USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=13 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 Set 1.1: A 72 TYR OH : rot 30:sc=-0.00103 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 162:sc= -0.242 (180deg=-0.844) USER MOD Single : A 38 MET CE :methyl -167:sc= -0.0145 (180deg=-0.281) USER MOD Single : A 40 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.0111 K(o=-0.011,f=-2.2!) 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= -8.52! C(o=-8.5!,f=-21!) 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 -130:sc= -0.518 USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.0833 (180deg=-0.523) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 76 MET CE :methyl 136:sc= -1.86 (180deg=-3.71!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00282 K(o=-0.0028,f=-1.3) 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= -0.0478 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0.676 (180deg=0.671) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.119 -0.708 7.142 1.00 0.00 N ATOM 525 CA GLU A 37 15.792 0.526 7.847 1.00 0.00 C ATOM 526 C GLU A 37 14.835 1.384 7.025 1.00 0.00 C ATOM 527 O GLU A 37 14.179 2.281 7.554 1.00 0.00 O ATOM 528 CB GLU A 37 17.066 1.315 8.156 1.00 0.00 C ATOM 529 CG GLU A 37 17.738 0.902 9.455 1.00 0.00 C ATOM 530 CD GLU A 37 17.176 1.631 10.660 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.133 1.191 11.187 1.00 0.00 O ATOM 532 OE2 GLU A 37 17.780 2.642 11.076 1.00 0.00 O ATOM 0 HA GLU A 37 15.301 0.261 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.771 1.186 7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.823 2.377 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.618 -0.172 9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.808 1.096 9.384 1.00 0.00 H new ATOM 539 N MET A 38 14.762 1.103 5.728 1.00 0.00 N ATOM 540 CA MET A 38 13.885 1.848 4.833 1.00 0.00 C ATOM 541 C MET A 38 12.494 1.224 4.790 1.00 0.00 C ATOM 542 O MET A 38 11.490 1.909 4.985 1.00 0.00 O ATOM 543 CB MET A 38 14.480 1.895 3.424 1.00 0.00 C ATOM 544 CG MET A 38 14.711 0.521 2.816 1.00 0.00 C ATOM 545 SD MET A 38 15.633 0.592 1.268 1.00 0.00 S ATOM 546 CE MET A 38 14.479 1.484 0.228 1.00 0.00 C ATOM 0 H MET A 38 15.300 0.365 5.274 1.00 0.00 H new ATOM 0 HA MET A 38 13.795 2.865 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.813 2.463 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 38 15.427 2.433 3.456 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.253 -0.101 3.529 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.749 0.040 2.640 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.794 1.409 -0.813 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.483 1.054 0.337 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.456 2.532 0.526 1.00 0.00 H new ATOM 556 N ARG A 39 12.443 -0.079 4.533 1.00 0.00 N ATOM 557 CA ARG A 39 11.174 -0.794 4.463 1.00 0.00 C ATOM 558 C ARG A 39 10.466 -0.778 5.815 1.00 0.00 C ATOM 559 O ARG A 39 9.271 -0.495 5.897 1.00 0.00 O ATOM 560 CB ARG A 39 11.403 -2.238 4.013 1.00 0.00 C ATOM 561 CG ARG A 39 12.276 -3.042 4.962 1.00 0.00 C ATOM 562 CD ARG A 39 12.739 -4.343 4.327 1.00 0.00 C ATOM 563 NE ARG A 39 11.730 -5.393 4.432 1.00 0.00 N ATOM 564 CZ ARG A 39 11.902 -6.626 3.969 1.00 0.00 C ATOM 565 NH1 ARG A 39 13.038 -6.962 3.374 1.00 0.00 N ATOM 566 NH2 ARG A 39 10.936 -7.527 4.102 1.00 0.00 N ATOM 0 H ARG A 39 13.265 -0.661 4.370 1.00 0.00 H new ATOM 0 HA ARG A 39 10.540 -0.289 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.438 -2.735 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.864 -2.233 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.143 -2.448 5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.720 -3.259 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.974 -4.170 3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.659 -4.675 4.809 1.00 0.00 H new ATOM 0 HE ARG A 39 10.845 -5.167 4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.783 -6.273 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.167 -7.910 3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.061 -7.273 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.069 -8.474 3.746 1.00 0.00 H new ATOM 580 N ASN A 40 11.211 -1.084 6.872 1.00 0.00 N ATOM 581 CA ASN A 40 10.654 -1.105 8.219 1.00 0.00 C ATOM 582 C ASN A 40 9.822 0.146 8.484 1.00 0.00 C ATOM 583 O ASN A 40 8.781 0.084 9.138 1.00 0.00 O ATOM 584 CB ASN A 40 11.775 -1.215 9.255 1.00 0.00 C ATOM 585 CG ASN A 40 12.388 -2.601 9.300 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.870 -3.541 8.696 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.496 -2.735 10.019 1.00 0.00 N ATOM 0 H ASN A 40 12.202 -1.321 6.822 1.00 0.00 H new ATOM 0 HA ASN A 40 10.004 -1.976 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.551 -0.485 9.025 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.382 -0.963 10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.953 -3.644 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.890 -1.929 10.503 1.00 0.00 H new ATOM 594 N SER A 41 10.289 1.280 7.972 1.00 0.00 N ATOM 595 CA SER A 41 9.590 2.546 8.156 1.00 0.00 C ATOM 596 C SER A 41 8.431 2.674 7.173 1.00 0.00 C ATOM 597 O SER A 41 7.332 3.091 7.543 1.00 0.00 O ATOM 598 CB SER A 41 10.558 3.718 7.976 1.00 0.00 C ATOM 599 OG SER A 41 10.129 4.851 8.711 1.00 0.00 O ATOM 0 H SER A 41 11.148 1.348 7.427 1.00 0.00 H new ATOM 0 HA SER A 41 9.189 2.567 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.555 3.424 8.304 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.633 3.973 6.919 1.00 0.00 H new ATOM 0 HG SER A 41 10.765 5.585 8.581 1.00 0.00 H new ATOM 605 N ILE A 42 8.683 2.314 5.919 1.00 0.00 N ATOM 606 CA ILE A 42 7.661 2.387 4.883 1.00 0.00 C ATOM 607 C ILE A 42 6.543 1.383 5.142 1.00 0.00 C ATOM 608 O ILE A 42 5.438 1.517 4.614 1.00 0.00 O ATOM 609 CB ILE A 42 8.256 2.127 3.486 1.00 0.00 C ATOM 610 CG1 ILE A 42 9.402 3.100 3.207 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.177 2.250 2.420 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.441 2.553 2.253 1.00 0.00 C ATOM 0 H ILE A 42 9.587 1.969 5.596 1.00 0.00 H new ATOM 0 HA ILE A 42 7.253 3.397 4.913 1.00 0.00 H new ATOM 0 HB ILE A 42 8.652 1.112 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.992 4.022 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.886 3.358 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.612 2.064 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.390 1.520 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.754 3.254 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.223 3.297 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.878 1.647 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.971 2.321 1.297 1.00 0.00 H new ATOM 624 N LEU A 43 6.835 0.378 5.960 1.00 0.00 N ATOM 625 CA LEU A 43 5.854 -0.649 6.292 1.00 0.00 C ATOM 626 C LEU A 43 5.008 -0.227 7.489 1.00 0.00 C ATOM 627 O LEU A 43 3.872 -0.671 7.646 1.00 0.00 O ATOM 628 CB LEU A 43 6.555 -1.975 6.590 1.00 0.00 C ATOM 629 CG LEU A 43 7.285 -2.628 5.415 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.227 -3.715 5.908 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.287 -3.197 4.417 1.00 0.00 C ATOM 0 H LEU A 43 7.744 0.252 6.406 1.00 0.00 H new ATOM 0 HA LEU A 43 5.196 -0.779 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.274 -1.810 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.813 -2.679 6.967 1.00 0.00 H new ATOM 0 HG LEU A 43 7.878 -1.864 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.737 -4.168 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.964 -3.279 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.657 -4.478 6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.824 -3.658 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.667 -3.947 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.654 -2.395 4.038 1.00 0.00 H new ATOM 643 N ALA A 44 5.571 0.634 8.330 1.00 0.00 N ATOM 644 CA ALA A 44 4.868 1.119 9.511 1.00 0.00 C ATOM 645 C ALA A 44 3.911 2.251 9.154 1.00 0.00 C ATOM 646 O ALA A 44 3.070 2.643 9.963 1.00 0.00 O ATOM 647 CB ALA A 44 5.863 1.579 10.567 1.00 0.00 C ATOM 0 H ALA A 44 6.512 1.010 8.215 1.00 0.00 H new ATOM 0 HA ALA A 44 4.280 0.296 9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.323 1.939 11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.503 0.744 10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.476 2.384 10.163 1.00 0.00 H new ATOM 653 N GLN A 45 4.047 2.773 7.939 1.00 0.00 N ATOM 654 CA GLN A 45 3.194 3.862 7.476 1.00 0.00 C ATOM 655 C GLN A 45 2.049 3.331 6.621 1.00 0.00 C ATOM 656 O GLN A 45 0.945 3.876 6.635 1.00 0.00 O ATOM 657 CB GLN A 45 4.015 4.876 6.678 1.00 0.00 C ATOM 658 CG GLN A 45 4.581 4.317 5.383 1.00 0.00 C ATOM 659 CD GLN A 45 5.190 5.389 4.501 1.00 0.00 C ATOM 660 OE1 GLN A 45 6.062 6.143 4.933 1.00 0.00 O ATOM 661 NE2 GLN A 45 4.733 5.462 3.256 1.00 0.00 N ATOM 0 H GLN A 45 4.739 2.460 7.258 1.00 0.00 H new ATOM 0 HA GLN A 45 2.771 4.356 8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.389 5.738 6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.836 5.235 7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.339 3.569 5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.789 3.808 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.009 4.817 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.106 6.163 2.616 1.00 0.00 H new ATOM 670 N VAL A 46 2.319 2.264 5.875 1.00 0.00 N ATOM 671 CA VAL A 46 1.311 1.659 5.013 1.00 0.00 C ATOM 672 C VAL A 46 0.478 0.635 5.777 1.00 0.00 C ATOM 673 O VAL A 46 -0.689 0.404 5.457 1.00 0.00 O ATOM 674 CB VAL A 46 1.954 0.973 3.793 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.661 1.997 2.917 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.918 -0.115 4.240 1.00 0.00 C ATOM 0 H VAL A 46 3.228 1.801 5.851 1.00 0.00 H new ATOM 0 HA VAL A 46 0.664 2.466 4.668 1.00 0.00 H new ATOM 0 HB VAL A 46 1.166 0.507 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.110 1.495 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.940 2.737 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.440 2.494 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.363 -0.589 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.704 0.325 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.379 -0.862 4.822 1.00 0.00 H new ATOM 686 N LEU A 47 1.084 0.024 6.788 1.00 0.00 N ATOM 687 CA LEU A 47 0.399 -0.976 7.600 1.00 0.00 C ATOM 688 C LEU A 47 -0.031 -0.389 8.940 1.00 0.00 C ATOM 689 O LEU A 47 0.638 0.488 9.488 1.00 0.00 O ATOM 690 CB LEU A 47 1.307 -2.186 7.828 1.00 0.00 C ATOM 691 CG LEU A 47 1.808 -2.896 6.570 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.773 -4.013 6.936 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.639 -3.441 5.763 1.00 0.00 C ATOM 0 H LEU A 47 2.049 0.203 7.066 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.493 -1.295 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.172 -1.862 8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.768 -2.910 8.439 1.00 0.00 H new ATOM 0 HG LEU A 47 2.341 -2.171 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.119 -4.507 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.627 -3.596 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.266 -4.738 7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.015 -3.943 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.078 -4.151 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.014 -2.620 5.469 1.00 0.00 H new ATOM 705 N ASP A 48 -1.150 -0.878 9.463 1.00 0.00 N ATOM 706 CA ASP A 48 -1.668 -0.404 10.741 1.00 0.00 C ATOM 707 C ASP A 48 -1.297 -1.364 11.867 1.00 0.00 C ATOM 708 O ASP A 48 -1.018 -2.538 11.627 1.00 0.00 O ATOM 709 CB ASP A 48 -3.187 -0.242 10.672 1.00 0.00 C ATOM 710 CG ASP A 48 -3.719 0.693 11.740 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.747 1.918 11.496 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.108 0.200 12.819 1.00 0.00 O ATOM 0 H ASP A 48 -1.716 -1.603 9.021 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.217 0.566 10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.464 0.139 9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.659 -1.219 10.780 1.00 0.00 H new ATOM 717 N GLN A 49 -1.297 -0.855 13.095 1.00 0.00 N ATOM 718 CA GLN A 49 -0.958 -1.667 14.258 1.00 0.00 C ATOM 719 C GLN A 49 -1.498 -3.086 14.107 1.00 0.00 C ATOM 720 O GLN A 49 -0.868 -4.050 14.540 1.00 0.00 O ATOM 721 CB GLN A 49 -1.516 -1.030 15.532 1.00 0.00 C ATOM 722 CG GLN A 49 -1.084 -1.737 16.806 1.00 0.00 C ATOM 723 CD GLN A 49 0.288 -1.298 17.280 1.00 0.00 C ATOM 724 OE1 GLN A 49 1.110 -0.831 16.492 1.00 0.00 O ATOM 725 NE2 GLN A 49 0.541 -1.446 18.576 1.00 0.00 N ATOM 0 H GLN A 49 -1.528 0.115 13.310 1.00 0.00 H new ATOM 0 HA GLN A 49 0.128 -1.716 14.331 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.196 0.011 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.605 -1.027 15.480 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.815 -1.542 17.591 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.078 -2.814 16.636 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.170 -1.838 19.193 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.447 -1.168 18.954 1.00 0.00 H new ATOM 734 N SER A 50 -2.670 -3.205 13.490 1.00 0.00 N ATOM 735 CA SER A 50 -3.297 -4.506 13.285 1.00 0.00 C ATOM 736 C SER A 50 -2.436 -5.389 12.387 1.00 0.00 C ATOM 737 O SER A 50 -1.824 -6.352 12.848 1.00 0.00 O ATOM 738 CB SER A 50 -4.686 -4.334 12.669 1.00 0.00 C ATOM 739 OG SER A 50 -5.579 -3.723 13.585 1.00 0.00 O ATOM 0 H SER A 50 -3.204 -2.417 13.124 1.00 0.00 H new ATOM 0 HA SER A 50 -3.395 -4.992 14.256 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.614 -3.727 11.767 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.077 -5.306 12.369 1.00 0.00 H new ATOM 0 HG SER A 50 -6.459 -3.623 13.166 1.00 0.00 H new ATOM 745 N ALA A 51 -2.394 -5.053 11.102 1.00 0.00 N ATOM 746 CA ALA A 51 -1.607 -5.813 10.139 1.00 0.00 C ATOM 747 C ALA A 51 -0.175 -6.004 10.629 1.00 0.00 C ATOM 748 O ALA A 51 0.472 -7.001 10.310 1.00 0.00 O ATOM 749 CB ALA A 51 -1.615 -5.119 8.785 1.00 0.00 C ATOM 0 H ALA A 51 -2.896 -4.259 10.704 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.062 -6.798 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.023 -5.698 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.640 -5.040 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.187 -4.121 8.885 1.00 0.00 H new ATOM 755 N ARG A 52 0.313 -5.041 11.404 1.00 0.00 N ATOM 756 CA ARG A 52 1.670 -5.103 11.936 1.00 0.00 C ATOM 757 C ARG A 52 1.868 -6.362 12.775 1.00 0.00 C ATOM 758 O ARG A 52 2.859 -7.075 12.617 1.00 0.00 O ATOM 759 CB ARG A 52 1.966 -3.862 12.781 1.00 0.00 C ATOM 760 CG ARG A 52 2.162 -2.599 11.959 1.00 0.00 C ATOM 761 CD ARG A 52 3.618 -2.416 11.558 1.00 0.00 C ATOM 762 NE ARG A 52 4.448 -2.000 12.685 1.00 0.00 N ATOM 763 CZ ARG A 52 4.554 -0.741 13.094 1.00 0.00 C ATOM 764 NH1 ARG A 52 3.885 0.220 12.473 1.00 0.00 N ATOM 765 NH2 ARG A 52 5.330 -0.441 14.128 1.00 0.00 N ATOM 0 H ARG A 52 -0.210 -4.209 11.678 1.00 0.00 H new ATOM 0 HA ARG A 52 2.362 -5.135 11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.146 -3.706 13.482 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.862 -4.042 13.374 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.540 -2.645 11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.830 -1.734 12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.002 -3.351 11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.685 -1.672 10.765 1.00 0.00 H new ATOM 0 HE ARG A 52 4.975 -2.716 13.185 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.287 -0.007 11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.968 1.186 12.790 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.846 -1.178 14.609 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.411 0.526 14.441 1.00 0.00 H new ATOM 779 N ALA A 53 0.919 -6.629 13.666 1.00 0.00 N ATOM 780 CA ALA A 53 0.988 -7.802 14.528 1.00 0.00 C ATOM 781 C ALA A 53 0.950 -9.088 13.709 1.00 0.00 C ATOM 782 O ALA A 53 1.876 -9.897 13.764 1.00 0.00 O ATOM 783 CB ALA A 53 -0.150 -7.783 15.538 1.00 0.00 C ATOM 0 H ALA A 53 0.093 -6.048 13.810 1.00 0.00 H new ATOM 0 HA ALA A 53 1.936 -7.772 15.065 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.086 -8.665 16.175 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.076 -6.886 16.152 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.104 -7.785 15.011 1.00 0.00 H new ATOM 789 N ARG A 54 -0.126 -9.270 12.952 1.00 0.00 N ATOM 790 CA ARG A 54 -0.285 -10.459 12.123 1.00 0.00 C ATOM 791 C ARG A 54 0.923 -10.652 11.212 1.00 0.00 C ATOM 792 O ARG A 54 1.491 -11.743 11.139 1.00 0.00 O ATOM 793 CB ARG A 54 -1.559 -10.354 11.283 1.00 0.00 C ATOM 794 CG ARG A 54 -2.203 -11.698 10.983 1.00 0.00 C ATOM 795 CD ARG A 54 -1.504 -12.406 9.833 1.00 0.00 C ATOM 796 NE ARG A 54 -2.341 -13.446 9.241 1.00 0.00 N ATOM 797 CZ ARG A 54 -2.560 -14.626 9.811 1.00 0.00 C ATOM 798 NH1 ARG A 54 -2.006 -14.914 10.981 1.00 0.00 N ATOM 799 NH2 ARG A 54 -3.334 -15.521 9.211 1.00 0.00 N ATOM 0 H ARG A 54 -0.901 -8.609 12.895 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.363 -11.323 12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.279 -9.725 11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.324 -9.855 10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.169 -12.326 11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.255 -11.552 10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.236 -11.677 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.575 -12.849 10.191 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.782 -13.256 8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.410 -14.229 11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.176 -15.821 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.762 -15.304 8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.501 -16.426 9.650 1.00 0.00 H new ATOM 813 N LEU A 55 1.311 -9.588 10.518 1.00 0.00 N ATOM 814 CA LEU A 55 2.452 -9.640 9.611 1.00 0.00 C ATOM 815 C LEU A 55 3.671 -10.242 10.302 1.00 0.00 C ATOM 816 O LEU A 55 4.415 -11.019 9.705 1.00 0.00 O ATOM 817 CB LEU A 55 2.784 -8.238 9.097 1.00 0.00 C ATOM 818 CG LEU A 55 4.008 -8.130 8.186 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.678 -8.628 6.788 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.512 -6.695 8.138 1.00 0.00 C ATOM 0 H LEU A 55 0.852 -8.678 10.566 1.00 0.00 H new ATOM 0 HA LEU A 55 2.185 -10.276 8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.918 -7.857 8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.936 -7.584 9.956 1.00 0.00 H new ATOM 0 HG LEU A 55 4.799 -8.758 8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.561 -8.544 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.365 -9.671 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.871 -8.027 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.383 -6.637 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.726 -6.046 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.789 -6.373 9.142 1.00 0.00 H new ATOM 832 N SER A 56 3.866 -9.881 11.566 1.00 0.00 N ATOM 833 CA SER A 56 4.995 -10.385 12.340 1.00 0.00 C ATOM 834 C SER A 56 4.819 -11.866 12.657 1.00 0.00 C ATOM 835 O SER A 56 5.750 -12.658 12.516 1.00 0.00 O ATOM 836 CB SER A 56 5.148 -9.588 13.637 1.00 0.00 C ATOM 837 OG SER A 56 6.231 -10.076 14.410 1.00 0.00 O ATOM 0 H SER A 56 3.257 -9.241 12.076 1.00 0.00 H new ATOM 0 HA SER A 56 5.897 -10.265 11.740 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.308 -8.535 13.404 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.227 -9.649 14.216 1.00 0.00 H new ATOM 0 HG SER A 56 6.309 -9.549 15.233 1.00 0.00 H new ATOM 843 N ASN A 57 3.616 -12.234 13.086 1.00 0.00 N ATOM 844 CA ASN A 57 3.315 -13.620 13.424 1.00 0.00 C ATOM 845 C ASN A 57 3.631 -14.547 12.253 1.00 0.00 C ATOM 846 O ASN A 57 4.192 -15.628 12.437 1.00 0.00 O ATOM 847 CB ASN A 57 1.844 -13.764 13.820 1.00 0.00 C ATOM 848 CG ASN A 57 0.965 -14.150 12.646 1.00 0.00 C ATOM 849 OD1 ASN A 57 0.111 -13.375 12.215 1.00 0.00 O ATOM 850 ND2 ASN A 57 1.171 -15.353 12.123 1.00 0.00 N ATOM 0 H ASN A 57 2.834 -11.591 13.208 1.00 0.00 H new ATOM 0 HA ASN A 57 3.941 -13.905 14.270 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.753 -14.518 14.602 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.490 -12.823 14.242 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.610 -15.668 11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.890 -15.962 12.513 1.00 0.00 H new ATOM 857 N LEU A 58 3.269 -14.115 11.051 1.00 0.00 N ATOM 858 CA LEU A 58 3.514 -14.905 9.849 1.00 0.00 C ATOM 859 C LEU A 58 4.985 -15.293 9.743 1.00 0.00 C ATOM 860 O LEU A 58 5.314 -16.440 9.440 1.00 0.00 O ATOM 861 CB LEU A 58 3.090 -14.121 8.605 1.00 0.00 C ATOM 862 CG LEU A 58 3.174 -14.874 7.277 1.00 0.00 C ATOM 863 CD1 LEU A 58 1.977 -15.797 7.109 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.263 -13.896 6.114 1.00 0.00 C ATOM 0 H LEU A 58 2.805 -13.223 10.882 1.00 0.00 H new ATOM 0 HA LEU A 58 2.921 -15.817 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.063 -13.784 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.711 -13.228 8.533 1.00 0.00 H new ATOM 0 HG LEU A 58 4.078 -15.483 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.055 -16.324 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.958 -16.520 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.059 -15.209 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.322 -14.450 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.378 -13.260 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.153 -13.277 6.226 1.00 0.00 H new ATOM 876 N ALA A 59 5.865 -14.330 9.996 1.00 0.00 N ATOM 877 CA ALA A 59 7.301 -14.573 9.933 1.00 0.00 C ATOM 878 C ALA A 59 7.667 -15.885 10.619 1.00 0.00 C ATOM 879 O ALA A 59 8.713 -16.473 10.340 1.00 0.00 O ATOM 880 CB ALA A 59 8.060 -13.415 10.566 1.00 0.00 C ATOM 0 H ALA A 59 5.609 -13.375 10.246 1.00 0.00 H new ATOM 0 HA ALA A 59 7.586 -14.650 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.131 -13.609 10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.831 -12.494 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.762 -13.312 11.609 1.00 0.00 H new ATOM 886 N LEU A 60 6.800 -16.339 11.517 1.00 0.00 N ATOM 887 CA LEU A 60 7.032 -17.583 12.244 1.00 0.00 C ATOM 888 C LEU A 60 6.625 -18.789 11.403 1.00 0.00 C ATOM 889 O LEU A 60 7.454 -19.637 11.074 1.00 0.00 O ATOM 890 CB LEU A 60 6.255 -17.579 13.561 1.00 0.00 C ATOM 891 CG LEU A 60 6.662 -16.512 14.578 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.653 -16.445 15.714 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.057 -16.793 15.116 1.00 0.00 C ATOM 0 H LEU A 60 5.930 -15.865 11.759 1.00 0.00 H new ATOM 0 HA LEU A 60 8.098 -17.657 12.459 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.196 -17.451 13.335 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.365 -18.558 14.028 1.00 0.00 H new ATOM 0 HG LEU A 60 6.677 -15.545 14.076 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.959 -15.680 16.428 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.670 -16.195 15.314 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.605 -17.411 16.216 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.330 -16.024 15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.070 -17.768 15.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.772 -16.788 14.293 1.00 0.00 H new ATOM 905 N VAL A 61 5.344 -18.857 11.057 1.00 0.00 N ATOM 906 CA VAL A 61 4.827 -19.957 10.251 1.00 0.00 C ATOM 907 C VAL A 61 5.588 -20.080 8.936 1.00 0.00 C ATOM 908 O VAL A 61 5.882 -21.183 8.476 1.00 0.00 O ATOM 909 CB VAL A 61 3.328 -19.775 9.949 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.022 -18.323 9.615 1.00 0.00 C ATOM 911 CG2 VAL A 61 2.898 -20.694 8.815 1.00 0.00 C ATOM 0 H VAL A 61 4.645 -18.163 11.322 1.00 0.00 H new ATOM 0 HA VAL A 61 4.965 -20.868 10.833 1.00 0.00 H new ATOM 0 HB VAL A 61 2.761 -20.044 10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.958 -18.214 9.405 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.291 -17.691 10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.597 -18.022 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.836 -20.552 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.471 -20.458 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.079 -21.731 9.099 1.00 0.00 H new ATOM 921 N LYS A 62 5.905 -18.939 8.334 1.00 0.00 N ATOM 922 CA LYS A 62 6.634 -18.916 7.071 1.00 0.00 C ATOM 923 C LYS A 62 7.158 -17.516 6.770 1.00 0.00 C ATOM 924 O LYS A 62 6.406 -16.610 6.408 1.00 0.00 O ATOM 925 CB LYS A 62 5.733 -19.392 5.930 1.00 0.00 C ATOM 926 CG LYS A 62 4.305 -18.883 6.030 1.00 0.00 C ATOM 927 CD LYS A 62 3.323 -19.848 5.387 1.00 0.00 C ATOM 928 CE LYS A 62 1.902 -19.307 5.428 1.00 0.00 C ATOM 929 NZ LYS A 62 0.903 -20.341 5.040 1.00 0.00 N ATOM 0 H LYS A 62 5.668 -18.017 8.701 1.00 0.00 H new ATOM 0 HA LYS A 62 7.485 -19.591 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.160 -19.067 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.721 -20.482 5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.042 -18.739 7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.230 -17.909 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.614 -20.030 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.363 -20.807 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.680 -18.946 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.819 -18.452 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.053 -19.933 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.099 -20.667 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.964 -21.146 5.696 1.00 0.00 H new ATOM 943 N PRO A 63 8.478 -17.332 6.921 1.00 0.00 N ATOM 944 CA PRO A 63 9.132 -16.044 6.668 1.00 0.00 C ATOM 945 C PRO A 63 9.152 -15.685 5.186 1.00 0.00 C ATOM 946 O PRO A 63 9.299 -14.519 4.823 1.00 0.00 O ATOM 947 CB PRO A 63 10.556 -16.262 7.185 1.00 0.00 C ATOM 948 CG PRO A 63 10.773 -17.733 7.089 1.00 0.00 C ATOM 949 CD PRO A 63 9.434 -18.366 7.349 1.00 0.00 C ATOM 0 HA PRO A 63 8.609 -15.219 7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.283 -15.715 6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.662 -15.912 8.212 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.150 -18.008 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.511 -18.067 7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.309 -19.288 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.307 -18.619 8.402 1.00 0.00 H new ATOM 957 N GLU A 64 9.002 -16.696 4.335 1.00 0.00 N ATOM 958 CA GLU A 64 9.004 -16.485 2.892 1.00 0.00 C ATOM 959 C GLU A 64 7.935 -15.473 2.489 1.00 0.00 C ATOM 960 O GLU A 64 8.246 -14.372 2.032 1.00 0.00 O ATOM 961 CB GLU A 64 8.770 -17.808 2.161 1.00 0.00 C ATOM 962 CG GLU A 64 10.038 -18.620 1.952 1.00 0.00 C ATOM 963 CD GLU A 64 10.778 -18.231 0.687 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.263 -17.373 -0.061 1.00 0.00 O ATOM 965 OE2 GLU A 64 11.871 -18.783 0.445 1.00 0.00 O ATOM 0 H GLU A 64 8.878 -17.668 4.620 1.00 0.00 H new ATOM 0 HA GLU A 64 9.980 -16.089 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.055 -18.405 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.316 -17.603 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.697 -18.485 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.784 -19.679 1.909 1.00 0.00 H new ATOM 972 N LYS A 65 6.674 -15.853 2.661 1.00 0.00 N ATOM 973 CA LYS A 65 5.557 -14.981 2.317 1.00 0.00 C ATOM 974 C LYS A 65 5.794 -13.565 2.832 1.00 0.00 C ATOM 975 O LYS A 65 5.825 -12.608 2.058 1.00 0.00 O ATOM 976 CB LYS A 65 4.253 -15.534 2.896 1.00 0.00 C ATOM 977 CG LYS A 65 3.900 -16.920 2.384 1.00 0.00 C ATOM 978 CD LYS A 65 3.066 -16.850 1.116 1.00 0.00 C ATOM 979 CE LYS A 65 3.927 -16.551 -0.102 1.00 0.00 C ATOM 980 NZ LYS A 65 3.342 -17.119 -1.348 1.00 0.00 N ATOM 0 H LYS A 65 6.399 -16.760 3.037 1.00 0.00 H new ATOM 0 HA LYS A 65 5.478 -14.946 1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.333 -15.567 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.440 -14.849 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.814 -17.481 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.351 -17.464 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.544 -17.795 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.304 -16.078 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.038 -15.472 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.926 -16.961 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.958 -16.894 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.259 -18.151 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.399 -16.709 -1.507 1.00 0.00 H new ATOM 994 N THR A 66 5.963 -13.438 4.145 1.00 0.00 N ATOM 995 CA THR A 66 6.198 -12.139 4.763 1.00 0.00 C ATOM 996 C THR A 66 7.101 -11.272 3.894 1.00 0.00 C ATOM 997 O THR A 66 6.700 -10.200 3.439 1.00 0.00 O ATOM 998 CB THR A 66 6.835 -12.288 6.158 1.00 0.00 C ATOM 999 OG1 THR A 66 6.387 -13.501 6.774 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.481 -11.103 7.043 1.00 0.00 C ATOM 0 H THR A 66 5.941 -14.219 4.801 1.00 0.00 H new ATOM 0 HA THR A 66 5.226 -11.657 4.865 1.00 0.00 H new ATOM 0 HB THR A 66 7.918 -12.321 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.069 -13.309 7.681 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.942 -11.230 8.023 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.849 -10.185 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.398 -11.044 7.156 1.00 0.00 H new ATOM 1008 N LYS A 67 8.323 -11.741 3.667 1.00 0.00 N ATOM 1009 CA LYS A 67 9.284 -11.009 2.850 1.00 0.00 C ATOM 1010 C LYS A 67 8.618 -10.448 1.598 1.00 0.00 C ATOM 1011 O LYS A 67 8.489 -9.234 1.444 1.00 0.00 O ATOM 1012 CB LYS A 67 10.449 -11.921 2.456 1.00 0.00 C ATOM 1013 CG LYS A 67 11.340 -12.308 3.623 1.00 0.00 C ATOM 1014 CD LYS A 67 12.760 -12.599 3.168 1.00 0.00 C ATOM 1015 CE LYS A 67 13.559 -11.319 2.981 1.00 0.00 C ATOM 1016 NZ LYS A 67 13.747 -10.590 4.266 1.00 0.00 N ATOM 0 H LYS A 67 8.672 -12.625 4.037 1.00 0.00 H new ATOM 0 HA LYS A 67 9.666 -10.177 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.052 -12.826 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.053 -11.419 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.350 -11.502 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.929 -13.187 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.255 -13.234 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.736 -13.154 2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.533 -11.558 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.047 -10.672 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.581 -9.972 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.905 -10.013 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.887 -11.275 5.036 1.00 0.00 H new ATOM 1030 N ALA A 68 8.196 -11.339 0.707 1.00 0.00 N ATOM 1031 CA ALA A 68 7.541 -10.932 -0.529 1.00 0.00 C ATOM 1032 C ALA A 68 6.515 -9.834 -0.271 1.00 0.00 C ATOM 1033 O ALA A 68 6.487 -8.820 -0.969 1.00 0.00 O ATOM 1034 CB ALA A 68 6.878 -12.130 -1.194 1.00 0.00 C ATOM 0 H ALA A 68 8.296 -12.348 0.819 1.00 0.00 H new ATOM 0 HA ALA A 68 8.302 -10.532 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.392 -11.812 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.632 -12.883 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.134 -12.555 -0.520 1.00 0.00 H new ATOM 1040 N VAL A 69 5.673 -10.041 0.736 1.00 0.00 N ATOM 1041 CA VAL A 69 4.646 -9.068 1.087 1.00 0.00 C ATOM 1042 C VAL A 69 5.250 -7.685 1.304 1.00 0.00 C ATOM 1043 O VAL A 69 4.891 -6.727 0.622 1.00 0.00 O ATOM 1044 CB VAL A 69 3.884 -9.489 2.358 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.733 -8.534 2.632 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.383 -10.920 2.229 1.00 0.00 C ATOM 0 H VAL A 69 5.682 -10.875 1.324 1.00 0.00 H new ATOM 0 HA VAL A 69 3.948 -9.029 0.251 1.00 0.00 H new ATOM 0 HB VAL A 69 4.570 -9.444 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.207 -8.848 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.122 -7.525 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.044 -8.543 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.847 -11.201 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.712 -10.995 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.230 -11.591 2.086 1.00 0.00 H new ATOM 1056 N GLU A 70 6.169 -7.591 2.260 1.00 0.00 N ATOM 1057 CA GLU A 70 6.823 -6.324 2.567 1.00 0.00 C ATOM 1058 C GLU A 70 7.216 -5.591 1.288 1.00 0.00 C ATOM 1059 O GLU A 70 6.811 -4.451 1.064 1.00 0.00 O ATOM 1060 CB GLU A 70 8.062 -6.561 3.434 1.00 0.00 C ATOM 1061 CG GLU A 70 7.747 -6.732 4.910 1.00 0.00 C ATOM 1062 CD GLU A 70 7.333 -8.149 5.258 1.00 0.00 C ATOM 1063 OE1 GLU A 70 6.149 -8.487 5.054 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.193 -8.919 5.735 1.00 0.00 O ATOM 0 H GLU A 70 6.477 -8.376 2.834 1.00 0.00 H new ATOM 0 HA GLU A 70 6.116 -5.704 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.581 -7.450 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.747 -5.722 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.623 -6.458 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.948 -6.045 5.189 1.00 0.00 H new ATOM 1071 N ASN A 71 8.010 -6.254 0.453 1.00 0.00 N ATOM 1072 CA ASN A 71 8.459 -5.665 -0.804 1.00 0.00 C ATOM 1073 C ASN A 71 7.272 -5.287 -1.683 1.00 0.00 C ATOM 1074 O ASN A 71 7.271 -4.235 -2.324 1.00 0.00 O ATOM 1075 CB ASN A 71 9.371 -6.641 -1.551 1.00 0.00 C ATOM 1076 CG ASN A 71 10.042 -6.002 -2.751 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.365 -4.815 -2.736 1.00 0.00 O ATOM 1078 ND2 ASN A 71 10.254 -6.790 -3.799 1.00 0.00 N ATOM 0 H ASN A 71 8.355 -7.198 0.624 1.00 0.00 H new ATOM 0 HA ASN A 71 9.019 -4.759 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.134 -7.016 -0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.787 -7.501 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.701 -6.416 -4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.969 -7.769 -3.767 1.00 0.00 H new ATOM 1085 N TYR A 72 6.262 -6.150 -1.708 1.00 0.00 N ATOM 1086 CA TYR A 72 5.069 -5.907 -2.510 1.00 0.00 C ATOM 1087 C TYR A 72 4.401 -4.595 -2.109 1.00 0.00 C ATOM 1088 O TYR A 72 4.031 -3.787 -2.962 1.00 0.00 O ATOM 1089 CB TYR A 72 4.080 -7.064 -2.354 1.00 0.00 C ATOM 1090 CG TYR A 72 2.742 -6.810 -3.011 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.665 -6.304 -4.302 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.555 -7.078 -2.340 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.445 -6.069 -4.906 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.330 -6.848 -2.936 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.281 -6.343 -4.219 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.937 -6.113 -4.817 1.00 0.00 O ATOM 0 H TYR A 72 6.246 -7.024 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 72 5.373 -5.835 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.519 -7.966 -2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.923 -7.256 -1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.575 -6.090 -4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.591 -7.473 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.403 -5.673 -5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.583 -7.062 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.852 -6.228 -5.787 1.00 0.00 H new ATOM 1106 N LEU A 73 4.249 -4.390 -0.805 1.00 0.00 N ATOM 1107 CA LEU A 73 3.627 -3.176 -0.289 1.00 0.00 C ATOM 1108 C LEU A 73 4.449 -1.945 -0.654 1.00 0.00 C ATOM 1109 O LEU A 73 3.944 -1.013 -1.282 1.00 0.00 O ATOM 1110 CB LEU A 73 3.469 -3.267 1.230 1.00 0.00 C ATOM 1111 CG LEU A 73 2.484 -4.319 1.741 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.668 -4.540 3.235 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.053 -3.904 1.434 1.00 0.00 C ATOM 0 H LEU A 73 4.548 -5.049 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 73 2.642 -3.080 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.447 -3.472 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.153 -2.292 1.601 1.00 0.00 H new ATOM 0 HG LEU A 73 2.686 -5.259 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.959 -5.292 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.684 -4.883 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.493 -3.604 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.366 -4.665 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.838 -2.953 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.928 -3.797 0.356 1.00 0.00 H new ATOM 1125 N ILE A 74 5.717 -1.948 -0.259 1.00 0.00 N ATOM 1126 CA ILE A 74 6.610 -0.833 -0.548 1.00 0.00 C ATOM 1127 C ILE A 74 6.380 -0.295 -1.957 1.00 0.00 C ATOM 1128 O ILE A 74 6.089 0.886 -2.140 1.00 0.00 O ATOM 1129 CB ILE A 74 8.088 -1.242 -0.402 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.463 -1.360 1.076 1.00 0.00 C ATOM 1131 CG2 ILE A 74 8.988 -0.235 -1.103 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.824 -1.978 1.307 1.00 0.00 C ATOM 0 H ILE A 74 6.150 -2.711 0.262 1.00 0.00 H new ATOM 0 HA ILE A 74 6.384 -0.052 0.178 1.00 0.00 H new ATOM 0 HB ILE A 74 8.229 -2.215 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.442 -0.368 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.709 -1.959 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.029 -0.538 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.734 -0.195 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.847 0.750 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.023 -2.030 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.844 -2.983 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.587 -1.367 0.825 1.00 0.00 H new ATOM 1144 N GLN A 75 6.511 -1.172 -2.947 1.00 0.00 N ATOM 1145 CA GLN A 75 6.317 -0.784 -4.340 1.00 0.00 C ATOM 1146 C GLN A 75 4.999 -0.038 -4.518 1.00 0.00 C ATOM 1147 O GLN A 75 4.929 0.952 -5.246 1.00 0.00 O ATOM 1148 CB GLN A 75 6.343 -2.019 -5.243 1.00 0.00 C ATOM 1149 CG GLN A 75 7.665 -2.768 -5.212 1.00 0.00 C ATOM 1150 CD GLN A 75 7.790 -3.779 -6.334 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.818 -4.441 -6.700 1.00 0.00 O ATOM 1152 NE2 GLN A 75 8.990 -3.903 -6.888 1.00 0.00 N ATOM 0 H GLN A 75 6.750 -2.154 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 75 7.132 -0.118 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.544 -2.696 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.132 -1.714 -6.268 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.485 -2.053 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.766 -3.279 -4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.768 -3.334 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.134 -4.567 -7.649 1.00 0.00 H new ATOM 1161 N MET A 76 3.957 -0.518 -3.848 1.00 0.00 N ATOM 1162 CA MET A 76 2.641 0.105 -3.932 1.00 0.00 C ATOM 1163 C MET A 76 2.643 1.472 -3.255 1.00 0.00 C ATOM 1164 O MET A 76 1.928 2.383 -3.672 1.00 0.00 O ATOM 1165 CB MET A 76 1.585 -0.794 -3.288 1.00 0.00 C ATOM 1166 CG MET A 76 1.242 -2.020 -4.119 1.00 0.00 C ATOM 1167 SD MET A 76 -0.446 -2.593 -3.847 1.00 0.00 S ATOM 1168 CE MET A 76 -0.429 -2.873 -2.078 1.00 0.00 C ATOM 0 H MET A 76 3.998 -1.336 -3.241 1.00 0.00 H new ATOM 0 HA MET A 76 2.398 0.241 -4.986 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.942 -1.116 -2.310 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.678 -0.213 -3.121 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.377 -1.788 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.938 -2.824 -3.878 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.343 -2.474 -1.638 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.368 -3.943 -1.880 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.434 -2.373 -1.639 1.00 0.00 H new ATOM 1178 N ALA A 77 3.450 1.608 -2.208 1.00 0.00 N ATOM 1179 CA ALA A 77 3.546 2.864 -1.475 1.00 0.00 C ATOM 1180 C ALA A 77 4.232 3.938 -2.313 1.00 0.00 C ATOM 1181 O ALA A 77 3.653 4.989 -2.586 1.00 0.00 O ATOM 1182 CB ALA A 77 4.293 2.656 -0.166 1.00 0.00 C ATOM 0 H ALA A 77 4.047 0.863 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 77 2.535 3.204 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.357 3.603 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.760 1.928 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.298 2.289 -0.375 1.00 0.00 H new ATOM 1188 N ARG A 78 5.468 3.667 -2.717 1.00 0.00 N ATOM 1189 CA ARG A 78 6.233 4.611 -3.522 1.00 0.00 C ATOM 1190 C ARG A 78 5.363 5.223 -4.616 1.00 0.00 C ATOM 1191 O ARG A 78 5.205 6.442 -4.689 1.00 0.00 O ATOM 1192 CB ARG A 78 7.444 3.916 -4.148 1.00 0.00 C ATOM 1193 CG ARG A 78 8.373 3.276 -3.129 1.00 0.00 C ATOM 1194 CD ARG A 78 9.405 2.384 -3.800 1.00 0.00 C ATOM 1195 NE ARG A 78 10.620 3.117 -4.146 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.628 2.588 -4.831 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.566 1.328 -5.241 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.700 3.319 -5.108 1.00 0.00 N ATOM 0 H ARG A 78 5.961 2.801 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 78 6.579 5.411 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.095 3.150 -4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.007 4.643 -4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.879 4.054 -2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.789 2.689 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.657 1.558 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.976 1.948 -4.702 1.00 0.00 H new ATOM 0 HE ARG A 78 10.699 4.088 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.743 0.763 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.341 0.924 -5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.751 4.288 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.473 2.912 -5.634 1.00 0.00 H new ATOM 1212 N TYR A 79 4.801 4.369 -5.465 1.00 0.00 N ATOM 1213 CA TYR A 79 3.950 4.825 -6.556 1.00 0.00 C ATOM 1214 C TYR A 79 2.807 5.689 -6.031 1.00 0.00 C ATOM 1215 O TYR A 79 2.559 6.783 -6.535 1.00 0.00 O ATOM 1216 CB TYR A 79 3.388 3.629 -7.327 1.00 0.00 C ATOM 1217 CG TYR A 79 4.333 3.085 -8.374 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.531 2.482 -8.011 1.00 0.00 C ATOM 1219 CD2 TYR A 79 4.027 3.172 -9.726 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.398 1.984 -8.964 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.888 2.676 -10.687 1.00 0.00 C ATOM 1222 CZ TYR A 79 6.072 2.083 -10.300 1.00 0.00 C ATOM 1223 OH TYR A 79 6.932 1.587 -11.253 1.00 0.00 O ATOM 0 H TYR A 79 4.920 3.357 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 79 4.558 5.429 -7.229 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.145 2.835 -6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.456 3.924 -7.809 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.789 2.401 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.100 3.635 -10.032 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.326 1.520 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.635 2.752 -11.734 1.00 0.00 H new ATOM 0 HH TYR A 79 6.553 1.735 -12.145 1.00 0.00 H new ATOM 1233 N GLY A 80 2.114 5.187 -5.014 1.00 0.00 N ATOM 1234 CA GLY A 80 1.005 5.924 -4.436 1.00 0.00 C ATOM 1235 C GLY A 80 -0.333 5.265 -4.704 1.00 0.00 C ATOM 1236 O GLY A 80 -1.349 5.945 -4.847 1.00 0.00 O ATOM 0 H GLY A 80 2.300 4.283 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.154 6.013 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.995 6.936 -4.841 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.333 3.938 -4.775 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.557 3.188 -5.031 1.00 0.00 C ATOM 1242 C GLN A 81 -2.361 3.003 -3.749 1.00 0.00 C ATOM 1243 O GLN A 81 -3.581 3.169 -3.739 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.226 1.824 -5.641 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.410 1.912 -6.921 1.00 0.00 C ATOM 1246 CD GLN A 81 -1.261 2.232 -8.134 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -2.483 2.345 -8.037 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -0.618 2.381 -9.286 1.00 0.00 N ATOM 0 H GLN A 81 0.500 3.361 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.161 3.758 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.676 1.232 -4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.155 1.293 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.356 2.679 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.107 0.966 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.396 2.279 -9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.138 2.598 -10.136 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.670 2.658 -2.668 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.320 2.450 -1.379 1.00 0.00 C ATOM 1259 C LEU A 82 -3.154 3.665 -0.987 1.00 0.00 C ATOM 1260 O LEU A 82 -2.676 4.799 -1.030 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.274 2.165 -0.299 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.413 0.919 -0.510 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.960 1.107 0.115 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.100 -0.309 0.067 1.00 0.00 C ATOM 0 H LEU A 82 -0.660 2.516 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.984 1.591 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.614 3.029 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.786 2.070 0.658 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.284 0.768 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.559 0.210 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.456 1.961 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.852 1.284 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.472 -1.186 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.261 -0.168 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.060 -0.455 -0.428 1.00 0.00 H new ATOM 1276 N SER A 83 -4.402 3.420 -0.602 1.00 0.00 N ATOM 1277 CA SER A 83 -5.304 4.495 -0.204 1.00 0.00 C ATOM 1278 C SER A 83 -5.286 4.686 1.310 1.00 0.00 C ATOM 1279 O SER A 83 -4.994 5.774 1.805 1.00 0.00 O ATOM 1280 CB SER A 83 -6.728 4.195 -0.675 1.00 0.00 C ATOM 1281 OG SER A 83 -7.530 5.364 -0.652 1.00 0.00 O ATOM 0 H SER A 83 -4.812 2.487 -0.557 1.00 0.00 H new ATOM 0 HA SER A 83 -4.961 5.417 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.702 3.788 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.173 3.432 -0.036 1.00 0.00 H new ATOM 0 HG SER A 83 -8.435 5.146 -0.959 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.602 3.620 2.038 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.624 3.670 3.495 1.00 0.00 C ATOM 1289 C GLU A 84 -4.700 2.611 4.090 1.00 0.00 C ATOM 1290 O GLU A 84 -4.150 1.776 3.371 1.00 0.00 O ATOM 1291 CB GLU A 84 -7.049 3.468 4.014 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.614 2.088 3.719 1.00 0.00 C ATOM 1293 CD GLU A 84 -9.129 2.052 3.783 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.671 1.797 4.879 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.772 2.280 2.737 1.00 0.00 O ATOM 0 H GLU A 84 -5.846 2.712 1.643 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.269 4.653 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.061 3.634 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.699 4.221 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.288 1.770 2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.207 1.372 4.433 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.533 2.652 5.407 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.676 1.698 6.101 1.00 0.00 C ATOM 1304 C LYS A 85 -4.254 0.288 6.018 1.00 0.00 C ATOM 1305 O LYS A 85 -5.452 0.085 6.214 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.506 2.105 7.566 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.800 3.437 7.749 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.501 3.714 9.213 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.616 4.940 9.379 1.00 0.00 C ATOM 1310 NZ LYS A 85 -1.406 5.282 10.813 1.00 0.00 N ATOM 0 H LYS A 85 -4.981 3.337 6.016 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.701 1.702 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.488 2.156 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.943 1.330 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.870 3.438 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.421 4.237 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.435 3.862 9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.010 2.847 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.652 4.759 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.070 5.788 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.798 6.123 10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.324 5.480 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.949 4.483 11.297 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.394 -0.683 5.727 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.819 -2.074 5.621 1.00 0.00 C ATOM 1326 C VAL A 86 -4.038 -2.688 6.999 1.00 0.00 C ATOM 1327 O VAL A 86 -3.219 -2.519 7.902 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.786 -2.919 4.852 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.250 -4.363 4.746 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.535 -2.328 3.472 1.00 0.00 C ATOM 0 H VAL A 86 -2.399 -0.532 5.560 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.761 -2.077 5.072 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.847 -2.904 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.507 -4.945 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.374 -4.780 5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.202 -4.401 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.803 -2.938 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.468 -2.311 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.154 -1.312 3.575 1.00 0.00 H new ATOM 1340 N SER A 87 -5.148 -3.403 7.152 1.00 0.00 N ATOM 1341 CA SER A 87 -5.476 -4.041 8.422 1.00 0.00 C ATOM 1342 C SER A 87 -5.267 -5.550 8.342 1.00 0.00 C ATOM 1343 O SER A 87 -5.121 -6.110 7.256 1.00 0.00 O ATOM 1344 CB SER A 87 -6.924 -3.735 8.810 1.00 0.00 C ATOM 1345 OG SER A 87 -7.199 -4.163 10.133 1.00 0.00 O ATOM 0 H SER A 87 -5.835 -3.555 6.413 1.00 0.00 H new ATOM 0 HA SER A 87 -4.809 -3.640 9.185 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.108 -2.664 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.602 -4.231 8.116 1.00 0.00 H new ATOM 0 HG SER A 87 -8.130 -3.955 10.357 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.253 -6.201 9.501 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.060 -7.645 9.562 1.00 0.00 C ATOM 1353 C GLU A 88 -5.758 -8.337 8.395 1.00 0.00 C ATOM 1354 O GLU A 88 -5.112 -8.967 7.558 1.00 0.00 O ATOM 1355 CB GLU A 88 -5.590 -8.197 10.887 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.244 -9.658 11.120 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.232 -10.352 12.037 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.374 -10.601 11.600 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -5.861 -10.647 13.193 1.00 0.00 O ATOM 0 H GLU A 88 -5.373 -5.752 10.409 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.991 -7.846 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.187 -7.602 11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.673 -8.081 10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.216 -10.178 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.245 -9.727 11.550 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.081 -8.216 8.348 1.00 0.00 N ATOM 1367 CA GLN A 89 -7.867 -8.831 7.285 1.00 0.00 C ATOM 1368 C GLN A 89 -7.229 -8.581 5.923 1.00 0.00 C ATOM 1369 O GLN A 89 -6.910 -9.520 5.194 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.296 -8.288 7.299 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.171 -8.906 8.378 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.642 -8.906 8.008 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.182 -7.892 7.564 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.297 -10.046 8.188 1.00 0.00 N ATOM 0 H GLN A 89 -7.631 -7.698 9.033 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.893 -9.906 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.264 -7.208 7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.753 -8.466 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.846 -9.930 8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.035 -8.357 9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.809 -10.861 8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.288 -10.107 7.956 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.046 -7.309 5.584 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.447 -6.958 4.309 1.00 0.00 C ATOM 1385 C GLY A 90 -5.121 -7.657 4.080 1.00 0.00 C ATOM 1386 O GLY A 90 -4.873 -8.195 3.000 1.00 0.00 O ATOM 0 H GLY A 90 -7.302 -6.514 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.135 -7.217 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.298 -5.879 4.266 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.266 -7.647 5.097 1.00 0.00 N ATOM 1391 CA LEU A 91 -2.957 -8.283 5.001 1.00 0.00 C ATOM 1392 C LEU A 91 -3.085 -9.723 4.513 1.00 0.00 C ATOM 1393 O LEU A 91 -2.616 -10.064 3.427 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.253 -8.254 6.359 1.00 0.00 C ATOM 1395 CG LEU A 91 -0.888 -8.939 6.422 1.00 0.00 C ATOM 1396 CD1 LEU A 91 0.223 -7.942 6.128 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.678 -9.587 7.783 1.00 0.00 C ATOM 0 H LEU A 91 -4.456 -7.206 5.997 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.362 -7.725 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.129 -7.214 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.907 -8.723 7.095 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.859 -9.720 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.188 -8.447 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.083 -7.524 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.196 -7.139 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.299 -10.070 7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.727 -8.825 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.455 -10.331 7.955 1.00 0.00 H new ATOM 1409 N ILE A 92 -3.725 -10.561 5.321 1.00 0.00 N ATOM 1410 CA ILE A 92 -3.918 -11.963 4.970 1.00 0.00 C ATOM 1411 C ILE A 92 -4.150 -12.127 3.472 1.00 0.00 C ATOM 1412 O ILE A 92 -3.492 -12.935 2.817 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.107 -12.576 5.733 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -4.720 -12.854 7.187 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -5.573 -13.853 5.049 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -5.892 -12.813 8.142 1.00 0.00 C ATOM 0 H ILE A 92 -4.119 -10.294 6.223 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.006 -12.488 5.254 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.931 -11.862 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.246 -13.834 7.248 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.978 -12.121 7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.414 -14.275 5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.884 -13.627 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.755 -14.573 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.544 -13.019 9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.353 -11.826 8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.625 -13.565 7.851 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.089 -11.354 2.936 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.407 -11.413 1.514 1.00 0.00 C ATOM 1430 C GLU A 93 -4.156 -11.194 0.667 1.00 0.00 C ATOM 1431 O GLU A 93 -3.958 -11.861 -0.349 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.465 -10.366 1.161 1.00 0.00 C ATOM 1433 CG GLU A 93 -7.856 -10.713 1.665 1.00 0.00 C ATOM 1434 CD GLU A 93 -8.640 -11.558 0.679 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -8.680 -11.194 -0.515 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -9.212 -12.584 1.102 1.00 0.00 O ATOM 0 H GLU A 93 -5.643 -10.680 3.465 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.802 -12.405 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.166 -9.404 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.499 -10.247 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.773 -11.248 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.405 -9.793 1.867 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.318 -10.256 1.093 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.087 -9.949 0.375 1.00 0.00 C ATOM 1445 C ILE A 94 -1.101 -11.109 0.454 1.00 0.00 C ATOM 1446 O ILE A 94 -0.304 -11.325 -0.460 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.414 -8.679 0.929 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.176 -7.433 0.476 1.00 0.00 C ATOM 1449 CG2 ILE A 94 0.038 -8.611 0.480 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.759 -6.173 1.202 1.00 0.00 C ATOM 0 H ILE A 94 -3.469 -9.695 1.932 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.362 -9.780 -0.666 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.436 -8.719 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.024 -7.293 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.243 -7.594 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.500 -7.708 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.574 -9.486 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.082 -8.590 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.340 -5.329 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.937 -6.293 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.699 -5.987 1.029 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.161 -11.856 1.551 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.274 -12.997 1.749 1.00 0.00 C ATOM 1464 C LEU A 95 -0.603 -14.119 0.769 1.00 0.00 C ATOM 1465 O LEU A 95 0.234 -14.976 0.486 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.385 -13.511 3.186 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.070 -12.498 4.287 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.211 -13.140 5.659 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.330 -11.930 4.104 1.00 0.00 C ATOM 0 H LEU A 95 -1.814 -11.692 2.317 1.00 0.00 H new ATOM 0 HA LEU A 95 0.749 -12.667 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.398 -13.882 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.287 -14.362 3.299 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.785 -11.679 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.017 -12.404 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.232 -13.498 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.481 -13.978 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.537 -11.211 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.059 -12.739 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.397 -11.433 3.136 1.00 0.00 H new ATOM 1481 N LYS A 96 -1.827 -14.106 0.252 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.266 -15.119 -0.700 1.00 0.00 C ATOM 1483 C LYS A 96 -2.338 -14.545 -2.111 1.00 0.00 C ATOM 1484 O LYS A 96 -2.557 -15.275 -3.079 1.00 0.00 O ATOM 1485 CB LYS A 96 -3.634 -15.672 -0.292 1.00 0.00 C ATOM 1486 CG LYS A 96 -3.841 -15.736 1.211 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.293 -16.010 1.563 1.00 0.00 C ATOM 1488 CE LYS A 96 -6.150 -14.763 1.409 1.00 0.00 C ATOM 1489 NZ LYS A 96 -7.597 -15.094 1.292 1.00 0.00 N ATOM 0 H LYS A 96 -2.533 -13.405 0.477 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.536 -15.929 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.414 -15.050 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.751 -16.672 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.210 -16.518 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.528 -14.795 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.681 -16.801 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.357 -16.372 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.996 -14.108 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.831 -14.211 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.151 -14.215 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.756 -15.655 0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.896 -15.643 2.123 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.152 -13.235 -2.222 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.192 -12.562 -3.515 1.00 0.00 C ATOM 1505 C LYS A 97 -0.783 -12.261 -4.016 1.00 0.00 C ATOM 1506 O LYS A 97 -0.515 -12.315 -5.217 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.997 -11.265 -3.414 1.00 0.00 C ATOM 1508 CG LYS A 97 -2.151 -10.049 -3.077 1.00 0.00 C ATOM 1509 CD LYS A 97 -1.592 -9.395 -4.329 1.00 0.00 C ATOM 1510 CE LYS A 97 -2.674 -8.655 -5.102 1.00 0.00 C ATOM 1511 NZ LYS A 97 -3.440 -7.722 -4.229 1.00 0.00 N ATOM 0 H LYS A 97 -1.972 -12.617 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.677 -13.229 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.509 -11.090 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.767 -11.384 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.753 -9.327 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.331 -10.345 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.799 -8.699 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.142 -10.155 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.218 -8.096 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.357 -9.376 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.944 -7.029 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.127 -8.261 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.784 -7.224 -3.594 1.00 0.00 H new ATOM 1525 N VAL A 98 0.115 -11.944 -3.089 1.00 0.00 N ATOM 1526 CA VAL A 98 1.497 -11.637 -3.436 1.00 0.00 C ATOM 1527 C VAL A 98 2.226 -12.877 -3.941 1.00 0.00 C ATOM 1528 O VAL A 98 3.335 -12.787 -4.467 1.00 0.00 O ATOM 1529 CB VAL A 98 2.264 -11.060 -2.231 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.352 -12.087 -1.113 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.650 -10.598 -2.654 1.00 0.00 C ATOM 0 H VAL A 98 -0.090 -11.893 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 98 1.465 -10.890 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 98 1.718 -10.195 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.897 -11.662 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.347 -12.363 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.875 -12.973 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.178 -10.193 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.208 -11.443 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.559 -9.826 -3.418 1.00 0.00 H new