USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 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 71 ASN : amide:sc=-0.00681 K(o=-0.13,f=-2.5) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.121 K(o=-0.13,f=-2.1!) USER MOD Single : A 38 MET CE :methyl -174:sc= 0 (180deg=-0.0871) USER MOD Single : A 40 ASN : amide:sc= -0.0613 K(o=-0.061,f=-1.7!) 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 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 81:sc= 0.066 USER MOD Single : A 57 ASN : amide:sc= -0.821 K(o=-0.82,f=-0.035) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -124:sc= -1.73! (180deg=-5.17!) USER MOD Single : A 66 THR OG1 : rot -90:sc= -0.885 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 172:sc= -3.06 (180deg=-3.3!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.089 X(o=-0.089,f=-0.16) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 137:sc= -5.17! (180deg=-5.75!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.455 0.172 6.505 1.00 0.00 N ATOM 525 CA GLU A 37 15.813 1.245 7.255 1.00 0.00 C ATOM 526 C GLU A 37 14.661 1.851 6.459 1.00 0.00 C ATOM 527 O GLU A 37 13.542 1.969 6.957 1.00 0.00 O ATOM 528 CB GLU A 37 16.831 2.332 7.607 1.00 0.00 C ATOM 529 CG GLU A 37 17.758 1.950 8.749 1.00 0.00 C ATOM 530 CD GLU A 37 18.608 3.113 9.224 1.00 0.00 C ATOM 531 OE1 GLU A 37 19.678 3.348 8.623 1.00 0.00 O ATOM 532 OE2 GLU A 37 18.205 3.786 10.194 1.00 0.00 O ATOM 0 HA GLU A 37 15.413 0.821 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.429 2.557 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.298 3.245 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.165 1.574 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.409 1.137 8.427 1.00 0.00 H new ATOM 539 N MET A 38 14.944 2.235 5.218 1.00 0.00 N ATOM 540 CA MET A 38 13.932 2.829 4.352 1.00 0.00 C ATOM 541 C MET A 38 12.715 1.917 4.235 1.00 0.00 C ATOM 542 O MET A 38 11.575 2.370 4.350 1.00 0.00 O ATOM 543 CB MET A 38 14.514 3.103 2.965 1.00 0.00 C ATOM 544 CG MET A 38 14.889 1.842 2.203 1.00 0.00 C ATOM 545 SD MET A 38 16.016 2.166 0.834 1.00 0.00 S ATOM 546 CE MET A 38 15.013 3.247 -0.183 1.00 0.00 C ATOM 0 H MET A 38 15.865 2.145 4.790 1.00 0.00 H new ATOM 0 HA MET A 38 13.616 3.772 4.797 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.788 3.668 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 38 15.399 3.731 3.069 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.351 1.132 2.889 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.984 1.371 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.531 3.449 -1.120 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.058 2.766 -0.393 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.839 4.185 0.345 1.00 0.00 H new ATOM 556 N ARG A 39 12.963 0.632 4.005 1.00 0.00 N ATOM 557 CA ARG A 39 11.887 -0.342 3.870 1.00 0.00 C ATOM 558 C ARG A 39 11.095 -0.460 5.169 1.00 0.00 C ATOM 559 O ARG A 39 9.914 -0.119 5.221 1.00 0.00 O ATOM 560 CB ARG A 39 12.453 -1.708 3.479 1.00 0.00 C ATOM 561 CG ARG A 39 13.114 -1.725 2.110 1.00 0.00 C ATOM 562 CD ARG A 39 14.199 -2.788 2.028 1.00 0.00 C ATOM 563 NE ARG A 39 13.649 -4.109 1.739 1.00 0.00 N ATOM 564 CZ ARG A 39 14.384 -5.137 1.328 1.00 0.00 C ATOM 565 NH1 ARG A 39 15.691 -4.996 1.161 1.00 0.00 N ATOM 566 NH2 ARG A 39 13.810 -6.309 1.085 1.00 0.00 N ATOM 0 H ARG A 39 13.900 0.241 3.908 1.00 0.00 H new ATOM 0 HA ARG A 39 11.215 0.003 3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.181 -2.018 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.648 -2.443 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.362 -1.912 1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.546 -0.746 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.915 -2.516 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.746 -2.821 2.970 1.00 0.00 H new ATOM 0 HE ARG A 39 12.646 -4.251 1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.135 -4.097 1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.253 -5.787 0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.804 -6.421 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.375 -7.098 0.770 1.00 0.00 H new ATOM 580 N ASN A 40 11.754 -0.947 6.216 1.00 0.00 N ATOM 581 CA ASN A 40 11.112 -1.111 7.514 1.00 0.00 C ATOM 582 C ASN A 40 10.094 -0.002 7.762 1.00 0.00 C ATOM 583 O ASN A 40 8.904 -0.264 7.935 1.00 0.00 O ATOM 584 CB ASN A 40 12.160 -1.116 8.629 1.00 0.00 C ATOM 585 CG ASN A 40 12.913 -2.430 8.709 1.00 0.00 C ATOM 586 OD1 ASN A 40 12.473 -3.444 8.168 1.00 0.00 O ATOM 587 ND2 ASN A 40 14.054 -2.417 9.387 1.00 0.00 N ATOM 0 H ASN A 40 12.732 -1.235 6.190 1.00 0.00 H new ATOM 0 HA ASN A 40 10.588 -2.067 7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.868 -0.304 8.462 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.672 -0.922 9.584 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.604 -3.271 9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.380 -1.553 9.819 1.00 0.00 H new ATOM 594 N SER A 41 10.572 1.239 7.778 1.00 0.00 N ATOM 595 CA SER A 41 9.705 2.389 8.008 1.00 0.00 C ATOM 596 C SER A 41 8.478 2.334 7.102 1.00 0.00 C ATOM 597 O SER A 41 7.345 2.257 7.578 1.00 0.00 O ATOM 598 CB SER A 41 10.473 3.689 7.767 1.00 0.00 C ATOM 599 OG SER A 41 9.836 4.783 8.404 1.00 0.00 O ATOM 0 H SER A 41 11.554 1.473 7.634 1.00 0.00 H new ATOM 0 HA SER A 41 9.371 2.360 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.491 3.588 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.545 3.879 6.696 1.00 0.00 H new ATOM 0 HG SER A 41 10.347 5.602 8.236 1.00 0.00 H new ATOM 605 N ILE A 42 8.713 2.374 5.795 1.00 0.00 N ATOM 606 CA ILE A 42 7.629 2.328 4.822 1.00 0.00 C ATOM 607 C ILE A 42 6.614 1.248 5.181 1.00 0.00 C ATOM 608 O ILE A 42 5.407 1.438 5.025 1.00 0.00 O ATOM 609 CB ILE A 42 8.159 2.067 3.400 1.00 0.00 C ATOM 610 CG1 ILE A 42 9.132 3.172 2.984 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.004 1.972 2.414 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.177 2.713 1.991 1.00 0.00 C ATOM 0 H ILE A 42 9.645 2.438 5.385 1.00 0.00 H new ATOM 0 HA ILE A 42 7.142 3.303 4.846 1.00 0.00 H new ATOM 0 HB ILE A 42 8.694 1.117 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.568 3.998 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.631 3.559 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.394 1.787 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.345 1.153 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.444 2.907 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.832 3.547 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.766 1.907 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.686 2.353 1.087 1.00 0.00 H new ATOM 624 N LEU A 43 7.111 0.114 5.664 1.00 0.00 N ATOM 625 CA LEU A 43 6.247 -0.997 6.048 1.00 0.00 C ATOM 626 C LEU A 43 5.387 -0.628 7.252 1.00 0.00 C ATOM 627 O LEU A 43 4.215 -0.995 7.326 1.00 0.00 O ATOM 628 CB LEU A 43 7.088 -2.235 6.367 1.00 0.00 C ATOM 629 CG LEU A 43 7.962 -2.764 5.230 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.909 -3.840 5.740 1.00 0.00 C ATOM 631 CD2 LEU A 43 7.098 -3.304 4.100 1.00 0.00 C ATOM 0 H LEU A 43 8.107 -0.060 5.799 1.00 0.00 H new ATOM 0 HA LEU A 43 5.587 -1.219 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.732 -2.003 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.417 -3.033 6.684 1.00 0.00 H new ATOM 0 HG LEU A 43 8.558 -1.938 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.523 -4.204 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.552 -3.422 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.331 -4.666 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.737 -3.676 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.475 -4.116 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.462 -2.507 3.715 1.00 0.00 H new ATOM 643 N ALA A 44 5.977 0.103 8.192 1.00 0.00 N ATOM 644 CA ALA A 44 5.264 0.525 9.391 1.00 0.00 C ATOM 645 C ALA A 44 4.317 1.681 9.087 1.00 0.00 C ATOM 646 O ALA A 44 3.324 1.882 9.786 1.00 0.00 O ATOM 647 CB ALA A 44 6.250 0.921 10.480 1.00 0.00 C ATOM 0 H ALA A 44 6.947 0.415 8.146 1.00 0.00 H new ATOM 0 HA ALA A 44 4.668 -0.316 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.703 1.234 11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.884 0.068 10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.871 1.745 10.127 1.00 0.00 H new ATOM 653 N GLN A 45 4.631 2.439 8.041 1.00 0.00 N ATOM 654 CA GLN A 45 3.808 3.576 7.647 1.00 0.00 C ATOM 655 C GLN A 45 2.623 3.122 6.800 1.00 0.00 C ATOM 656 O GLN A 45 1.549 3.722 6.846 1.00 0.00 O ATOM 657 CB GLN A 45 4.645 4.593 6.870 1.00 0.00 C ATOM 658 CG GLN A 45 5.874 5.073 7.625 1.00 0.00 C ATOM 659 CD GLN A 45 6.267 6.491 7.260 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.920 7.444 7.959 1.00 0.00 O ATOM 661 NE2 GLN A 45 6.995 6.638 6.159 1.00 0.00 N ATOM 0 H GLN A 45 5.449 2.286 7.451 1.00 0.00 H new ATOM 0 HA GLN A 45 3.425 4.047 8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.960 4.147 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.021 5.452 6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.682 5.018 8.697 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.708 4.404 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.260 5.820 5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.289 7.569 5.863 1.00 0.00 H new ATOM 670 N VAL A 46 2.826 2.060 6.027 1.00 0.00 N ATOM 671 CA VAL A 46 1.775 1.526 5.170 1.00 0.00 C ATOM 672 C VAL A 46 0.895 0.539 5.930 1.00 0.00 C ATOM 673 O VAL A 46 -0.296 0.406 5.646 1.00 0.00 O ATOM 674 CB VAL A 46 2.362 0.823 3.932 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.213 1.791 3.123 1.00 0.00 C ATOM 676 CG2 VAL A 46 3.174 -0.395 4.345 1.00 0.00 C ATOM 0 H VAL A 46 3.709 1.552 5.977 1.00 0.00 H new ATOM 0 HA VAL A 46 1.171 2.373 4.845 1.00 0.00 H new ATOM 0 HB VAL A 46 1.538 0.485 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.620 1.277 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.598 2.630 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.031 2.160 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.581 -0.879 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.991 -0.084 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.532 -1.096 4.879 1.00 0.00 H new ATOM 686 N LEU A 47 1.488 -0.150 6.898 1.00 0.00 N ATOM 687 CA LEU A 47 0.758 -1.125 7.701 1.00 0.00 C ATOM 688 C LEU A 47 0.221 -0.486 8.978 1.00 0.00 C ATOM 689 O LEU A 47 0.702 0.562 9.409 1.00 0.00 O ATOM 690 CB LEU A 47 1.664 -2.307 8.051 1.00 0.00 C ATOM 691 CG LEU A 47 2.171 -3.136 6.870 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.300 -4.055 7.309 1.00 0.00 C ATOM 693 CD2 LEU A 47 1.035 -3.940 6.256 1.00 0.00 C ATOM 0 H LEU A 47 2.472 -0.052 7.146 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.087 -1.484 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.526 -1.928 8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.121 -2.968 8.727 1.00 0.00 H new ATOM 0 HG LEU A 47 2.558 -2.455 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.648 -4.637 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.123 -3.458 7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.939 -4.730 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.414 -4.524 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.618 -4.612 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.258 -3.262 5.904 1.00 0.00 H new ATOM 705 N ASP A 48 -0.775 -1.126 9.580 1.00 0.00 N ATOM 706 CA ASP A 48 -1.376 -0.622 10.809 1.00 0.00 C ATOM 707 C ASP A 48 -1.170 -1.606 11.957 1.00 0.00 C ATOM 708 O ASP A 48 -0.854 -2.774 11.736 1.00 0.00 O ATOM 709 CB ASP A 48 -2.869 -0.364 10.605 1.00 0.00 C ATOM 710 CG ASP A 48 -3.414 0.677 11.563 1.00 0.00 C ATOM 711 OD1 ASP A 48 -2.619 1.509 12.049 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.634 0.661 11.825 1.00 0.00 O ATOM 0 H ASP A 48 -1.183 -1.995 9.237 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.885 0.317 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.041 -0.035 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.417 -1.297 10.737 1.00 0.00 H new ATOM 717 N GLN A 49 -1.349 -1.123 13.183 1.00 0.00 N ATOM 718 CA GLN A 49 -1.180 -1.960 14.365 1.00 0.00 C ATOM 719 C GLN A 49 -1.770 -3.348 14.138 1.00 0.00 C ATOM 720 O GLN A 49 -1.224 -4.349 14.602 1.00 0.00 O ATOM 721 CB GLN A 49 -1.841 -1.304 15.578 1.00 0.00 C ATOM 722 CG GLN A 49 -1.646 -2.080 16.871 1.00 0.00 C ATOM 723 CD GLN A 49 -2.706 -1.762 17.908 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.792 -0.637 18.400 1.00 0.00 O ATOM 725 NE2 GLN A 49 -3.520 -2.755 18.246 1.00 0.00 N ATOM 0 H GLN A 49 -1.611 -0.158 13.383 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.112 -2.066 14.555 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.437 -0.299 15.702 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.909 -1.197 15.386 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.663 -3.148 16.655 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.662 -1.853 17.281 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.413 -3.672 17.813 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.252 -2.601 18.939 1.00 0.00 H new ATOM 734 N SER A 50 -2.889 -3.400 13.422 1.00 0.00 N ATOM 735 CA SER A 50 -3.555 -4.665 13.137 1.00 0.00 C ATOM 736 C SER A 50 -2.656 -5.579 12.310 1.00 0.00 C ATOM 737 O SER A 50 -2.257 -6.652 12.764 1.00 0.00 O ATOM 738 CB SER A 50 -4.870 -4.418 12.394 1.00 0.00 C ATOM 739 OG SER A 50 -5.855 -3.888 13.264 1.00 0.00 O ATOM 0 H SER A 50 -3.353 -2.581 13.029 1.00 0.00 H new ATOM 0 HA SER A 50 -3.768 -5.156 14.087 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.700 -3.728 11.568 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.228 -5.352 11.961 1.00 0.00 H new ATOM 0 HG SER A 50 -6.685 -3.737 12.765 1.00 0.00 H new ATOM 745 N ALA A 51 -2.340 -5.146 11.094 1.00 0.00 N ATOM 746 CA ALA A 51 -1.486 -5.923 10.204 1.00 0.00 C ATOM 747 C ALA A 51 -0.169 -6.283 10.883 1.00 0.00 C ATOM 748 O ALA A 51 0.239 -7.444 10.892 1.00 0.00 O ATOM 749 CB ALA A 51 -1.227 -5.154 8.917 1.00 0.00 C ATOM 0 H ALA A 51 -2.663 -4.261 10.703 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.004 -6.851 9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.588 -5.746 8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.174 -4.954 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.733 -4.211 9.150 1.00 0.00 H new ATOM 755 N ARG A 52 0.493 -5.279 11.450 1.00 0.00 N ATOM 756 CA ARG A 52 1.765 -5.490 12.129 1.00 0.00 C ATOM 757 C ARG A 52 1.784 -6.839 12.842 1.00 0.00 C ATOM 758 O ARG A 52 2.664 -7.665 12.604 1.00 0.00 O ATOM 759 CB ARG A 52 2.023 -4.366 13.135 1.00 0.00 C ATOM 760 CG ARG A 52 2.197 -3.000 12.490 1.00 0.00 C ATOM 761 CD ARG A 52 3.503 -2.911 11.717 1.00 0.00 C ATOM 762 NE ARG A 52 4.638 -2.629 12.590 1.00 0.00 N ATOM 763 CZ ARG A 52 5.364 -3.573 13.180 1.00 0.00 C ATOM 764 NH1 ARG A 52 5.075 -4.853 12.989 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.383 -3.237 13.961 1.00 0.00 N ATOM 0 H ARG A 52 0.169 -4.312 11.452 1.00 0.00 H new ATOM 0 HA ARG A 52 2.554 -5.485 11.377 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.193 -4.323 13.840 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.918 -4.603 13.711 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.361 -2.805 11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.175 -2.228 13.259 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.676 -3.849 11.189 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.424 -2.130 10.961 1.00 0.00 H new ATOM 0 HE ARG A 52 4.888 -1.654 12.756 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.294 -5.115 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.634 -5.575 13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.610 -2.254 14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.940 -3.962 14.413 1.00 0.00 H new ATOM 779 N ALA A 53 0.808 -7.054 13.717 1.00 0.00 N ATOM 780 CA ALA A 53 0.711 -8.302 14.463 1.00 0.00 C ATOM 781 C ALA A 53 0.753 -9.505 13.527 1.00 0.00 C ATOM 782 O ALA A 53 1.689 -10.305 13.571 1.00 0.00 O ATOM 783 CB ALA A 53 -0.562 -8.323 15.295 1.00 0.00 C ATOM 0 H ALA A 53 0.072 -6.379 13.927 1.00 0.00 H new ATOM 0 HA ALA A 53 1.569 -8.364 15.132 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.621 -9.261 15.847 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.552 -7.489 15.997 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.427 -8.233 14.638 1.00 0.00 H new ATOM 789 N ARG A 54 -0.265 -9.628 12.683 1.00 0.00 N ATOM 790 CA ARG A 54 -0.345 -10.736 11.738 1.00 0.00 C ATOM 791 C ARG A 54 0.994 -10.951 11.038 1.00 0.00 C ATOM 792 O ARG A 54 1.553 -12.048 11.067 1.00 0.00 O ATOM 793 CB ARG A 54 -1.437 -10.471 10.700 1.00 0.00 C ATOM 794 CG ARG A 54 -2.092 -11.736 10.170 1.00 0.00 C ATOM 795 CD ARG A 54 -3.060 -12.330 11.181 1.00 0.00 C ATOM 796 NE ARG A 54 -2.381 -13.184 12.152 1.00 0.00 N ATOM 797 CZ ARG A 54 -2.999 -13.778 13.167 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.303 -13.611 13.343 1.00 0.00 N ATOM 799 NH2 ARG A 54 -2.313 -14.540 14.009 1.00 0.00 N ATOM 0 H ARG A 54 -1.046 -8.974 12.634 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.594 -11.639 12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.202 -9.834 11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.007 -9.917 9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.623 -11.511 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.324 -12.470 9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.577 -11.525 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.820 -12.910 10.658 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.378 -13.332 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.834 -13.025 12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.775 -14.068 14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.310 -14.670 13.877 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.789 -14.995 14.788 1.00 0.00 H new ATOM 813 N LEU A 55 1.503 -9.897 10.409 1.00 0.00 N ATOM 814 CA LEU A 55 2.777 -9.970 9.701 1.00 0.00 C ATOM 815 C LEU A 55 3.856 -10.590 10.583 1.00 0.00 C ATOM 816 O LEU A 55 4.531 -11.538 10.182 1.00 0.00 O ATOM 817 CB LEU A 55 3.211 -8.575 9.248 1.00 0.00 C ATOM 818 CG LEU A 55 4.487 -8.509 8.408 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.181 -8.805 6.948 1.00 0.00 C ATOM 820 CD2 LEU A 55 5.150 -7.147 8.551 1.00 0.00 C ATOM 0 H LEU A 55 1.053 -8.982 10.375 1.00 0.00 H new ATOM 0 HA LEU A 55 2.642 -10.604 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.398 -8.132 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.350 -7.954 10.133 1.00 0.00 H new ATOM 0 HG LEU A 55 5.179 -9.268 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.101 -8.753 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.752 -9.803 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.470 -8.071 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.056 -7.118 7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.463 -6.371 8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.406 -6.975 9.596 1.00 0.00 H new ATOM 832 N SER A 56 4.011 -10.049 11.788 1.00 0.00 N ATOM 833 CA SER A 56 5.009 -10.548 12.727 1.00 0.00 C ATOM 834 C SER A 56 4.865 -12.054 12.922 1.00 0.00 C ATOM 835 O SER A 56 5.791 -12.817 12.651 1.00 0.00 O ATOM 836 CB SER A 56 4.876 -9.833 14.073 1.00 0.00 C ATOM 837 OG SER A 56 5.363 -8.504 13.994 1.00 0.00 O ATOM 0 H SER A 56 3.458 -9.266 12.136 1.00 0.00 H new ATOM 0 HA SER A 56 5.996 -10.345 12.312 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.831 -9.823 14.381 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.428 -10.381 14.836 1.00 0.00 H new ATOM 0 HG SER A 56 4.678 -7.928 13.595 1.00 0.00 H new ATOM 843 N ASN A 57 3.696 -12.475 13.396 1.00 0.00 N ATOM 844 CA ASN A 57 3.430 -13.889 13.629 1.00 0.00 C ATOM 845 C ASN A 57 3.701 -14.708 12.370 1.00 0.00 C ATOM 846 O ASN A 57 4.250 -15.809 12.439 1.00 0.00 O ATOM 847 CB ASN A 57 1.982 -14.090 14.079 1.00 0.00 C ATOM 848 CG ASN A 57 1.589 -15.554 14.128 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.228 -16.358 14.807 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.532 -15.907 13.405 1.00 0.00 N ATOM 0 H ASN A 57 2.918 -11.856 13.626 1.00 0.00 H new ATOM 0 HA ASN A 57 4.099 -14.234 14.417 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.846 -13.647 15.066 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.316 -13.561 13.398 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.220 -16.878 13.398 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.032 -15.207 12.857 1.00 0.00 H new ATOM 857 N LEU A 58 3.313 -14.164 11.222 1.00 0.00 N ATOM 858 CA LEU A 58 3.515 -14.844 9.947 1.00 0.00 C ATOM 859 C LEU A 58 4.996 -15.116 9.703 1.00 0.00 C ATOM 860 O LEU A 58 5.355 -16.034 8.967 1.00 0.00 O ATOM 861 CB LEU A 58 2.944 -14.003 8.804 1.00 0.00 C ATOM 862 CG LEU A 58 2.593 -14.762 7.523 1.00 0.00 C ATOM 863 CD1 LEU A 58 1.402 -14.118 6.831 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.792 -14.814 6.588 1.00 0.00 C ATOM 0 H LEU A 58 2.857 -13.255 11.148 1.00 0.00 H new ATOM 0 HA LEU A 58 2.991 -15.799 9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.046 -13.501 9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.666 -13.225 8.556 1.00 0.00 H new ATOM 0 HG LEU A 58 2.323 -15.783 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.167 -14.671 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.541 -14.134 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.644 -13.086 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.524 -15.358 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.094 -13.800 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.619 -15.322 7.084 1.00 0.00 H new ATOM 876 N ALA A 59 5.851 -14.314 10.329 1.00 0.00 N ATOM 877 CA ALA A 59 7.292 -14.472 10.183 1.00 0.00 C ATOM 878 C ALA A 59 7.777 -15.745 10.868 1.00 0.00 C ATOM 879 O ALA A 59 8.803 -16.313 10.490 1.00 0.00 O ATOM 880 CB ALA A 59 8.016 -13.258 10.748 1.00 0.00 C ATOM 0 H ALA A 59 5.570 -13.549 10.942 1.00 0.00 H new ATOM 0 HA ALA A 59 7.518 -14.554 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.092 -13.390 10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.700 -12.364 10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.775 -13.150 11.806 1.00 0.00 H new ATOM 886 N LEU A 60 7.034 -16.189 11.876 1.00 0.00 N ATOM 887 CA LEU A 60 7.389 -17.396 12.614 1.00 0.00 C ATOM 888 C LEU A 60 7.050 -18.646 11.809 1.00 0.00 C ATOM 889 O LEU A 60 7.913 -19.487 11.555 1.00 0.00 O ATOM 890 CB LEU A 60 6.660 -17.428 13.958 1.00 0.00 C ATOM 891 CG LEU A 60 7.029 -16.323 14.948 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.067 -16.318 16.126 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.463 -16.494 15.429 1.00 0.00 C ATOM 0 H LEU A 60 6.182 -15.731 12.201 1.00 0.00 H new ATOM 0 HA LEU A 60 8.464 -17.381 12.791 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.588 -17.375 13.768 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.853 -18.391 14.431 1.00 0.00 H new ATOM 0 HG LEU A 60 6.950 -15.363 14.437 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.346 -15.525 16.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.052 -16.146 15.767 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.113 -17.280 16.637 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.708 -15.699 16.133 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.569 -17.460 15.922 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.141 -16.446 14.577 1.00 0.00 H new ATOM 905 N VAL A 61 5.788 -18.761 11.408 1.00 0.00 N ATOM 906 CA VAL A 61 5.335 -19.907 10.628 1.00 0.00 C ATOM 907 C VAL A 61 6.008 -19.942 9.260 1.00 0.00 C ATOM 908 O VAL A 61 6.613 -20.944 8.879 1.00 0.00 O ATOM 909 CB VAL A 61 3.807 -19.886 10.436 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.355 -18.540 9.892 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.371 -21.016 9.515 1.00 0.00 C ATOM 0 H VAL A 61 5.061 -18.075 11.610 1.00 0.00 H new ATOM 0 HA VAL A 61 5.611 -20.800 11.188 1.00 0.00 H new ATOM 0 HB VAL A 61 3.334 -20.035 11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.273 -18.545 9.763 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.634 -17.752 10.592 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.834 -18.357 8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.289 -20.987 9.390 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.852 -20.900 8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.660 -21.972 9.951 1.00 0.00 H new ATOM 921 N LYS A 62 5.899 -18.841 8.525 1.00 0.00 N ATOM 922 CA LYS A 62 6.498 -18.742 7.200 1.00 0.00 C ATOM 923 C LYS A 62 7.216 -17.408 7.025 1.00 0.00 C ATOM 924 O LYS A 62 6.649 -16.429 6.542 1.00 0.00 O ATOM 925 CB LYS A 62 5.425 -18.901 6.120 1.00 0.00 C ATOM 926 CG LYS A 62 4.052 -18.416 6.551 1.00 0.00 C ATOM 927 CD LYS A 62 3.274 -17.834 5.382 1.00 0.00 C ATOM 928 CE LYS A 62 2.415 -18.890 4.703 1.00 0.00 C ATOM 929 NZ LYS A 62 1.282 -18.283 3.950 1.00 0.00 N ATOM 0 H LYS A 62 5.400 -18.003 8.825 1.00 0.00 H new ATOM 0 HA LYS A 62 7.229 -19.544 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.733 -18.351 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.358 -19.952 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.492 -19.244 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.160 -17.661 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.641 -17.020 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.968 -17.407 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.031 -19.476 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.025 -19.578 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.721 -19.035 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.679 -17.744 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.654 -17.645 3.217 1.00 0.00 H new ATOM 943 N PRO A 63 8.496 -17.368 7.425 1.00 0.00 N ATOM 944 CA PRO A 63 9.320 -16.160 7.321 1.00 0.00 C ATOM 945 C PRO A 63 9.659 -15.813 5.875 1.00 0.00 C ATOM 946 O PRO A 63 9.471 -14.678 5.440 1.00 0.00 O ATOM 947 CB PRO A 63 10.589 -16.528 8.094 1.00 0.00 C ATOM 948 CG PRO A 63 10.661 -18.014 8.018 1.00 0.00 C ATOM 949 CD PRO A 63 9.237 -18.498 8.010 1.00 0.00 C ATOM 0 HA PRO A 63 8.807 -15.281 7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.471 -16.066 7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.536 -16.187 9.128 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.187 -18.334 7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.207 -18.422 8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.124 -19.404 7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.886 -18.731 9.015 1.00 0.00 H new ATOM 957 N GLU A 64 10.160 -16.798 5.136 1.00 0.00 N ATOM 958 CA GLU A 64 10.525 -16.595 3.739 1.00 0.00 C ATOM 959 C GLU A 64 9.385 -15.934 2.970 1.00 0.00 C ATOM 960 O GLU A 64 9.610 -15.245 1.974 1.00 0.00 O ATOM 961 CB GLU A 64 10.889 -17.930 3.085 1.00 0.00 C ATOM 962 CG GLU A 64 9.712 -18.880 2.943 1.00 0.00 C ATOM 963 CD GLU A 64 9.497 -19.731 4.179 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.491 -20.276 4.703 1.00 0.00 O ATOM 965 OE2 GLU A 64 8.336 -19.853 4.621 1.00 0.00 O ATOM 0 H GLU A 64 10.322 -17.744 5.481 1.00 0.00 H new ATOM 0 HA GLU A 64 11.392 -15.935 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.311 -17.738 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.666 -18.414 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.808 -18.305 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.876 -19.530 2.083 1.00 0.00 H new ATOM 972 N LYS A 65 8.160 -16.148 3.438 1.00 0.00 N ATOM 973 CA LYS A 65 6.984 -15.573 2.796 1.00 0.00 C ATOM 974 C LYS A 65 6.802 -14.114 3.202 1.00 0.00 C ATOM 975 O LYS A 65 6.696 -13.230 2.351 1.00 0.00 O ATOM 976 CB LYS A 65 5.734 -16.376 3.163 1.00 0.00 C ATOM 977 CG LYS A 65 4.446 -15.775 2.627 1.00 0.00 C ATOM 978 CD LYS A 65 4.097 -16.336 1.259 1.00 0.00 C ATOM 979 CE LYS A 65 4.690 -15.491 0.142 1.00 0.00 C ATOM 980 NZ LYS A 65 6.041 -15.972 -0.260 1.00 0.00 N ATOM 0 H LYS A 65 7.956 -16.716 4.260 1.00 0.00 H new ATOM 0 HA LYS A 65 7.132 -15.616 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.839 -17.391 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.666 -16.451 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.632 -15.977 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.548 -14.692 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.467 -17.358 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.014 -16.379 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.025 -15.512 -0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.756 -14.453 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.726 -15.194 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.330 -16.755 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.012 -16.304 -1.245 1.00 0.00 H new ATOM 994 N THR A 66 6.767 -13.867 4.508 1.00 0.00 N ATOM 995 CA THR A 66 6.598 -12.515 5.026 1.00 0.00 C ATOM 996 C THR A 66 7.347 -11.501 4.170 1.00 0.00 C ATOM 997 O THR A 66 6.752 -10.566 3.632 1.00 0.00 O ATOM 998 CB THR A 66 7.090 -12.406 6.481 1.00 0.00 C ATOM 999 OG1 THR A 66 6.944 -13.667 7.144 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.315 -11.337 7.236 1.00 0.00 C ATOM 0 H THR A 66 6.853 -14.586 5.226 1.00 0.00 H new ATOM 0 HA THR A 66 5.531 -12.295 4.994 1.00 0.00 H new ATOM 0 HB THR A 66 8.143 -12.125 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.058 -13.717 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.680 -11.279 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.453 -10.373 6.746 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.255 -11.592 7.242 1.00 0.00 H new ATOM 1008 N LYS A 67 8.656 -11.690 4.047 1.00 0.00 N ATOM 1009 CA LYS A 67 9.488 -10.792 3.254 1.00 0.00 C ATOM 1010 C LYS A 67 8.802 -10.433 1.940 1.00 0.00 C ATOM 1011 O LYS A 67 8.434 -9.280 1.716 1.00 0.00 O ATOM 1012 CB LYS A 67 10.847 -11.438 2.972 1.00 0.00 C ATOM 1013 CG LYS A 67 11.713 -11.595 4.209 1.00 0.00 C ATOM 1014 CD LYS A 67 13.192 -11.579 3.860 1.00 0.00 C ATOM 1015 CE LYS A 67 14.060 -11.662 5.106 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.250 -13.069 5.557 1.00 0.00 N ATOM 0 H LYS A 67 9.164 -12.457 4.486 1.00 0.00 H new ATOM 0 HA LYS A 67 9.639 -9.877 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.688 -12.418 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.382 -10.835 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.495 -10.790 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.467 -12.531 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.420 -12.416 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.428 -10.667 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.031 -11.212 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.601 -11.083 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.847 -13.083 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.325 -13.491 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.711 -13.616 4.802 1.00 0.00 H new ATOM 1030 N ALA A 68 8.632 -11.427 1.075 1.00 0.00 N ATOM 1031 CA ALA A 68 7.987 -11.216 -0.215 1.00 0.00 C ATOM 1032 C ALA A 68 6.854 -10.202 -0.103 1.00 0.00 C ATOM 1033 O ALA A 68 6.798 -9.233 -0.860 1.00 0.00 O ATOM 1034 CB ALA A 68 7.464 -12.535 -0.766 1.00 0.00 C ATOM 0 H ALA A 68 8.932 -12.387 1.244 1.00 0.00 H new ATOM 0 HA ALA A 68 8.731 -10.816 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.985 -12.362 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.293 -13.231 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.739 -12.958 -0.071 1.00 0.00 H new ATOM 1040 N VAL A 69 5.953 -10.431 0.847 1.00 0.00 N ATOM 1041 CA VAL A 69 4.821 -9.536 1.058 1.00 0.00 C ATOM 1042 C VAL A 69 5.288 -8.099 1.267 1.00 0.00 C ATOM 1043 O VAL A 69 4.800 -7.178 0.614 1.00 0.00 O ATOM 1044 CB VAL A 69 3.980 -9.972 2.272 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.830 -9.003 2.501 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.463 -11.390 2.080 1.00 0.00 C ATOM 0 H VAL A 69 5.985 -11.228 1.483 1.00 0.00 H new ATOM 0 HA VAL A 69 4.205 -9.588 0.161 1.00 0.00 H new ATOM 0 HB VAL A 69 4.617 -9.958 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.247 -9.327 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.227 -8.005 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.191 -8.981 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.871 -11.682 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.842 -11.433 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.306 -12.073 1.970 1.00 0.00 H new ATOM 1056 N GLU A 70 6.236 -7.918 2.181 1.00 0.00 N ATOM 1057 CA GLU A 70 6.768 -6.593 2.475 1.00 0.00 C ATOM 1058 C GLU A 70 7.000 -5.802 1.191 1.00 0.00 C ATOM 1059 O GLU A 70 6.525 -4.676 1.048 1.00 0.00 O ATOM 1060 CB GLU A 70 8.077 -6.707 3.260 1.00 0.00 C ATOM 1061 CG GLU A 70 7.915 -7.363 4.621 1.00 0.00 C ATOM 1062 CD GLU A 70 9.147 -7.213 5.492 1.00 0.00 C ATOM 1063 OE1 GLU A 70 10.238 -7.633 5.051 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.021 -6.677 6.612 1.00 0.00 O ATOM 0 H GLU A 70 6.651 -8.671 2.730 1.00 0.00 H new ATOM 0 HA GLU A 70 6.034 -6.062 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.794 -7.280 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.499 -5.711 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.058 -6.924 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.697 -8.422 4.486 1.00 0.00 H new ATOM 1071 N ASN A 71 7.736 -6.400 0.259 1.00 0.00 N ATOM 1072 CA ASN A 71 8.033 -5.752 -1.013 1.00 0.00 C ATOM 1073 C ASN A 71 6.748 -5.379 -1.746 1.00 0.00 C ATOM 1074 O ASN A 71 6.639 -4.292 -2.315 1.00 0.00 O ATOM 1075 CB ASN A 71 8.885 -6.671 -1.890 1.00 0.00 C ATOM 1076 CG ASN A 71 9.341 -5.991 -3.167 1.00 0.00 C ATOM 1077 OD1 ASN A 71 9.333 -4.764 -3.268 1.00 0.00 O ATOM 1078 ND2 ASN A 71 9.742 -6.788 -4.151 1.00 0.00 N ATOM 0 H ASN A 71 8.137 -7.332 0.361 1.00 0.00 H new ATOM 0 HA ASN A 71 8.591 -4.839 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.757 -7.001 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.312 -7.563 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.060 -6.388 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.732 -7.800 -4.024 1.00 0.00 H new ATOM 1085 N TYR A 72 5.778 -6.286 -1.727 1.00 0.00 N ATOM 1086 CA TYR A 72 4.501 -6.053 -2.391 1.00 0.00 C ATOM 1087 C TYR A 72 3.856 -4.762 -1.896 1.00 0.00 C ATOM 1088 O TYR A 72 3.275 -4.005 -2.675 1.00 0.00 O ATOM 1089 CB TYR A 72 3.556 -7.232 -2.153 1.00 0.00 C ATOM 1090 CG TYR A 72 2.267 -7.143 -2.938 1.00 0.00 C ATOM 1091 CD1 TYR A 72 1.309 -6.183 -2.633 1.00 0.00 C ATOM 1092 CD2 TYR A 72 2.005 -8.019 -3.984 1.00 0.00 C ATOM 1093 CE1 TYR A 72 0.130 -6.098 -3.348 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.829 -7.941 -4.705 1.00 0.00 C ATOM 1095 CZ TYR A 72 -0.105 -6.979 -4.383 1.00 0.00 C ATOM 1096 OH TYR A 72 -1.279 -6.898 -5.097 1.00 0.00 O ATOM 0 H TYR A 72 5.852 -7.189 -1.259 1.00 0.00 H new ATOM 0 HA TYR A 72 4.689 -5.957 -3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.069 -8.157 -2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.321 -7.290 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.490 -5.492 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.734 -8.775 -4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.604 -5.346 -3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.642 -8.629 -5.516 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.288 -7.589 -5.792 1.00 0.00 H new ATOM 1106 N LEU A 73 3.965 -4.516 -0.595 1.00 0.00 N ATOM 1107 CA LEU A 73 3.394 -3.316 0.007 1.00 0.00 C ATOM 1108 C LEU A 73 4.159 -2.070 -0.430 1.00 0.00 C ATOM 1109 O LEU A 73 3.573 -1.120 -0.948 1.00 0.00 O ATOM 1110 CB LEU A 73 3.410 -3.429 1.532 1.00 0.00 C ATOM 1111 CG LEU A 73 2.348 -4.340 2.149 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.654 -4.600 3.616 1.00 0.00 C ATOM 1113 CD2 LEU A 73 0.964 -3.729 1.991 1.00 0.00 C ATOM 0 H LEU A 73 4.443 -5.131 0.063 1.00 0.00 H new ATOM 0 HA LEU A 73 2.363 -3.225 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.392 -3.789 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.291 -2.430 1.952 1.00 0.00 H new ATOM 0 HG LEU A 73 2.364 -5.294 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.887 -5.250 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.628 -5.082 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.666 -3.655 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.221 -4.391 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.934 -2.761 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.744 -3.596 0.932 1.00 0.00 H new ATOM 1125 N ILE A 74 5.471 -2.084 -0.220 1.00 0.00 N ATOM 1126 CA ILE A 74 6.316 -0.958 -0.595 1.00 0.00 C ATOM 1127 C ILE A 74 5.921 -0.404 -1.959 1.00 0.00 C ATOM 1128 O ILE A 74 5.591 0.774 -2.089 1.00 0.00 O ATOM 1129 CB ILE A 74 7.804 -1.356 -0.626 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.256 -1.831 0.756 1.00 0.00 C ATOM 1131 CG2 ILE A 74 8.655 -0.186 -1.096 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.556 -2.605 0.733 1.00 0.00 C ATOM 0 H ILE A 74 5.971 -2.863 0.208 1.00 0.00 H new ATOM 0 HA ILE A 74 6.170 -0.188 0.163 1.00 0.00 H new ATOM 0 HB ILE A 74 7.931 -2.178 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.369 -0.966 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.477 -2.458 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.704 -0.482 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.345 0.109 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.526 0.655 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.816 -2.910 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.442 -3.489 0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.348 -1.974 0.330 1.00 0.00 H new ATOM 1144 N GLN A 75 5.954 -1.263 -2.973 1.00 0.00 N ATOM 1145 CA GLN A 75 5.598 -0.860 -4.328 1.00 0.00 C ATOM 1146 C GLN A 75 4.299 -0.061 -4.334 1.00 0.00 C ATOM 1147 O GLN A 75 4.237 1.037 -4.886 1.00 0.00 O ATOM 1148 CB GLN A 75 5.459 -2.088 -5.229 1.00 0.00 C ATOM 1149 CG GLN A 75 6.701 -2.965 -5.257 1.00 0.00 C ATOM 1150 CD GLN A 75 7.673 -2.564 -6.349 1.00 0.00 C ATOM 1151 OE1 GLN A 75 7.386 -1.684 -7.160 1.00 0.00 O ATOM 1152 NE2 GLN A 75 8.833 -3.211 -6.375 1.00 0.00 N ATOM 0 H GLN A 75 6.224 -2.242 -2.881 1.00 0.00 H new ATOM 0 HA GLN A 75 6.396 -0.225 -4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.611 -2.683 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.233 -1.760 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.203 -2.909 -4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.405 -4.004 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.029 -3.934 -5.683 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.527 -2.985 -7.087 1.00 0.00 H new ATOM 1161 N MET A 76 3.263 -0.620 -3.717 1.00 0.00 N ATOM 1162 CA MET A 76 1.965 0.041 -3.651 1.00 0.00 C ATOM 1163 C MET A 76 2.092 1.427 -3.027 1.00 0.00 C ATOM 1164 O MET A 76 1.439 2.375 -3.461 1.00 0.00 O ATOM 1165 CB MET A 76 0.978 -0.805 -2.845 1.00 0.00 C ATOM 1166 CG MET A 76 0.428 -1.995 -3.615 1.00 0.00 C ATOM 1167 SD MET A 76 -1.085 -2.654 -2.888 1.00 0.00 S ATOM 1168 CE MET A 76 -0.506 -3.109 -1.255 1.00 0.00 C ATOM 0 H MET A 76 3.297 -1.529 -3.256 1.00 0.00 H new ATOM 0 HA MET A 76 1.590 0.153 -4.668 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.472 -1.164 -1.942 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.148 -0.175 -2.525 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.232 -1.697 -4.645 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.182 -2.781 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.355 -3.400 -0.636 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.188 -3.945 -1.335 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.001 -2.259 -0.799 1.00 0.00 H new ATOM 1178 N ALA A 77 2.937 1.537 -2.007 1.00 0.00 N ATOM 1179 CA ALA A 77 3.150 2.807 -1.325 1.00 0.00 C ATOM 1180 C ALA A 77 3.610 3.884 -2.302 1.00 0.00 C ATOM 1181 O ALA A 77 2.918 4.881 -2.512 1.00 0.00 O ATOM 1182 CB ALA A 77 4.166 2.640 -0.204 1.00 0.00 C ATOM 0 H ALA A 77 3.485 0.761 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 77 2.200 3.125 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.316 3.596 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.798 1.908 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.113 2.296 -0.620 1.00 0.00 H new ATOM 1188 N ARG A 78 4.780 3.677 -2.896 1.00 0.00 N ATOM 1189 CA ARG A 78 5.333 4.632 -3.850 1.00 0.00 C ATOM 1190 C ARG A 78 4.271 5.075 -4.852 1.00 0.00 C ATOM 1191 O ARG A 78 4.113 6.267 -5.118 1.00 0.00 O ATOM 1192 CB ARG A 78 6.522 4.017 -4.589 1.00 0.00 C ATOM 1193 CG ARG A 78 7.633 3.541 -3.667 1.00 0.00 C ATOM 1194 CD ARG A 78 8.833 3.037 -4.454 1.00 0.00 C ATOM 1195 NE ARG A 78 9.613 4.132 -5.024 1.00 0.00 N ATOM 1196 CZ ARG A 78 10.866 4.001 -5.442 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.479 2.829 -5.355 1.00 0.00 N ATOM 1198 NH2 ARG A 78 11.510 5.045 -5.950 1.00 0.00 N ATOM 0 H ARG A 78 5.364 2.857 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 78 5.673 5.507 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.172 3.175 -5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.928 4.753 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.941 4.358 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.258 2.745 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.470 2.440 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.492 2.380 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 78 9.171 5.048 -5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.988 2.024 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.442 2.732 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.042 5.949 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.473 4.943 -6.271 1.00 0.00 H new ATOM 1212 N TYR A 79 3.546 4.109 -5.404 1.00 0.00 N ATOM 1213 CA TYR A 79 2.502 4.399 -6.380 1.00 0.00 C ATOM 1214 C TYR A 79 1.489 5.390 -5.814 1.00 0.00 C ATOM 1215 O TYR A 79 1.031 6.293 -6.513 1.00 0.00 O ATOM 1216 CB TYR A 79 1.792 3.110 -6.797 1.00 0.00 C ATOM 1217 CG TYR A 79 2.553 2.306 -7.828 1.00 0.00 C ATOM 1218 CD1 TYR A 79 3.902 2.021 -7.658 1.00 0.00 C ATOM 1219 CD2 TYR A 79 1.921 1.832 -8.971 1.00 0.00 C ATOM 1220 CE1 TYR A 79 4.600 1.288 -8.598 1.00 0.00 C ATOM 1221 CE2 TYR A 79 2.611 1.097 -9.915 1.00 0.00 C ATOM 1222 CZ TYR A 79 3.951 0.828 -9.725 1.00 0.00 C ATOM 1223 OH TYR A 79 4.643 0.096 -10.662 1.00 0.00 O ATOM 0 H TYR A 79 3.662 3.118 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 79 2.972 4.846 -7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.630 2.492 -5.914 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.809 3.359 -7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.413 2.378 -6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.873 2.042 -9.124 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.649 1.076 -8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.104 0.735 -10.797 1.00 0.00 H new ATOM 0 HH TYR A 79 4.040 -0.152 -11.394 1.00 0.00 H new ATOM 1233 N GLY A 80 1.145 5.214 -4.542 1.00 0.00 N ATOM 1234 CA GLY A 80 0.190 6.100 -3.903 1.00 0.00 C ATOM 1235 C GLY A 80 -1.230 5.576 -3.982 1.00 0.00 C ATOM 1236 O GLY A 80 -2.143 6.296 -4.385 1.00 0.00 O ATOM 0 H GLY A 80 1.511 4.474 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.467 6.234 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.238 7.082 -4.374 1.00 0.00 H new ATOM 1240 N GLN A 81 -1.417 4.317 -3.597 1.00 0.00 N ATOM 1241 CA GLN A 81 -2.736 3.697 -3.629 1.00 0.00 C ATOM 1242 C GLN A 81 -3.263 3.467 -2.217 1.00 0.00 C ATOM 1243 O GLN A 81 -4.445 3.681 -1.942 1.00 0.00 O ATOM 1244 CB GLN A 81 -2.680 2.369 -4.388 1.00 0.00 C ATOM 1245 CG GLN A 81 -2.245 2.515 -5.837 1.00 0.00 C ATOM 1246 CD GLN A 81 -3.171 3.409 -6.638 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -4.394 3.279 -6.566 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -2.593 4.325 -7.406 1.00 0.00 N ATOM 0 H GLN A 81 -0.672 3.707 -3.260 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.416 4.374 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.991 1.696 -3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.664 1.901 -4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.235 2.923 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.206 1.530 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.576 4.398 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.166 4.956 -7.966 1.00 0.00 H new ATOM 1257 N LEU A 82 -2.381 3.029 -1.325 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.758 2.770 0.060 1.00 0.00 C ATOM 1259 C LEU A 82 -3.185 4.057 0.759 1.00 0.00 C ATOM 1260 O LEU A 82 -2.356 4.779 1.311 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.593 2.129 0.815 1.00 0.00 C ATOM 1262 CG LEU A 82 -1.019 0.850 0.203 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.398 0.609 0.701 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.909 -0.341 0.525 1.00 0.00 C ATOM 0 H LEU A 82 -1.400 2.846 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.604 2.082 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.790 2.862 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.922 1.906 1.830 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.986 0.971 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.790 -0.305 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.031 1.451 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.390 0.509 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.485 -1.242 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.974 -0.465 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.906 -0.171 0.118 1.00 0.00 H new ATOM 1276 N SER A 83 -4.484 4.336 0.732 1.00 0.00 N ATOM 1277 CA SER A 83 -5.021 5.537 1.361 1.00 0.00 C ATOM 1278 C SER A 83 -4.772 5.519 2.866 1.00 0.00 C ATOM 1279 O SER A 83 -4.295 6.499 3.438 1.00 0.00 O ATOM 1280 CB SER A 83 -6.521 5.657 1.082 1.00 0.00 C ATOM 1281 OG SER A 83 -6.787 5.598 -0.309 1.00 0.00 O ATOM 0 H SER A 83 -5.184 3.747 0.281 1.00 0.00 H new ATOM 0 HA SER A 83 -4.509 6.400 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.054 4.855 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.896 6.597 1.488 1.00 0.00 H new ATOM 0 HG SER A 83 -7.752 5.675 -0.461 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.099 4.397 3.500 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.912 4.252 4.939 1.00 0.00 C ATOM 1289 C GLU A 84 -4.066 3.022 5.256 1.00 0.00 C ATOM 1290 O GLU A 84 -3.877 2.149 4.409 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.266 4.149 5.644 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.117 2.987 5.162 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.511 2.997 5.758 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -8.665 2.556 6.916 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.448 3.446 5.066 1.00 0.00 O ATOM 0 H GLU A 84 -5.494 3.576 3.041 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.388 5.136 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.101 4.047 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.816 5.078 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.191 3.022 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.623 2.050 5.418 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.559 2.960 6.483 1.00 0.00 N ATOM 1303 CA LYS A 85 -2.734 1.838 6.915 1.00 0.00 C ATOM 1304 C LYS A 85 -3.479 0.518 6.744 1.00 0.00 C ATOM 1305 O LYS A 85 -4.534 0.307 7.344 1.00 0.00 O ATOM 1306 CB LYS A 85 -2.319 2.017 8.376 1.00 0.00 C ATOM 1307 CG LYS A 85 -1.528 3.288 8.633 1.00 0.00 C ATOM 1308 CD LYS A 85 -1.333 3.533 10.120 1.00 0.00 C ATOM 1309 CE LYS A 85 -0.495 4.777 10.375 1.00 0.00 C ATOM 1310 NZ LYS A 85 -0.387 5.084 11.828 1.00 0.00 N ATOM 0 H LYS A 85 -3.705 3.674 7.196 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.841 1.814 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.212 2.023 9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.721 1.159 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.556 3.218 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.047 4.137 8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.304 3.642 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.848 2.668 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.502 4.635 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.939 5.627 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.191 5.938 11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.337 5.245 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.060 4.284 12.320 1.00 0.00 H new ATOM 1324 N VAL A 86 -2.923 -0.369 5.925 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.534 -1.670 5.678 1.00 0.00 C ATOM 1326 C VAL A 86 -3.818 -2.400 6.986 1.00 0.00 C ATOM 1327 O VAL A 86 -2.940 -2.532 7.839 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.634 -2.554 4.794 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.181 -3.971 4.723 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.502 -1.954 3.402 1.00 0.00 C ATOM 0 H VAL A 86 -2.050 -0.211 5.421 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.473 -1.485 5.157 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.642 -2.596 5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.532 -4.580 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.219 -4.397 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.185 -3.953 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.863 -2.591 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.488 -1.881 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.061 -0.960 3.475 1.00 0.00 H new ATOM 1340 N SER A 87 -5.050 -2.875 7.137 1.00 0.00 N ATOM 1341 CA SER A 87 -5.451 -3.590 8.343 1.00 0.00 C ATOM 1342 C SER A 87 -5.375 -5.099 8.130 1.00 0.00 C ATOM 1343 O SER A 87 -5.295 -5.573 6.997 1.00 0.00 O ATOM 1344 CB SER A 87 -6.871 -3.192 8.749 1.00 0.00 C ATOM 1345 OG SER A 87 -7.121 -3.509 10.107 1.00 0.00 O ATOM 0 H SER A 87 -5.788 -2.778 6.439 1.00 0.00 H new ATOM 0 HA SER A 87 -4.762 -3.318 9.143 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.012 -2.123 8.590 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.592 -3.706 8.114 1.00 0.00 H new ATOM 0 HG SER A 87 -8.034 -3.243 10.342 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.401 -5.848 9.228 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.334 -7.303 9.162 1.00 0.00 C ATOM 1353 C GLU A 88 -6.052 -7.824 7.921 1.00 0.00 C ATOM 1354 O GLU A 88 -5.467 -8.539 7.108 1.00 0.00 O ATOM 1355 CB GLU A 88 -5.950 -7.921 10.419 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.353 -9.269 10.789 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.191 -10.018 11.807 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.429 -10.052 11.649 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -5.607 -10.570 12.764 1.00 0.00 O ATOM 0 H GLU A 88 -5.468 -5.471 10.173 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.285 -7.591 9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.818 -7.233 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.023 -8.037 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.252 -9.877 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.350 -9.121 11.188 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.324 -7.462 7.784 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.122 -7.895 6.643 1.00 0.00 C ATOM 1368 C GLN A 89 -7.363 -7.685 5.337 1.00 0.00 C ATOM 1369 O GLN A 89 -7.133 -8.629 4.582 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.448 -7.134 6.604 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.456 -7.614 7.636 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.569 -6.613 7.874 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.387 -6.355 6.990 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -11.608 -6.044 9.073 1.00 0.00 N ATOM 0 H GLN A 89 -7.823 -6.871 8.448 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.325 -8.960 6.756 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.254 -6.074 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.884 -7.231 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.887 -8.559 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.942 -7.810 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.910 -6.287 9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.336 -5.364 9.291 1.00 0.00 H new ATOM 1383 N GLY A 90 -6.977 -6.439 5.076 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.248 -6.128 3.860 1.00 0.00 C ATOM 1385 C GLY A 90 -5.031 -7.011 3.671 1.00 0.00 C ATOM 1386 O GLY A 90 -4.837 -7.594 2.604 1.00 0.00 O ATOM 0 H GLY A 90 -7.156 -5.640 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.912 -6.242 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.935 -5.084 3.885 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.207 -7.109 4.709 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.000 -7.927 4.653 1.00 0.00 C ATOM 1392 C LEU A 91 -3.319 -9.337 4.168 1.00 0.00 C ATOM 1393 O LEU A 91 -2.824 -9.773 3.128 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.336 -7.987 6.029 1.00 0.00 C ATOM 1395 CG LEU A 91 -0.888 -8.476 6.056 1.00 0.00 C ATOM 1396 CD1 LEU A 91 0.074 -7.306 5.917 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.609 -9.249 7.337 1.00 0.00 C ATOM 0 H LEU A 91 -4.353 -6.632 5.599 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.312 -7.466 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.370 -6.991 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.930 -8.639 6.669 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.736 -9.147 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.100 -7.674 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.109 -6.795 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.079 -6.609 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.427 -9.589 7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.779 -8.602 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.274 -10.111 7.394 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.150 -10.044 4.926 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.538 -11.404 4.572 1.00 0.00 C ATOM 1411 C ILE A 92 -4.753 -11.539 3.068 1.00 0.00 C ATOM 1412 O ILE A 92 -4.344 -12.528 2.460 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.824 -11.831 5.304 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.586 -11.874 6.815 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.296 -13.186 4.797 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.846 -11.683 7.630 1.00 0.00 C ATOM 0 H ILE A 92 -4.568 -9.698 5.790 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.721 -12.057 4.880 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.603 -11.097 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.135 -12.831 7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.868 -11.099 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.206 -13.475 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.500 -13.124 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.521 -13.931 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.603 -11.725 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.287 -10.714 7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.558 -12.473 7.390 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.397 -10.539 2.475 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.665 -10.547 1.042 1.00 0.00 C ATOM 1430 C GLU A 93 -4.367 -10.465 0.245 1.00 0.00 C ATOM 1431 O GLU A 93 -4.066 -11.344 -0.564 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.582 -9.381 0.665 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.019 -9.563 1.124 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.006 -8.795 0.268 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -8.671 -8.491 -0.896 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.115 -8.499 0.761 1.00 0.00 O ATOM 0 H GLU A 93 -5.743 -9.714 2.964 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.163 -11.485 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.185 -8.463 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.569 -9.255 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.272 -10.623 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.110 -9.235 2.160 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.602 -9.404 0.478 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.336 -9.208 -0.217 1.00 0.00 C ATOM 1445 C ILE A 94 -1.491 -10.477 -0.190 1.00 0.00 C ATOM 1446 O ILE A 94 -0.835 -10.820 -1.175 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.526 -8.053 0.403 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.303 -6.740 0.293 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.171 -7.932 -0.277 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.737 -5.629 1.149 1.00 0.00 C ATOM 0 H ILE A 94 -3.837 -8.667 1.143 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.579 -8.958 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.363 -8.269 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.310 -6.418 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.340 -6.916 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.389 -7.112 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.383 -8.862 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.313 -7.735 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.338 -4.729 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.755 -5.931 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.709 -5.425 0.848 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.513 -11.172 0.941 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.751 -12.406 1.096 1.00 0.00 C ATOM 1464 C LEU A 95 -1.028 -13.366 -0.056 1.00 0.00 C ATOM 1465 O LEU A 95 -0.146 -14.111 -0.484 1.00 0.00 O ATOM 1466 CB LEU A 95 -1.094 -13.077 2.427 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.369 -12.535 3.659 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.926 -13.165 4.927 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.128 -12.786 3.551 1.00 0.00 C ATOM 0 H LEU A 95 -2.050 -10.902 1.765 1.00 0.00 H new ATOM 0 HA LEU A 95 0.309 -12.152 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.167 -12.984 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.876 -14.141 2.341 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.534 -11.459 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.398 -12.767 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.988 -12.934 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.792 -14.246 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.628 -12.393 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.313 -13.858 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.518 -12.287 2.664 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.258 -13.341 -0.557 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.652 -14.205 -1.663 1.00 0.00 C ATOM 1483 C LYS A 96 -2.161 -13.645 -2.994 1.00 0.00 C ATOM 1484 O LYS A 96 -2.068 -14.366 -3.988 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.174 -14.365 -1.696 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.687 -15.488 -0.811 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.005 -14.993 0.590 1.00 0.00 C ATOM 1488 CE LYS A 96 -6.383 -14.353 0.655 1.00 0.00 C ATOM 1489 NZ LYS A 96 -6.792 -14.058 2.056 1.00 0.00 N ATOM 0 H LYS A 96 -3.000 -12.731 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.193 -15.181 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.636 -13.428 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.489 -14.550 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.582 -15.923 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.940 -16.280 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.956 -15.826 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.251 -14.270 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.383 -13.430 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.114 -15.018 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.229 -13.115 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.477 -14.772 2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.956 -14.080 2.674 1.00 0.00 H new ATOM 1503 N LYS A 97 -1.845 -12.354 -3.007 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.361 -11.696 -4.214 1.00 0.00 C ATOM 1505 C LYS A 97 0.155 -11.818 -4.329 1.00 0.00 C ATOM 1506 O LYS A 97 0.677 -12.259 -5.353 1.00 0.00 O ATOM 1507 CB LYS A 97 -1.765 -10.220 -4.213 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.214 -9.986 -4.602 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.169 -10.624 -3.607 1.00 0.00 C ATOM 1510 CE LYS A 97 -4.548 -12.036 -4.025 1.00 0.00 C ATOM 1511 NZ LYS A 97 -5.648 -12.041 -5.030 1.00 0.00 N ATOM 0 H LYS A 97 -1.916 -11.743 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.815 -12.190 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.593 -9.805 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.120 -9.675 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.408 -8.915 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.396 -10.396 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.706 -10.647 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.069 -10.015 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.674 -12.539 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.855 -12.604 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.877 -13.022 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.490 -11.584 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.346 -11.521 -5.878 1.00 0.00 H new ATOM 1525 N VAL A 98 0.858 -11.427 -3.271 1.00 0.00 N ATOM 1526 CA VAL A 98 2.315 -11.495 -3.252 1.00 0.00 C ATOM 1527 C VAL A 98 2.805 -12.875 -3.678 1.00 0.00 C ATOM 1528 O VAL A 98 3.819 -12.999 -4.364 1.00 0.00 O ATOM 1529 CB VAL A 98 2.874 -11.173 -1.854 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.998 -11.789 -0.773 1.00 0.00 C ATOM 1531 CG2 VAL A 98 4.310 -11.659 -1.730 1.00 0.00 C ATOM 0 H VAL A 98 0.442 -11.060 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 98 2.676 -10.749 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 98 2.868 -10.091 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.409 -11.551 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.988 -11.387 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.969 -12.871 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.689 -11.423 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.344 -12.737 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.927 -11.165 -2.480 1.00 0.00 H new