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 Single : A 38 MET CE :methyl 160:sc= -0.0365 (180deg=-0.873) USER MOD Single : A 40 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.7!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.87) USER MOD Single : A 49 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.9) 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= 0.335 X(o=0.33,f=-0.00012) USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= -0.0754 (180deg=-0.549) USER MOD Single : A 65 LYS NZ :NH3+ 151:sc= -1.26 (180deg=-2.58!) USER MOD Single : A 66 THR OG1 : rot 78:sc= -1.92 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 72 TYR OH : rot -82:sc= -0.686 USER MOD Single : A 75 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.1!) USER MOD Single : A 76 MET CE :methyl 174:sc= -1.78 (180deg=-1.89) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.0041) 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= -0.47 X(o=-0.47,f=-0.72) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -125:sc= -1.29 (180deg=-3.65!) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 15.988 1.037 7.392 1.00 0.00 N ATOM 525 CA GLU A 37 15.348 2.075 8.192 1.00 0.00 C ATOM 526 C GLU A 37 14.177 2.698 7.437 1.00 0.00 C ATOM 527 O GLU A 37 13.212 3.164 8.043 1.00 0.00 O ATOM 528 CB GLU A 37 16.362 3.158 8.568 1.00 0.00 C ATOM 529 CG GLU A 37 17.412 2.690 9.561 1.00 0.00 C ATOM 530 CD GLU A 37 16.947 2.809 11.000 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.269 1.879 11.484 1.00 0.00 O ATOM 532 OE2 GLU A 37 17.264 3.832 11.642 1.00 0.00 O ATOM 0 HA GLU A 37 14.966 1.614 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.860 3.508 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.830 4.011 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.669 1.652 9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.321 3.277 9.427 1.00 0.00 H new ATOM 539 N MET A 38 14.271 2.704 6.112 1.00 0.00 N ATOM 540 CA MET A 38 13.220 3.270 5.274 1.00 0.00 C ATOM 541 C MET A 38 12.140 2.232 4.981 1.00 0.00 C ATOM 542 O MET A 38 10.955 2.557 4.920 1.00 0.00 O ATOM 543 CB MET A 38 13.809 3.793 3.963 1.00 0.00 C ATOM 544 CG MET A 38 14.523 2.726 3.149 1.00 0.00 C ATOM 545 SD MET A 38 14.581 3.117 1.390 1.00 0.00 S ATOM 546 CE MET A 38 14.882 4.882 1.445 1.00 0.00 C ATOM 0 H MET A 38 15.064 2.324 5.595 1.00 0.00 H new ATOM 0 HA MET A 38 12.765 4.099 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.009 4.223 3.361 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.509 4.598 4.185 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.539 2.608 3.525 1.00 0.00 H new ATOM 0 HG3 MET A 38 14.018 1.770 3.288 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.290 5.211 0.489 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.946 5.405 1.639 1.00 0.00 H new ATOM 0 HE3 MET A 38 15.594 5.105 2.240 1.00 0.00 H new ATOM 556 N ARG A 39 12.559 0.984 4.801 1.00 0.00 N ATOM 557 CA ARG A 39 11.628 -0.100 4.514 1.00 0.00 C ATOM 558 C ARG A 39 10.826 -0.473 5.757 1.00 0.00 C ATOM 559 O ARG A 39 9.717 -0.996 5.659 1.00 0.00 O ATOM 560 CB ARG A 39 12.383 -1.326 3.995 1.00 0.00 C ATOM 561 CG ARG A 39 13.443 -1.839 4.955 1.00 0.00 C ATOM 562 CD ARG A 39 12.872 -2.871 5.915 1.00 0.00 C ATOM 563 NE ARG A 39 12.315 -4.024 5.212 1.00 0.00 N ATOM 564 CZ ARG A 39 13.057 -4.956 4.625 1.00 0.00 C ATOM 565 NH1 ARG A 39 14.380 -4.872 4.658 1.00 0.00 N ATOM 566 NH2 ARG A 39 12.476 -5.975 4.005 1.00 0.00 N ATOM 0 H ARG A 39 13.537 0.699 4.849 1.00 0.00 H new ATOM 0 HA ARG A 39 10.936 0.245 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.669 -2.125 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.855 -1.076 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.264 -2.281 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.858 -1.005 5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.655 -3.205 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.096 -2.409 6.525 1.00 0.00 H new ATOM 0 HE ARG A 39 11.300 -4.118 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.830 -4.090 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.948 -5.589 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.459 -6.043 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.047 -6.690 3.554 1.00 0.00 H new ATOM 580 N ASN A 40 11.396 -0.199 6.926 1.00 0.00 N ATOM 581 CA ASN A 40 10.735 -0.506 8.190 1.00 0.00 C ATOM 582 C ASN A 40 9.739 0.588 8.562 1.00 0.00 C ATOM 583 O ASN A 40 8.761 0.338 9.268 1.00 0.00 O ATOM 584 CB ASN A 40 11.770 -0.670 9.304 1.00 0.00 C ATOM 585 CG ASN A 40 12.322 -2.081 9.377 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.632 -3.047 9.050 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.572 -2.205 9.808 1.00 0.00 N ATOM 0 H ASN A 40 12.314 0.235 7.025 1.00 0.00 H new ATOM 0 HA ASN A 40 10.191 -1.443 8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.590 0.030 9.141 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.315 -0.411 10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.998 -3.129 9.879 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.106 -1.376 10.068 1.00 0.00 H new ATOM 594 N SER A 41 9.994 1.802 8.083 1.00 0.00 N ATOM 595 CA SER A 41 9.123 2.935 8.369 1.00 0.00 C ATOM 596 C SER A 41 7.998 3.028 7.342 1.00 0.00 C ATOM 597 O SER A 41 6.863 3.369 7.677 1.00 0.00 O ATOM 598 CB SER A 41 9.928 4.236 8.378 1.00 0.00 C ATOM 599 OG SER A 41 10.622 4.397 9.603 1.00 0.00 O ATOM 0 H SER A 41 10.797 2.025 7.495 1.00 0.00 H new ATOM 0 HA SER A 41 8.682 2.782 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.638 4.234 7.551 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.259 5.082 8.221 1.00 0.00 H new ATOM 0 HG SER A 41 11.130 5.235 9.583 1.00 0.00 H new ATOM 605 N ILE A 42 8.322 2.722 6.090 1.00 0.00 N ATOM 606 CA ILE A 42 7.340 2.769 5.014 1.00 0.00 C ATOM 607 C ILE A 42 6.354 1.611 5.118 1.00 0.00 C ATOM 608 O ILE A 42 5.200 1.725 4.703 1.00 0.00 O ATOM 609 CB ILE A 42 8.018 2.728 3.631 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.931 3.943 3.451 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.970 2.679 2.529 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.117 3.678 2.549 1.00 0.00 C ATOM 0 H ILE A 42 9.257 2.439 5.796 1.00 0.00 H new ATOM 0 HA ILE A 42 6.802 3.711 5.119 1.00 0.00 H new ATOM 0 HB ILE A 42 8.627 1.826 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.349 4.767 3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.292 4.264 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.464 2.650 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.356 1.787 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.338 3.565 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.721 4.582 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.722 2.875 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.764 3.386 1.560 1.00 0.00 H new ATOM 624 N LEU A 43 6.814 0.498 5.677 1.00 0.00 N ATOM 625 CA LEU A 43 5.972 -0.682 5.839 1.00 0.00 C ATOM 626 C LEU A 43 5.049 -0.532 7.044 1.00 0.00 C ATOM 627 O LEU A 43 3.933 -1.050 7.052 1.00 0.00 O ATOM 628 CB LEU A 43 6.838 -1.933 5.998 1.00 0.00 C ATOM 629 CG LEU A 43 7.413 -2.520 4.708 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.463 -3.574 5.023 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.303 -3.111 3.850 1.00 0.00 C ATOM 0 H LEU A 43 7.766 0.387 6.026 1.00 0.00 H new ATOM 0 HA LEU A 43 5.357 -0.784 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.666 -1.695 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.243 -2.702 6.490 1.00 0.00 H new ATOM 0 HG LEU A 43 7.891 -1.717 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.861 -3.980 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.272 -3.122 5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.010 -4.376 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.730 -3.524 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.797 -3.902 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.586 -2.331 3.595 1.00 0.00 H new ATOM 643 N ALA A 44 5.523 0.183 8.060 1.00 0.00 N ATOM 644 CA ALA A 44 4.739 0.406 9.268 1.00 0.00 C ATOM 645 C ALA A 44 3.622 1.413 9.020 1.00 0.00 C ATOM 646 O ALA A 44 2.530 1.290 9.574 1.00 0.00 O ATOM 647 CB ALA A 44 5.639 0.880 10.400 1.00 0.00 C ATOM 0 H ALA A 44 6.446 0.617 8.070 1.00 0.00 H new ATOM 0 HA ALA A 44 4.281 -0.541 9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.041 1.043 11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.398 0.124 10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.124 1.813 10.113 1.00 0.00 H new ATOM 653 N GLN A 45 3.904 2.409 8.186 1.00 0.00 N ATOM 654 CA GLN A 45 2.922 3.438 7.866 1.00 0.00 C ATOM 655 C GLN A 45 1.811 2.876 6.985 1.00 0.00 C ATOM 656 O GLN A 45 0.648 3.260 7.112 1.00 0.00 O ATOM 657 CB GLN A 45 3.598 4.618 7.165 1.00 0.00 C ATOM 658 CG GLN A 45 4.222 4.254 5.828 1.00 0.00 C ATOM 659 CD GLN A 45 4.838 5.449 5.127 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.459 6.303 5.761 1.00 0.00 O ATOM 661 NE2 GLN A 45 4.670 5.516 3.812 1.00 0.00 N ATOM 0 H GLN A 45 4.804 2.525 7.720 1.00 0.00 H new ATOM 0 HA GLN A 45 2.479 3.785 8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.863 5.408 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.370 5.024 7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.988 3.494 5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.461 3.812 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.148 4.786 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.063 6.297 3.287 1.00 0.00 H new ATOM 670 N VAL A 46 2.177 1.964 6.090 1.00 0.00 N ATOM 671 CA VAL A 46 1.211 1.348 5.187 1.00 0.00 C ATOM 672 C VAL A 46 0.482 0.195 5.867 1.00 0.00 C ATOM 673 O VAL A 46 -0.552 -0.270 5.386 1.00 0.00 O ATOM 674 CB VAL A 46 1.892 0.828 3.907 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.584 1.965 3.171 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.879 -0.280 4.242 1.00 0.00 C ATOM 0 H VAL A 46 3.135 1.635 5.971 1.00 0.00 H new ATOM 0 HA VAL A 46 0.491 2.121 4.918 1.00 0.00 H new ATOM 0 HB VAL A 46 1.126 0.415 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.059 1.579 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.849 2.722 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.340 2.410 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.351 -0.636 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.643 0.105 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.352 -1.104 4.722 1.00 0.00 H new ATOM 686 N LEU A 47 1.027 -0.264 6.988 1.00 0.00 N ATOM 687 CA LEU A 47 0.428 -1.364 7.735 1.00 0.00 C ATOM 688 C LEU A 47 -0.042 -0.897 9.109 1.00 0.00 C ATOM 689 O LEU A 47 0.754 -0.429 9.923 1.00 0.00 O ATOM 690 CB LEU A 47 1.432 -2.509 7.889 1.00 0.00 C ATOM 691 CG LEU A 47 1.713 -3.329 6.630 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.547 -4.555 6.967 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.410 -3.737 5.958 1.00 0.00 C ATOM 0 H LEU A 47 1.883 0.109 7.400 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.438 -1.720 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.375 -2.094 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.067 -3.183 8.664 1.00 0.00 H new ATOM 0 HG LEU A 47 2.279 -2.709 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.737 -5.127 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.495 -4.241 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.007 -5.177 7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.629 -4.320 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.182 -4.339 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.152 -2.845 5.681 1.00 0.00 H new ATOM 705 N ASP A 48 -1.340 -1.029 9.361 1.00 0.00 N ATOM 706 CA ASP A 48 -1.916 -0.623 10.637 1.00 0.00 C ATOM 707 C ASP A 48 -1.478 -1.564 11.755 1.00 0.00 C ATOM 708 O ASP A 48 -0.972 -2.656 11.497 1.00 0.00 O ATOM 709 CB ASP A 48 -3.443 -0.595 10.546 1.00 0.00 C ATOM 710 CG ASP A 48 -4.077 0.175 11.688 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.564 1.261 12.029 1.00 0.00 O ATOM 712 OD2 ASP A 48 -5.087 -0.309 12.240 1.00 0.00 O ATOM 0 H ASP A 48 -2.013 -1.414 8.698 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.555 0.379 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.739 -0.144 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.823 -1.617 10.545 1.00 0.00 H new ATOM 717 N GLN A 49 -1.675 -1.133 12.996 1.00 0.00 N ATOM 718 CA GLN A 49 -1.299 -1.937 14.153 1.00 0.00 C ATOM 719 C GLN A 49 -1.767 -3.379 13.989 1.00 0.00 C ATOM 720 O GLN A 49 -0.967 -4.312 14.050 1.00 0.00 O ATOM 721 CB GLN A 49 -1.889 -1.338 15.431 1.00 0.00 C ATOM 722 CG GLN A 49 -1.121 -1.710 16.689 1.00 0.00 C ATOM 723 CD GLN A 49 0.213 -0.997 16.790 1.00 0.00 C ATOM 724 OE1 GLN A 49 0.616 -0.277 15.876 1.00 0.00 O ATOM 725 NE2 GLN A 49 0.907 -1.194 17.905 1.00 0.00 N ATOM 0 H GLN A 49 -2.093 -0.232 13.227 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.212 -1.934 14.228 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.911 -0.252 15.337 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.922 -1.670 15.535 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.725 -1.469 17.564 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.955 -2.787 16.704 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.535 -1.799 18.637 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.812 -0.740 18.029 1.00 0.00 H new ATOM 734 N SER A 50 -3.068 -3.553 13.782 1.00 0.00 N ATOM 735 CA SER A 50 -3.644 -4.883 13.614 1.00 0.00 C ATOM 736 C SER A 50 -2.798 -5.725 12.663 1.00 0.00 C ATOM 737 O SER A 50 -2.437 -6.859 12.976 1.00 0.00 O ATOM 738 CB SER A 50 -5.075 -4.778 13.084 1.00 0.00 C ATOM 739 OG SER A 50 -5.938 -4.212 14.055 1.00 0.00 O ATOM 0 H SER A 50 -3.743 -2.791 13.727 1.00 0.00 H new ATOM 0 HA SER A 50 -3.659 -5.372 14.588 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.088 -4.167 12.181 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.436 -5.768 12.805 1.00 0.00 H new ATOM 0 HG SER A 50 -6.846 -4.154 13.691 1.00 0.00 H new ATOM 745 N ALA A 51 -2.486 -5.160 11.502 1.00 0.00 N ATOM 746 CA ALA A 51 -1.681 -5.856 10.506 1.00 0.00 C ATOM 747 C ALA A 51 -0.282 -6.149 11.037 1.00 0.00 C ATOM 748 O ALA A 51 0.185 -7.287 10.990 1.00 0.00 O ATOM 749 CB ALA A 51 -1.601 -5.038 9.225 1.00 0.00 C ATOM 0 H ALA A 51 -2.778 -4.222 11.228 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.164 -6.808 10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.997 -5.570 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.604 -4.885 8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.145 -4.071 9.438 1.00 0.00 H new ATOM 755 N ARG A 52 0.382 -5.114 11.542 1.00 0.00 N ATOM 756 CA ARG A 52 1.729 -5.260 12.080 1.00 0.00 C ATOM 757 C ARG A 52 1.877 -6.584 12.824 1.00 0.00 C ATOM 758 O ARG A 52 2.809 -7.348 12.573 1.00 0.00 O ATOM 759 CB ARG A 52 2.056 -4.097 13.018 1.00 0.00 C ATOM 760 CG ARG A 52 2.246 -2.771 12.301 1.00 0.00 C ATOM 761 CD ARG A 52 3.575 -2.721 11.564 1.00 0.00 C ATOM 762 NE ARG A 52 4.708 -2.660 12.483 1.00 0.00 N ATOM 763 CZ ARG A 52 5.334 -3.734 12.951 1.00 0.00 C ATOM 764 NH1 ARG A 52 4.939 -4.947 12.587 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.358 -3.597 13.784 1.00 0.00 N ATOM 0 H ARG A 52 0.009 -4.166 11.590 1.00 0.00 H new ATOM 0 HA ARG A 52 2.429 -5.252 11.245 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.253 -3.994 13.748 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.964 -4.333 13.573 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.431 -2.619 11.594 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.198 -1.956 13.023 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.671 -3.601 10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.593 -1.851 10.908 1.00 0.00 H new ATOM 0 HE ARG A 52 5.037 -1.742 12.782 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.153 -5.057 11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.421 -5.770 12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.665 -2.666 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.838 -4.423 14.143 1.00 0.00 H new ATOM 779 N ALA A 53 0.951 -6.848 13.741 1.00 0.00 N ATOM 780 CA ALA A 53 0.977 -8.080 14.520 1.00 0.00 C ATOM 781 C ALA A 53 0.878 -9.304 13.616 1.00 0.00 C ATOM 782 O ALA A 53 1.602 -10.283 13.798 1.00 0.00 O ATOM 783 CB ALA A 53 -0.151 -8.083 15.541 1.00 0.00 C ATOM 0 H ALA A 53 0.174 -6.225 13.962 1.00 0.00 H new ATOM 0 HA ALA A 53 1.930 -8.127 15.047 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.119 -9.009 16.115 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.034 -7.234 16.214 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.109 -8.008 15.026 1.00 0.00 H new ATOM 789 N ARG A 54 -0.023 -9.242 12.641 1.00 0.00 N ATOM 790 CA ARG A 54 -0.218 -10.347 11.709 1.00 0.00 C ATOM 791 C ARG A 54 1.059 -10.626 10.922 1.00 0.00 C ATOM 792 O ARG A 54 1.541 -11.759 10.880 1.00 0.00 O ATOM 793 CB ARG A 54 -1.365 -10.034 10.746 1.00 0.00 C ATOM 794 CG ARG A 54 -2.732 -10.429 11.279 1.00 0.00 C ATOM 795 CD ARG A 54 -3.064 -11.875 10.946 1.00 0.00 C ATOM 796 NE ARG A 54 -4.397 -12.251 11.407 1.00 0.00 N ATOM 797 CZ ARG A 54 -4.862 -13.495 11.375 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.105 -14.477 10.906 1.00 0.00 N ATOM 799 NH2 ARG A 54 -6.087 -13.758 11.812 1.00 0.00 N ATOM 0 H ARG A 54 -0.629 -8.439 12.476 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.470 -11.236 12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.364 -8.966 10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.188 -10.552 9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.757 -10.289 12.360 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.492 -9.773 10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.998 -12.023 9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.324 -12.531 11.404 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.005 -11.518 11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.163 -14.278 10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.464 -15.431 10.883 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.672 -13.005 12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.443 -14.713 11.787 1.00 0.00 H new ATOM 813 N LEU A 55 1.604 -9.586 10.299 1.00 0.00 N ATOM 814 CA LEU A 55 2.825 -9.719 9.513 1.00 0.00 C ATOM 815 C LEU A 55 3.901 -10.461 10.299 1.00 0.00 C ATOM 816 O LEU A 55 4.453 -11.456 9.828 1.00 0.00 O ATOM 817 CB LEU A 55 3.340 -8.340 9.098 1.00 0.00 C ATOM 818 CG LEU A 55 4.700 -8.314 8.399 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.546 -8.632 6.920 1.00 0.00 C ATOM 820 CD2 LEU A 55 5.371 -6.961 8.588 1.00 0.00 C ATOM 0 H LEU A 55 1.219 -8.642 10.323 1.00 0.00 H new ATOM 0 HA LEU A 55 2.591 -10.297 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.605 -7.884 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.399 -7.713 9.988 1.00 0.00 H new ATOM 0 HG LEU A 55 5.333 -9.078 8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.524 -8.609 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.108 -9.624 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.895 -7.892 6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.338 -6.961 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.740 -6.180 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.516 -6.772 9.652 1.00 0.00 H new ATOM 832 N SER A 56 4.192 -9.972 11.500 1.00 0.00 N ATOM 833 CA SER A 56 5.203 -10.588 12.352 1.00 0.00 C ATOM 834 C SER A 56 4.933 -12.080 12.524 1.00 0.00 C ATOM 835 O SER A 56 5.836 -12.904 12.395 1.00 0.00 O ATOM 836 CB SER A 56 5.235 -9.903 13.719 1.00 0.00 C ATOM 837 OG SER A 56 5.789 -8.602 13.624 1.00 0.00 O ATOM 0 H SER A 56 3.742 -9.151 11.905 1.00 0.00 H new ATOM 0 HA SER A 56 6.173 -10.465 11.870 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.224 -9.843 14.123 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.822 -10.502 14.416 1.00 0.00 H new ATOM 0 HG SER A 56 5.797 -8.184 14.510 1.00 0.00 H new ATOM 843 N ASN A 57 3.681 -12.418 12.817 1.00 0.00 N ATOM 844 CA ASN A 57 3.290 -13.810 13.008 1.00 0.00 C ATOM 845 C ASN A 57 3.750 -14.670 11.835 1.00 0.00 C ATOM 846 O ASN A 57 4.139 -15.825 12.012 1.00 0.00 O ATOM 847 CB ASN A 57 1.773 -13.918 13.170 1.00 0.00 C ATOM 848 CG ASN A 57 1.335 -13.787 14.617 1.00 0.00 C ATOM 849 OD1 ASN A 57 1.570 -14.681 15.431 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.695 -12.671 14.943 1.00 0.00 N ATOM 0 H ASN A 57 2.920 -11.747 12.927 1.00 0.00 H new ATOM 0 HA ASN A 57 3.772 -14.176 13.915 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.291 -13.142 12.576 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.436 -14.877 12.776 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.376 -12.527 15.901 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.522 -11.957 14.235 1.00 0.00 H new ATOM 857 N LEU A 58 3.702 -14.099 10.636 1.00 0.00 N ATOM 858 CA LEU A 58 4.114 -14.813 9.432 1.00 0.00 C ATOM 859 C LEU A 58 5.633 -14.934 9.364 1.00 0.00 C ATOM 860 O LEU A 58 6.165 -15.860 8.752 1.00 0.00 O ATOM 861 CB LEU A 58 3.592 -14.095 8.186 1.00 0.00 C ATOM 862 CG LEU A 58 3.464 -14.949 6.924 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.254 -15.866 7.020 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.369 -14.065 5.690 1.00 0.00 C ATOM 0 H LEU A 58 3.382 -13.144 10.472 1.00 0.00 H new ATOM 0 HA LEU A 58 3.689 -15.816 9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.613 -13.674 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.256 -13.258 7.969 1.00 0.00 H new ATOM 0 HG LEU A 58 4.357 -15.568 6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.179 -16.466 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.364 -16.524 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.351 -15.266 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.278 -14.689 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.494 -13.420 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.266 -13.451 5.612 1.00 0.00 H new ATOM 876 N ALA A 59 6.326 -13.994 9.999 1.00 0.00 N ATOM 877 CA ALA A 59 7.783 -13.998 10.014 1.00 0.00 C ATOM 878 C ALA A 59 8.321 -15.172 10.826 1.00 0.00 C ATOM 879 O ALA A 59 9.532 -15.381 10.908 1.00 0.00 O ATOM 880 CB ALA A 59 8.309 -12.684 10.572 1.00 0.00 C ATOM 0 H ALA A 59 5.901 -13.220 10.510 1.00 0.00 H new ATOM 0 HA ALA A 59 8.131 -14.110 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.399 -12.701 10.577 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.962 -11.859 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.943 -12.549 11.590 1.00 0.00 H new ATOM 886 N LEU A 60 7.414 -15.936 11.424 1.00 0.00 N ATOM 887 CA LEU A 60 7.797 -17.090 12.231 1.00 0.00 C ATOM 888 C LEU A 60 7.488 -18.392 11.499 1.00 0.00 C ATOM 889 O LEU A 60 8.396 -19.116 11.089 1.00 0.00 O ATOM 890 CB LEU A 60 7.068 -17.061 13.575 1.00 0.00 C ATOM 891 CG LEU A 60 7.373 -15.867 14.479 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.330 -15.750 15.580 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.768 -15.992 15.075 1.00 0.00 C ATOM 0 H LEU A 60 6.408 -15.778 11.366 1.00 0.00 H new ATOM 0 HA LEU A 60 8.872 -17.040 12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.995 -17.082 13.384 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.313 -17.974 14.118 1.00 0.00 H new ATOM 0 HG LEU A 60 7.337 -14.960 13.875 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.564 -14.894 16.213 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.345 -15.613 15.135 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.333 -16.659 16.182 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.968 -15.133 15.716 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.831 -16.907 15.664 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.505 -16.025 14.272 1.00 0.00 H new ATOM 905 N VAL A 61 6.201 -18.683 11.337 1.00 0.00 N ATOM 906 CA VAL A 61 5.773 -19.897 10.652 1.00 0.00 C ATOM 907 C VAL A 61 6.458 -20.034 9.297 1.00 0.00 C ATOM 908 O VAL A 61 6.764 -21.141 8.852 1.00 0.00 O ATOM 909 CB VAL A 61 4.246 -19.916 10.447 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.780 -18.629 9.785 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.835 -21.128 9.625 1.00 0.00 C ATOM 0 H VAL A 61 5.437 -18.095 11.671 1.00 0.00 H new ATOM 0 HA VAL A 61 6.058 -20.736 11.286 1.00 0.00 H new ATOM 0 HB VAL A 61 3.766 -19.988 11.423 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.699 -18.661 9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.041 -17.780 10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.265 -18.522 8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.753 -21.126 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.323 -21.089 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.134 -22.038 10.145 1.00 0.00 H new ATOM 921 N LYS A 62 6.697 -18.902 8.644 1.00 0.00 N ATOM 922 CA LYS A 62 7.348 -18.893 7.339 1.00 0.00 C ATOM 923 C LYS A 62 7.727 -17.474 6.929 1.00 0.00 C ATOM 924 O LYS A 62 6.882 -16.669 6.538 1.00 0.00 O ATOM 925 CB LYS A 62 6.429 -19.513 6.284 1.00 0.00 C ATOM 926 CG LYS A 62 4.962 -19.170 6.478 1.00 0.00 C ATOM 927 CD LYS A 62 4.187 -19.277 5.175 1.00 0.00 C ATOM 928 CE LYS A 62 2.711 -19.541 5.426 1.00 0.00 C ATOM 929 NZ LYS A 62 2.484 -20.873 6.053 1.00 0.00 N ATOM 0 H LYS A 62 6.449 -17.978 8.997 1.00 0.00 H new ATOM 0 HA LYS A 62 8.260 -19.486 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.745 -19.177 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.546 -20.597 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.525 -19.841 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.873 -18.158 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.301 -18.355 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.603 -20.080 4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.308 -18.762 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.167 -19.486 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.523 -21.202 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.177 -21.554 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.594 -20.794 7.084 1.00 0.00 H new ATOM 943 N PRO A 63 9.028 -17.158 7.019 1.00 0.00 N ATOM 944 CA PRO A 63 9.548 -15.835 6.659 1.00 0.00 C ATOM 945 C PRO A 63 9.488 -15.577 5.158 1.00 0.00 C ATOM 946 O PRO A 63 9.142 -14.480 4.721 1.00 0.00 O ATOM 947 CB PRO A 63 11.001 -15.884 7.136 1.00 0.00 C ATOM 948 CG PRO A 63 11.354 -17.332 7.128 1.00 0.00 C ATOM 949 CD PRO A 63 10.091 -18.068 7.477 1.00 0.00 C ATOM 0 HA PRO A 63 8.964 -15.031 7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.654 -15.314 6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.105 -15.457 8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.726 -17.638 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.142 -17.545 7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.037 -19.034 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.021 -18.261 8.548 1.00 0.00 H new ATOM 957 N GLU A 64 9.827 -16.595 4.373 1.00 0.00 N ATOM 958 CA GLU A 64 9.811 -16.477 2.920 1.00 0.00 C ATOM 959 C GLU A 64 8.565 -15.733 2.448 1.00 0.00 C ATOM 960 O GLU A 64 8.658 -14.673 1.829 1.00 0.00 O ATOM 961 CB GLU A 64 9.868 -17.862 2.272 1.00 0.00 C ATOM 962 CG GLU A 64 11.195 -18.575 2.474 1.00 0.00 C ATOM 963 CD GLU A 64 11.172 -20.004 1.968 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.689 -20.887 2.708 1.00 0.00 O ATOM 965 OE2 GLU A 64 11.637 -20.240 0.834 1.00 0.00 O ATOM 0 H GLU A 64 10.116 -17.510 4.719 1.00 0.00 H new ATOM 0 HA GLU A 64 10.690 -15.907 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.068 -18.479 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.678 -17.762 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.982 -18.024 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.447 -18.573 3.535 1.00 0.00 H new ATOM 972 N LYS A 65 7.399 -16.297 2.744 1.00 0.00 N ATOM 973 CA LYS A 65 6.133 -15.689 2.352 1.00 0.00 C ATOM 974 C LYS A 65 6.059 -14.238 2.817 1.00 0.00 C ATOM 975 O LYS A 65 5.539 -13.374 2.109 1.00 0.00 O ATOM 976 CB LYS A 65 4.961 -16.483 2.934 1.00 0.00 C ATOM 977 CG LYS A 65 3.600 -15.941 2.530 1.00 0.00 C ATOM 978 CD LYS A 65 2.549 -17.038 2.508 1.00 0.00 C ATOM 979 CE LYS A 65 2.603 -17.836 1.214 1.00 0.00 C ATOM 980 NZ LYS A 65 3.689 -18.854 1.236 1.00 0.00 N ATOM 0 H LYS A 65 7.304 -17.175 3.255 1.00 0.00 H new ATOM 0 HA LYS A 65 6.071 -15.707 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.040 -17.521 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.036 -16.481 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.297 -15.159 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.668 -15.481 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.701 -17.706 3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.559 -16.597 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.645 -18.330 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.758 -17.158 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.423 -19.659 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.569 -18.431 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.835 -19.185 2.211 1.00 0.00 H new ATOM 994 N THR A 66 6.584 -13.976 4.010 1.00 0.00 N ATOM 995 CA THR A 66 6.577 -12.630 4.569 1.00 0.00 C ATOM 996 C THR A 66 7.540 -11.718 3.817 1.00 0.00 C ATOM 997 O THR A 66 7.309 -10.515 3.700 1.00 0.00 O ATOM 998 CB THR A 66 6.957 -12.640 6.061 1.00 0.00 C ATOM 999 OG1 THR A 66 6.166 -13.606 6.762 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.753 -11.265 6.680 1.00 0.00 C ATOM 0 H THR A 66 7.019 -14.679 4.608 1.00 0.00 H new ATOM 0 HA THR A 66 5.561 -12.248 4.463 1.00 0.00 H new ATOM 0 HB THR A 66 8.011 -12.906 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.516 -14.504 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.028 -11.296 7.734 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.378 -10.537 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.706 -10.975 6.586 1.00 0.00 H new ATOM 1008 N LYS A 67 8.622 -12.299 3.308 1.00 0.00 N ATOM 1009 CA LYS A 67 9.621 -11.539 2.565 1.00 0.00 C ATOM 1010 C LYS A 67 8.998 -10.870 1.344 1.00 0.00 C ATOM 1011 O LYS A 67 9.190 -9.677 1.113 1.00 0.00 O ATOM 1012 CB LYS A 67 10.767 -12.454 2.129 1.00 0.00 C ATOM 1013 CG LYS A 67 11.896 -11.722 1.425 1.00 0.00 C ATOM 1014 CD LYS A 67 13.220 -12.449 1.589 1.00 0.00 C ATOM 1015 CE LYS A 67 13.891 -12.097 2.907 1.00 0.00 C ATOM 1016 NZ LYS A 67 15.294 -12.591 2.965 1.00 0.00 N ATOM 0 H LYS A 67 8.829 -13.294 3.397 1.00 0.00 H new ATOM 0 HA LYS A 67 10.014 -10.763 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.167 -12.964 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.374 -13.223 1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.662 -11.625 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.982 -10.712 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.054 -13.525 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.882 -12.191 0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.881 -11.015 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.321 -12.526 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.716 -12.331 3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.302 -13.626 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.845 -12.162 2.195 1.00 0.00 H new ATOM 1030 N ALA A 68 8.250 -11.646 0.567 1.00 0.00 N ATOM 1031 CA ALA A 68 7.596 -11.127 -0.628 1.00 0.00 C ATOM 1032 C ALA A 68 6.657 -9.977 -0.284 1.00 0.00 C ATOM 1033 O ALA A 68 6.835 -8.854 -0.756 1.00 0.00 O ATOM 1034 CB ALA A 68 6.836 -12.238 -1.338 1.00 0.00 C ATOM 0 H ALA A 68 8.082 -12.636 0.744 1.00 0.00 H new ATOM 0 HA ALA A 68 8.367 -10.744 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.352 -11.836 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.530 -13.027 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.080 -12.647 -0.668 1.00 0.00 H new ATOM 1040 N VAL A 69 5.655 -10.263 0.541 1.00 0.00 N ATOM 1041 CA VAL A 69 4.687 -9.252 0.948 1.00 0.00 C ATOM 1042 C VAL A 69 5.376 -7.932 1.275 1.00 0.00 C ATOM 1043 O VAL A 69 5.056 -6.894 0.697 1.00 0.00 O ATOM 1044 CB VAL A 69 3.876 -9.712 2.175 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.965 -8.597 2.662 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.074 -10.962 1.844 1.00 0.00 C ATOM 0 H VAL A 69 5.492 -11.187 0.941 1.00 0.00 H new ATOM 0 HA VAL A 69 4.009 -9.107 0.107 1.00 0.00 H new ATOM 0 HB VAL A 69 4.571 -9.956 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.401 -8.941 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.566 -7.731 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.274 -8.318 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.507 -11.273 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.387 -10.747 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.753 -11.762 1.548 1.00 0.00 H new ATOM 1056 N GLU A 70 6.324 -7.980 2.206 1.00 0.00 N ATOM 1057 CA GLU A 70 7.059 -6.787 2.609 1.00 0.00 C ATOM 1058 C GLU A 70 7.518 -5.992 1.390 1.00 0.00 C ATOM 1059 O GLU A 70 7.271 -4.791 1.290 1.00 0.00 O ATOM 1060 CB GLU A 70 8.266 -7.170 3.467 1.00 0.00 C ATOM 1061 CG GLU A 70 7.952 -7.272 4.950 1.00 0.00 C ATOM 1062 CD GLU A 70 9.199 -7.268 5.813 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.901 -8.301 5.844 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.473 -6.234 6.456 1.00 0.00 O ATOM 0 H GLU A 70 6.601 -8.831 2.695 1.00 0.00 H new ATOM 0 HA GLU A 70 6.389 -6.160 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.658 -8.126 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.054 -6.431 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.312 -6.439 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.389 -8.187 5.136 1.00 0.00 H new ATOM 1071 N ASN A 71 8.189 -6.672 0.467 1.00 0.00 N ATOM 1072 CA ASN A 71 8.685 -6.031 -0.746 1.00 0.00 C ATOM 1073 C ASN A 71 7.535 -5.682 -1.686 1.00 0.00 C ATOM 1074 O ASN A 71 7.676 -4.834 -2.568 1.00 0.00 O ATOM 1075 CB ASN A 71 9.683 -6.945 -1.460 1.00 0.00 C ATOM 1076 CG ASN A 71 11.090 -6.802 -0.914 1.00 0.00 C ATOM 1077 OD1 ASN A 71 11.647 -5.705 -0.881 1.00 0.00 O ATOM 1078 ND2 ASN A 71 11.673 -7.915 -0.484 1.00 0.00 N ATOM 0 H ASN A 71 8.402 -7.667 0.535 1.00 0.00 H new ATOM 0 HA ASN A 71 9.189 -5.108 -0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.360 -7.981 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.684 -6.715 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.620 -7.882 -0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.173 -8.803 -0.530 1.00 0.00 H new ATOM 1085 N TYR A 72 6.398 -6.340 -1.490 1.00 0.00 N ATOM 1086 CA TYR A 72 5.224 -6.101 -2.321 1.00 0.00 C ATOM 1087 C TYR A 72 4.519 -4.811 -1.911 1.00 0.00 C ATOM 1088 O TYR A 72 3.984 -4.087 -2.751 1.00 0.00 O ATOM 1089 CB TYR A 72 4.253 -7.279 -2.220 1.00 0.00 C ATOM 1090 CG TYR A 72 2.930 -7.034 -2.910 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.881 -6.533 -4.205 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.729 -7.305 -2.266 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.675 -6.307 -4.838 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.517 -7.084 -2.893 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.495 -6.585 -4.178 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.709 -6.363 -4.806 1.00 0.00 O ATOM 0 H TYR A 72 6.264 -7.043 -0.763 1.00 0.00 H new ATOM 0 HA TYR A 72 5.557 -6.000 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.721 -8.163 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.070 -7.499 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.802 -6.317 -4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.743 -7.695 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.655 -5.915 -5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.408 -7.301 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.948 -5.416 -4.729 1.00 0.00 H new ATOM 1106 N LEU A 73 4.524 -4.529 -0.612 1.00 0.00 N ATOM 1107 CA LEU A 73 3.887 -3.326 -0.088 1.00 0.00 C ATOM 1108 C LEU A 73 4.708 -2.085 -0.423 1.00 0.00 C ATOM 1109 O LEU A 73 4.172 -1.085 -0.902 1.00 0.00 O ATOM 1110 CB LEU A 73 3.708 -3.439 1.427 1.00 0.00 C ATOM 1111 CG LEU A 73 2.544 -4.311 1.902 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.483 -4.338 3.421 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.230 -3.809 1.322 1.00 0.00 C ATOM 0 H LEU A 73 4.962 -5.117 0.097 1.00 0.00 H new ATOM 0 HA LEU A 73 2.908 -3.229 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.630 -3.835 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.574 -2.436 1.833 1.00 0.00 H new ATOM 0 HG LEU A 73 2.709 -5.328 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.649 -4.963 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.414 -4.746 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.342 -3.325 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.413 -4.441 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.058 -2.783 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.276 -3.843 0.234 1.00 0.00 H new ATOM 1125 N ILE A 74 6.010 -2.157 -0.170 1.00 0.00 N ATOM 1126 CA ILE A 74 6.905 -1.041 -0.449 1.00 0.00 C ATOM 1127 C ILE A 74 6.667 -0.481 -1.847 1.00 0.00 C ATOM 1128 O ILE A 74 6.412 0.712 -2.012 1.00 0.00 O ATOM 1129 CB ILE A 74 8.382 -1.458 -0.319 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.691 -1.882 1.118 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.293 -0.317 -0.748 1.00 0.00 C ATOM 1132 CD1 ILE A 74 10.108 -2.376 1.310 1.00 0.00 C ATOM 0 H ILE A 74 6.469 -2.977 0.228 1.00 0.00 H new ATOM 0 HA ILE A 74 6.687 -0.270 0.290 1.00 0.00 H new ATOM 0 HB ILE A 74 8.563 -2.309 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.516 -1.037 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.997 -2.669 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.334 -0.626 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.087 -0.058 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.112 0.551 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.256 -2.659 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.281 -3.241 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.808 -1.584 1.046 1.00 0.00 H new ATOM 1144 N GLN A 75 6.750 -1.350 -2.849 1.00 0.00 N ATOM 1145 CA GLN A 75 6.542 -0.941 -4.233 1.00 0.00 C ATOM 1146 C GLN A 75 5.225 -0.188 -4.386 1.00 0.00 C ATOM 1147 O GLN A 75 5.181 0.890 -4.979 1.00 0.00 O ATOM 1148 CB GLN A 75 6.555 -2.162 -5.154 1.00 0.00 C ATOM 1149 CG GLN A 75 7.813 -3.006 -5.029 1.00 0.00 C ATOM 1150 CD GLN A 75 8.919 -2.546 -5.958 1.00 0.00 C ATOM 1151 OE1 GLN A 75 8.679 -1.795 -6.904 1.00 0.00 O ATOM 1152 NE2 GLN A 75 10.140 -2.996 -5.693 1.00 0.00 N ATOM 0 H GLN A 75 6.960 -2.341 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 75 7.356 -0.273 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.687 -2.783 -4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.452 -1.829 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.170 -2.969 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.571 -4.046 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.293 -3.617 -4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.924 -2.721 -6.284 1.00 0.00 H new ATOM 1161 N MET A 76 4.154 -0.762 -3.847 1.00 0.00 N ATOM 1162 CA MET A 76 2.836 -0.143 -3.924 1.00 0.00 C ATOM 1163 C MET A 76 2.826 1.205 -3.209 1.00 0.00 C ATOM 1164 O MET A 76 2.173 2.148 -3.654 1.00 0.00 O ATOM 1165 CB MET A 76 1.779 -1.065 -3.312 1.00 0.00 C ATOM 1166 CG MET A 76 1.419 -2.247 -4.198 1.00 0.00 C ATOM 1167 SD MET A 76 -0.219 -2.911 -3.838 1.00 0.00 S ATOM 1168 CE MET A 76 -0.117 -3.117 -2.061 1.00 0.00 C ATOM 0 H MET A 76 4.173 -1.654 -3.353 1.00 0.00 H new ATOM 0 HA MET A 76 2.600 0.021 -4.975 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.143 -1.437 -2.354 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.878 -0.487 -3.108 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.460 -1.939 -5.243 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.162 -3.033 -4.068 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.090 -3.420 -1.673 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.622 -3.883 -1.825 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.179 -2.174 -1.602 1.00 0.00 H new ATOM 1178 N ALA A 77 3.553 1.287 -2.100 1.00 0.00 N ATOM 1179 CA ALA A 77 3.628 2.520 -1.326 1.00 0.00 C ATOM 1180 C ALA A 77 4.319 3.624 -2.118 1.00 0.00 C ATOM 1181 O ALA A 77 3.811 4.742 -2.215 1.00 0.00 O ATOM 1182 CB ALA A 77 4.358 2.275 -0.013 1.00 0.00 C ATOM 0 H ALA A 77 4.098 0.515 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 77 2.611 2.846 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.407 3.204 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.822 1.523 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.369 1.922 -0.219 1.00 0.00 H new ATOM 1188 N ARG A 78 5.479 3.305 -2.683 1.00 0.00 N ATOM 1189 CA ARG A 78 6.240 4.272 -3.465 1.00 0.00 C ATOM 1190 C ARG A 78 5.373 4.887 -4.560 1.00 0.00 C ATOM 1191 O ARG A 78 5.250 6.109 -4.655 1.00 0.00 O ATOM 1192 CB ARG A 78 7.468 3.604 -4.087 1.00 0.00 C ATOM 1193 CG ARG A 78 8.486 3.129 -3.063 1.00 0.00 C ATOM 1194 CD ARG A 78 9.729 2.565 -3.734 1.00 0.00 C ATOM 1195 NE ARG A 78 10.587 3.617 -4.271 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.656 3.381 -5.024 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.995 2.136 -5.328 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.387 4.392 -5.475 1.00 0.00 N ATOM 0 H ARG A 78 5.912 2.384 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 78 6.568 5.067 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.144 2.753 -4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.949 4.308 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.766 3.959 -2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.036 2.366 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.292 1.971 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.433 1.893 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 78 10.353 4.586 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.435 1.356 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.816 1.958 -5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.129 5.351 -5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.208 4.210 -6.053 1.00 0.00 H new ATOM 1212 N TYR A 79 4.777 4.034 -5.385 1.00 0.00 N ATOM 1213 CA TYR A 79 3.925 4.493 -6.475 1.00 0.00 C ATOM 1214 C TYR A 79 2.814 5.400 -5.953 1.00 0.00 C ATOM 1215 O TYR A 79 2.645 6.525 -6.420 1.00 0.00 O ATOM 1216 CB TYR A 79 3.319 3.299 -7.215 1.00 0.00 C ATOM 1217 CG TYR A 79 4.265 2.655 -8.202 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.512 2.193 -7.800 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.911 2.506 -9.538 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.380 1.605 -8.699 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.772 1.918 -10.443 1.00 0.00 C ATOM 1222 CZ TYR A 79 6.006 1.469 -10.019 1.00 0.00 C ATOM 1223 OH TYR A 79 6.867 0.882 -10.918 1.00 0.00 O ATOM 0 H TYR A 79 4.868 3.020 -5.320 1.00 0.00 H new ATOM 0 HA TYR A 79 4.542 5.066 -7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.004 2.552 -6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.423 3.626 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.808 2.295 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.946 2.856 -9.874 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.347 1.254 -8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.481 1.810 -11.477 1.00 0.00 H new ATOM 0 HH TYR A 79 6.451 0.862 -11.805 1.00 0.00 H new ATOM 1233 N GLY A 80 2.059 4.899 -4.980 1.00 0.00 N ATOM 1234 CA GLY A 80 0.974 5.676 -4.409 1.00 0.00 C ATOM 1235 C GLY A 80 -0.375 5.008 -4.589 1.00 0.00 C ATOM 1236 O GLY A 80 -1.398 5.682 -4.704 1.00 0.00 O ATOM 0 H GLY A 80 2.179 3.970 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.161 5.829 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.953 6.661 -4.874 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.376 3.679 -4.615 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.609 2.920 -4.785 1.00 0.00 C ATOM 1242 C GLN A 81 -2.351 2.783 -3.459 1.00 0.00 C ATOM 1243 O GLN A 81 -3.541 3.088 -3.367 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.306 1.534 -5.358 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.763 1.569 -6.778 1.00 0.00 C ATOM 1246 CD GLN A 81 -0.580 0.184 -7.367 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -1.519 -0.610 -7.418 1.00 0.00 O ATOM 1248 NE2 GLN A 81 0.634 -0.112 -7.815 1.00 0.00 N ATOM 0 H GLN A 81 0.463 3.106 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.246 3.463 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.583 1.033 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.217 0.936 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.443 2.141 -7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.193 2.092 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.383 0.578 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.818 -1.029 -8.222 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.641 2.322 -2.435 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.233 2.144 -1.113 1.00 0.00 C ATOM 1259 C LEU A 82 -3.003 3.390 -0.689 1.00 0.00 C ATOM 1260 O LEU A 82 -2.412 4.433 -0.411 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.145 1.828 -0.085 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.365 0.532 -0.309 1.00 0.00 C ATOM 1263 CD1 LEU A 82 1.051 0.662 0.230 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.081 -0.641 0.344 1.00 0.00 C ATOM 0 H LEU A 82 -0.656 2.065 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.931 1.308 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.437 2.656 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.607 1.785 0.901 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.308 0.345 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.591 -0.270 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.563 1.476 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.016 0.873 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.512 -1.555 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.170 -0.462 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.075 -0.747 -0.090 1.00 0.00 H new ATOM 1276 N SER A 83 -4.326 3.273 -0.640 1.00 0.00 N ATOM 1277 CA SER A 83 -5.179 4.390 -0.251 1.00 0.00 C ATOM 1278 C SER A 83 -5.033 4.692 1.238 1.00 0.00 C ATOM 1279 O SER A 83 -4.498 5.732 1.621 1.00 0.00 O ATOM 1280 CB SER A 83 -6.641 4.082 -0.580 1.00 0.00 C ATOM 1281 OG SER A 83 -6.931 4.375 -1.935 1.00 0.00 O ATOM 0 H SER A 83 -4.831 2.416 -0.865 1.00 0.00 H new ATOM 0 HA SER A 83 -4.865 5.268 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.849 3.031 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.294 4.665 0.069 1.00 0.00 H new ATOM 0 HG SER A 83 -7.871 4.168 -2.121 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.513 3.775 2.071 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.437 3.943 3.518 1.00 0.00 C ATOM 1289 C GLU A 84 -4.583 2.847 4.149 1.00 0.00 C ATOM 1290 O GLU A 84 -4.023 2.001 3.451 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.840 3.928 4.129 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.608 2.645 3.858 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.657 2.359 4.915 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.582 3.184 5.071 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -8.554 1.311 5.586 1.00 0.00 O ATOM 0 H GLU A 84 -5.959 2.908 1.770 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.970 4.906 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.760 4.073 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.408 4.771 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.090 2.713 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.909 1.810 3.810 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.488 2.869 5.474 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.703 1.879 6.202 1.00 0.00 C ATOM 1304 C LYS A 85 -4.349 0.500 6.111 1.00 0.00 C ATOM 1305 O LYS A 85 -5.493 0.311 6.525 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.559 2.290 7.668 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.375 3.206 7.929 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.245 3.543 9.405 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.392 4.783 9.621 1.00 0.00 C ATOM 1310 NZ LYS A 85 -1.268 5.127 11.064 1.00 0.00 N ATOM 0 H LYS A 85 -4.945 3.562 6.066 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.714 1.829 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.473 2.791 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.456 1.394 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.460 2.726 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.491 4.125 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.235 3.703 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.802 2.699 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.400 4.619 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.831 5.624 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.679 5.978 11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.212 5.309 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.826 4.335 11.573 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.608 -0.461 5.568 1.00 0.00 N ATOM 1325 CA VAL A 86 -4.108 -1.824 5.426 1.00 0.00 C ATOM 1326 C VAL A 86 -4.291 -2.486 6.787 1.00 0.00 C ATOM 1327 O VAL A 86 -3.330 -2.676 7.531 1.00 0.00 O ATOM 1328 CB VAL A 86 -3.157 -2.684 4.572 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.617 -4.133 4.557 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -3.063 -2.130 3.158 1.00 0.00 C ATOM 0 H VAL A 86 -2.660 -0.321 5.219 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.074 -1.757 4.925 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.163 -2.648 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.933 -4.725 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.627 -4.522 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.621 -4.192 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.387 -2.750 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.052 -2.134 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.683 -1.109 3.192 1.00 0.00 H new ATOM 1340 N SER A 87 -5.533 -2.838 7.105 1.00 0.00 N ATOM 1341 CA SER A 87 -5.844 -3.477 8.378 1.00 0.00 C ATOM 1342 C SER A 87 -5.771 -4.996 8.255 1.00 0.00 C ATOM 1343 O SER A 87 -5.621 -5.534 7.159 1.00 0.00 O ATOM 1344 CB SER A 87 -7.236 -3.059 8.856 1.00 0.00 C ATOM 1345 OG SER A 87 -8.222 -3.367 7.886 1.00 0.00 O ATOM 0 H SER A 87 -6.340 -2.691 6.498 1.00 0.00 H new ATOM 0 HA SER A 87 -5.104 -3.153 9.110 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.470 -3.567 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.247 -1.989 9.063 1.00 0.00 H new ATOM 0 HG SER A 87 -9.103 -3.092 8.216 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.879 -5.681 9.389 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.824 -7.138 9.409 1.00 0.00 C ATOM 1353 C GLU A 88 -6.499 -7.725 8.173 1.00 0.00 C ATOM 1354 O GLU A 88 -5.859 -8.394 7.363 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.494 -7.678 10.674 1.00 0.00 C ATOM 1356 CG GLU A 88 -6.031 -9.073 11.060 1.00 0.00 C ATOM 1357 CD GLU A 88 -7.079 -9.841 11.841 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -8.265 -9.455 11.782 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.713 -10.829 12.512 1.00 0.00 O ATOM 0 H GLU A 88 -6.005 -5.251 10.305 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.776 -7.437 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.294 -6.996 11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.574 -7.691 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.776 -9.629 10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.122 -8.998 11.656 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.796 -7.469 8.036 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.559 -7.972 6.900 1.00 0.00 C ATOM 1368 C GLN A 89 -7.811 -7.731 5.593 1.00 0.00 C ATOM 1369 O GLN A 89 -7.635 -8.646 4.789 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.934 -7.304 6.845 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.951 -7.927 7.787 1.00 0.00 C ATOM 1372 CD GLN A 89 -10.673 -7.603 9.242 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -10.487 -6.442 9.607 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -10.645 -8.631 10.083 1.00 0.00 N ATOM 0 H GLN A 89 -8.341 -6.916 8.698 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.690 -9.046 7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.825 -6.247 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.315 -7.359 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.948 -7.574 7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.950 -9.009 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.805 -9.577 9.737 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.464 -8.474 11.074 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.372 -6.493 5.387 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.648 -6.154 4.176 1.00 0.00 C ATOM 1385 C GLY A 90 -5.378 -6.966 4.012 1.00 0.00 C ATOM 1386 O GLY A 90 -5.147 -7.565 2.962 1.00 0.00 O ATOM 0 H GLY A 90 -7.505 -5.719 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.294 -6.317 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.398 -5.093 4.191 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.553 -6.985 5.053 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.298 -7.729 5.020 1.00 0.00 C ATOM 1392 C LEU A 91 -3.533 -9.177 4.602 1.00 0.00 C ATOM 1393 O LEU A 91 -2.934 -9.660 3.641 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.621 -7.686 6.391 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.190 -8.223 6.450 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.190 -7.109 6.183 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.920 -8.872 7.800 1.00 0.00 C ATOM 0 H LEU A 91 -4.730 -6.494 5.930 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.646 -7.259 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.615 -6.653 6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.231 -8.255 7.093 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.074 -8.980 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.822 -7.510 6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.369 -6.689 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.306 -6.328 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.103 -9.249 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.054 -8.135 8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.615 -9.698 7.952 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.411 -9.861 5.327 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.728 -11.252 5.029 1.00 0.00 C ATOM 1411 C ILE A 92 -4.993 -11.449 3.540 1.00 0.00 C ATOM 1412 O ILE A 92 -4.597 -12.458 2.957 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.955 -11.733 5.825 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.645 -11.746 7.323 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.383 -13.116 5.355 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.868 -11.947 8.191 1.00 0.00 C ATOM 0 H ILE A 92 -4.916 -9.475 6.125 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.860 -11.843 5.323 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.778 -11.040 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.928 -12.540 7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.167 -10.805 7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.251 -13.442 5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.640 -13.077 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.565 -13.820 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.574 -11.945 9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.578 -11.139 8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.335 -12.901 7.947 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.663 -10.476 2.930 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.980 -10.542 1.509 1.00 0.00 C ATOM 1430 C GLU A 93 -4.709 -10.493 0.665 1.00 0.00 C ATOM 1431 O GLU A 93 -4.587 -11.201 -0.335 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.910 -9.393 1.117 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.299 -9.499 1.725 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.356 -8.803 0.890 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.505 -7.571 1.027 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.035 -9.492 0.099 1.00 0.00 O ATOM 0 H GLU A 93 -5.996 -9.633 3.398 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.485 -11.489 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.459 -8.450 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.999 -9.363 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.564 -10.551 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.288 -9.066 2.725 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.766 -9.651 1.076 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.505 -9.509 0.360 1.00 0.00 C ATOM 1445 C ILE A 94 -1.725 -10.820 0.353 1.00 0.00 C ATOM 1446 O ILE A 94 -1.206 -11.241 -0.681 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.627 -8.406 0.979 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.415 -7.099 1.089 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.368 -8.203 0.149 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.609 -5.954 1.663 1.00 0.00 C ATOM 0 H ILE A 94 -3.852 -9.057 1.901 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.754 -9.232 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.332 -8.716 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.777 -6.818 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.292 -7.265 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.242 -7.420 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.200 -9.133 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.643 -7.911 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.231 -5.060 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.269 -6.215 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.746 -5.761 1.026 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.649 -11.462 1.514 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.935 -12.727 1.643 1.00 0.00 C ATOM 1464 C LEU A 95 -1.596 -13.814 0.802 1.00 0.00 C ATOM 1465 O LEU A 95 -0.994 -14.851 0.523 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.885 -13.160 3.109 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.373 -12.115 4.101 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.767 -12.489 5.521 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.137 -11.966 3.986 1.00 0.00 C ATOM 0 H LEU A 95 -2.073 -11.127 2.379 1.00 0.00 H new ATOM 0 HA LEU A 95 0.082 -12.580 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.888 -13.459 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.252 -14.044 3.184 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.832 -11.156 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.394 -11.734 6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.853 -12.544 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.337 -13.458 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.484 -11.218 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.614 -12.922 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.396 -11.651 2.975 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.838 -13.569 0.398 1.00 0.00 N ATOM 1482 CA LYS A 96 -3.581 -14.524 -0.415 1.00 0.00 C ATOM 1483 C LYS A 96 -3.346 -14.274 -1.901 1.00 0.00 C ATOM 1484 O LYS A 96 -3.421 -15.194 -2.716 1.00 0.00 O ATOM 1485 CB LYS A 96 -5.077 -14.436 -0.103 1.00 0.00 C ATOM 1486 CG LYS A 96 -5.459 -15.062 1.228 1.00 0.00 C ATOM 1487 CD LYS A 96 -6.947 -14.924 1.502 1.00 0.00 C ATOM 1488 CE LYS A 96 -7.283 -15.281 2.942 1.00 0.00 C ATOM 1489 NZ LYS A 96 -7.441 -16.750 3.127 1.00 0.00 N ATOM 0 H LYS A 96 -3.351 -12.716 0.621 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.223 -15.525 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.378 -13.388 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.635 -14.928 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.185 -16.117 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.895 -14.586 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.263 -13.901 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.504 -15.572 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.495 -14.915 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.204 -14.777 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.669 -16.952 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.210 -17.096 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.554 -17.229 2.871 1.00 0.00 H new ATOM 1503 N LYS A 97 -3.058 -13.024 -2.247 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.808 -12.652 -3.635 1.00 0.00 C ATOM 1505 C LYS A 97 -1.333 -12.816 -3.985 1.00 0.00 C ATOM 1506 O LYS A 97 -0.988 -13.183 -5.108 1.00 0.00 O ATOM 1507 CB LYS A 97 -3.245 -11.206 -3.883 1.00 0.00 C ATOM 1508 CG LYS A 97 -2.186 -10.180 -3.519 1.00 0.00 C ATOM 1509 CD LYS A 97 -2.576 -8.787 -3.983 1.00 0.00 C ATOM 1510 CE LYS A 97 -3.865 -8.321 -3.324 1.00 0.00 C ATOM 1511 NZ LYS A 97 -5.068 -8.875 -4.004 1.00 0.00 N ATOM 0 H LYS A 97 -2.992 -12.251 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.390 -13.316 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.506 -11.089 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.148 -11.004 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.038 -10.176 -2.439 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.235 -10.462 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.774 -8.087 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.698 -8.784 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.868 -8.624 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.908 -7.232 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.698 -8.096 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.776 -9.405 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.572 -9.511 -3.354 1.00 0.00 H new ATOM 1525 N VAL A 98 -0.465 -12.544 -3.015 1.00 0.00 N ATOM 1526 CA VAL A 98 0.973 -12.664 -3.220 1.00 0.00 C ATOM 1527 C VAL A 98 1.402 -14.126 -3.260 1.00 0.00 C ATOM 1528 O VAL A 98 2.013 -14.579 -4.228 1.00 0.00 O ATOM 1529 CB VAL A 98 1.761 -11.939 -2.113 1.00 0.00 C ATOM 1530 CG1 VAL A 98 3.197 -12.437 -2.066 1.00 0.00 C ATOM 1531 CG2 VAL A 98 1.716 -10.434 -2.326 1.00 0.00 C ATOM 0 H VAL A 98 -0.733 -12.239 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 98 1.196 -12.196 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 98 1.294 -12.161 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.738 -11.913 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.204 -13.508 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.679 -12.248 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.278 -9.938 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.157 -10.190 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.681 -10.094 -2.304 1.00 0.00 H new