.887 1.00 10.00 O ATOM 1257 CB GLN A 102 11.883 -9.002 4.105 1.00 10.00 C ATOM 1258 CG GLN A 102 11.037 -9.172 5.355 1.00 10.00 C ATOM 1259 CD GLN A 102 11.584 -10.234 6.286 1.00 10.00 C ATOM 1260 OE1 GLN A 102 12.796 -10.417 6.400 1.00 10.00 O ATOM 1261 NE2 GLN A 102 10.694 -10.952 6.947 1.00 10.00 N ATOM 0 H GLN A 102 9.681 -9.110 2.969 1.00 10.00 H new ATOM 0 HA GLN A 102 11.391 -6.959 3.719 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.906 -9.946 3.561 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.909 -8.778 4.398 1.00 10.00 H new ATOM 0 HG2 GLN A 102 10.983 -8.221 5.885 1.00 10.00 H new ATOM 0 HG3 GLN A 102 10.019 -9.435 5.068 1.00 10.00 H new ATOM 0 HE21 GLN A 102 9.698 -10.769 6.824 1.00 10.00 H new ATOM 0 HE22 GLN A 102 11.003 -11.690 7.580 1.00 10.00 H new ATOM 1270 N GLN A 103 12.074 -8.680 0.995 1.00 10.00 N ATOM 1271 CA GLN A 103 12.852 -8.688 -0.233 1.00 10.00 C ATOM 1272 C GLN A 103 12.554 -7.435 -1.041 1.00 10.00 C ATOM 1273 O GLN A 103 13.457 -6.826 -1.608 1.00 10.00 O ATOM 1274 CB GLN A 103 12.538 -9.933 -1.061 1.00 10.00 C ATOM 1275 CG GLN A 103 13.374 -10.049 -2.321 1.00 10.00 C ATOM 1276 CD GLN A 103 14.824 -10.397 -2.035 1.00 10.00 C ATOM 1277 OE1 GLN A 103 15.376 -10.029 -0.998 1.00 10.00 O ATOM 1278 NE2 GLN A 103 15.449 -11.111 -2.953 1.00 10.00 N ATOM 0 H GLN A 103 11.362 -9.409 1.045 1.00 10.00 H new ATOM 0 HA GLN A 103 13.911 -8.705 0.025 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.698 -10.818 -0.446 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.483 -9.921 -1.334 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.943 -10.812 -2.969 1.00 10.00 H new ATOM 0 HG3 GLN A 103 13.332 -9.107 -2.867 1.00 10.00 H new ATOM 0 HE21 GLN A 103 14.957 -11.397 -3.799 1.00 10.00 H new ATOM 0 HE22 GLN A 103 16.424 -11.377 -2.816 1.00 10.00 H new ATOM 1287 N ALA A 104 11.279 -7.061 -1.088 1.00 10.00 N ATOM 1288 CA ALA A 104 10.848 -5.865 -1.803 1.00 10.00 C ATOM 1289 C ALA A 104 11.610 -4.647 -1.296 1.00 10.00 C ATOM 1290 O ALA A 104 12.135 -3.855 -2.081 1.00 10.00 O ATOM 1291 CB ALA A 104 9.350 -5.659 -1.639 1.00 10.00 C ATOM 0 H ALA A 104 10.522 -7.573 -0.636 1.00 10.00 H new ATOM 0 HA ALA A 104 11.064 -5.996 -2.863 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.045 -4.762 -2.179 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.818 -6.522 -2.039 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.112 -5.545 -0.581 1.00 10.00 H new ATOM 1297 N ALA A 105 11.686 -4.518 0.022 1.00 10.00 N ATOM 1298 CA ALA A 105 12.403 -3.413 0.644 1.00 10.00 C ATOM 1299 C ALA A 105 13.894 -3.507 0.332 1.00 10.00 C ATOM 1300 O ALA A 105 14.569 -2.494 0.138 1.00 10.00 O ATOM 1301 CB ALA A 105 12.168 -3.416 2.147 1.00 10.00 C ATOM 0 H ALA A 105 11.259 -5.167 0.683 1.00 10.00 H new ATOM 0 HA ALA A 105 12.026 -2.475 0.237 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.709 -2.586 2.601 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.102 -3.309 2.349 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.524 -4.356 2.569 1.00 10.00 H new ATOM 1307 N THR A 106 14.394 -4.733 0.262 1.00 10.00 N ATOM 1308 CA THR A 106 15.795 -4.979 -0.038 1.00 10.00 C ATOM 1309 C THR A 106 16.118 -4.526 -1.461 1.00 10.00 C ATOM 1310 O THR A 106 17.091 -3.801 -1.690 1.00 10.00 O ATOM 1311 CB THR A 106 16.138 -6.475 0.118 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.844 -6.910 1.453 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.605 -6.739 -0.192 1.00 10.00 C ATOM 0 H THR A 106 13.843 -5.579 0.411 1.00 10.00 H new ATOM 0 HA THR A 106 16.396 -4.408 0.669 1.00 10.00 H new ATOM 0 HB THR A 106 15.529 -7.035 -0.592 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.876 -7.025 1.554 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.816 -7.802 -0.073 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.820 -6.438 -1.217 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.230 -6.166 0.493 1.00 10.00 H new ATOM 1321 N GLU A 107 15.278 -4.939 -2.404 1.00 10.00 N ATOM 1322 CA GLU A 107 15.457 -4.592 -3.806 1.00 10.00 C ATOM 1323 C GLU A 107 15.302 -3.089 -4.024 1.00 10.00 C ATOM 1324 O GLU A 107 16.006 -2.498 -4.844 1.00 10.00 O ATOM 1325 CB GLU A 107 14.456 -5.350 -4.675 1.00 10.00 C ATOM 1326 CG GLU A 107 14.656 -6.858 -4.652 1.00 10.00 C ATOM 1327 CD GLU A 107 14.164 -7.535 -5.915 1.00 10.00 C ATOM 1328 OE1 GLU A 107 14.821 -7.386 -6.966 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.129 -8.234 -5.861 1.00 10.00 O ATOM 0 H GLU A 107 14.460 -5.519 -2.218 1.00 10.00 H new ATOM 0 HA GLU A 107 16.468 -4.879 -4.095 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.446 -5.120 -4.337 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.537 -4.996 -5.703 1.00 10.00 H new ATOM 0 HG2 GLU A 107 15.715 -7.077 -4.517 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.131 -7.276 -3.793 1.00 10.00 H new ATOM 1336 N LEU A 108 14.369 -2.482 -3.298 1.00 10.00 N ATOM 1337 CA LEU A 108 14.141 -1.047 -3.401 1.00 10.00 C ATOM 1338 C LEU A 108 15.371 -0.285 -2.936 1.00 10.00 C ATOM 1339 O LEU A 108 15.891 0.547 -3.660 1.00 10.00 O ATOM 1340 CB LEU A 108 12.940 -0.616 -2.556 1.00 10.00 C ATOM 1341 CG LEU A 108 11.698 -0.178 -3.336 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.048 -1.362 -4.034 1.00 10.00 C ATOM 1343 CD2 LEU A 108 10.708 0.498 -2.406 1.00 10.00 C ATOM 0 H LEU A 108 13.761 -2.961 -2.634 1.00 10.00 H new ATOM 0 HA LEU A 108 13.937 -0.819 -4.447 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.663 -1.444 -1.904 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.250 0.207 -1.912 1.00 10.00 H new ATOM 0 HG LEU A 108 12.007 0.535 -4.100 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.168 -1.024 -4.581 1.00 10.00 H new ATOM 0 HD12 LEU A 108 11.758 -1.809 -4.730 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.751 -2.104 -3.292 1.00 10.00 H new ATOM 0 HD21 LEU A 108 9.829 0.805 -2.972 1.00 10.00 H new ATOM 0 HD22 LEU A 108 10.410 -0.199 -1.623 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.173 1.374 -1.954 1.00 10.00 H new ATOM 1355 N SER A 109 15.845 -0.600 -1.737 1.00 10.00 N ATOM 1356 CA SER A 109 17.011 0.068 -1.169 1.00 10.00 C ATOM 1357 C SER A 109 18.235 -0.069 -2.060 1.00 10.00 C ATOM 1358 O SER A 109 19.096 0.809 -2.072 1.00 10.00 O ATOM 1359 CB SER A 109 17.306 -0.488 0.216 1.00 10.00 C ATOM 1360 OG SER A 109 16.168 -0.375 1.041 1.00 10.00 O ATOM 0 H SER A 109 15.438 -1.317 -1.136 1.00 10.00 H new ATOM 0 HA SER A 109 16.779 1.130 -1.093 1.00 10.00 H new ATOM 0 HB2 SER A 109 17.606 -1.533 0.140 1.00 10.00 H new ATOM 0 HB3 SER A 109 18.142 0.052 0.662 1.00 10.00 H new ATOM 0 HG SER A 109 15.539 -1.097 0.832 1.00 10.00 H new ATOM 1366 N ALA A 110 18.306 -1.162 -2.805 1.00 10.00 N ATOM 1367 CA ALA A 110 19.427 -1.392 -3.702 1.00 10.00 C ATOM 1368 C ALA A 110 19.488 -0.306 -4.770 1.00 10.00 C ATOM 1369 O ALA A 110 20.548 0.248 -5.057 1.00 10.00 O ATOM 1370 CB ALA A 110 19.311 -2.766 -4.349 1.00 10.00 C ATOM 0 H ALA A 110 17.603 -1.901 -2.806 1.00 10.00 H new ATOM 0 HA ALA A 110 20.349 -1.356 -3.121 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.156 -2.926 -5.018 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.311 -3.534 -3.575 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.383 -2.823 -4.917 1.00 10.00 H new ATOM 1376 N VAL A 111 18.335 -0.002 -5.353 1.00 10.00 N ATOM 1377 CA VAL A 111 18.247 1.013 -6.398 1.00 10.00 C ATOM 1378 C VAL A 111 17.986 2.411 -5.814 1.00 10.00 C ATOM 1379 O VAL A 111 18.281 3.428 -6.441 1.00 10.00 O ATOM 1380 CB VAL A 111 17.141 0.645 -7.420 1.00 10.00 C ATOM 1381 CG1 VAL A 111 15.761 0.688 -6.792 1.00 10.00 C ATOM 1382 CG2 VAL A 111 17.199 1.548 -8.636 1.00 10.00 C ATOM 0 H VAL A 111 17.446 -0.444 -5.120 1.00 10.00 H new ATOM 0 HA VAL A 111 19.210 1.041 -6.909 1.00 10.00 H new ATOM 0 HB VAL A 111 17.329 -0.379 -7.742 1.00 10.00 H new ATOM 0 HG11 VAL A 111 15.013 0.424 -7.539 1.00 10.00 H new ATOM 0 HG12 VAL A 111 15.715 -0.022 -5.966 1.00 10.00 H new ATOM 0 HG13 VAL A 111 15.562 1.693 -6.419 1.00 10.00 H new ATOM 0 HG21 VAL A 111 16.412 1.267 -9.336 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.057 2.584 -8.327 1.00 10.00 H new ATOM 0 HG23 VAL A 111 18.170 1.444 -9.121 1.00 10.00 H new ATOM 1392 N TYR A 112 17.433 2.447 -4.612 1.00 10.00 N ATOM 1393 CA TYR A 112 17.104 3.703 -3.940 1.00 10.00 C ATOM 1394 C TYR A 112 18.291 4.323 -3.216 1.00 10.00 C ATOM 1395 O TYR A 112 18.291 5.525 -2.963 1.00 10.00 O ATOM 1396 CB TYR A 112 15.941 3.509 -2.971 1.00 10.00 C ATOM 1397 CG TYR A 112 14.596 3.712 -3.632 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.315 3.117 -4.853 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.619 4.501 -3.050 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.098 3.298 -5.475 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.400 4.692 -3.665 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.141 4.089 -4.877 1.00 10.00 C ATOM 1403 OH TYR A 112 10.925 4.290 -5.492 1.00 10.00 O ATOM 0 H TYR A 112 17.199 1.613 -4.073 1.00 10.00 H new ATOM 0 HA TYR A 112 16.811 4.401 -4.725 1.00 10.00 H new ATOM 0 HB2 TYR A 112 15.987 2.505 -2.550 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.043 4.208 -2.141 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.064 2.500 -5.326 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.815 4.974 -2.099 1.00 10.00 H new ATOM 0 HE1 TYR A 112 12.896 2.823 -6.424 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.650 5.313 -3.198 1.00 10.00 H new ATOM 0 HH TYR A 112 10.368 4.872 -4.934 1.00 10.00 H new ATOM 1413 N ALA A 113 19.272 3.506 -2.848 1.00 10.00 N ATOM 1414 CA ALA A 113 20.463 3.985 -2.136 1.00 10.00 C ATOM 1415 C ALA A 113 21.092 5.196 -2.820 1.00 10.00 C ATOM 1416 O ALA A 113 21.502 6.144 -2.157 1.00 10.00 O ATOM 1417 CB ALA A 113 21.491 2.869 -2.008 1.00 10.00 C ATOM 0 H ALA A 113 19.270 2.502 -3.030 1.00 10.00 H new ATOM 0 HA ALA A 113 20.140 4.296 -1.142 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.368 3.241 -1.478 1.00 10.00 H new ATOM 0 HB2 ALA A 113 21.057 2.037 -1.453 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.785 2.529 -3.001 1.00 10.00 H new ATOM 1423 N ALA A 114 21.132 5.175 -4.147 1.00 10.00 N ATOM 1424 CA ALA A 114 21.710 6.276 -4.915 1.00 10.00 C ATOM 1425 C ALA A 114 20.841 7.534 -4.829 1.00 10.00 C ATOM 1426 O ALA A 114 21.301 8.645 -5.098 1.00 10.00 O ATOM 1427 CB ALA A 114 21.893 5.868 -6.368 1.00 10.00 C ATOM 0 H ALA A 114 20.772 4.409 -4.715 1.00 10.00 H new ATOM 0 HA ALA A 114 22.684 6.507 -4.483 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.324 6.698 -6.927 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.560 5.008 -6.423 1.00 10.00 H new ATOM 0 HB3 ALA A 114 20.926 5.605 -6.797 1.00 10.00 H new ATOM 1433 N GLN A 115 19.584 7.351 -4.460 1.00 10.00 N ATOM 1434 CA GLN A 115 18.647 8.459 -4.336 1.00 10.00 C ATOM 1435 C GLN A 115 18.629 8.956 -2.894 1.00 10.00 C ATOM 1436 O GLN A 115 17.945 9.925 -2.557 1.00 10.00 O ATOM 1437 CB GLN A 115 17.242 8.026 -4.775 1.00 10.00 C ATOM 1438 CG GLN A 115 16.980 8.159 -6.274 1.00 10.00 C ATOM 1439 CD GLN A 115 18.037 7.483 -7.132 1.00 10.00 C ATOM 1440 OE1 GLN A 115 18.996 8.117 -7.566 1.00 10.00 O ATOM 1441 NE2 GLN A 115 17.873 6.193 -7.380 1.00 10.00 N ATOM 0 H GLN A 115 19.185 6.439 -4.239 1.00 10.00 H new ATOM 0 HA GLN A 115 18.969 9.272 -4.987 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.087 6.988 -4.482 1.00 10.00 H new ATOM 0 HB3 GLN A 115 16.506 8.622 -4.236 1.00 10.00 H new ATOM 0 HG2 GLN A 115 16.005 7.729 -6.505 1.00 10.00 H new ATOM 0 HG3 GLN A 115 16.932 9.216 -6.535 1.00 10.00 H new ATOM 0 HE21 GLN A 115 17.064 5.700 -7.002 1.00 10.00 H new ATOM 0 HE22 GLN A 115 18.556 5.692 -7.949 1.00 10.00 H new ATOM 1450 N GLY A 116 19.396 8.279 -2.047 1.00 10.00 N ATOM 1451 CA GLY A 116 19.486 8.651 -0.651 1.00 10.00 C ATOM 1452 C GLY A 116 18.366 8.065 0.181 1.00 10.00 C ATOM 1453 O GLY A 116 18.051 8.575 1.255 1.00 10.00 O ATOM 0 H GLY A 116 19.962 7.471 -2.308 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.444 8.317 -0.251 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.466 9.738 -0.566 1.00 10.00 H new ATOM 1457 N VAL A 117 17.780 6.976 -0.297 1.00 10.00 N ATOM 1458 CA VAL A 117 16.678 6.335 0.405 1.00 10.00 C ATOM 1459 C VAL A 117 16.971 4.863 0.683 1.00 10.00 C ATOM 1460 O VAL A 117 17.557 4.166 -0.144 1.00 10.00 O ATOM 1461 CB VAL A 117 15.363 6.440 -0.406 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.209 5.772 0.332 1.00 10.00 C ATOM 1463 CG2 VAL A 117 15.028 7.895 -0.709 1.00 10.00 C ATOM 0 H VAL A 117 18.050 6.518 -1.168 1.00 10.00 H new ATOM 0 HA VAL A 117 16.563 6.860 1.353 1.00 10.00 H new ATOM 0 HB VAL A 117 15.512 5.916 -1.350 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.298 5.861 -0.260 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.439 4.718 0.489 1.00 10.00 H new ATOM 0 HG13 VAL A 117 14.063 6.259 1.296 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.100 7.944 -1.279 1.00 10.00 H new ATOM 0 HG22 VAL A 117 14.908 8.443 0.226 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.835 8.341 -1.290 1.00 10.00 H new ATOM 1473 N SER A 118 16.583 4.409 1.863 1.00 10.00 N ATOM 1474 CA SER A 118 16.759 3.025 2.256 1.00 10.00 C ATOM 1475 C SER A 118 15.521 2.553 3.015 1.00 10.00 C ATOM 1476 O SER A 118 15.128 3.149 4.021 1.00 10.00 O ATOM 1477 CB SER A 118 18.029 2.868 3.092 1.00 10.00 C ATOM 1478 OG SER A 118 19.174 2.835 2.252 1.00 10.00 O ATOM 0 H SER A 118 16.138 4.990 2.573 1.00 10.00 H new ATOM 0 HA SER A 118 16.875 2.402 1.369 1.00 10.00 H new ATOM 0 HB2 SER A 118 18.112 3.694 3.798 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.974 1.951 3.679 1.00 10.00 H new ATOM 0 HG SER A 118 18.929 3.138 1.353 1.00 10.00 H new ATOM 1484 N VAL A 119 14.898 1.497 2.516 1.00 10.00 N ATOM 1485 CA VAL A 119 13.689 0.963 3.121 1.00 10.00 C ATOM 1486 C VAL A 119 13.920 -0.437 3.682 1.00 10.00 C ATOM 1487 O VAL A 119 14.741 -1.198 3.174 1.00 10.00 O ATOM 1488 CB VAL A 119 12.522 0.920 2.107 1.00 10.00 C ATOM 1489 CG1 VAL A 119 12.010 2.317 1.823 1.00 10.00 C ATOM 1490 CG2 VAL A 119 12.946 0.257 0.807 1.00 10.00 C ATOM 0 H VAL A 119 15.213 0.990 1.688 1.00 10.00 H new ATOM 0 HA VAL A 119 13.424 1.634 3.938 1.00 10.00 H new ATOM 0 HB VAL A 119 11.722 0.329 2.553 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.189 2.265 1.107 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.656 2.770 2.749 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.816 2.922 1.408 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.104 0.242 0.115 1.00 10.00 H new ATOM 0 HG22 VAL A 119 13.770 0.817 0.365 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.269 -0.765 1.008 1.00 10.00 H new ATOM 1500 N SER A 120 13.196 -0.767 4.737 1.00 10.00 N ATOM 1501 CA SER A 120 13.310 -2.072 5.365 1.00 10.00 C ATOM 1502 C SER A 120 11.995 -2.440 6.035 1.00 10.00 C ATOM 1503 O SER A 120 11.095 -1.608 6.136 1.00 10.00 O ATOM 1504 CB SER A 120 14.446 -2.066 6.390 1.00 10.00 C ATOM 1505 OG SER A 120 14.444 -0.859 7.138 1.00 10.00 O ATOM 0 H SER A 120 12.519 -0.145 5.179 1.00 10.00 H new ATOM 0 HA SER A 120 13.536 -2.816 4.601 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.339 -2.916 7.063 1.00 10.00 H new ATOM 0 HB3 SER A 120 15.402 -2.182 5.880 1.00 10.00 H new ATOM 0 HG SER A 120 15.177 -0.876 7.789 1.00 10.00 H new ATOM 1511 N VAL A 121 11.882 -3.679 6.481 1.00 10.00 N ATOM 1512 CA VAL A 121 10.681 -4.146 7.147 1.00 10.00 C ATOM 1513 C VAL A 121 11.055 -4.733 8.495 1.00 10.00 C ATOM 1514 O VAL A 121 11.825 -5.691 8.570 1.00 10.00 O ATOM 1515 CB VAL A 121 9.929 -5.210 6.321 1.00 10.00 C ATOM 1516 CG1 VAL A 121 8.508 -5.373 6.831 1.00 10.00 C ATOM 1517 CG2 VAL A 121 9.948 -4.868 4.841 1.00 10.00 C ATOM 0 H VAL A 121 12.614 -4.384 6.392 1.00 10.00 H new ATOM 0 HA VAL A 121 10.016 -3.291 7.267 1.00 10.00 H new ATOM 0 HB VAL A 121 10.443 -6.163 6.443 1.00 10.00 H new ATOM 0 HG11 VAL A 121 7.992 -6.127 6.237 1.00 10.00 H new ATOM 0 HG12 VAL A 121 8.530 -5.686 7.875 1.00 10.00 H new ATOM 0 HG13 VAL A 121 7.980 -4.423 6.748 1.00 10.00 H new ATOM 0 HG21 VAL A 121 9.411 -5.635 4.283 1.00 10.00 H new ATOM 0 HG22 VAL A 121 9.468 -3.902 4.685 1.00 10.00 H new ATOM 0 HG23 VAL A 121 10.979 -4.821 4.492 1.00 10.00 H new ATOM 1527 N SER A 122 10.528 -4.149 9.550 1.00 10.00 N ATOM 1528 CA SER A 122 10.824 -4.609 10.890 1.00 10.00 C ATOM 1529 C SER A 122 9.544 -4.843 11.683 1.00 10.00 C ATOM 1530 O SER A 122 8.836 -3.897 12.027 1.00 10.00 O ATOM 1531 CB SER A 122 11.718 -3.586 11.594 1.00 10.00 C ATOM 1532 OG SER A 122 12.849 -3.265 10.796 1.00 10.00 O ATOM 0 H SER A 122 9.891 -3.353 9.505 1.00 10.00 H new ATOM 0 HA SER A 122 11.350 -5.561 10.827 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.147 -2.681 11.803 1.00 10.00 H new ATOM 0 HB3 SER A 122 12.047 -3.984 12.554 1.00 10.00 H new ATOM 0 HG SER A 122 13.405 -2.608 11.265 1.00 10.00 H new ATOM 1538 N ALA A 123 9.251 -6.114 11.940 1.00 10.00 N ATOM 1539 CA ALA A 123 8.067 -6.522 12.694 1.00 10.00 C ATOM 1540 C ALA A 123 6.775 -6.045 12.035 1.00 10.00 C ATOM 1541 O ALA A 123 5.987 -5.313 12.640 1.00 10.00 O ATOM 1542 CB ALA A 123 8.150 -6.032 14.132 1.00 10.00 C ATOM 0 H ALA A 123 9.830 -6.895 11.630 1.00 10.00 H new ATOM 0 HA ALA A 123 8.045 -7.612 12.697 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.259 -6.346 14.676 1.00 10.00 H new ATOM 0 HB2 ALA A 123 9.034 -6.454 14.610 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.216 -4.944 14.142 1.00 10.00 H new ATOM 1548 N ASN A 124 6.585 -6.452 10.781 1.00 10.00 N ATOM 1549 CA ASN A 124 5.385 -6.107 10.004 1.00 10.00 C ATOM 1550 C ASN A 124 5.243 -4.594 9.820 1.00 10.00 C ATOM 1551 O ASN A 124 4.152 -4.088 9.559 1.00 10.00 O ATOM 1552 CB ASN A 124 4.124 -6.665 10.682 1.00 10.00 C ATOM 1553 CG ASN A 124 3.022 -6.997 9.689 1.00 10.00 C ATOM 1554 OD1 ASN A 124 3.265 -7.634 8.662 1.00 10.00 O ATOM 1555 ND2 ASN A 124 1.802 -6.564 9.984 1.00 10.00 N ATOM 0 H ASN A 124 7.254 -7.029 10.272 1.00 10.00 H new ATOM 0 HA ASN A 124 5.498 -6.560 9.019 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.385 -7.563 11.242 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.751 -5.937 11.402 1.00 10.00 H new ATOM 0 HD21 ASN A 124 1.026 -6.756 9.351 1.00 10.00 H new ATOM 0 HD22 ASN A 124 1.641 -6.040 10.844 1.00 10.00 H new ATOM 1562 N LYS A 125 6.342 -3.875 9.953 1.00 10.00 N ATOM 1563 CA LYS A 125 6.324 -2.432 9.797 1.00 10.00 C ATOM 1564 C LYS A 125 7.347 -2.010 8.760 1.00 10.00 C ATOM 1565 O LYS A 125 8.487 -2.471 8.785 1.00 10.00 O ATOM 1566 CB LYS A 125 6.630 -1.752 11.132 1.00 10.00 C ATOM 1567 CG LYS A 125 6.301 -0.269 11.159 1.00 10.00 C ATOM 1568 CD LYS A 125 6.752 0.379 12.458 1.00 10.00 C ATOM 1569 CE LYS A 125 5.876 1.566 12.827 1.00 10.00 C ATOM 1570 NZ LYS A 125 6.323 2.220 14.085 1.00 10.00 N ATOM 0 H LYS A 125 7.259 -4.266 10.169 1.00 10.00 H new ATOM 0 HA LYS A 125 5.331 -2.128 9.465 1.00 10.00 H new ATOM 0 HB2 LYS A 125 6.068 -2.253 11.920 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.687 -1.883 11.361 1.00 10.00 H new ATOM 0 HG2 LYS A 125 6.784 0.227 10.317 1.00 10.00 H new ATOM 0 HG3 LYS A 125 5.227 -0.131 11.037 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.724 -0.357 13.261 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.787 0.706 12.361 1.00 10.00 H new ATOM 0 HE2 LYS A 125 5.891 2.293 12.015 1.00 10.00 H new ATOM 0 HE3 LYS A 125 4.844 1.234 12.938 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.699 3.024 14.299 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 6.285 1.534 14.866 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 7.299 2.561 13.971 1.00 10.00 H new ATOM 1584 N LEU A 126 6.942 -1.148 7.846 1.00 10.00 N ATOM 1585 CA LEU A 126 7.844 -0.667 6.817 1.00 10.00 C ATOM 1586 C LEU A 126 8.587 0.555 7.325 1.00 10.00 C ATOM 1587 O LEU A 126 7.975 1.554 7.709 1.00 10.00 O ATOM 1588 CB LEU A 126 7.078 -0.330 5.538 1.00 10.00 C ATOM 1589 CG LEU A 126 6.461 -1.528 4.813 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.766 -1.076 3.538 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.525 -2.569 4.493 1.00 10.00 C ATOM 0 H LEU A 126 5.997 -0.768 7.795 1.00 10.00 H new ATOM 0 HA LEU A 126 8.562 -1.453 6.582 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.283 0.374 5.784 1.00 10.00 H new ATOM 0 HB3 LEU A 126 7.754 0.180 4.852 1.00 10.00 H new ATOM 0 HG LEU A 126 5.721 -1.983 5.472 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.332 -1.940 3.034 1.00 10.00 H new ATOM 0 HD12 LEU A 126 4.977 -0.366 3.786 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.490 -0.597 2.879 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.065 -3.412 3.978 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.288 -2.125 3.853 1.00 10.00 H new ATOM 0 HD23 LEU A 126 7.985 -2.916 5.418 1.00 10.00 H new ATOM 1603 N LEU A 127 9.901 0.470 7.327 1.00 10.00 N ATOM 1604 CA LEU A 127 10.737 1.554 7.805 1.00 10.00 C ATOM 1605 C LEU A 127 11.435 2.236 6.648 1.00 10.00 C ATOM 1606 O LEU A 127 12.217 1.614 5.925 1.00 10.00 O ATOM 1607 CB LEU A 127 11.789 1.036 8.788 1.00 10.00 C ATOM 1608 CG LEU A 127 11.419 1.106 10.275 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.274 2.551 10.726 1.00 10.00 C ATOM 1610 CD2 LEU A 127 10.144 0.326 10.559 1.00 10.00 C ATOM 0 H LEU A 127 10.418 -0.346 7.000 1.00 10.00 H new ATOM 0 HA LEU A 127 10.092 2.270 8.314 1.00 10.00 H new ATOM 0 HB2 LEU A 127 12.010 -0.002 8.538 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.708 1.602 8.637 1.00 10.00 H new ATOM 0 HG LEU A 127 12.228 0.648 10.843 1.00 10.00 H new ATOM 0 HD11 LEU A 127 11.011 2.577 11.784 1.00 10.00 H new ATOM 0 HD12 LEU A 127 12.217 3.076 10.573 1.00 10.00 H new ATOM 0 HD13 LEU A 127 10.490 3.036 10.145 1.00 10.00 H new ATOM 0 HD21 LEU A 127 9.905 0.393 11.620 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.324 0.745 9.976 1.00 10.00 H new ATOM 0 HD23 LEU A 127 10.288 -0.719 10.285 1.00 10.00 H new ATOM 1622 N VAL A 128 11.133 3.503 6.456 1.00 10.00 N ATOM 1623 CA VAL A 128 11.759 4.272 5.403 1.00 10.00 C ATOM 1624 C VAL A 128 12.711 5.273 6.037 1.00 10.00 C ATOM 1625 O VAL A 128 12.281 6.147 6.792 1.00 10.00 O ATOM 1626 CB VAL A 128 10.716 5.034 4.558 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.350 5.593 3.295 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.538 4.136 4.213 1.00 10.00 C ATOM 0 H VAL A 128 10.457 4.022 7.016 1.00 10.00 H new ATOM 0 HA VAL A 128 12.291 3.587 4.743 1.00 10.00 H new ATOM 0 HB VAL A 128 10.345 5.869 5.153 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.597 6.126 2.715 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.153 6.279 3.564 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.756 4.775 2.699 1.00 10.00 H new ATOM 0 HG21 VAL A 128 8.816 4.695 3.617 1.00 10.00 H new ATOM 0 HG22 VAL A 128 9.890 3.276 3.643 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.062 3.792 5.131 1.00 10.00 H new ATOM 1638 N GLN A 129 13.993 5.154 5.728 1.00 10.00 N ATOM 1639 CA GLN A 129 14.992 6.044 6.293 1.00 10.00 C ATOM 1640 C GLN A 129 15.940 6.539 5.211 1.00 10.00 C ATOM 1641 O GLN A 129 16.298 5.795 4.300 1.00 10.00 O ATOM 1642 CB GLN A 129 15.795 5.329 7.388 1.00 10.00 C ATOM 1643 CG GLN A 129 14.956 4.832 8.558 1.00 10.00 C ATOM 1644 CD GLN A 129 14.297 5.956 9.335 1.00 10.00 C ATOM 1645 OE1 GLN A 129 14.793 7.082 9.377 1.00 10.00 O ATOM 1646 NE2 GLN A 129 13.174 5.653 9.967 1.00 10.00 N ATOM 0 H GLN A 129 14.365 4.450 5.090 1.00 10.00 H new ATOM 0 HA GLN A 129 14.473 6.897 6.731 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.317 4.481 6.944 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.557 6.010 7.766 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.187 4.156 8.185 1.00 10.00 H new ATOM 0 HG3 GLN A 129 15.589 4.254 9.232 1.00 10.00 H new ATOM 0 HE21 GLN A 129 12.794 4.708 9.908 1.00 10.00 H new ATOM 0 HE22 GLN A 129 12.688 6.364 10.513 1.00 10.00 H new ATOM 1655 N PRO A 130 16.342 7.806 5.290 1.00 10.00 N ATOM 1656 CA PRO A 130 17.264 8.391 4.328 1.00 10.00 C ATOM 1657 C PRO A 130 18.711 8.033 4.656 1.00 10.00 C ATOM 1658 O PRO A 130 19.076 7.904 5.825 1.00 10.00 O ATOM 1659 CB PRO A 130 17.025 9.888 4.493 1.00 10.00 C ATOM 1660 CG PRO A 130 16.613 10.054 5.915 1.00 10.00 C ATOM 1661 CD PRO A 130 15.923 8.776 6.320 1.00 10.00 C ATOM 0 HA PRO A 130 17.101 8.034 3.311 1.00 10.00 H new ATOM 0 HB2 PRO A 130 17.927 10.459 4.273 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.250 10.242 3.813 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.479 10.243 6.549 1.00 10.00 H new ATOM 0 HG3 PRO A 130 15.944 10.907 6.027 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.226 8.457 7.317 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.840 8.895 6.340 1.00 10.00 H new ATOM 1669 N VAL A 131 19.530 7.848 3.634 1.00 10.00 N ATOM 1670 CA VAL A 131 20.930 7.517 3.848 1.00 10.00 C ATOM 1671 C VAL A 131 21.826 8.680 3.435 1.00 10.00 C ATOM 1672 O VAL A 131 21.512 9.415 2.495 1.00 10.00 O ATOM 1673 CB VAL A 131 21.372 6.240 3.097 1.00 10.00 C ATOM 1674 CG1 VAL A 131 20.978 5.000 3.882 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.792 6.192 1.694 1.00 10.00 C ATOM 0 H VAL A 131 19.253 7.920 2.655 1.00 10.00 H new ATOM 0 HA VAL A 131 21.035 7.323 4.915 1.00 10.00 H new ATOM 0 HB VAL A 131 22.458 6.265 3.005 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.296 4.110 3.340 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.459 5.020 4.860 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.896 4.979 4.010 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.123 5.281 1.194 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.703 6.200 1.750 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.133 7.060 1.129 1.00 10.00 H new