USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 Single : A 38 MET CE :methyl -179:sc= 0 (180deg=-0.00104) USER MOD Single : A 40 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.36) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.23) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.13 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.933 K(o=-0.93,f=-1.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -55:sc= -0.186 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 72 TYR OH : rot -101:sc= 0.255 USER MOD Single : A 75 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 76 MET CE :methyl -169:sc= -0.621 (180deg=-0.819) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= -0.203 (180deg=-0.205) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 15.699 1.319 7.576 1.00 0.00 N ATOM 525 CA GLU A 37 14.908 2.381 8.187 1.00 0.00 C ATOM 526 C GLU A 37 13.758 2.797 7.274 1.00 0.00 C ATOM 527 O GLU A 37 12.680 3.159 7.743 1.00 0.00 O ATOM 528 CB GLU A 37 15.792 3.591 8.497 1.00 0.00 C ATOM 529 CG GLU A 37 16.514 3.492 9.830 1.00 0.00 C ATOM 530 CD GLU A 37 15.674 3.996 10.988 1.00 0.00 C ATOM 531 OE1 GLU A 37 15.088 5.092 10.862 1.00 0.00 O ATOM 532 OE2 GLU A 37 15.603 3.295 12.019 1.00 0.00 O ATOM 0 HA GLU A 37 14.489 1.998 9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.529 3.705 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.177 4.491 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.792 2.454 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.440 4.065 9.781 1.00 0.00 H new ATOM 539 N MET A 38 13.999 2.743 5.968 1.00 0.00 N ATOM 540 CA MET A 38 12.983 3.114 4.989 1.00 0.00 C ATOM 541 C MET A 38 11.981 1.982 4.790 1.00 0.00 C ATOM 542 O MET A 38 10.770 2.205 4.793 1.00 0.00 O ATOM 543 CB MET A 38 13.639 3.471 3.653 1.00 0.00 C ATOM 544 CG MET A 38 14.398 2.316 3.021 1.00 0.00 C ATOM 545 SD MET A 38 15.740 2.869 1.952 1.00 0.00 S ATOM 546 CE MET A 38 14.819 3.649 0.629 1.00 0.00 C ATOM 0 H MET A 38 14.887 2.447 5.563 1.00 0.00 H new ATOM 0 HA MET A 38 12.449 3.985 5.368 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.870 3.812 2.960 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.324 4.305 3.805 1.00 0.00 H new ATOM 0 HG2 MET A 38 14.804 1.680 3.807 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.706 1.705 2.442 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.512 4.027 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.150 2.920 0.172 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.234 4.476 1.031 1.00 0.00 H new ATOM 556 N ARG A 39 12.492 0.768 4.618 1.00 0.00 N ATOM 557 CA ARG A 39 11.641 -0.399 4.417 1.00 0.00 C ATOM 558 C ARG A 39 10.686 -0.584 5.592 1.00 0.00 C ATOM 559 O ARG A 39 9.556 -1.038 5.421 1.00 0.00 O ATOM 560 CB ARG A 39 12.495 -1.655 4.237 1.00 0.00 C ATOM 561 CG ARG A 39 13.130 -2.150 5.526 1.00 0.00 C ATOM 562 CD ARG A 39 14.119 -3.275 5.264 1.00 0.00 C ATOM 563 NE ARG A 39 14.491 -3.974 6.491 1.00 0.00 N ATOM 564 CZ ARG A 39 15.563 -4.751 6.598 1.00 0.00 C ATOM 565 NH1 ARG A 39 16.366 -4.926 5.557 1.00 0.00 N ATOM 566 NH2 ARG A 39 15.834 -5.354 7.748 1.00 0.00 N ATOM 0 H ARG A 39 13.492 0.566 4.614 1.00 0.00 H new ATOM 0 HA ARG A 39 11.052 -0.237 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.875 -2.448 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.281 -1.449 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.640 -1.324 6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.352 -2.499 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.683 -3.984 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.014 -2.868 4.793 1.00 0.00 H new ATOM 0 HE ARG A 39 13.895 -3.859 7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.161 -4.463 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.188 -5.523 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.219 -5.221 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.657 -5.951 7.829 1.00 0.00 H new ATOM 580 N ASN A 40 11.150 -0.230 6.786 1.00 0.00 N ATOM 581 CA ASN A 40 10.337 -0.359 7.991 1.00 0.00 C ATOM 582 C ASN A 40 9.427 0.854 8.165 1.00 0.00 C ATOM 583 O ASN A 40 8.440 0.801 8.899 1.00 0.00 O ATOM 584 CB ASN A 40 11.233 -0.519 9.221 1.00 0.00 C ATOM 585 CG ASN A 40 11.538 -1.972 9.528 1.00 0.00 C ATOM 586 OD1 ASN A 40 10.641 -2.814 9.555 1.00 0.00 O ATOM 587 ND2 ASN A 40 12.811 -2.273 9.762 1.00 0.00 N ATOM 0 H ASN A 40 12.084 0.148 6.945 1.00 0.00 H new ATOM 0 HA ASN A 40 9.714 -1.247 7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.167 0.019 9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.747 -0.062 10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.077 -3.235 9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.522 -1.543 9.729 1.00 0.00 H new ATOM 594 N SER A 41 9.767 1.944 7.485 1.00 0.00 N ATOM 595 CA SER A 41 8.983 3.171 7.567 1.00 0.00 C ATOM 596 C SER A 41 7.752 3.090 6.669 1.00 0.00 C ATOM 597 O SER A 41 6.623 3.265 7.128 1.00 0.00 O ATOM 598 CB SER A 41 9.839 4.376 7.171 1.00 0.00 C ATOM 599 OG SER A 41 9.172 5.592 7.461 1.00 0.00 O ATOM 0 H SER A 41 10.580 2.003 6.871 1.00 0.00 H new ATOM 0 HA SER A 41 8.652 3.293 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.789 4.342 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.069 4.329 6.107 1.00 0.00 H new ATOM 0 HG SER A 41 9.740 6.347 7.201 1.00 0.00 H new ATOM 605 N ILE A 42 7.979 2.824 5.387 1.00 0.00 N ATOM 606 CA ILE A 42 6.889 2.718 4.425 1.00 0.00 C ATOM 607 C ILE A 42 5.959 1.561 4.773 1.00 0.00 C ATOM 608 O ILE A 42 4.771 1.586 4.449 1.00 0.00 O ATOM 609 CB ILE A 42 7.420 2.523 2.993 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.224 3.748 2.552 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.269 2.263 2.032 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.701 3.646 2.863 1.00 0.00 C ATOM 0 H ILE A 42 8.907 2.678 4.991 1.00 0.00 H new ATOM 0 HA ILE A 42 6.333 3.654 4.473 1.00 0.00 H new ATOM 0 HB ILE A 42 8.080 1.656 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.096 3.889 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.818 4.634 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.660 2.127 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.735 1.363 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.586 3.112 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.208 4.549 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.840 3.536 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.121 2.780 2.352 1.00 0.00 H new ATOM 624 N LEU A 43 6.506 0.547 5.435 1.00 0.00 N ATOM 625 CA LEU A 43 5.725 -0.620 5.829 1.00 0.00 C ATOM 626 C LEU A 43 4.964 -0.354 7.123 1.00 0.00 C ATOM 627 O LEU A 43 3.875 -0.887 7.336 1.00 0.00 O ATOM 628 CB LEU A 43 6.639 -1.835 6.002 1.00 0.00 C ATOM 629 CG LEU A 43 7.078 -2.533 4.714 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.088 -3.629 5.019 1.00 0.00 C ATOM 631 CD2 LEU A 43 5.874 -3.103 3.979 1.00 0.00 C ATOM 0 H LEU A 43 7.487 0.510 5.710 1.00 0.00 H new ATOM 0 HA LEU A 43 5.002 -0.826 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.531 -1.519 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.127 -2.564 6.630 1.00 0.00 H new ATOM 0 HG LEU A 43 7.556 -1.796 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.389 -4.115 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.963 -3.193 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.636 -4.365 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.205 -3.596 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.367 -3.826 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.186 -2.296 3.727 1.00 0.00 H new ATOM 643 N ALA A 44 5.542 0.477 7.984 1.00 0.00 N ATOM 644 CA ALA A 44 4.917 0.818 9.256 1.00 0.00 C ATOM 645 C ALA A 44 3.759 1.790 9.055 1.00 0.00 C ATOM 646 O ALA A 44 2.827 1.833 9.857 1.00 0.00 O ATOM 647 CB ALA A 44 5.945 1.409 10.209 1.00 0.00 C ATOM 0 H ALA A 44 6.443 0.927 7.823 1.00 0.00 H new ATOM 0 HA ALA A 44 4.518 -0.097 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.463 1.659 11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.737 0.682 10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.372 2.311 9.770 1.00 0.00 H new ATOM 653 N GLN A 45 3.825 2.568 7.979 1.00 0.00 N ATOM 654 CA GLN A 45 2.783 3.540 7.674 1.00 0.00 C ATOM 655 C GLN A 45 1.623 2.881 6.935 1.00 0.00 C ATOM 656 O GLN A 45 0.465 3.264 7.108 1.00 0.00 O ATOM 657 CB GLN A 45 3.353 4.685 6.835 1.00 0.00 C ATOM 658 CG GLN A 45 3.815 4.254 5.452 1.00 0.00 C ATOM 659 CD GLN A 45 4.279 5.420 4.602 1.00 0.00 C ATOM 660 OE1 GLN A 45 3.620 5.798 3.633 1.00 0.00 O ATOM 661 NE2 GLN A 45 5.419 5.999 4.962 1.00 0.00 N ATOM 0 H GLN A 45 4.590 2.544 7.304 1.00 0.00 H new ATOM 0 HA GLN A 45 2.409 3.941 8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.594 5.460 6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.193 5.131 7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.629 3.536 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.998 3.741 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.933 5.653 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.780 6.789 4.428 1.00 0.00 H new ATOM 670 N VAL A 46 1.940 1.888 6.111 1.00 0.00 N ATOM 671 CA VAL A 46 0.924 1.175 5.346 1.00 0.00 C ATOM 672 C VAL A 46 0.322 0.035 6.160 1.00 0.00 C ATOM 673 O VAL A 46 -0.734 -0.497 5.817 1.00 0.00 O ATOM 674 CB VAL A 46 1.504 0.606 4.037 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.005 1.729 3.142 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.618 -0.387 4.336 1.00 0.00 C ATOM 0 H VAL A 46 2.893 1.559 5.956 1.00 0.00 H new ATOM 0 HA VAL A 46 0.144 1.897 5.106 1.00 0.00 H new ATOM 0 HB VAL A 46 0.711 0.079 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.411 1.308 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.179 2.398 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.785 2.287 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.017 -0.779 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.414 0.114 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.223 -1.208 4.934 1.00 0.00 H new ATOM 686 N LEU A 47 1.001 -0.335 7.241 1.00 0.00 N ATOM 687 CA LEU A 47 0.533 -1.412 8.107 1.00 0.00 C ATOM 688 C LEU A 47 0.182 -0.883 9.494 1.00 0.00 C ATOM 689 O LEU A 47 1.043 -0.370 10.209 1.00 0.00 O ATOM 690 CB LEU A 47 1.599 -2.502 8.219 1.00 0.00 C ATOM 691 CG LEU A 47 1.961 -3.224 6.920 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.086 -4.219 7.157 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.740 -3.924 6.341 1.00 0.00 C ATOM 0 H LEU A 47 1.877 0.095 7.538 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.367 -1.837 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.505 -2.055 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.257 -3.244 8.940 1.00 0.00 H new ATOM 0 HG LEU A 47 2.306 -2.483 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.329 -4.723 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.966 -3.692 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.770 -4.957 7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.016 -4.432 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.365 -4.654 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.036 -3.188 6.132 1.00 0.00 H new ATOM 705 N ASP A 48 -1.086 -1.012 9.868 1.00 0.00 N ATOM 706 CA ASP A 48 -1.550 -0.550 11.171 1.00 0.00 C ATOM 707 C ASP A 48 -1.188 -1.552 12.263 1.00 0.00 C ATOM 708 O ASP A 48 -0.853 -2.701 11.977 1.00 0.00 O ATOM 709 CB ASP A 48 -3.062 -0.325 11.147 1.00 0.00 C ATOM 710 CG ASP A 48 -3.510 0.706 12.164 1.00 0.00 C ATOM 711 OD1 ASP A 48 -2.707 1.605 12.492 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.665 0.616 12.631 1.00 0.00 O ATOM 0 H ASP A 48 -1.811 -1.433 9.287 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.054 0.395 11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.363 -0.002 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.570 -1.269 11.343 1.00 0.00 H new ATOM 717 N GLN A 49 -1.258 -1.107 13.513 1.00 0.00 N ATOM 718 CA GLN A 49 -0.936 -1.965 14.648 1.00 0.00 C ATOM 719 C GLN A 49 -1.494 -3.370 14.443 1.00 0.00 C ATOM 720 O GLN A 49 -0.884 -4.357 14.855 1.00 0.00 O ATOM 721 CB GLN A 49 -1.492 -1.366 15.941 1.00 0.00 C ATOM 722 CG GLN A 49 -2.988 -1.572 16.113 1.00 0.00 C ATOM 723 CD GLN A 49 -3.614 -0.552 17.043 1.00 0.00 C ATOM 724 OE1 GLN A 49 -4.260 0.397 16.597 1.00 0.00 O ATOM 725 NE2 GLN A 49 -3.427 -0.741 18.344 1.00 0.00 N ATOM 0 H GLN A 49 -1.534 -0.158 13.766 1.00 0.00 H new ATOM 0 HA GLN A 49 0.149 -2.032 14.725 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.973 -1.810 16.790 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.276 -0.298 15.959 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.473 -1.516 15.139 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.171 -2.574 16.502 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.885 -1.541 18.670 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.826 -0.086 19.017 1.00 0.00 H new ATOM 734 N SER A 50 -2.658 -3.452 13.805 1.00 0.00 N ATOM 735 CA SER A 50 -3.300 -4.736 13.550 1.00 0.00 C ATOM 736 C SER A 50 -2.453 -5.591 12.612 1.00 0.00 C ATOM 737 O SER A 50 -1.875 -6.596 13.023 1.00 0.00 O ATOM 738 CB SER A 50 -4.691 -4.524 12.948 1.00 0.00 C ATOM 739 OG SER A 50 -5.565 -5.582 13.299 1.00 0.00 O ATOM 0 H SER A 50 -3.175 -2.645 13.456 1.00 0.00 H new ATOM 0 HA SER A 50 -3.399 -5.260 14.501 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.102 -3.577 13.298 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.615 -4.456 11.863 1.00 0.00 H new ATOM 0 HG SER A 50 -6.447 -5.422 12.904 1.00 0.00 H new ATOM 745 N ALA A 51 -2.385 -5.182 11.349 1.00 0.00 N ATOM 746 CA ALA A 51 -1.607 -5.908 10.353 1.00 0.00 C ATOM 747 C ALA A 51 -0.192 -6.180 10.852 1.00 0.00 C ATOM 748 O ALA A 51 0.272 -7.320 10.841 1.00 0.00 O ATOM 749 CB ALA A 51 -1.567 -5.130 9.045 1.00 0.00 C ATOM 0 H ALA A 51 -2.859 -4.352 10.992 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.093 -6.868 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.983 -5.684 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.582 -4.992 8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.108 -4.156 9.215 1.00 0.00 H new ATOM 755 N ARG A 52 0.489 -5.126 11.288 1.00 0.00 N ATOM 756 CA ARG A 52 1.853 -5.251 11.789 1.00 0.00 C ATOM 757 C ARG A 52 2.029 -6.552 12.566 1.00 0.00 C ATOM 758 O ARG A 52 2.961 -7.315 12.317 1.00 0.00 O ATOM 759 CB ARG A 52 2.202 -4.060 12.683 1.00 0.00 C ATOM 760 CG ARG A 52 2.248 -2.734 11.940 1.00 0.00 C ATOM 761 CD ARG A 52 3.640 -2.444 11.403 1.00 0.00 C ATOM 762 NE ARG A 52 4.056 -3.425 10.404 1.00 0.00 N ATOM 763 CZ ARG A 52 5.326 -3.699 10.128 1.00 0.00 C ATOM 764 NH1 ARG A 52 6.299 -3.071 10.774 1.00 0.00 N ATOM 765 NH2 ARG A 52 5.625 -4.605 9.205 1.00 0.00 N ATOM 0 H ARG A 52 0.119 -4.176 11.305 1.00 0.00 H new ATOM 0 HA ARG A 52 2.528 -5.264 10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.468 -3.992 13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.170 -4.239 13.151 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.535 -2.753 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.940 -1.930 12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.658 -1.447 10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.353 -2.441 12.227 1.00 0.00 H new ATOM 0 HE ARG A 52 3.332 -3.927 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.073 -2.375 11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.273 -3.284 10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.879 -5.091 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.601 -4.815 8.994 1.00 0.00 H new ATOM 779 N ALA A 53 1.125 -6.799 13.510 1.00 0.00 N ATOM 780 CA ALA A 53 1.180 -8.007 14.322 1.00 0.00 C ATOM 781 C ALA A 53 0.976 -9.253 13.467 1.00 0.00 C ATOM 782 O ALA A 53 1.798 -10.170 13.483 1.00 0.00 O ATOM 783 CB ALA A 53 0.136 -7.948 15.428 1.00 0.00 C ATOM 0 H ALA A 53 0.347 -6.178 13.730 1.00 0.00 H new ATOM 0 HA ALA A 53 2.170 -8.066 14.774 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.189 -8.857 16.027 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.328 -7.083 16.063 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.857 -7.861 14.987 1.00 0.00 H new ATOM 789 N ARG A 54 -0.124 -9.281 12.722 1.00 0.00 N ATOM 790 CA ARG A 54 -0.436 -10.416 11.862 1.00 0.00 C ATOM 791 C ARG A 54 0.772 -10.804 11.015 1.00 0.00 C ATOM 792 O ARG A 54 1.082 -11.986 10.862 1.00 0.00 O ATOM 793 CB ARG A 54 -1.623 -10.084 10.955 1.00 0.00 C ATOM 794 CG ARG A 54 -2.108 -11.266 10.131 1.00 0.00 C ATOM 795 CD ARG A 54 -2.949 -12.219 10.966 1.00 0.00 C ATOM 796 NE ARG A 54 -3.722 -13.138 10.134 1.00 0.00 N ATOM 797 CZ ARG A 54 -4.505 -14.091 10.626 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.619 -14.250 11.937 1.00 0.00 N ATOM 799 NH2 ARG A 54 -5.177 -14.888 9.805 1.00 0.00 N ATOM 0 H ARG A 54 -0.814 -8.530 12.697 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.699 -11.261 12.498 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.446 -9.717 11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.340 -9.274 10.282 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.695 -10.906 9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.252 -11.800 9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.299 -12.790 11.630 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.626 -11.646 11.599 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.657 -13.042 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.104 -13.639 12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.221 -14.983 12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.092 -14.769 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.778 -15.620 10.183 1.00 0.00 H new ATOM 813 N LEU A 55 1.450 -9.802 10.466 1.00 0.00 N ATOM 814 CA LEU A 55 2.624 -10.038 9.633 1.00 0.00 C ATOM 815 C LEU A 55 3.749 -10.672 10.445 1.00 0.00 C ATOM 816 O LEU A 55 4.182 -11.788 10.159 1.00 0.00 O ATOM 817 CB LEU A 55 3.105 -8.726 9.012 1.00 0.00 C ATOM 818 CG LEU A 55 4.249 -8.841 8.003 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.709 -9.153 6.617 1.00 0.00 C ATOM 820 CD2 LEU A 55 5.071 -7.560 7.982 1.00 0.00 C ATOM 0 H LEU A 55 1.207 -8.818 10.583 1.00 0.00 H new ATOM 0 HA LEU A 55 2.342 -10.727 8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.258 -8.249 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.421 -8.061 9.816 1.00 0.00 H new ATOM 0 HG LEU A 55 4.898 -9.661 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.537 -9.231 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.164 -10.097 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.037 -8.355 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.881 -7.659 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.433 -6.723 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.489 -7.380 8.972 1.00 0.00 H new ATOM 832 N SER A 56 4.216 -9.954 11.461 1.00 0.00 N ATOM 833 CA SER A 56 5.291 -10.445 12.315 1.00 0.00 C ATOM 834 C SER A 56 5.114 -11.931 12.610 1.00 0.00 C ATOM 835 O SER A 56 6.066 -12.707 12.539 1.00 0.00 O ATOM 836 CB SER A 56 5.334 -9.655 13.624 1.00 0.00 C ATOM 837 OG SER A 56 6.644 -9.630 14.162 1.00 0.00 O ATOM 0 H SER A 56 3.866 -9.029 11.713 1.00 0.00 H new ATOM 0 HA SER A 56 6.234 -10.307 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.990 -8.636 13.449 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.650 -10.103 14.345 1.00 0.00 H new ATOM 0 HG SER A 56 6.645 -9.118 14.997 1.00 0.00 H new ATOM 843 N ASN A 57 3.887 -12.320 12.943 1.00 0.00 N ATOM 844 CA ASN A 57 3.584 -13.713 13.250 1.00 0.00 C ATOM 845 C ASN A 57 3.998 -14.626 12.101 1.00 0.00 C ATOM 846 O ASN A 57 4.628 -15.663 12.313 1.00 0.00 O ATOM 847 CB ASN A 57 2.090 -13.880 13.537 1.00 0.00 C ATOM 848 CG ASN A 57 1.626 -15.314 13.370 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.400 -16.254 13.553 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.357 -15.488 13.021 1.00 0.00 N ATOM 0 H ASN A 57 3.087 -11.690 13.007 1.00 0.00 H new ATOM 0 HA ASN A 57 4.151 -13.996 14.137 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.879 -13.549 14.554 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.520 -13.236 12.867 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.012 -16.430 12.894 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.249 -14.679 12.880 1.00 0.00 H new ATOM 857 N LEU A 58 3.640 -14.235 10.883 1.00 0.00 N ATOM 858 CA LEU A 58 3.974 -15.017 9.698 1.00 0.00 C ATOM 859 C LEU A 58 5.480 -15.240 9.600 1.00 0.00 C ATOM 860 O LEU A 58 5.933 -16.270 9.101 1.00 0.00 O ATOM 861 CB LEU A 58 3.468 -14.313 8.438 1.00 0.00 C ATOM 862 CG LEU A 58 3.454 -15.152 7.160 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.501 -16.329 7.304 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.068 -14.295 5.963 1.00 0.00 C ATOM 0 H LEU A 58 3.118 -13.380 10.690 1.00 0.00 H new ATOM 0 HA LEU A 58 3.486 -15.988 9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.455 -13.958 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.087 -13.433 8.264 1.00 0.00 H new ATOM 0 HG LEU A 58 4.458 -15.542 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.504 -16.915 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.821 -16.957 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.493 -15.960 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.063 -14.909 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.075 -13.875 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.789 -13.486 5.847 1.00 0.00 H new ATOM 876 N ALA A 59 6.249 -14.270 10.082 1.00 0.00 N ATOM 877 CA ALA A 59 7.704 -14.362 10.052 1.00 0.00 C ATOM 878 C ALA A 59 8.188 -15.619 10.766 1.00 0.00 C ATOM 879 O ALA A 59 9.295 -16.100 10.516 1.00 0.00 O ATOM 880 CB ALA A 59 8.324 -13.123 10.681 1.00 0.00 C ATOM 0 H ALA A 59 5.889 -13.411 10.498 1.00 0.00 H new ATOM 0 HA ALA A 59 8.019 -14.423 9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.411 -13.205 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.012 -12.238 10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.994 -13.037 11.716 1.00 0.00 H new ATOM 886 N LEU A 60 7.355 -16.147 11.656 1.00 0.00 N ATOM 887 CA LEU A 60 7.699 -17.349 12.407 1.00 0.00 C ATOM 888 C LEU A 60 7.416 -18.604 11.588 1.00 0.00 C ATOM 889 O LEU A 60 8.335 -19.250 11.083 1.00 0.00 O ATOM 890 CB LEU A 60 6.915 -17.396 13.720 1.00 0.00 C ATOM 891 CG LEU A 60 7.176 -16.250 14.699 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.110 -16.222 15.783 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.562 -16.379 15.313 1.00 0.00 C ATOM 0 H LEU A 60 6.436 -15.762 11.875 1.00 0.00 H new ATOM 0 HA LEU A 60 8.766 -17.315 12.628 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.851 -17.411 13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.143 -18.336 14.223 1.00 0.00 H new ATOM 0 HG LEU A 60 7.131 -15.310 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.312 -15.401 16.470 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.130 -16.081 15.326 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.123 -17.165 16.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.731 -15.555 16.007 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.636 -17.326 15.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.314 -16.349 14.524 1.00 0.00 H new ATOM 905 N VAL A 61 6.137 -18.943 11.457 1.00 0.00 N ATOM 906 CA VAL A 61 5.732 -20.118 10.695 1.00 0.00 C ATOM 907 C VAL A 61 6.497 -20.211 9.380 1.00 0.00 C ATOM 908 O VAL A 61 7.029 -21.266 9.031 1.00 0.00 O ATOM 909 CB VAL A 61 4.221 -20.100 10.397 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.838 -18.827 9.656 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.821 -21.332 9.599 1.00 0.00 C ATOM 0 H VAL A 61 5.364 -18.420 11.869 1.00 0.00 H new ATOM 0 HA VAL A 61 5.964 -20.988 11.309 1.00 0.00 H new ATOM 0 HB VAL A 61 3.681 -20.117 11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.767 -18.832 9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.088 -17.960 10.268 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.385 -18.776 8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.750 -21.303 9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.368 -21.348 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.058 -22.229 10.171 1.00 0.00 H new ATOM 921 N LYS A 62 6.550 -19.101 8.652 1.00 0.00 N ATOM 922 CA LYS A 62 7.252 -19.055 7.375 1.00 0.00 C ATOM 923 C LYS A 62 7.569 -17.616 6.980 1.00 0.00 C ATOM 924 O LYS A 62 6.697 -16.858 6.553 1.00 0.00 O ATOM 925 CB LYS A 62 6.412 -19.722 6.284 1.00 0.00 C ATOM 926 CG LYS A 62 4.957 -19.285 6.283 1.00 0.00 C ATOM 927 CD LYS A 62 4.349 -19.373 4.894 1.00 0.00 C ATOM 928 CE LYS A 62 2.835 -19.509 4.955 1.00 0.00 C ATOM 929 NZ LYS A 62 2.299 -20.269 3.792 1.00 0.00 N ATOM 0 H LYS A 62 6.115 -18.220 8.925 1.00 0.00 H new ATOM 0 HA LYS A 62 8.191 -19.598 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.851 -19.498 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.458 -20.803 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.388 -19.911 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.884 -18.261 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.613 -18.482 4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.771 -20.227 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.553 -20.013 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.382 -18.518 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.264 -20.340 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.546 -19.775 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.711 -21.224 3.781 1.00 0.00 H new ATOM 943 N PRO A 63 8.845 -17.230 7.122 1.00 0.00 N ATOM 944 CA PRO A 63 9.306 -15.880 6.782 1.00 0.00 C ATOM 945 C PRO A 63 9.293 -15.624 5.279 1.00 0.00 C ATOM 946 O PRO A 63 8.904 -14.548 4.828 1.00 0.00 O ATOM 947 CB PRO A 63 10.740 -15.850 7.318 1.00 0.00 C ATOM 948 CG PRO A 63 11.172 -17.276 7.325 1.00 0.00 C ATOM 949 CD PRO A 63 9.937 -18.081 7.624 1.00 0.00 C ATOM 0 HA PRO A 63 8.661 -15.110 7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.387 -15.244 6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.780 -15.419 8.319 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.599 -17.559 6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.941 -17.447 8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.956 -19.048 7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.835 -18.278 8.691 1.00 0.00 H new ATOM 957 N GLU A 64 9.721 -16.620 4.510 1.00 0.00 N ATOM 958 CA GLU A 64 9.759 -16.500 3.057 1.00 0.00 C ATOM 959 C GLU A 64 8.555 -15.714 2.545 1.00 0.00 C ATOM 960 O GLU A 64 8.704 -14.735 1.814 1.00 0.00 O ATOM 961 CB GLU A 64 9.789 -17.887 2.410 1.00 0.00 C ATOM 962 CG GLU A 64 10.374 -17.890 1.007 1.00 0.00 C ATOM 963 CD GLU A 64 10.162 -19.210 0.291 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.197 -20.262 0.963 1.00 0.00 O ATOM 965 OE2 GLU A 64 9.962 -19.191 -0.942 1.00 0.00 O ATOM 0 H GLU A 64 10.046 -17.518 4.868 1.00 0.00 H new ATOM 0 HA GLU A 64 10.666 -15.960 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.371 -18.560 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.774 -18.284 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.919 -17.088 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.442 -17.678 1.062 1.00 0.00 H new ATOM 972 N LYS A 65 7.362 -16.151 2.933 1.00 0.00 N ATOM 973 CA LYS A 65 6.131 -15.490 2.515 1.00 0.00 C ATOM 974 C LYS A 65 6.093 -14.048 3.011 1.00 0.00 C ATOM 975 O LYS A 65 5.647 -13.147 2.300 1.00 0.00 O ATOM 976 CB LYS A 65 4.914 -16.254 3.040 1.00 0.00 C ATOM 977 CG LYS A 65 3.587 -15.659 2.603 1.00 0.00 C ATOM 978 CD LYS A 65 3.356 -15.847 1.113 1.00 0.00 C ATOM 979 CE LYS A 65 2.944 -17.275 0.788 1.00 0.00 C ATOM 980 NZ LYS A 65 1.488 -17.496 1.007 1.00 0.00 N ATOM 0 H LYS A 65 7.221 -16.961 3.537 1.00 0.00 H new ATOM 0 HA LYS A 65 6.104 -15.482 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.969 -17.288 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.952 -16.276 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.776 -16.128 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.567 -14.596 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.582 -15.158 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.266 -15.597 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.193 -17.497 -0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.514 -17.967 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.247 -18.481 0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.254 -17.308 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.944 -16.853 0.397 1.00 0.00 H new ATOM 994 N THR A 66 6.565 -13.836 4.236 1.00 0.00 N ATOM 995 CA THR A 66 6.584 -12.503 4.827 1.00 0.00 C ATOM 996 C THR A 66 7.445 -11.550 4.005 1.00 0.00 C ATOM 997 O THR A 66 7.057 -10.410 3.750 1.00 0.00 O ATOM 998 CB THR A 66 7.114 -12.538 6.273 1.00 0.00 C ATOM 999 OG1 THR A 66 6.673 -13.733 6.927 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.638 -11.321 7.052 1.00 0.00 C ATOM 0 H THR A 66 6.939 -14.570 4.838 1.00 0.00 H new ATOM 0 HA THR A 66 5.555 -12.145 4.834 1.00 0.00 H new ATOM 0 HB THR A 66 8.203 -12.525 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.696 -13.794 6.874 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.024 -11.367 8.070 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.000 -10.414 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.548 -11.309 7.078 1.00 0.00 H new ATOM 1008 N LYS A 67 8.615 -12.025 3.592 1.00 0.00 N ATOM 1009 CA LYS A 67 9.531 -11.216 2.797 1.00 0.00 C ATOM 1010 C LYS A 67 8.841 -10.685 1.544 1.00 0.00 C ATOM 1011 O LYS A 67 8.859 -9.484 1.276 1.00 0.00 O ATOM 1012 CB LYS A 67 10.761 -12.038 2.405 1.00 0.00 C ATOM 1013 CG LYS A 67 11.731 -12.267 3.552 1.00 0.00 C ATOM 1014 CD LYS A 67 13.100 -12.691 3.048 1.00 0.00 C ATOM 1015 CE LYS A 67 14.112 -12.766 4.181 1.00 0.00 C ATOM 1016 NZ LYS A 67 15.491 -13.012 3.677 1.00 0.00 N ATOM 0 H LYS A 67 8.951 -12.966 3.795 1.00 0.00 H new ATOM 0 HA LYS A 67 9.847 -10.367 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.434 -13.003 2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.284 -11.530 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.825 -11.353 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.334 -13.033 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.025 -13.663 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.447 -11.983 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.093 -11.835 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.829 -13.563 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.151 -13.056 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.515 -13.913 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.771 -12.239 3.041 1.00 0.00 H new ATOM 1030 N ALA A 68 8.233 -11.587 0.782 1.00 0.00 N ATOM 1031 CA ALA A 68 7.534 -11.209 -0.440 1.00 0.00 C ATOM 1032 C ALA A 68 6.533 -10.089 -0.176 1.00 0.00 C ATOM 1033 O ALA A 68 6.484 -9.101 -0.908 1.00 0.00 O ATOM 1034 CB ALA A 68 6.832 -12.417 -1.042 1.00 0.00 C ATOM 0 H ALA A 68 8.210 -12.585 0.989 1.00 0.00 H new ATOM 0 HA ALA A 68 8.272 -10.840 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.314 -12.120 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.568 -13.186 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.110 -12.812 -0.327 1.00 0.00 H new ATOM 1040 N VAL A 69 5.735 -10.252 0.875 1.00 0.00 N ATOM 1041 CA VAL A 69 4.735 -9.254 1.236 1.00 0.00 C ATOM 1042 C VAL A 69 5.381 -7.901 1.508 1.00 0.00 C ATOM 1043 O VAL A 69 5.053 -6.905 0.864 1.00 0.00 O ATOM 1044 CB VAL A 69 3.934 -9.687 2.479 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.935 -8.610 2.872 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.231 -11.012 2.225 1.00 0.00 C ATOM 0 H VAL A 69 5.762 -11.065 1.491 1.00 0.00 H new ATOM 0 HA VAL A 69 4.057 -9.165 0.388 1.00 0.00 H new ATOM 0 HB VAL A 69 4.628 -9.824 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.379 -8.933 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.467 -7.686 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.243 -8.438 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.670 -11.302 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.547 -10.906 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.971 -11.779 1.996 1.00 0.00 H new ATOM 1056 N GLU A 70 6.303 -7.872 2.466 1.00 0.00 N ATOM 1057 CA GLU A 70 6.995 -6.640 2.822 1.00 0.00 C ATOM 1058 C GLU A 70 7.485 -5.911 1.574 1.00 0.00 C ATOM 1059 O GLU A 70 7.431 -4.684 1.498 1.00 0.00 O ATOM 1060 CB GLU A 70 8.176 -6.941 3.747 1.00 0.00 C ATOM 1061 CG GLU A 70 7.762 -7.452 5.117 1.00 0.00 C ATOM 1062 CD GLU A 70 8.770 -7.110 6.197 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.980 -7.312 5.963 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.349 -6.641 7.275 1.00 0.00 O ATOM 0 H GLU A 70 6.587 -8.688 3.009 1.00 0.00 H new ATOM 0 HA GLU A 70 6.289 -5.995 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.819 -7.681 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.770 -6.035 3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.794 -7.027 5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.635 -8.534 5.074 1.00 0.00 H new ATOM 1071 N ASN A 71 7.965 -6.676 0.599 1.00 0.00 N ATOM 1072 CA ASN A 71 8.466 -6.104 -0.645 1.00 0.00 C ATOM 1073 C ASN A 71 7.315 -5.655 -1.540 1.00 0.00 C ATOM 1074 O ASN A 71 7.465 -4.740 -2.350 1.00 0.00 O ATOM 1075 CB ASN A 71 9.335 -7.122 -1.386 1.00 0.00 C ATOM 1076 CG ASN A 71 10.184 -6.481 -2.466 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.867 -5.485 -2.225 1.00 0.00 O ATOM 1078 ND2 ASN A 71 10.145 -7.050 -3.665 1.00 0.00 N ATOM 0 H ASN A 71 8.018 -7.694 0.647 1.00 0.00 H new ATOM 0 HA ASN A 71 9.071 -5.232 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.983 -7.630 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.696 -7.883 -1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.695 -6.663 -4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.565 -7.875 -3.820 1.00 0.00 H new ATOM 1085 N TYR A 72 6.166 -6.304 -1.387 1.00 0.00 N ATOM 1086 CA TYR A 72 4.990 -5.973 -2.182 1.00 0.00 C ATOM 1087 C TYR A 72 4.387 -4.644 -1.737 1.00 0.00 C ATOM 1088 O TYR A 72 4.002 -3.816 -2.564 1.00 0.00 O ATOM 1089 CB TYR A 72 3.943 -7.084 -2.069 1.00 0.00 C ATOM 1090 CG TYR A 72 2.669 -6.795 -2.830 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.695 -6.536 -4.195 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.439 -6.781 -2.184 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.534 -6.271 -4.894 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.272 -6.519 -2.876 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.325 -6.263 -4.230 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.835 -6.001 -4.923 1.00 0.00 O ATOM 0 H TYR A 72 6.024 -7.062 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 72 5.301 -5.880 -3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.373 -8.016 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.701 -7.238 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.640 -6.542 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.394 -6.978 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.572 -6.071 -5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.676 -6.515 -2.359 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.105 -5.071 -4.770 1.00 0.00 H new ATOM 1106 N LEU A 73 4.310 -4.447 -0.426 1.00 0.00 N ATOM 1107 CA LEU A 73 3.755 -3.218 0.132 1.00 0.00 C ATOM 1108 C LEU A 73 4.647 -2.023 -0.190 1.00 0.00 C ATOM 1109 O LEU A 73 4.158 -0.944 -0.524 1.00 0.00 O ATOM 1110 CB LEU A 73 3.589 -3.352 1.646 1.00 0.00 C ATOM 1111 CG LEU A 73 2.391 -4.177 2.120 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.499 -4.469 3.608 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.089 -3.453 1.809 1.00 0.00 C ATOM 0 H LEU A 73 4.625 -5.122 0.271 1.00 0.00 H new ATOM 0 HA LEU A 73 2.778 -3.051 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.496 -3.799 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.508 -2.352 2.072 1.00 0.00 H new ATOM 0 HG LEU A 73 2.393 -5.126 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.638 -5.057 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.413 -5.029 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.523 -3.531 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.247 -4.054 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.078 -2.489 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.008 -3.297 0.733 1.00 0.00 H new ATOM 1125 N ILE A 74 5.957 -2.225 -0.089 1.00 0.00 N ATOM 1126 CA ILE A 74 6.917 -1.165 -0.372 1.00 0.00 C ATOM 1127 C ILE A 74 6.761 -0.650 -1.799 1.00 0.00 C ATOM 1128 O ILE A 74 6.690 0.557 -2.028 1.00 0.00 O ATOM 1129 CB ILE A 74 8.365 -1.648 -0.167 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.678 -1.773 1.325 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.341 -0.694 -0.840 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.840 -2.694 1.624 1.00 0.00 C ATOM 0 H ILE A 74 6.377 -3.113 0.187 1.00 0.00 H new ATOM 0 HA ILE A 74 6.711 -0.356 0.328 1.00 0.00 H new ATOM 0 HB ILE A 74 8.473 -2.631 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.897 -0.783 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.792 -2.139 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.360 -1.048 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.129 -0.650 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.234 0.301 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.005 -2.734 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.616 -3.694 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.738 -2.318 1.134 1.00 0.00 H new ATOM 1144 N GLN A 75 6.707 -1.573 -2.753 1.00 0.00 N ATOM 1145 CA GLN A 75 6.558 -1.211 -4.158 1.00 0.00 C ATOM 1146 C GLN A 75 5.220 -0.522 -4.404 1.00 0.00 C ATOM 1147 O GLN A 75 5.120 0.382 -5.233 1.00 0.00 O ATOM 1148 CB GLN A 75 6.675 -2.454 -5.041 1.00 0.00 C ATOM 1149 CG GLN A 75 5.592 -3.489 -4.783 1.00 0.00 C ATOM 1150 CD GLN A 75 5.440 -4.473 -5.926 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.424 -5.008 -6.435 1.00 0.00 O ATOM 1152 NE2 GLN A 75 4.200 -4.716 -6.337 1.00 0.00 N ATOM 0 H GLN A 75 6.764 -2.576 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 75 7.356 -0.515 -4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.634 -2.151 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.650 -2.913 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.826 -4.034 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.642 -2.981 -4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.413 -4.250 -5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.035 -5.369 -7.103 1.00 0.00 H new ATOM 1161 N MET A 76 4.194 -0.956 -3.679 1.00 0.00 N ATOM 1162 CA MET A 76 2.862 -0.380 -3.818 1.00 0.00 C ATOM 1163 C MET A 76 2.823 1.040 -3.262 1.00 0.00 C ATOM 1164 O MET A 76 2.192 1.925 -3.838 1.00 0.00 O ATOM 1165 CB MET A 76 1.829 -1.250 -3.100 1.00 0.00 C ATOM 1166 CG MET A 76 1.445 -2.501 -3.874 1.00 0.00 C ATOM 1167 SD MET A 76 -0.198 -3.106 -3.445 1.00 0.00 S ATOM 1168 CE MET A 76 -0.019 -3.351 -1.680 1.00 0.00 C ATOM 0 H MET A 76 4.260 -1.705 -2.989 1.00 0.00 H new ATOM 0 HA MET A 76 2.619 -0.342 -4.880 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.225 -1.542 -2.127 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.933 -0.658 -2.915 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.482 -2.288 -4.942 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.178 -3.283 -3.679 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.879 -3.903 -1.300 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.892 -3.916 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.039 -2.383 -1.182 1.00 0.00 H new ATOM 1178 N ALA A 77 3.501 1.249 -2.138 1.00 0.00 N ATOM 1179 CA ALA A 77 3.545 2.562 -1.506 1.00 0.00 C ATOM 1180 C ALA A 77 4.239 3.581 -2.403 1.00 0.00 C ATOM 1181 O ALA A 77 3.651 4.595 -2.777 1.00 0.00 O ATOM 1182 CB ALA A 77 4.248 2.476 -0.159 1.00 0.00 C ATOM 0 H ALA A 77 4.027 0.526 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 77 2.520 2.896 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.274 3.464 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.708 1.787 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.267 2.116 -0.303 1.00 0.00 H new ATOM 1188 N ARG A 78 5.494 3.305 -2.743 1.00 0.00 N ATOM 1189 CA ARG A 78 6.269 4.199 -3.595 1.00 0.00 C ATOM 1190 C ARG A 78 5.463 4.615 -4.822 1.00 0.00 C ATOM 1191 O ARG A 78 5.416 5.793 -5.177 1.00 0.00 O ATOM 1192 CB ARG A 78 7.570 3.522 -4.031 1.00 0.00 C ATOM 1193 CG ARG A 78 8.539 3.271 -2.887 1.00 0.00 C ATOM 1194 CD ARG A 78 9.703 2.397 -3.325 1.00 0.00 C ATOM 1195 NE ARG A 78 10.820 3.188 -3.834 1.00 0.00 N ATOM 1196 CZ ARG A 78 10.903 3.622 -5.087 1.00 0.00 C ATOM 1197 NH1 ARG A 78 9.938 3.344 -5.953 1.00 0.00 N ATOM 1198 NH2 ARG A 78 11.951 4.337 -5.475 1.00 0.00 N ATOM 0 H ARG A 78 5.996 2.470 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 78 6.508 5.093 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.333 2.572 -4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.059 4.143 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.917 4.223 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.013 2.791 -2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.040 1.794 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.367 1.706 -4.098 1.00 0.00 H new ATOM 0 HE ARG A 78 11.578 3.420 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.130 2.796 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.004 3.678 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.694 4.554 -4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.013 4.670 -6.437 1.00 0.00 H new ATOM 1212 N TYR A 79 4.832 3.640 -5.467 1.00 0.00 N ATOM 1213 CA TYR A 79 4.031 3.904 -6.656 1.00 0.00 C ATOM 1214 C TYR A 79 2.863 4.830 -6.332 1.00 0.00 C ATOM 1215 O TYR A 79 2.615 5.806 -7.039 1.00 0.00 O ATOM 1216 CB TYR A 79 3.508 2.593 -7.245 1.00 0.00 C ATOM 1217 CG TYR A 79 4.518 1.869 -8.107 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.788 1.577 -7.625 1.00 0.00 C ATOM 1219 CD2 TYR A 79 4.203 1.478 -9.402 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.715 0.917 -8.408 1.00 0.00 C ATOM 1221 CE2 TYR A 79 5.123 0.816 -10.192 1.00 0.00 C ATOM 1222 CZ TYR A 79 6.378 0.539 -9.691 1.00 0.00 C ATOM 1223 OH TYR A 79 7.298 -0.120 -10.474 1.00 0.00 O ATOM 0 H TYR A 79 4.860 2.660 -5.186 1.00 0.00 H new ATOM 0 HA TYR A 79 4.669 4.396 -7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.201 1.936 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.619 2.801 -7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.055 1.871 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.222 1.695 -9.798 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.698 0.698 -8.018 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.861 0.517 -11.196 1.00 0.00 H new ATOM 0 HH TYR A 79 6.902 -0.316 -11.349 1.00 0.00 H new ATOM 1233 N GLY A 80 2.149 4.517 -5.255 1.00 0.00 N ATOM 1234 CA GLY A 80 1.016 5.331 -4.854 1.00 0.00 C ATOM 1235 C GLY A 80 -0.310 4.639 -5.099 1.00 0.00 C ATOM 1236 O GLY A 80 -1.264 5.261 -5.565 1.00 0.00 O ATOM 0 H GLY A 80 2.335 3.715 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.105 5.576 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.037 6.273 -5.402 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.370 3.349 -4.785 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.589 2.572 -4.976 1.00 0.00 C ATOM 1242 C GLN A 81 -2.389 2.487 -3.681 1.00 0.00 C ATOM 1243 O GLN A 81 -3.613 2.348 -3.702 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.250 1.166 -5.473 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.577 1.148 -6.836 1.00 0.00 C ATOM 1246 CD GLN A 81 -1.318 1.981 -7.864 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -2.501 1.758 -8.123 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -0.625 2.947 -8.455 1.00 0.00 N ATOM 0 H GLN A 81 0.411 2.820 -4.397 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.198 3.078 -5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.596 0.681 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.165 0.576 -5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.443 1.521 -6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.508 0.119 -7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.354 3.096 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.071 3.540 -9.155 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.691 2.571 -2.553 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.336 2.503 -1.247 1.00 0.00 C ATOM 1259 C LEU A 82 -3.094 3.793 -0.946 1.00 0.00 C ATOM 1260 O LEU A 82 -2.713 4.869 -1.405 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.297 2.243 -0.155 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.695 0.837 -0.124 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.559 0.774 -0.982 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -0.385 0.422 1.307 1.00 0.00 C ATOM 0 H LEU A 82 -0.678 2.686 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.049 1.679 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.486 2.962 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.758 2.441 0.813 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.426 0.140 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.973 -0.234 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.308 1.028 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.296 1.482 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.043 -0.581 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.328 1.122 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.303 0.427 1.894 1.00 0.00 H new ATOM 1276 N SER A 83 -4.167 3.675 -0.171 1.00 0.00 N ATOM 1277 CA SER A 83 -4.979 4.832 0.190 1.00 0.00 C ATOM 1278 C SER A 83 -4.964 5.056 1.699 1.00 0.00 C ATOM 1279 O SER A 83 -4.719 6.166 2.169 1.00 0.00 O ATOM 1280 CB SER A 83 -6.418 4.642 -0.295 1.00 0.00 C ATOM 1281 OG SER A 83 -6.454 4.342 -1.679 1.00 0.00 O ATOM 0 H SER A 83 -4.494 2.791 0.219 1.00 0.00 H new ATOM 0 HA SER A 83 -4.553 5.710 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.891 3.837 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.993 5.547 -0.101 1.00 0.00 H new ATOM 0 HG SER A 83 -7.384 4.224 -1.964 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.228 3.992 2.452 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.246 4.073 3.908 1.00 0.00 C ATOM 1289 C GLU A 84 -4.436 2.937 4.526 1.00 0.00 C ATOM 1290 O GLU A 84 -3.898 2.086 3.817 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.685 4.029 4.426 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.451 5.323 4.208 1.00 0.00 C ATOM 1293 CD GLU A 84 -7.050 6.410 5.186 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -7.164 6.180 6.408 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -6.622 7.490 4.729 1.00 0.00 O ATOM 0 H GLU A 84 -5.432 3.065 2.078 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.792 5.020 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.215 3.215 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.672 3.800 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.281 5.674 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.519 5.129 4.304 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.353 2.931 5.852 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.610 1.901 6.568 1.00 0.00 C ATOM 1304 C LYS A 85 -4.277 0.538 6.407 1.00 0.00 C ATOM 1305 O LYS A 85 -5.470 0.386 6.667 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.505 2.257 8.052 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.649 3.482 8.325 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.556 3.778 9.812 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.967 5.157 10.070 1.00 0.00 C ATOM 1310 NZ LYS A 85 -2.979 6.234 9.890 1.00 0.00 N ATOM 0 H LYS A 85 -4.792 3.629 6.453 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.608 1.849 6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.506 2.428 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.090 1.406 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.649 3.325 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.070 4.344 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.548 3.715 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.939 3.021 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.569 5.198 11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.131 5.327 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.539 7.158 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.341 6.211 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.765 6.086 10.554 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.498 -0.450 5.979 1.00 0.00 N ATOM 1325 CA VAL A 86 -4.012 -1.800 5.786 1.00 0.00 C ATOM 1326 C VAL A 86 -4.283 -2.481 7.123 1.00 0.00 C ATOM 1327 O VAL A 86 -3.417 -2.523 7.997 1.00 0.00 O ATOM 1328 CB VAL A 86 -3.031 -2.664 4.972 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.517 -4.104 4.904 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.846 -2.088 3.576 1.00 0.00 C ATOM 0 H VAL A 86 -2.508 -0.340 5.759 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.946 -1.706 5.233 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.064 -2.656 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.811 -4.699 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.593 -4.510 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.496 -4.135 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.150 -2.711 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.807 -2.064 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.449 -1.076 3.650 1.00 0.00 H new ATOM 1340 N SER A 87 -5.491 -3.014 7.276 1.00 0.00 N ATOM 1341 CA SER A 87 -5.878 -3.690 8.508 1.00 0.00 C ATOM 1342 C SER A 87 -5.760 -5.204 8.357 1.00 0.00 C ATOM 1343 O SER A 87 -5.662 -5.721 7.245 1.00 0.00 O ATOM 1344 CB SER A 87 -7.311 -3.315 8.892 1.00 0.00 C ATOM 1345 OG SER A 87 -8.239 -3.803 7.940 1.00 0.00 O ATOM 0 H SER A 87 -6.219 -2.991 6.562 1.00 0.00 H new ATOM 0 HA SER A 87 -5.201 -3.367 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.546 -3.723 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.399 -2.231 8.967 1.00 0.00 H new ATOM 0 HG SER A 87 -9.147 -3.551 8.210 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.770 -5.907 9.485 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.663 -7.362 9.478 1.00 0.00 C ATOM 1353 C GLU A 88 -6.367 -7.953 8.261 1.00 0.00 C ATOM 1354 O GLU A 88 -5.741 -8.605 7.425 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.261 -7.945 10.760 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.714 -9.317 11.117 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.677 -10.127 11.963 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.899 -10.037 11.722 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.208 -10.852 12.866 1.00 0.00 O ATOM 0 H GLU A 88 -5.851 -5.494 10.414 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.606 -7.623 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.068 -7.260 11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.343 -8.012 10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.492 -9.865 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.773 -9.200 11.655 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.673 -7.722 8.169 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.463 -8.233 7.055 1.00 0.00 C ATOM 1368 C GLN A 89 -7.781 -7.936 5.723 1.00 0.00 C ATOM 1369 O GLN A 89 -7.606 -8.826 4.892 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.864 -7.621 7.073 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.663 -7.966 8.319 1.00 0.00 C ATOM 1372 CD GLN A 89 -12.134 -7.625 8.182 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.497 -6.471 7.954 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.991 -8.630 8.321 1.00 0.00 N ATOM 0 H GLN A 89 -8.206 -7.184 8.852 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.546 -9.314 7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.779 -6.537 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.412 -7.962 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.559 -9.030 8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.248 -7.430 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.647 -9.571 8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.993 -8.460 8.239 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.400 -6.677 5.527 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.743 -6.285 4.294 1.00 0.00 C ATOM 1385 C GLY A 90 -5.472 -7.071 4.039 1.00 0.00 C ATOM 1386 O GLY A 90 -5.289 -7.637 2.960 1.00 0.00 O ATOM 0 H GLY A 90 -7.535 -5.922 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.429 -6.428 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.507 -5.222 4.334 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.590 -7.105 5.032 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.328 -7.827 4.910 1.00 0.00 C ATOM 1392 C LEU A 91 -3.550 -9.217 4.323 1.00 0.00 C ATOM 1393 O LEU A 91 -3.090 -9.517 3.221 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.648 -7.939 6.275 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.268 -8.598 6.285 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.177 -7.554 6.102 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -1.056 -9.372 7.578 1.00 0.00 C ATOM 0 H LEU A 91 -4.725 -6.641 5.930 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.681 -7.267 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.553 -6.938 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.303 -8.503 6.940 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.215 -9.299 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.798 -8.041 6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.318 -7.043 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.228 -6.828 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.069 -9.834 7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.129 -8.691 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.818 -10.146 7.668 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.260 -10.060 5.065 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.546 -11.417 4.617 1.00 0.00 C ATOM 1411 C ILE A 92 -4.831 -11.453 3.119 1.00 0.00 C ATOM 1412 O ILE A 92 -4.322 -12.314 2.402 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.747 -12.018 5.371 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.378 -12.286 6.832 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.212 -13.298 4.693 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.573 -12.571 7.714 1.00 0.00 C ATOM 0 H ILE A 92 -4.648 -9.827 5.979 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.659 -12.013 4.830 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.567 -11.300 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.694 -13.133 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.842 -11.423 7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.061 -13.710 5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.510 -13.079 3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.398 -14.023 4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.237 -12.752 8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.248 -11.715 7.700 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.097 -13.452 7.343 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.645 -10.511 2.655 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.996 -10.435 1.241 1.00 0.00 C ATOM 1430 C GLU A 93 -4.761 -10.159 0.388 1.00 0.00 C ATOM 1431 O GLU A 93 -4.625 -10.690 -0.714 1.00 0.00 O ATOM 1432 CB GLU A 93 -7.043 -9.342 1.011 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.344 -9.580 1.758 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.504 -8.797 1.173 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.287 -7.645 0.745 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.629 -9.339 1.143 1.00 0.00 O ATOM 0 H GLU A 93 -6.074 -9.790 3.236 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.414 -11.397 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.628 -8.382 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.254 -9.271 -0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.581 -10.644 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.214 -9.303 2.804 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.866 -9.325 0.906 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.643 -8.979 0.193 1.00 0.00 C ATOM 1445 C ILE A 94 -1.738 -10.196 0.031 1.00 0.00 C ATOM 1446 O ILE A 94 -1.093 -10.370 -1.004 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.863 -7.867 0.919 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.692 -6.581 0.967 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.530 -7.618 0.230 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.992 -5.438 1.668 1.00 0.00 C ATOM 0 H ILE A 94 -3.965 -8.876 1.817 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.943 -8.618 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.666 -8.190 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.936 -6.277 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.635 -6.785 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.009 -6.829 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.062 -8.533 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.705 -7.313 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.637 -4.559 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.772 -5.722 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.062 -5.207 1.148 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.696 -11.036 1.059 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.872 -12.239 1.030 1.00 0.00 C ATOM 1464 C LEU A 95 -1.231 -13.117 -0.164 1.00 0.00 C ATOM 1465 O LEU A 95 -0.433 -13.947 -0.601 1.00 0.00 O ATOM 1466 CB LEU A 95 -1.043 -13.029 2.329 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.676 -12.291 3.617 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -1.169 -13.061 4.832 1.00 0.00 C ATOM 1469 CD2 LEU A 95 0.827 -12.071 3.696 1.00 0.00 C ATOM 0 H LEU A 95 -2.223 -10.906 1.923 1.00 0.00 H new ATOM 0 HA LEU A 95 0.170 -11.934 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.082 -13.350 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.435 -13.931 2.265 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.165 -11.317 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.899 -12.521 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.253 -13.166 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.709 -14.049 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.070 -11.544 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.337 -13.034 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.153 -11.476 2.843 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.436 -12.928 -0.689 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.902 -13.700 -1.835 1.00 0.00 C ATOM 1483 C LYS A 96 -2.662 -12.941 -3.136 1.00 0.00 C ATOM 1484 O LYS A 96 -2.792 -13.499 -4.226 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.390 -14.023 -1.688 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.758 -14.589 -0.328 1.00 0.00 C ATOM 1487 CD LYS A 96 -6.243 -14.435 -0.043 1.00 0.00 C ATOM 1488 CE LYS A 96 -6.552 -14.644 1.432 1.00 0.00 C ATOM 1489 NZ LYS A 96 -7.908 -14.143 1.791 1.00 0.00 N ATOM 0 H LYS A 96 -3.109 -12.246 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.336 -14.631 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.969 -13.116 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.676 -14.738 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.486 -15.644 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.183 -14.081 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.572 -13.441 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.805 -15.154 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.482 -15.705 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.804 -14.131 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.074 -14.288 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.973 -13.129 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.625 -14.662 1.246 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.309 -11.665 -3.015 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.048 -10.829 -4.180 1.00 0.00 C ATOM 1505 C LYS A 97 -0.561 -10.821 -4.522 1.00 0.00 C ATOM 1506 O LYS A 97 -0.183 -10.769 -5.692 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.531 -9.399 -3.927 1.00 0.00 C ATOM 1508 CG LYS A 97 -4.014 -9.306 -3.612 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.524 -7.881 -3.746 1.00 0.00 C ATOM 1510 CE LYS A 97 -6.029 -7.845 -3.958 1.00 0.00 C ATOM 1511 NZ LYS A 97 -6.393 -8.054 -5.387 1.00 0.00 N ATOM 0 H LYS A 97 -2.197 -11.188 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.596 -11.247 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.965 -8.974 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.316 -8.791 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.571 -9.958 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.195 -9.664 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.268 -7.316 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.026 -7.392 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.500 -8.615 -3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.421 -6.886 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.427 -8.022 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.964 -7.305 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.042 -8.981 -5.703 1.00 0.00 H new ATOM 1525 N VAL A 98 0.278 -10.876 -3.493 1.00 0.00 N ATOM 1526 CA VAL A 98 1.724 -10.877 -3.684 1.00 0.00 C ATOM 1527 C VAL A 98 2.173 -12.109 -4.463 1.00 0.00 C ATOM 1528 O VAL A 98 3.266 -12.132 -5.030 1.00 0.00 O ATOM 1529 CB VAL A 98 2.468 -10.835 -2.337 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.865 -11.834 -1.361 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.952 -11.105 -2.540 1.00 0.00 C ATOM 0 H VAL A 98 -0.018 -10.920 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 98 1.970 -9.981 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 98 2.358 -9.837 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.404 -11.789 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.816 -11.590 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.942 -12.839 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.463 -11.072 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.085 -12.090 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.373 -10.347 -3.201 1.00 0.00 H new