USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 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 -167:sc= 0 (180deg=-0.178) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.13! C(o=-2.1!,f=-1.7!) 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 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -8.93! C(o=-8.9!,f=-16!) USER MOD Single : A 62 LYS NZ :NH3+ 143:sc= -4.64! (180deg=-6.16!) USER MOD Single : A 65 LYS NZ :NH3+ -116:sc= 0.877 (180deg=-0.0198) USER MOD Single : A 66 THR OG1 : rot -171:sc= -0.118 USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0363) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 76 MET CE :methyl -172:sc= -0.314 (180deg=-0.375) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.157 K(o=-0.16,f=-2!) 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=-0.00749 K(o=-0.0075,f=-1.3) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0125) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.203 2.075 6.507 1.00 0.00 N ATOM 525 CA GLU A 37 15.414 2.948 7.368 1.00 0.00 C ATOM 526 C GLU A 37 14.084 3.304 6.710 1.00 0.00 C ATOM 527 O GLU A 37 13.048 3.360 7.371 1.00 0.00 O ATOM 528 CB GLU A 37 16.194 4.225 7.690 1.00 0.00 C ATOM 529 CG GLU A 37 17.261 4.033 8.755 1.00 0.00 C ATOM 530 CD GLU A 37 16.681 3.951 10.154 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.064 2.916 10.481 1.00 0.00 O ATOM 532 OE2 GLU A 37 16.844 4.923 10.921 1.00 0.00 O ATOM 0 HA GLU A 37 15.209 2.412 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.664 4.593 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.496 4.994 8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.820 3.122 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.970 4.860 8.707 1.00 0.00 H new ATOM 539 N MET A 38 14.123 3.545 5.403 1.00 0.00 N ATOM 540 CA MET A 38 12.921 3.895 4.655 1.00 0.00 C ATOM 541 C MET A 38 11.968 2.708 4.571 1.00 0.00 C ATOM 542 O MET A 38 10.784 2.826 4.889 1.00 0.00 O ATOM 543 CB MET A 38 13.291 4.369 3.248 1.00 0.00 C ATOM 544 CG MET A 38 14.661 5.021 3.166 1.00 0.00 C ATOM 545 SD MET A 38 14.767 6.254 1.855 1.00 0.00 S ATOM 546 CE MET A 38 14.248 5.288 0.439 1.00 0.00 C ATOM 0 H MET A 38 14.973 3.504 4.841 1.00 0.00 H new ATOM 0 HA MET A 38 12.417 4.705 5.183 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.262 3.518 2.568 1.00 0.00 H new ATOM 0 HB3 MET A 38 12.539 5.079 2.903 1.00 0.00 H new ATOM 0 HG2 MET A 38 14.893 5.492 4.121 1.00 0.00 H new ATOM 0 HG3 MET A 38 15.415 4.252 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.478 5.832 -0.477 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.775 4.334 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.174 5.109 0.495 1.00 0.00 H new ATOM 556 N ARG A 39 12.491 1.564 4.140 1.00 0.00 N ATOM 557 CA ARG A 39 11.685 0.356 4.013 1.00 0.00 C ATOM 558 C ARG A 39 10.995 0.021 5.331 1.00 0.00 C ATOM 559 O ARG A 39 9.840 -0.403 5.349 1.00 0.00 O ATOM 560 CB ARG A 39 12.558 -0.820 3.569 1.00 0.00 C ATOM 561 CG ARG A 39 13.563 -1.263 4.620 1.00 0.00 C ATOM 562 CD ARG A 39 14.397 -2.438 4.132 1.00 0.00 C ATOM 563 NE ARG A 39 15.088 -3.110 5.229 1.00 0.00 N ATOM 564 CZ ARG A 39 15.946 -4.109 5.054 1.00 0.00 C ATOM 565 NH1 ARG A 39 16.216 -4.549 3.833 1.00 0.00 N ATOM 566 NH2 ARG A 39 16.536 -4.670 6.102 1.00 0.00 N ATOM 0 H ARG A 39 13.469 1.449 3.873 1.00 0.00 H new ATOM 0 HA ARG A 39 10.920 0.538 3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.915 -1.663 3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.093 -0.542 2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.219 -0.430 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.037 -1.543 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.753 -3.151 3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.128 -2.086 3.404 1.00 0.00 H new ATOM 0 HE ARG A 39 14.902 -2.795 6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.765 -4.120 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.875 -5.316 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.331 -4.334 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.195 -5.437 5.966 1.00 0.00 H new ATOM 580 N ASN A 40 11.711 0.214 6.434 1.00 0.00 N ATOM 581 CA ASN A 40 11.167 -0.068 7.758 1.00 0.00 C ATOM 582 C ASN A 40 9.916 0.765 8.021 1.00 0.00 C ATOM 583 O ASN A 40 8.851 0.225 8.320 1.00 0.00 O ATOM 584 CB ASN A 40 12.218 0.215 8.834 1.00 0.00 C ATOM 585 CG ASN A 40 13.338 -0.807 8.831 1.00 0.00 C ATOM 586 OD1 ASN A 40 13.293 -1.792 8.093 1.00 0.00 O ATOM 587 ND2 ASN A 40 14.350 -0.578 9.660 1.00 0.00 N ATOM 0 H ASN A 40 12.669 0.564 6.437 1.00 0.00 H new ATOM 0 HA ASN A 40 10.894 -1.122 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.637 1.209 8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.739 0.222 9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.132 -1.232 9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.345 0.252 10.254 1.00 0.00 H new ATOM 594 N SER A 41 10.054 2.082 7.907 1.00 0.00 N ATOM 595 CA SER A 41 8.936 2.990 8.136 1.00 0.00 C ATOM 596 C SER A 41 7.848 2.788 7.085 1.00 0.00 C ATOM 597 O SER A 41 6.691 2.527 7.417 1.00 0.00 O ATOM 598 CB SER A 41 9.418 4.442 8.114 1.00 0.00 C ATOM 599 OG SER A 41 8.545 5.280 8.851 1.00 0.00 O ATOM 0 H SER A 41 10.928 2.544 7.658 1.00 0.00 H new ATOM 0 HA SER A 41 8.515 2.769 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.423 4.501 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.480 4.792 7.084 1.00 0.00 H new ATOM 0 HG SER A 41 8.876 6.202 8.823 1.00 0.00 H new ATOM 605 N ILE A 42 8.229 2.910 5.818 1.00 0.00 N ATOM 606 CA ILE A 42 7.287 2.740 4.719 1.00 0.00 C ATOM 607 C ILE A 42 6.395 1.523 4.942 1.00 0.00 C ATOM 608 O ILE A 42 5.257 1.480 4.474 1.00 0.00 O ATOM 609 CB ILE A 42 8.016 2.587 3.371 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.908 3.803 3.108 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.012 2.406 2.243 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.115 3.492 2.252 1.00 0.00 C ATOM 0 H ILE A 42 9.183 3.126 5.527 1.00 0.00 H new ATOM 0 HA ILE A 42 6.671 3.639 4.690 1.00 0.00 H new ATOM 0 HB ILE A 42 8.647 1.699 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.317 4.579 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.244 4.210 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.543 2.299 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.415 1.513 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.357 3.276 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.701 4.399 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.728 2.739 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.787 3.113 1.284 1.00 0.00 H new ATOM 624 N LEU A 43 6.919 0.537 5.662 1.00 0.00 N ATOM 625 CA LEU A 43 6.170 -0.681 5.950 1.00 0.00 C ATOM 626 C LEU A 43 5.250 -0.484 7.150 1.00 0.00 C ATOM 627 O LEU A 43 4.141 -1.016 7.189 1.00 0.00 O ATOM 628 CB LEU A 43 7.129 -1.843 6.214 1.00 0.00 C ATOM 629 CG LEU A 43 7.744 -2.500 4.977 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.710 -3.602 5.383 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.655 -3.050 4.068 1.00 0.00 C ATOM 0 H LEU A 43 7.859 0.557 6.057 1.00 0.00 H new ATOM 0 HA LEU A 43 5.557 -0.915 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.938 -1.483 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.595 -2.607 6.779 1.00 0.00 H new ATOM 0 HG LEU A 43 8.301 -1.742 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.138 -4.058 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.509 -3.179 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.177 -4.360 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.111 -3.514 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.070 -3.794 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.002 -2.237 3.749 1.00 0.00 H new ATOM 643 N ALA A 44 5.718 0.286 8.127 1.00 0.00 N ATOM 644 CA ALA A 44 4.936 0.558 9.327 1.00 0.00 C ATOM 645 C ALA A 44 3.803 1.537 9.035 1.00 0.00 C ATOM 646 O ALA A 44 2.748 1.485 9.666 1.00 0.00 O ATOM 647 CB ALA A 44 5.832 1.100 10.430 1.00 0.00 C ATOM 0 H ALA A 44 6.635 0.733 8.111 1.00 0.00 H new ATOM 0 HA ALA A 44 4.493 -0.380 9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.234 1.298 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.602 0.366 10.667 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.302 2.025 10.095 1.00 0.00 H new ATOM 653 N GLN A 45 4.030 2.427 8.074 1.00 0.00 N ATOM 654 CA GLN A 45 3.029 3.418 7.700 1.00 0.00 C ATOM 655 C GLN A 45 1.927 2.787 6.855 1.00 0.00 C ATOM 656 O GLN A 45 0.756 3.147 6.974 1.00 0.00 O ATOM 657 CB GLN A 45 3.681 4.569 6.932 1.00 0.00 C ATOM 658 CG GLN A 45 4.140 4.184 5.534 1.00 0.00 C ATOM 659 CD GLN A 45 4.879 5.307 4.833 1.00 0.00 C ATOM 660 OE1 GLN A 45 4.488 5.742 3.750 1.00 0.00 O ATOM 661 NE2 GLN A 45 5.955 5.783 5.449 1.00 0.00 N ATOM 0 H GLN A 45 4.898 2.482 7.541 1.00 0.00 H new ATOM 0 HA GLN A 45 2.582 3.808 8.614 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.972 5.394 6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.537 4.934 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.789 3.310 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.274 3.896 4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.244 5.393 6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.493 6.539 5.025 1.00 0.00 H new ATOM 670 N VAL A 46 2.311 1.843 6.001 1.00 0.00 N ATOM 671 CA VAL A 46 1.356 1.161 5.136 1.00 0.00 C ATOM 672 C VAL A 46 0.673 0.012 5.870 1.00 0.00 C ATOM 673 O VAL A 46 -0.356 -0.499 5.425 1.00 0.00 O ATOM 674 CB VAL A 46 2.038 0.613 3.869 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.579 1.752 3.018 1.00 0.00 C ATOM 676 CG2 VAL A 46 3.147 -0.360 4.240 1.00 0.00 C ATOM 0 H VAL A 46 3.277 1.533 5.890 1.00 0.00 H new ATOM 0 HA VAL A 46 0.608 1.899 4.846 1.00 0.00 H new ATOM 0 HB VAL A 46 1.295 0.074 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.057 1.345 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.759 2.407 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.309 2.321 3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.618 -0.738 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.892 0.152 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.727 -1.193 4.804 1.00 0.00 H new ATOM 686 N LEU A 47 1.251 -0.390 6.996 1.00 0.00 N ATOM 687 CA LEU A 47 0.698 -1.479 7.794 1.00 0.00 C ATOM 688 C LEU A 47 0.196 -0.967 9.140 1.00 0.00 C ATOM 689 O LEU A 47 0.981 -0.534 9.983 1.00 0.00 O ATOM 690 CB LEU A 47 1.753 -2.565 8.010 1.00 0.00 C ATOM 691 CG LEU A 47 2.154 -3.367 6.771 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.540 -3.968 6.950 1.00 0.00 C ATOM 693 CD2 LEU A 47 1.131 -4.458 6.488 1.00 0.00 C ATOM 0 H LEU A 47 2.103 0.022 7.377 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.146 -1.903 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.648 -2.098 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.382 -3.260 8.763 1.00 0.00 H new ATOM 0 HG LEU A 47 2.181 -2.691 5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.809 -4.535 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.266 -3.169 7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.540 -4.631 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.432 -5.019 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.073 -5.132 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.155 -4.005 6.316 1.00 0.00 H new ATOM 705 N ASP A 48 -1.117 -1.022 9.335 1.00 0.00 N ATOM 706 CA ASP A 48 -1.725 -0.568 10.581 1.00 0.00 C ATOM 707 C ASP A 48 -1.338 -1.482 11.739 1.00 0.00 C ATOM 708 O ASP A 48 -1.089 -2.671 11.546 1.00 0.00 O ATOM 709 CB ASP A 48 -3.247 -0.516 10.441 1.00 0.00 C ATOM 710 CG ASP A 48 -3.895 0.364 11.492 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.374 1.471 11.742 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.924 -0.054 12.063 1.00 0.00 O ATOM 0 H ASP A 48 -1.781 -1.376 8.646 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.354 0.434 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.505 -0.143 9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.651 -1.526 10.517 1.00 0.00 H new ATOM 717 N GLN A 49 -1.290 -0.917 12.941 1.00 0.00 N ATOM 718 CA GLN A 49 -0.932 -1.681 14.130 1.00 0.00 C ATOM 719 C GLN A 49 -1.501 -3.094 14.060 1.00 0.00 C ATOM 720 O GLN A 49 -0.862 -4.053 14.494 1.00 0.00 O ATOM 721 CB GLN A 49 -1.441 -0.975 15.388 1.00 0.00 C ATOM 722 CG GLN A 49 -0.821 -1.501 16.673 1.00 0.00 C ATOM 723 CD GLN A 49 -1.212 -0.681 17.887 1.00 0.00 C ATOM 724 OE1 GLN A 49 -0.538 0.286 18.241 1.00 0.00 O ATOM 725 NE2 GLN A 49 -2.308 -1.065 18.533 1.00 0.00 N ATOM 0 H GLN A 49 -1.494 0.067 13.117 1.00 0.00 H new ATOM 0 HA GLN A 49 0.155 -1.748 14.175 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.234 0.092 15.305 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.524 -1.087 15.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.129 -2.536 16.824 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.265 -1.502 16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.837 -1.873 18.205 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.620 -0.552 19.357 1.00 0.00 H new ATOM 734 N SER A 50 -2.706 -3.216 13.512 1.00 0.00 N ATOM 735 CA SER A 50 -3.363 -4.512 13.390 1.00 0.00 C ATOM 736 C SER A 50 -2.575 -5.435 12.465 1.00 0.00 C ATOM 737 O SER A 50 -2.002 -6.431 12.906 1.00 0.00 O ATOM 738 CB SER A 50 -4.788 -4.337 12.861 1.00 0.00 C ATOM 739 OG SER A 50 -5.616 -3.711 13.825 1.00 0.00 O ATOM 0 H SER A 50 -3.247 -2.433 13.145 1.00 0.00 H new ATOM 0 HA SER A 50 -3.404 -4.966 14.380 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.770 -3.740 11.949 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.203 -5.310 12.597 1.00 0.00 H new ATOM 0 HG SER A 50 -6.521 -3.609 13.462 1.00 0.00 H new ATOM 745 N ALA A 51 -2.551 -5.095 11.180 1.00 0.00 N ATOM 746 CA ALA A 51 -1.832 -5.891 10.193 1.00 0.00 C ATOM 747 C ALA A 51 -0.390 -6.131 10.626 1.00 0.00 C ATOM 748 O ALA A 51 0.128 -7.242 10.506 1.00 0.00 O ATOM 749 CB ALA A 51 -1.871 -5.208 8.835 1.00 0.00 C ATOM 0 H ALA A 51 -3.021 -4.274 10.799 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.326 -6.860 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.330 -5.813 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.907 -5.095 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.404 -4.226 8.908 1.00 0.00 H new ATOM 755 N ARG A 52 0.254 -5.083 11.129 1.00 0.00 N ATOM 756 CA ARG A 52 1.638 -5.180 11.578 1.00 0.00 C ATOM 757 C ARG A 52 1.874 -6.483 12.336 1.00 0.00 C ATOM 758 O ARG A 52 2.732 -7.283 11.963 1.00 0.00 O ATOM 759 CB ARG A 52 1.992 -3.988 12.469 1.00 0.00 C ATOM 760 CG ARG A 52 3.442 -3.549 12.351 1.00 0.00 C ATOM 761 CD ARG A 52 3.615 -2.474 11.289 1.00 0.00 C ATOM 762 NE ARG A 52 3.026 -1.201 11.698 1.00 0.00 N ATOM 763 CZ ARG A 52 3.549 -0.416 12.633 1.00 0.00 C ATOM 764 NH1 ARG A 52 4.666 -0.772 13.253 1.00 0.00 N ATOM 765 NH2 ARG A 52 2.955 0.727 12.950 1.00 0.00 N ATOM 0 H ARG A 52 -0.160 -4.157 11.236 1.00 0.00 H new ATOM 0 HA ARG A 52 2.281 -5.171 10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.345 -3.149 12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.783 -4.246 13.507 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.788 -3.171 13.313 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.065 -4.409 12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.676 -2.333 11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.153 -2.805 10.359 1.00 0.00 H new ATOM 0 HE ARG A 52 2.166 -0.899 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.125 -1.650 13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.066 -0.167 13.971 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.096 1.004 12.476 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.358 1.329 13.668 1.00 0.00 H new ATOM 779 N ALA A 53 1.107 -6.688 13.402 1.00 0.00 N ATOM 780 CA ALA A 53 1.232 -7.894 14.211 1.00 0.00 C ATOM 781 C ALA A 53 1.293 -9.140 13.334 1.00 0.00 C ATOM 782 O ALA A 53 2.332 -9.793 13.239 1.00 0.00 O ATOM 783 CB ALA A 53 0.073 -7.993 15.192 1.00 0.00 C ATOM 0 H ALA A 53 0.393 -6.035 13.725 1.00 0.00 H new ATOM 0 HA ALA A 53 2.165 -7.831 14.772 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.179 -8.898 15.790 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.076 -7.122 15.848 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.867 -8.029 14.642 1.00 0.00 H new ATOM 789 N ARG A 54 0.173 -9.464 12.695 1.00 0.00 N ATOM 790 CA ARG A 54 0.100 -10.634 11.827 1.00 0.00 C ATOM 791 C ARG A 54 1.409 -10.830 11.069 1.00 0.00 C ATOM 792 O ARG A 54 2.106 -11.828 11.259 1.00 0.00 O ATOM 793 CB ARG A 54 -1.058 -10.489 10.839 1.00 0.00 C ATOM 794 CG ARG A 54 -1.441 -11.792 10.154 1.00 0.00 C ATOM 795 CD ARG A 54 -2.388 -12.615 11.014 1.00 0.00 C ATOM 796 NE ARG A 54 -3.159 -13.567 10.220 1.00 0.00 N ATOM 797 CZ ARG A 54 -4.185 -14.262 10.698 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.562 -14.110 11.960 1.00 0.00 N ATOM 799 NH2 ARG A 54 -4.838 -15.110 9.913 1.00 0.00 N ATOM 0 H ARG A 54 -0.695 -8.933 12.762 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.072 -11.510 12.452 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.927 -10.096 11.366 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.787 -9.755 10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.913 -11.576 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.542 -12.372 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.816 -13.153 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.069 -11.949 11.543 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.895 -13.706 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.064 -13.458 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.350 -14.645 12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.552 -15.229 8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.626 -15.643 10.282 1.00 0.00 H new ATOM 813 N LEU A 55 1.737 -9.873 10.208 1.00 0.00 N ATOM 814 CA LEU A 55 2.963 -9.941 9.419 1.00 0.00 C ATOM 815 C LEU A 55 4.105 -10.534 10.238 1.00 0.00 C ATOM 816 O LEU A 55 4.896 -11.330 9.732 1.00 0.00 O ATOM 817 CB LEU A 55 3.348 -8.548 8.918 1.00 0.00 C ATOM 818 CG LEU A 55 4.435 -8.498 7.844 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.878 -8.937 6.500 1.00 0.00 C ATOM 820 CD2 LEU A 55 5.025 -7.098 7.748 1.00 0.00 C ATOM 0 H LEU A 55 1.172 -9.041 10.038 1.00 0.00 H new ATOM 0 HA LEU A 55 2.780 -10.590 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.454 -8.065 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.680 -7.956 9.771 1.00 0.00 H new ATOM 0 HG LEU A 55 5.230 -9.188 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.666 -8.895 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.504 -9.958 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.064 -8.273 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.797 -7.081 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.239 -6.389 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.462 -6.821 8.707 1.00 0.00 H new ATOM 832 N SER A 56 4.184 -10.141 11.505 1.00 0.00 N ATOM 833 CA SER A 56 5.230 -10.632 12.394 1.00 0.00 C ATOM 834 C SER A 56 5.025 -12.111 12.709 1.00 0.00 C ATOM 835 O SER A 56 5.973 -12.895 12.701 1.00 0.00 O ATOM 836 CB SER A 56 5.250 -9.821 13.691 1.00 0.00 C ATOM 837 OG SER A 56 6.354 -10.182 14.502 1.00 0.00 O ATOM 0 H SER A 56 3.536 -9.484 11.939 1.00 0.00 H new ATOM 0 HA SER A 56 6.188 -10.515 11.887 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.299 -8.757 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.323 -9.985 14.240 1.00 0.00 H new ATOM 0 HG SER A 56 6.345 -9.648 15.324 1.00 0.00 H new ATOM 843 N ASN A 57 3.780 -12.483 12.987 1.00 0.00 N ATOM 844 CA ASN A 57 3.449 -13.867 13.306 1.00 0.00 C ATOM 845 C ASN A 57 3.900 -14.805 12.190 1.00 0.00 C ATOM 846 O ASN A 57 4.441 -15.881 12.449 1.00 0.00 O ATOM 847 CB ASN A 57 1.944 -14.014 13.534 1.00 0.00 C ATOM 848 CG ASN A 57 1.195 -14.343 12.257 1.00 0.00 C ATOM 849 OD1 ASN A 57 0.413 -13.534 11.758 1.00 0.00 O ATOM 850 ND2 ASN A 57 1.431 -15.535 11.723 1.00 0.00 N ATOM 0 H ASN A 57 2.984 -11.846 12.998 1.00 0.00 H new ATOM 0 HA ASN A 57 3.976 -14.139 14.221 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.766 -14.799 14.269 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.551 -13.088 13.954 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.956 -15.812 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.088 -16.174 12.171 1.00 0.00 H new ATOM 857 N LEU A 58 3.673 -14.390 10.949 1.00 0.00 N ATOM 858 CA LEU A 58 4.056 -15.193 9.792 1.00 0.00 C ATOM 859 C LEU A 58 5.568 -15.389 9.742 1.00 0.00 C ATOM 860 O LEU A 58 6.056 -16.397 9.232 1.00 0.00 O ATOM 861 CB LEU A 58 3.573 -14.527 8.503 1.00 0.00 C ATOM 862 CG LEU A 58 3.458 -15.437 7.280 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.268 -16.373 7.421 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.340 -14.610 6.008 1.00 0.00 C ATOM 0 H LEU A 58 3.226 -13.503 10.717 1.00 0.00 H new ATOM 0 HA LEU A 58 3.585 -16.171 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.597 -14.081 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.255 -13.712 8.261 1.00 0.00 H new ATOM 0 HG LEU A 58 4.363 -16.040 7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.202 -17.013 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.394 -16.991 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.353 -15.787 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.259 -15.275 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.452 -13.980 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.224 -13.982 5.899 1.00 0.00 H new ATOM 876 N ALA A 59 6.303 -14.419 10.276 1.00 0.00 N ATOM 877 CA ALA A 59 7.759 -14.486 10.295 1.00 0.00 C ATOM 878 C ALA A 59 8.242 -15.699 11.084 1.00 0.00 C ATOM 879 O ALA A 59 9.422 -16.050 11.043 1.00 0.00 O ATOM 880 CB ALA A 59 8.339 -13.208 10.882 1.00 0.00 C ATOM 0 H ALA A 59 5.914 -13.577 10.701 1.00 0.00 H new ATOM 0 HA ALA A 59 8.107 -14.591 9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.427 -13.272 10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.030 -12.356 10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.976 -13.078 11.902 1.00 0.00 H new ATOM 886 N LEU A 60 7.323 -16.335 11.804 1.00 0.00 N ATOM 887 CA LEU A 60 7.655 -17.508 12.604 1.00 0.00 C ATOM 888 C LEU A 60 7.389 -18.792 11.824 1.00 0.00 C ATOM 889 O LEU A 60 8.302 -19.579 11.572 1.00 0.00 O ATOM 890 CB LEU A 60 6.847 -17.510 13.902 1.00 0.00 C ATOM 891 CG LEU A 60 6.971 -16.258 14.771 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.874 -16.229 15.825 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.343 -16.196 15.426 1.00 0.00 C ATOM 0 H LEU A 60 6.343 -16.057 11.850 1.00 0.00 H new ATOM 0 HA LEU A 60 8.717 -17.464 12.845 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.796 -17.652 13.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.152 -18.372 14.495 1.00 0.00 H new ATOM 0 HG LEU A 60 6.856 -15.383 14.131 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.978 -15.331 16.434 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.900 -16.225 15.336 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.957 -17.110 16.461 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.413 -15.298 16.040 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.487 -17.076 16.052 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.113 -16.169 14.655 1.00 0.00 H new ATOM 905 N VAL A 61 6.132 -18.996 11.441 1.00 0.00 N ATOM 906 CA VAL A 61 5.746 -20.182 10.687 1.00 0.00 C ATOM 907 C VAL A 61 6.466 -20.238 9.344 1.00 0.00 C ATOM 908 O VAL A 61 6.900 -21.303 8.903 1.00 0.00 O ATOM 909 CB VAL A 61 4.225 -20.222 10.444 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.755 -18.932 9.789 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.854 -21.428 9.593 1.00 0.00 C ATOM 0 H VAL A 61 5.364 -18.355 11.641 1.00 0.00 H new ATOM 0 HA VAL A 61 6.034 -21.046 11.286 1.00 0.00 H new ATOM 0 HB VAL A 61 3.722 -20.316 11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.678 -18.978 9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.987 -18.088 10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.262 -18.804 8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.776 -21.441 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.365 -21.366 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.155 -22.342 10.106 1.00 0.00 H new ATOM 921 N LYS A 62 6.589 -19.084 8.697 1.00 0.00 N ATOM 922 CA LYS A 62 7.258 -19.000 7.404 1.00 0.00 C ATOM 923 C LYS A 62 7.565 -17.549 7.044 1.00 0.00 C ATOM 924 O LYS A 62 6.683 -16.779 6.663 1.00 0.00 O ATOM 925 CB LYS A 62 6.390 -19.634 6.315 1.00 0.00 C ATOM 926 CG LYS A 62 4.900 -19.437 6.533 1.00 0.00 C ATOM 927 CD LYS A 62 4.123 -19.583 5.236 1.00 0.00 C ATOM 928 CE LYS A 62 2.685 -20.008 5.493 1.00 0.00 C ATOM 929 NZ LYS A 62 1.808 -18.843 5.795 1.00 0.00 N ATOM 0 H LYS A 62 6.234 -18.194 9.047 1.00 0.00 H new ATOM 0 HA LYS A 62 8.199 -19.546 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.666 -19.210 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.604 -20.702 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.538 -20.165 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.721 -18.449 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.133 -18.636 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.613 -20.319 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.301 -20.535 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.657 -20.709 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.871 -18.994 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.708 -18.741 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.231 -17.978 5.401 1.00 0.00 H new ATOM 943 N PRO A 63 8.845 -17.167 7.165 1.00 0.00 N ATOM 944 CA PRO A 63 9.297 -15.807 6.855 1.00 0.00 C ATOM 945 C PRO A 63 9.246 -15.505 5.361 1.00 0.00 C ATOM 946 O PRO A 63 8.914 -14.392 4.955 1.00 0.00 O ATOM 947 CB PRO A 63 10.744 -15.792 7.354 1.00 0.00 C ATOM 948 CG PRO A 63 11.176 -17.217 7.307 1.00 0.00 C ATOM 949 CD PRO A 63 9.949 -18.032 7.613 1.00 0.00 C ATOM 0 HA PRO A 63 8.663 -15.051 7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.374 -15.166 6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.810 -15.392 8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.578 -17.471 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.964 -17.410 8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.955 -18.983 7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.874 -18.262 8.676 1.00 0.00 H new ATOM 957 N GLU A 64 9.576 -16.504 4.549 1.00 0.00 N ATOM 958 CA GLU A 64 9.567 -16.344 3.099 1.00 0.00 C ATOM 959 C GLU A 64 8.399 -15.468 2.656 1.00 0.00 C ATOM 960 O GLU A 64 8.594 -14.367 2.142 1.00 0.00 O ATOM 961 CB GLU A 64 9.485 -17.709 2.413 1.00 0.00 C ATOM 962 CG GLU A 64 9.763 -17.658 0.920 1.00 0.00 C ATOM 963 CD GLU A 64 9.891 -19.037 0.303 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.871 -19.742 0.625 1.00 0.00 O ATOM 965 OE2 GLU A 64 9.013 -19.412 -0.501 1.00 0.00 O ATOM 0 H GLU A 64 9.853 -17.432 4.870 1.00 0.00 H new ATOM 0 HA GLU A 64 10.496 -15.855 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.198 -18.386 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.492 -18.128 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.959 -17.115 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.682 -17.099 0.744 1.00 0.00 H new ATOM 972 N LYS A 65 7.184 -15.966 2.858 1.00 0.00 N ATOM 973 CA LYS A 65 5.983 -15.231 2.481 1.00 0.00 C ATOM 974 C LYS A 65 6.027 -13.804 3.018 1.00 0.00 C ATOM 975 O LYS A 65 5.863 -12.841 2.268 1.00 0.00 O ATOM 976 CB LYS A 65 4.736 -15.947 3.005 1.00 0.00 C ATOM 977 CG LYS A 65 4.233 -17.046 2.085 1.00 0.00 C ATOM 978 CD LYS A 65 3.421 -16.480 0.933 1.00 0.00 C ATOM 979 CE LYS A 65 1.964 -16.279 1.323 1.00 0.00 C ATOM 980 NZ LYS A 65 1.053 -16.412 0.152 1.00 0.00 N ATOM 0 H LYS A 65 7.005 -16.877 3.281 1.00 0.00 H new ATOM 0 HA LYS A 65 5.940 -15.189 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.958 -16.376 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.942 -15.215 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.080 -17.609 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.621 -17.746 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.849 -15.528 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.480 -17.154 0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.687 -17.010 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.840 -15.292 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.580 -15.503 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.604 -16.684 -0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.339 -17.142 0.349 1.00 0.00 H new ATOM 994 N THR A 66 6.249 -13.675 4.323 1.00 0.00 N ATOM 995 CA THR A 66 6.315 -12.366 4.960 1.00 0.00 C ATOM 996 C THR A 66 7.135 -11.388 4.126 1.00 0.00 C ATOM 997 O THR A 66 6.663 -10.305 3.778 1.00 0.00 O ATOM 998 CB THR A 66 6.927 -12.458 6.371 1.00 0.00 C ATOM 999 OG1 THR A 66 6.429 -13.618 7.046 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.603 -11.214 7.184 1.00 0.00 C ATOM 0 H THR A 66 6.386 -14.461 4.958 1.00 0.00 H new ATOM 0 HA THR A 66 5.291 -12.002 5.039 1.00 0.00 H new ATOM 0 HB THR A 66 8.010 -12.534 6.269 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.708 -13.595 7.985 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.046 -11.302 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.009 -10.336 6.682 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.522 -11.111 7.277 1.00 0.00 H new ATOM 1008 N LYS A 67 8.365 -11.777 3.807 1.00 0.00 N ATOM 1009 CA LYS A 67 9.251 -10.936 3.011 1.00 0.00 C ATOM 1010 C LYS A 67 8.542 -10.432 1.758 1.00 0.00 C ATOM 1011 O LYS A 67 8.349 -9.229 1.584 1.00 0.00 O ATOM 1012 CB LYS A 67 10.510 -11.713 2.620 1.00 0.00 C ATOM 1013 CG LYS A 67 11.476 -11.925 3.773 1.00 0.00 C ATOM 1014 CD LYS A 67 12.275 -13.206 3.602 1.00 0.00 C ATOM 1015 CE LYS A 67 13.143 -13.489 4.819 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.211 -12.465 4.988 1.00 0.00 N ATOM 0 H LYS A 67 8.771 -12.670 4.088 1.00 0.00 H new ATOM 0 HA LYS A 67 9.536 -10.076 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.218 -12.683 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.023 -11.179 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.157 -11.076 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.922 -11.963 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.594 -14.041 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.904 -13.128 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.519 -13.514 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.597 -14.475 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.832 -12.738 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.770 -12.399 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.778 -11.542 5.193 1.00 0.00 H new ATOM 1030 N ALA A 68 8.156 -11.360 0.888 1.00 0.00 N ATOM 1031 CA ALA A 68 7.466 -11.009 -0.347 1.00 0.00 C ATOM 1032 C ALA A 68 6.348 -10.006 -0.085 1.00 0.00 C ATOM 1033 O ALA A 68 6.331 -8.916 -0.657 1.00 0.00 O ATOM 1034 CB ALA A 68 6.910 -12.259 -1.014 1.00 0.00 C ATOM 0 H ALA A 68 8.310 -12.360 1.016 1.00 0.00 H new ATOM 0 HA ALA A 68 8.188 -10.542 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.397 -11.982 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.727 -12.942 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.207 -12.749 -0.340 1.00 0.00 H new ATOM 1040 N VAL A 69 5.413 -10.381 0.783 1.00 0.00 N ATOM 1041 CA VAL A 69 4.291 -9.513 1.121 1.00 0.00 C ATOM 1042 C VAL A 69 4.773 -8.124 1.523 1.00 0.00 C ATOM 1043 O VAL A 69 4.231 -7.114 1.074 1.00 0.00 O ATOM 1044 CB VAL A 69 3.450 -10.105 2.267 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.244 -9.223 2.555 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.015 -11.523 1.931 1.00 0.00 C ATOM 0 H VAL A 69 5.411 -11.280 1.265 1.00 0.00 H new ATOM 0 HA VAL A 69 3.671 -9.434 0.228 1.00 0.00 H new ATOM 0 HB VAL A 69 4.066 -10.142 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.661 -9.657 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.582 -8.227 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.624 -9.152 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.422 -11.926 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.416 -11.514 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.895 -12.147 1.779 1.00 0.00 H new ATOM 1056 N GLU A 70 5.795 -8.080 2.372 1.00 0.00 N ATOM 1057 CA GLU A 70 6.349 -6.813 2.835 1.00 0.00 C ATOM 1058 C GLU A 70 6.872 -5.988 1.663 1.00 0.00 C ATOM 1059 O GLU A 70 6.517 -4.820 1.506 1.00 0.00 O ATOM 1060 CB GLU A 70 7.475 -7.061 3.841 1.00 0.00 C ATOM 1061 CG GLU A 70 6.992 -7.185 5.277 1.00 0.00 C ATOM 1062 CD GLU A 70 8.128 -7.400 6.258 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.012 -8.233 5.968 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.133 -6.735 7.315 1.00 0.00 O ATOM 0 H GLU A 70 6.256 -8.906 2.753 1.00 0.00 H new ATOM 0 HA GLU A 70 5.551 -6.254 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.004 -7.973 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.194 -6.244 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.446 -6.283 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.291 -8.017 5.350 1.00 0.00 H new ATOM 1071 N ASN A 71 7.718 -6.604 0.844 1.00 0.00 N ATOM 1072 CA ASN A 71 8.292 -5.926 -0.313 1.00 0.00 C ATOM 1073 C ASN A 71 7.208 -5.567 -1.326 1.00 0.00 C ATOM 1074 O ASN A 71 7.357 -4.623 -2.102 1.00 0.00 O ATOM 1075 CB ASN A 71 9.351 -6.810 -0.974 1.00 0.00 C ATOM 1076 CG ASN A 71 10.731 -6.599 -0.382 1.00 0.00 C ATOM 1077 OD1 ASN A 71 11.491 -5.744 -0.839 1.00 0.00 O ATOM 1078 ND2 ASN A 71 11.062 -7.380 0.639 1.00 0.00 N ATOM 0 H ASN A 71 8.021 -7.571 0.960 1.00 0.00 H new ATOM 0 HA ASN A 71 8.761 -5.005 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.067 -7.857 -0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.381 -6.599 -2.043 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.978 -7.285 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.400 -8.075 0.985 1.00 0.00 H new ATOM 1085 N TYR A 72 6.119 -6.327 -1.312 1.00 0.00 N ATOM 1086 CA TYR A 72 5.011 -6.091 -2.230 1.00 0.00 C ATOM 1087 C TYR A 72 4.327 -4.761 -1.928 1.00 0.00 C ATOM 1088 O TYR A 72 3.940 -4.027 -2.838 1.00 0.00 O ATOM 1089 CB TYR A 72 3.995 -7.232 -2.140 1.00 0.00 C ATOM 1090 CG TYR A 72 2.741 -6.991 -2.950 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.800 -6.839 -4.330 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.497 -6.917 -2.335 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.657 -6.617 -5.073 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.349 -6.697 -3.071 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.434 -6.548 -4.439 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.707 -6.329 -5.177 1.00 0.00 O ATOM 0 H TYR A 72 5.980 -7.112 -0.675 1.00 0.00 H new ATOM 0 HA TYR A 72 5.413 -6.050 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.466 -8.154 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.720 -7.381 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.756 -6.895 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.427 -7.033 -1.264 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.721 -6.498 -6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.610 -6.642 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.484 -6.309 -4.580 1.00 0.00 H new ATOM 1106 N LEU A 73 4.181 -4.457 -0.643 1.00 0.00 N ATOM 1107 CA LEU A 73 3.544 -3.215 -0.218 1.00 0.00 C ATOM 1108 C LEU A 73 4.447 -2.018 -0.496 1.00 0.00 C ATOM 1109 O LEU A 73 4.022 -1.035 -1.104 1.00 0.00 O ATOM 1110 CB LEU A 73 3.204 -3.277 1.272 1.00 0.00 C ATOM 1111 CG LEU A 73 2.078 -4.234 1.665 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.113 -4.516 3.159 1.00 0.00 C ATOM 1113 CD2 LEU A 73 0.727 -3.663 1.259 1.00 0.00 C ATOM 0 H LEU A 73 4.495 -5.053 0.123 1.00 0.00 H new ATOM 0 HA LEU A 73 2.624 -3.093 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.103 -3.563 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.934 -2.275 1.605 1.00 0.00 H new ATOM 0 HG LEU A 73 2.226 -5.175 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.304 -5.199 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.069 -4.969 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.991 -3.583 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.063 -4.357 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.570 -2.708 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.704 -3.515 0.179 1.00 0.00 H new ATOM 1125 N ILE A 74 5.695 -2.108 -0.049 1.00 0.00 N ATOM 1126 CA ILE A 74 6.658 -1.033 -0.252 1.00 0.00 C ATOM 1127 C ILE A 74 6.531 -0.438 -1.651 1.00 0.00 C ATOM 1128 O ILE A 74 6.253 0.750 -1.807 1.00 0.00 O ATOM 1129 CB ILE A 74 8.103 -1.525 -0.046 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.325 -1.925 1.414 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.094 -0.449 -0.462 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.673 -2.562 1.668 1.00 0.00 C ATOM 0 H ILE A 74 6.063 -2.914 0.456 1.00 0.00 H new ATOM 0 HA ILE A 74 6.435 -0.266 0.489 1.00 0.00 H new ATOM 0 HB ILE A 74 8.265 -2.402 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.226 -1.041 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.541 -2.620 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.110 -0.812 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.948 -0.208 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.935 0.445 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.761 -2.820 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.768 -3.465 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.463 -1.861 1.399 1.00 0.00 H new ATOM 1144 N GLN A 75 6.735 -1.274 -2.664 1.00 0.00 N ATOM 1145 CA GLN A 75 6.641 -0.831 -4.050 1.00 0.00 C ATOM 1146 C GLN A 75 5.359 -0.039 -4.283 1.00 0.00 C ATOM 1147 O GLN A 75 5.397 1.099 -4.750 1.00 0.00 O ATOM 1148 CB GLN A 75 6.693 -2.031 -4.996 1.00 0.00 C ATOM 1149 CG GLN A 75 7.958 -2.862 -4.856 1.00 0.00 C ATOM 1150 CD GLN A 75 8.088 -3.915 -5.940 1.00 0.00 C ATOM 1151 OE1 GLN A 75 8.081 -3.601 -7.130 1.00 0.00 O ATOM 1152 NE2 GLN A 75 8.206 -5.173 -5.532 1.00 0.00 N ATOM 0 H GLN A 75 6.966 -2.261 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 75 7.491 -0.179 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.828 -2.667 -4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.613 -1.677 -6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.826 -2.204 -4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.963 -3.348 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.207 -5.388 -4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.296 -5.925 -6.216 1.00 0.00 H new ATOM 1161 N MET A 76 4.225 -0.650 -3.955 1.00 0.00 N ATOM 1162 CA MET A 76 2.930 -0.001 -4.128 1.00 0.00 C ATOM 1163 C MET A 76 2.906 1.358 -3.435 1.00 0.00 C ATOM 1164 O MET A 76 2.340 2.319 -3.954 1.00 0.00 O ATOM 1165 CB MET A 76 1.813 -0.888 -3.575 1.00 0.00 C ATOM 1166 CG MET A 76 1.648 -2.198 -4.329 1.00 0.00 C ATOM 1167 SD MET A 76 -0.016 -2.876 -4.186 1.00 0.00 S ATOM 1168 CE MET A 76 -0.187 -2.981 -2.406 1.00 0.00 C ATOM 0 H MET A 76 4.176 -1.593 -3.568 1.00 0.00 H new ATOM 0 HA MET A 76 2.768 0.152 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.018 -1.105 -2.527 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.873 -0.338 -3.609 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.882 -2.039 -5.382 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.366 -2.925 -3.949 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.106 -3.513 -2.160 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.666 -3.517 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.225 -1.977 -1.984 1.00 0.00 H new ATOM 1178 N ALA A 77 3.524 1.429 -2.261 1.00 0.00 N ATOM 1179 CA ALA A 77 3.574 2.671 -1.498 1.00 0.00 C ATOM 1180 C ALA A 77 4.254 3.778 -2.296 1.00 0.00 C ATOM 1181 O ALA A 77 3.715 4.876 -2.437 1.00 0.00 O ATOM 1182 CB ALA A 77 4.296 2.450 -0.177 1.00 0.00 C ATOM 0 H ALA A 77 3.997 0.642 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 77 2.550 2.984 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.326 3.385 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.767 1.696 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.313 2.110 -0.371 1.00 0.00 H new ATOM 1188 N ARG A 78 5.441 3.482 -2.817 1.00 0.00 N ATOM 1189 CA ARG A 78 6.196 4.454 -3.599 1.00 0.00 C ATOM 1190 C ARG A 78 5.305 5.119 -4.645 1.00 0.00 C ATOM 1191 O ARG A 78 5.221 6.345 -4.714 1.00 0.00 O ATOM 1192 CB ARG A 78 7.385 3.777 -4.283 1.00 0.00 C ATOM 1193 CG ARG A 78 8.344 3.106 -3.313 1.00 0.00 C ATOM 1194 CD ARG A 78 9.362 2.243 -4.042 1.00 0.00 C ATOM 1195 NE ARG A 78 10.441 3.041 -4.620 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.533 2.515 -5.163 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.691 1.199 -5.202 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.471 3.306 -5.668 1.00 0.00 N ATOM 0 H ARG A 78 5.900 2.577 -2.712 1.00 0.00 H new ATOM 0 HA ARG A 78 6.566 5.222 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.013 3.032 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.930 4.520 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.862 3.866 -2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.781 2.491 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.781 1.513 -3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.863 1.682 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 78 10.351 4.057 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.973 0.587 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.531 0.798 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.354 4.319 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.309 2.901 -6.085 1.00 0.00 H new ATOM 1212 N TYR A 79 4.643 4.302 -5.456 1.00 0.00 N ATOM 1213 CA TYR A 79 3.762 4.810 -6.501 1.00 0.00 C ATOM 1214 C TYR A 79 2.593 5.583 -5.898 1.00 0.00 C ATOM 1215 O TYR A 79 2.045 6.490 -6.523 1.00 0.00 O ATOM 1216 CB TYR A 79 3.238 3.659 -7.361 1.00 0.00 C ATOM 1217 CG TYR A 79 4.308 2.989 -8.192 1.00 0.00 C ATOM 1218 CD1 TYR A 79 4.745 3.555 -9.384 1.00 0.00 C ATOM 1219 CD2 TYR A 79 4.881 1.790 -7.788 1.00 0.00 C ATOM 1220 CE1 TYR A 79 5.722 2.946 -10.148 1.00 0.00 C ATOM 1221 CE2 TYR A 79 5.860 1.175 -8.545 1.00 0.00 C ATOM 1222 CZ TYR A 79 6.276 1.757 -9.724 1.00 0.00 C ATOM 1223 OH TYR A 79 7.250 1.146 -10.481 1.00 0.00 O ATOM 0 H TYR A 79 4.700 3.285 -5.410 1.00 0.00 H new ATOM 0 HA TYR A 79 4.339 5.489 -7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.773 2.915 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.459 4.037 -8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.313 4.487 -9.719 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.556 1.330 -6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.050 3.399 -11.072 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.297 0.244 -8.215 1.00 0.00 H new ATOM 0 HH TYR A 79 7.535 0.318 -10.041 1.00 0.00 H new ATOM 1233 N GLY A 80 2.216 5.216 -4.677 1.00 0.00 N ATOM 1234 CA GLY A 80 1.115 5.884 -4.008 1.00 0.00 C ATOM 1235 C GLY A 80 -0.227 5.258 -4.334 1.00 0.00 C ATOM 1236 O GLY A 80 -1.227 5.961 -4.481 1.00 0.00 O ATOM 0 H GLY A 80 2.654 4.468 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.275 5.852 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.102 6.935 -4.297 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.248 3.934 -4.451 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.477 3.215 -4.765 1.00 0.00 C ATOM 1242 C GLN A 81 -2.289 2.948 -3.502 1.00 0.00 C ATOM 1243 O GLN A 81 -3.519 3.012 -3.516 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.155 1.895 -5.468 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.688 2.069 -6.904 1.00 0.00 C ATOM 1246 CD GLN A 81 -0.971 0.852 -7.761 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -1.865 0.060 -7.460 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -0.209 0.695 -8.837 1.00 0.00 N ATOM 0 H GLN A 81 0.571 3.338 -4.333 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.072 3.838 -5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.383 1.372 -4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.042 1.261 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.181 2.938 -7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.383 2.273 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.521 1.376 -9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.353 -0.106 -9.452 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.594 2.646 -2.410 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.251 2.368 -1.138 1.00 0.00 C ATOM 1259 C LEU A 82 -3.188 3.506 -0.748 1.00 0.00 C ATOM 1260 O LEU A 82 -2.750 4.632 -0.514 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.208 2.153 -0.040 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.523 0.785 -0.023 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.719 0.799 -0.899 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -0.169 0.384 1.402 1.00 0.00 C ATOM 0 H LEU A 82 -0.576 2.588 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.842 1.459 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.440 2.920 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.689 2.308 0.926 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.217 0.047 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.193 -0.182 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.438 1.041 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.418 1.549 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.317 -0.591 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.507 1.124 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.078 0.332 2.002 1.00 0.00 H new ATOM 1276 N SER A 83 -4.481 3.204 -0.679 1.00 0.00 N ATOM 1277 CA SER A 83 -5.481 4.203 -0.319 1.00 0.00 C ATOM 1278 C SER A 83 -5.320 4.633 1.136 1.00 0.00 C ATOM 1279 O SER A 83 -5.291 5.824 1.441 1.00 0.00 O ATOM 1280 CB SER A 83 -6.889 3.650 -0.547 1.00 0.00 C ATOM 1281 OG SER A 83 -7.087 3.302 -1.907 1.00 0.00 O ATOM 0 H SER A 83 -4.860 2.276 -0.868 1.00 0.00 H new ATOM 0 HA SER A 83 -5.333 5.075 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.045 2.774 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.628 4.393 -0.247 1.00 0.00 H new ATOM 0 HG SER A 83 -7.994 2.950 -2.026 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.217 3.653 2.028 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.060 3.930 3.451 1.00 0.00 C ATOM 1289 C GLU A 84 -4.422 2.744 4.169 1.00 0.00 C ATOM 1290 O GLU A 84 -4.383 1.632 3.642 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.416 4.254 4.082 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.471 3.187 3.840 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.659 3.319 4.773 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.365 4.346 4.692 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -8.883 2.396 5.583 1.00 0.00 O ATOM 0 H GLU A 84 -5.239 2.661 1.791 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.402 4.793 3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.285 4.386 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.774 5.204 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.816 3.250 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.022 2.202 3.967 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.923 2.990 5.375 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.287 1.944 6.168 1.00 0.00 C ATOM 1304 C LYS A 85 -4.019 0.616 6.003 1.00 0.00 C ATOM 1305 O LYS A 85 -5.249 0.568 6.007 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.258 2.342 7.646 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.422 3.579 7.926 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.263 3.819 9.418 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.214 4.883 9.703 1.00 0.00 C ATOM 1310 NZ LYS A 85 -0.863 4.942 11.149 1.00 0.00 N ATOM 0 H LYS A 85 -3.946 3.905 5.825 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.264 1.823 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.278 2.519 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.867 1.509 8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.439 3.466 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.891 4.448 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.219 4.126 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.981 2.888 9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.317 4.674 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.586 5.855 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.145 5.679 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.714 5.166 11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.485 4.022 11.452 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.254 -0.462 5.860 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.829 -1.792 5.697 1.00 0.00 C ATOM 1326 C VAL A 86 -4.141 -2.425 7.048 1.00 0.00 C ATOM 1327 O VAL A 86 -3.335 -2.363 7.976 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.883 -2.721 4.913 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.482 -4.113 4.790 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.580 -2.138 3.541 1.00 0.00 C ATOM 0 H VAL A 86 -2.234 -0.440 5.854 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.754 -1.670 5.134 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.945 -2.803 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.799 -4.755 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.642 -4.530 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.435 -4.054 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.910 -2.807 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.508 -2.024 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.104 -1.164 3.656 1.00 0.00 H new ATOM 1340 N SER A 87 -5.318 -3.035 7.152 1.00 0.00 N ATOM 1341 CA SER A 87 -5.739 -3.678 8.391 1.00 0.00 C ATOM 1342 C SER A 87 -5.579 -5.192 8.299 1.00 0.00 C ATOM 1343 O SER A 87 -5.495 -5.753 7.207 1.00 0.00 O ATOM 1344 CB SER A 87 -7.195 -3.326 8.704 1.00 0.00 C ATOM 1345 OG SER A 87 -8.065 -3.810 7.695 1.00 0.00 O ATOM 0 H SER A 87 -5.997 -3.097 6.393 1.00 0.00 H new ATOM 0 HA SER A 87 -5.102 -3.311 9.196 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.477 -3.753 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.300 -2.245 8.791 1.00 0.00 H new ATOM 0 HG SER A 87 -8.989 -3.574 7.919 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.536 -5.848 9.455 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.385 -7.297 9.506 1.00 0.00 C ATOM 1353 C GLU A 88 -6.144 -7.964 8.361 1.00 0.00 C ATOM 1354 O GLU A 88 -5.624 -8.861 7.699 1.00 0.00 O ATOM 1355 CB GLU A 88 -5.885 -7.838 10.847 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.419 -9.254 11.144 1.00 0.00 C ATOM 1357 CD GLU A 88 -5.833 -9.726 12.524 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -5.542 -9.013 13.507 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.447 -10.809 12.622 1.00 0.00 O ATOM 0 H GLU A 88 -5.604 -5.399 10.368 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.325 -7.530 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.545 -7.178 11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.975 -7.814 10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.827 -9.932 10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.333 -9.301 11.058 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.376 -7.518 8.137 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.206 -8.071 7.074 1.00 0.00 C ATOM 1368 C GLN A 89 -7.504 -7.967 5.724 1.00 0.00 C ATOM 1369 O GLN A 89 -7.111 -8.975 5.139 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.552 -7.346 7.020 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.686 -8.208 6.490 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.911 -7.396 6.117 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -11.919 -6.171 6.239 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.955 -8.076 5.658 1.00 0.00 N ATOM 0 H GLN A 89 -7.821 -6.776 8.677 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.377 -9.125 7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.808 -6.998 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.454 -6.462 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.340 -8.759 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.960 -8.946 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.905 -9.091 5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.807 -7.583 5.390 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.350 -6.740 5.236 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.696 -6.528 3.958 1.00 0.00 C ATOM 1385 C GLY A 90 -5.429 -7.346 3.812 1.00 0.00 C ATOM 1386 O GLY A 90 -5.294 -8.134 2.874 1.00 0.00 O ATOM 0 H GLY A 90 -7.666 -5.890 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.385 -6.785 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.457 -5.470 3.847 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.496 -7.160 4.740 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.232 -7.887 4.710 1.00 0.00 C ATOM 1392 C LEU A 91 -3.448 -9.340 4.299 1.00 0.00 C ATOM 1393 O LEU A 91 -3.000 -9.768 3.235 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.554 -7.827 6.080 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.099 -8.296 6.130 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.154 -7.132 5.879 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.796 -8.952 7.469 1.00 0.00 C ATOM 0 H LEU A 91 -4.591 -6.512 5.522 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.586 -7.413 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.596 -6.799 6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.134 -8.432 6.777 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.949 -9.035 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.877 -7.485 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.354 -6.706 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.306 -6.369 6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.243 -9.280 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.964 -8.234 8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.450 -9.813 7.609 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.139 -10.093 5.149 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.417 -11.496 4.873 1.00 0.00 C ATOM 1411 C ILE A 92 -4.760 -11.710 3.403 1.00 0.00 C ATOM 1412 O ILE A 92 -4.272 -12.647 2.772 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.577 -12.021 5.741 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.155 -12.088 7.210 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.027 -13.390 5.251 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.320 -12.125 8.173 1.00 0.00 C ATOM 0 H ILE A 92 -4.516 -9.754 6.034 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.511 -12.051 5.116 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.416 -11.331 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.540 -12.975 7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.531 -11.224 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.847 -13.748 5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.363 -13.314 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.194 -14.090 5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.945 -12.172 9.196 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.924 -11.226 8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.932 -13.004 7.970 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.601 -10.833 2.863 1.00 0.00 N ATOM 1429 CA GLU A 93 -6.007 -10.926 1.466 1.00 0.00 C ATOM 1430 C GLU A 93 -4.830 -10.644 0.537 1.00 0.00 C ATOM 1431 O GLU A 93 -4.731 -11.219 -0.548 1.00 0.00 O ATOM 1432 CB GLU A 93 -7.146 -9.945 1.177 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.492 -10.400 1.715 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.261 -11.249 0.721 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.712 -10.700 -0.306 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -9.411 -12.464 0.971 1.00 0.00 O ATOM 0 H GLU A 93 -6.014 -10.051 3.372 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.356 -11.942 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.899 -8.976 1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.225 -9.800 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.339 -10.970 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.088 -9.526 1.978 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.942 -9.756 0.970 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.772 -9.398 0.178 1.00 0.00 C ATOM 1445 C ILE A 94 -1.870 -10.607 -0.048 1.00 0.00 C ATOM 1446 O ILE A 94 -1.479 -10.901 -1.178 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.955 -8.281 0.854 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.805 -7.018 1.006 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.696 -7.986 0.051 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -2.053 -5.853 1.610 1.00 0.00 C ATOM 0 H ILE A 94 -4.010 -9.271 1.865 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.140 -9.037 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.658 -8.618 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.186 -6.726 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.670 -7.245 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.129 -7.195 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.084 -8.886 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.972 -7.666 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.717 -4.992 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.695 -6.126 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.204 -5.600 0.975 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.544 -11.305 1.035 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.689 -12.484 0.956 1.00 0.00 C ATOM 1464 C LEU A 95 -1.180 -13.441 -0.126 1.00 0.00 C ATOM 1465 O LEU A 95 -0.384 -14.087 -0.808 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.649 -13.201 2.306 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.056 -12.406 3.470 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -1.133 -11.581 4.157 1.00 0.00 C ATOM 1469 CD2 LEU A 95 0.618 -13.340 4.465 1.00 0.00 C ATOM 0 H LEU A 95 -1.859 -11.075 1.977 1.00 0.00 H new ATOM 0 HA LEU A 95 0.317 -12.156 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.666 -13.491 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.075 -14.120 2.190 1.00 0.00 H new ATOM 0 HG LEU A 95 0.697 -11.725 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.692 -11.022 4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.571 -10.886 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.909 -12.243 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.034 -12.757 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.115 -14.046 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.418 -13.887 3.966 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.497 -13.527 -0.279 1.00 0.00 N ATOM 1482 CA LYS A 96 -3.096 -14.402 -1.280 1.00 0.00 C ATOM 1483 C LYS A 96 -3.135 -13.721 -2.645 1.00 0.00 C ATOM 1484 O LYS A 96 -3.913 -14.104 -3.519 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.512 -14.801 -0.857 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.550 -15.966 0.116 1.00 0.00 C ATOM 1487 CD LYS A 96 -4.487 -15.491 1.558 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.836 -14.975 2.034 1.00 0.00 C ATOM 1489 NZ LYS A 96 -6.776 -16.086 2.350 1.00 0.00 N ATOM 0 H LYS A 96 -3.170 -13.001 0.278 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.480 -15.298 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.002 -13.941 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.088 -15.061 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.463 -16.541 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.714 -16.636 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.163 -16.311 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.741 -14.701 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.696 -14.355 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.273 -14.338 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.639 -15.698 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.023 -16.591 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.323 -16.746 3.014 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.290 -12.711 -2.821 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.225 -11.978 -4.080 1.00 0.00 C ATOM 1505 C LYS A 97 -0.788 -11.885 -4.582 1.00 0.00 C ATOM 1506 O LYS A 97 -0.523 -12.057 -5.771 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.808 -10.573 -3.907 1.00 0.00 C ATOM 1508 CG LYS A 97 -4.316 -10.559 -3.725 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.883 -9.158 -3.882 1.00 0.00 C ATOM 1510 CE LYS A 97 -6.339 -9.192 -4.319 1.00 0.00 C ATOM 1511 NZ LYS A 97 -7.266 -9.274 -3.156 1.00 0.00 N ATOM 0 H LYS A 97 -1.640 -12.381 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.815 -12.521 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.342 -10.099 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.550 -9.972 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.778 -11.223 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.568 -10.946 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.798 -8.622 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.295 -8.606 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.564 -8.298 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.502 -10.048 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.249 -9.295 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.068 -10.140 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.129 -8.444 -2.544 1.00 0.00 H new ATOM 1525 N VAL A 98 0.137 -11.613 -3.667 1.00 0.00 N ATOM 1526 CA VAL A 98 1.548 -11.500 -4.016 1.00 0.00 C ATOM 1527 C VAL A 98 2.074 -12.803 -4.607 1.00 0.00 C ATOM 1528 O VAL A 98 3.027 -12.804 -5.386 1.00 0.00 O ATOM 1529 CB VAL A 98 2.402 -11.124 -2.790 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.103 -12.056 -1.625 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.882 -11.155 -3.142 1.00 0.00 C ATOM 0 H VAL A 98 -0.066 -11.467 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 98 1.627 -10.708 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 98 2.145 -10.109 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.715 -11.775 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.049 -11.979 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.330 -13.082 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.470 -10.887 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.157 -12.157 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.080 -10.443 -3.943 1.00 0.00 H new