USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 540 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 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00012 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -117:sc= 1.07 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -34:sc= -1.46 USER MOD Single : A 79 LYS NZ :NH3+ 149:sc= -0.274 (180deg=-1.36!) USER MOD Single : A 80 ASN : amide:sc= 0.213 K(o=0.21,f=-4.6!) USER MOD Single : A 87 THR OG1 : rot 87:sc= 0.532 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0219 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 CYS SG : rot 150:sc= 0.0131 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-4.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.924 -5.331 8.986 1.00 0.00 N ATOM 522 CA LEU A 39 9.029 -4.187 9.107 1.00 0.00 C ATOM 523 C LEU A 39 8.328 -4.185 10.462 1.00 0.00 C ATOM 524 O LEU A 39 8.492 -5.109 11.258 1.00 0.00 O ATOM 525 CB LEU A 39 7.991 -4.204 7.984 1.00 0.00 C ATOM 526 CG LEU A 39 8.563 -4.063 6.572 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.524 -4.459 5.534 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.046 -2.641 6.332 1.00 0.00 C ATOM 0 HA LEU A 39 9.628 -3.280 9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.431 -5.137 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.280 -3.395 8.154 1.00 0.00 H new ATOM 0 HG LEU A 39 9.416 -4.735 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.948 -4.353 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.227 -5.496 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.651 -3.813 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.450 -2.559 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.212 -1.949 6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.824 -2.394 7.055 1.00 0.00 H new ATOM 540 N LYS A 40 7.545 -3.142 10.716 1.00 0.00 N ATOM 541 CA LYS A 40 6.818 -3.017 11.973 1.00 0.00 C ATOM 542 C LYS A 40 5.612 -2.098 11.815 1.00 0.00 C ATOM 543 O LYS A 40 5.626 -1.174 11.001 1.00 0.00 O ATOM 544 CB LYS A 40 7.742 -2.485 13.071 1.00 0.00 C ATOM 545 CG LYS A 40 8.344 -3.576 13.942 1.00 0.00 C ATOM 546 CD LYS A 40 9.305 -3.000 14.971 1.00 0.00 C ATOM 547 CE LYS A 40 9.169 -3.703 16.313 1.00 0.00 C ATOM 548 NZ LYS A 40 10.351 -3.465 17.187 1.00 0.00 N ATOM 0 H LYS A 40 7.398 -2.370 10.066 1.00 0.00 H new ATOM 0 HA LYS A 40 6.461 -4.007 12.258 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.548 -1.913 12.611 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.182 -1.795 13.703 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.547 -4.119 14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.870 -4.296 13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.329 -3.098 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.111 -1.935 15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.268 -3.352 16.817 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.047 -4.774 16.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.219 -3.961 18.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.207 -3.823 16.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.453 -2.445 17.363 1.00 0.00 H new ATOM 562 N ILE A 41 4.569 -2.357 12.597 1.00 0.00 N ATOM 563 CA ILE A 41 3.354 -1.552 12.541 1.00 0.00 C ATOM 564 C ILE A 41 3.593 -0.160 13.114 1.00 0.00 C ATOM 565 O ILE A 41 3.313 0.097 14.285 1.00 0.00 O ATOM 566 CB ILE A 41 2.201 -2.222 13.312 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.055 -3.685 12.885 1.00 0.00 C ATOM 568 CG2 ILE A 41 0.901 -1.466 13.084 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.819 -3.859 11.400 1.00 0.00 C ATOM 0 H ILE A 41 4.541 -3.117 13.276 1.00 0.00 H new ATOM 0 HA ILE A 41 3.077 -1.467 11.490 1.00 0.00 H new ATOM 0 HB ILE A 41 2.432 -2.195 14.377 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.956 -4.230 13.168 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.226 -4.134 13.432 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.096 -1.952 13.635 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.011 -0.439 13.433 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.663 -1.464 12.020 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.725 -4.920 11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.903 -3.343 11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.659 -3.440 10.846 1.00 0.00 H new ATOM 581 N GLY A 42 4.110 0.737 12.280 1.00 0.00 N ATOM 582 CA GLY A 42 4.377 2.093 12.722 1.00 0.00 C ATOM 583 C GLY A 42 5.427 2.783 11.872 1.00 0.00 C ATOM 584 O GLY A 42 5.422 4.007 11.740 1.00 0.00 O ATOM 0 H GLY A 42 4.349 0.549 11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.453 2.670 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.708 2.075 13.760 1.00 0.00 H new ATOM 588 N ASP A 43 6.331 1.997 11.296 1.00 0.00 N ATOM 589 CA ASP A 43 7.392 2.539 10.456 1.00 0.00 C ATOM 590 C ASP A 43 6.810 3.276 9.253 1.00 0.00 C ATOM 591 O ASP A 43 5.595 3.296 9.052 1.00 0.00 O ATOM 592 CB ASP A 43 8.321 1.418 9.985 1.00 0.00 C ATOM 593 CG ASP A 43 9.622 1.381 10.761 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.604 0.935 11.928 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.659 1.798 10.203 1.00 0.00 O ATOM 0 H ASP A 43 6.350 0.982 11.396 1.00 0.00 H new ATOM 0 HA ASP A 43 7.966 3.250 11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.812 0.460 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.537 1.550 8.925 1.00 0.00 H new ATOM 600 N ARG A 44 7.686 3.881 8.456 1.00 0.00 N ATOM 601 CA ARG A 44 7.260 4.619 7.272 1.00 0.00 C ATOM 602 C ARG A 44 7.752 3.935 6.000 1.00 0.00 C ATOM 603 O ARG A 44 8.955 3.809 5.777 1.00 0.00 O ATOM 604 CB ARG A 44 7.780 6.057 7.329 1.00 0.00 C ATOM 605 CG ARG A 44 6.700 7.083 7.638 1.00 0.00 C ATOM 606 CD ARG A 44 6.665 8.191 6.598 1.00 0.00 C ATOM 607 NE ARG A 44 5.961 9.375 7.082 1.00 0.00 N ATOM 608 CZ ARG A 44 6.500 10.276 7.900 1.00 0.00 C ATOM 609 NH1 ARG A 44 7.749 10.131 8.327 1.00 0.00 N ATOM 610 NH2 ARG A 44 5.790 11.324 8.293 1.00 0.00 N ATOM 0 H ARG A 44 8.694 3.875 8.609 1.00 0.00 H new ATOM 0 HA ARG A 44 6.170 4.636 7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.560 6.123 8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.243 6.305 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.729 6.589 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.878 7.514 8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.684 8.463 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.178 7.824 5.694 1.00 0.00 H new ATOM 0 HE ARG A 44 4.999 9.520 6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.300 9.326 8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.157 10.824 8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.830 11.440 7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.204 12.014 8.920 1.00 0.00 H new ATOM 624 N VAL A 45 6.812 3.495 5.170 1.00 0.00 N ATOM 625 CA VAL A 45 7.150 2.824 3.920 1.00 0.00 C ATOM 626 C VAL A 45 6.482 3.508 2.731 1.00 0.00 C ATOM 627 O VAL A 45 5.288 3.804 2.764 1.00 0.00 O ATOM 628 CB VAL A 45 6.731 1.342 3.947 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.652 0.542 4.855 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.282 1.205 4.389 1.00 0.00 C ATOM 0 H VAL A 45 5.811 3.591 5.340 1.00 0.00 H new ATOM 0 HA VAL A 45 8.233 2.886 3.810 1.00 0.00 H new ATOM 0 HB VAL A 45 6.818 0.941 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.340 -0.502 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.676 0.613 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.601 0.942 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.004 0.151 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.165 1.624 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.637 1.742 3.693 1.00 0.00 H new ATOM 640 N LEU A 46 7.262 3.757 1.684 1.00 0.00 N ATOM 641 CA LEU A 46 6.745 4.407 0.484 1.00 0.00 C ATOM 642 C LEU A 46 6.783 3.456 -0.708 1.00 0.00 C ATOM 643 O LEU A 46 7.648 2.585 -0.794 1.00 0.00 O ATOM 644 CB LEU A 46 7.556 5.668 0.174 1.00 0.00 C ATOM 645 CG LEU A 46 7.160 6.390 -1.116 1.00 0.00 C ATOM 646 CD1 LEU A 46 7.139 7.896 -0.904 1.00 0.00 C ATOM 647 CD2 LEU A 46 8.111 6.023 -2.247 1.00 0.00 C ATOM 0 H LEU A 46 8.253 3.519 1.642 1.00 0.00 H new ATOM 0 HA LEU A 46 5.708 4.687 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.453 6.362 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.610 5.398 0.113 1.00 0.00 H new ATOM 0 HG LEU A 46 6.156 6.070 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.855 8.390 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.417 8.144 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.130 8.235 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.814 6.546 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.126 6.313 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.074 4.947 -2.419 1.00 0.00 H new ATOM 659 N VAL A 47 5.839 3.632 -1.627 1.00 0.00 N ATOM 660 CA VAL A 47 5.763 2.792 -2.816 1.00 0.00 C ATOM 661 C VAL A 47 5.603 3.638 -4.076 1.00 0.00 C ATOM 662 O VAL A 47 4.849 4.611 -4.090 1.00 0.00 O ATOM 663 CB VAL A 47 4.593 1.793 -2.723 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.265 2.527 -2.619 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.597 0.849 -3.918 1.00 0.00 C ATOM 0 H VAL A 47 5.116 4.349 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 47 6.699 2.236 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 47 4.723 1.198 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.453 1.803 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.264 3.153 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.125 3.152 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.764 0.152 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.496 1.426 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.534 0.293 -3.939 1.00 0.00 H new ATOM 675 N GLY A 48 6.318 3.261 -5.131 1.00 0.00 N ATOM 676 CA GLY A 48 6.242 3.997 -6.379 1.00 0.00 C ATOM 677 C GLY A 48 7.175 5.192 -6.404 1.00 0.00 C ATOM 678 O GLY A 48 8.018 5.311 -7.293 1.00 0.00 O ATOM 0 H GLY A 48 6.948 2.459 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.487 3.331 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.218 4.336 -6.536 1.00 0.00 H new ATOM 682 N GLY A 49 7.024 6.076 -5.424 1.00 0.00 N ATOM 683 CA GLY A 49 7.868 7.256 -5.351 1.00 0.00 C ATOM 684 C GLY A 49 7.067 8.535 -5.208 1.00 0.00 C ATOM 685 O GLY A 49 7.411 9.560 -5.796 1.00 0.00 O ATOM 0 H GLY A 49 6.332 5.997 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.548 7.160 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.483 7.315 -6.249 1.00 0.00 H new ATOM 689 N THR A 50 5.995 8.476 -4.424 1.00 0.00 N ATOM 690 CA THR A 50 5.140 9.638 -4.203 1.00 0.00 C ATOM 691 C THR A 50 4.114 9.357 -3.111 1.00 0.00 C ATOM 692 O THR A 50 3.844 10.209 -2.265 1.00 0.00 O ATOM 693 CB THR A 50 4.427 10.031 -5.499 1.00 0.00 C ATOM 694 OG1 THR A 50 4.218 8.896 -6.321 1.00 0.00 O ATOM 695 CG2 THR A 50 5.186 11.055 -6.314 1.00 0.00 C ATOM 0 H THR A 50 5.697 7.635 -3.930 1.00 0.00 H new ATOM 0 HA THR A 50 5.772 10.465 -3.881 1.00 0.00 H new ATOM 0 HB THR A 50 3.480 10.471 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.760 9.168 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.625 11.288 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.319 11.963 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.162 10.653 -6.586 1.00 0.00 H new ATOM 703 N LYS A 51 3.545 8.155 -3.136 1.00 0.00 N ATOM 704 CA LYS A 51 2.547 7.761 -2.149 1.00 0.00 C ATOM 705 C LYS A 51 3.208 7.123 -0.931 1.00 0.00 C ATOM 706 O LYS A 51 3.782 6.037 -1.022 1.00 0.00 O ATOM 707 CB LYS A 51 1.543 6.788 -2.768 1.00 0.00 C ATOM 708 CG LYS A 51 0.881 7.317 -4.030 1.00 0.00 C ATOM 709 CD LYS A 51 -0.055 6.288 -4.644 1.00 0.00 C ATOM 710 CE LYS A 51 -1.514 6.657 -4.426 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.426 5.835 -5.267 1.00 0.00 N ATOM 0 H LYS A 51 3.759 7.438 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 51 2.019 8.658 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.052 5.852 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.772 6.558 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.323 8.224 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.647 7.592 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.144 6.206 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.142 5.309 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.769 6.522 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.660 7.712 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.411 6.117 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.200 5.983 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.306 4.830 -5.029 1.00 0.00 H new ATOM 725 N ALA A 52 3.123 7.803 0.207 1.00 0.00 N ATOM 726 CA ALA A 52 3.712 7.301 1.443 1.00 0.00 C ATOM 727 C ALA A 52 2.635 6.953 2.463 1.00 0.00 C ATOM 728 O ALA A 52 1.504 7.431 2.376 1.00 0.00 O ATOM 729 CB ALA A 52 4.677 8.327 2.021 1.00 0.00 C ATOM 0 H ALA A 52 2.652 8.703 0.299 1.00 0.00 H new ATOM 0 HA ALA A 52 4.263 6.389 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.110 7.940 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.472 8.524 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.141 9.252 2.232 1.00 0.00 H new ATOM 735 N GLY A 53 2.992 6.114 3.431 1.00 0.00 N ATOM 736 CA GLY A 53 2.045 5.715 4.454 1.00 0.00 C ATOM 737 C GLY A 53 2.710 5.004 5.617 1.00 0.00 C ATOM 738 O GLY A 53 3.914 4.746 5.587 1.00 0.00 O ATOM 0 H GLY A 53 3.921 5.704 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.521 6.597 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.294 5.059 4.013 1.00 0.00 H new ATOM 742 N VAL A 54 1.927 4.688 6.643 1.00 0.00 N ATOM 743 CA VAL A 54 2.448 4.004 7.819 1.00 0.00 C ATOM 744 C VAL A 54 1.936 2.569 7.892 1.00 0.00 C ATOM 745 O VAL A 54 0.749 2.312 7.689 1.00 0.00 O ATOM 746 CB VAL A 54 2.061 4.742 9.116 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.772 4.130 10.312 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.377 6.225 9.000 1.00 0.00 C ATOM 0 H VAL A 54 0.929 4.895 6.683 1.00 0.00 H new ATOM 0 HA VAL A 54 3.534 3.995 7.725 1.00 0.00 H new ATOM 0 HB VAL A 54 0.987 4.633 9.268 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.486 4.664 11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.490 3.081 10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.850 4.205 10.172 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.097 6.730 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.444 6.357 8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.816 6.653 8.169 1.00 0.00 H new ATOM 758 N VAL A 55 2.839 1.638 8.183 1.00 0.00 N ATOM 759 CA VAL A 55 2.479 0.229 8.281 1.00 0.00 C ATOM 760 C VAL A 55 1.460 -0.001 9.393 1.00 0.00 C ATOM 761 O VAL A 55 1.761 0.184 10.573 1.00 0.00 O ATOM 762 CB VAL A 55 3.716 -0.650 8.544 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.354 -2.125 8.445 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.834 -0.303 7.574 1.00 0.00 C ATOM 0 H VAL A 55 3.825 1.834 8.355 1.00 0.00 H new ATOM 0 HA VAL A 55 2.040 -0.053 7.324 1.00 0.00 H new ATOM 0 HB VAL A 55 4.070 -0.453 9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.240 -2.731 8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.588 -2.362 9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.974 -2.340 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.699 -0.934 7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.494 -0.469 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.112 0.744 7.698 1.00 0.00 H new ATOM 774 N ARG A 56 0.255 -0.407 9.009 1.00 0.00 N ATOM 775 CA ARG A 56 -0.809 -0.664 9.974 1.00 0.00 C ATOM 776 C ARG A 56 -0.996 -2.162 10.190 1.00 0.00 C ATOM 777 O ARG A 56 -0.971 -2.643 11.323 1.00 0.00 O ATOM 778 CB ARG A 56 -2.121 -0.038 9.496 1.00 0.00 C ATOM 779 CG ARG A 56 -2.149 1.477 9.609 1.00 0.00 C ATOM 780 CD ARG A 56 -2.394 1.926 11.040 1.00 0.00 C ATOM 781 NE ARG A 56 -1.710 3.181 11.345 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.581 3.675 12.574 1.00 0.00 C ATOM 783 NH1 ARG A 56 -2.087 3.026 13.615 1.00 0.00 N ATOM 784 NH2 ARG A 56 -0.944 4.823 12.763 1.00 0.00 N ATOM 0 H ARG A 56 -0.010 -0.565 8.037 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.523 -0.211 10.923 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.291 -0.320 8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.945 -0.453 10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.203 1.886 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.931 1.876 8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.465 2.048 11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.053 1.151 11.726 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.308 3.709 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.578 2.143 13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.985 3.410 14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.553 5.327 11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.845 5.202 13.705 1.00 0.00 H new ATOM 798 N PHE A 57 -1.184 -2.894 9.097 1.00 0.00 N ATOM 799 CA PHE A 57 -1.377 -4.339 9.167 1.00 0.00 C ATOM 800 C PHE A 57 -0.252 -5.073 8.444 1.00 0.00 C ATOM 801 O PHE A 57 0.297 -4.576 7.461 1.00 0.00 O ATOM 802 CB PHE A 57 -2.725 -4.722 8.556 1.00 0.00 C ATOM 803 CG PHE A 57 -3.031 -6.190 8.647 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.606 -7.062 7.659 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.745 -6.697 9.721 1.00 0.00 C ATOM 806 CE1 PHE A 57 -2.886 -8.413 7.739 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.029 -8.047 9.807 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.598 -8.906 8.815 1.00 0.00 C ATOM 0 H PHE A 57 -1.207 -2.511 8.152 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.363 -4.633 10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.514 -4.163 9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.738 -4.421 7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.049 -6.682 6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.083 -6.030 10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.549 -9.082 6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.587 -8.430 10.649 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.817 -9.961 8.881 1.00 0.00 H new ATOM 818 N LEU A 58 0.086 -6.260 8.939 1.00 0.00 N ATOM 819 CA LEU A 58 1.146 -7.063 8.341 1.00 0.00 C ATOM 820 C LEU A 58 0.785 -8.545 8.368 1.00 0.00 C ATOM 821 O LEU A 58 0.612 -9.133 9.435 1.00 0.00 O ATOM 822 CB LEU A 58 2.468 -6.835 9.076 1.00 0.00 C ATOM 823 CG LEU A 58 3.682 -7.528 8.457 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.908 -7.037 7.036 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.921 -7.294 9.308 1.00 0.00 C ATOM 0 H LEU A 58 -0.359 -6.686 9.752 1.00 0.00 H new ATOM 0 HA LEU A 58 1.260 -6.752 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.663 -5.763 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.358 -7.179 10.104 1.00 0.00 H new ATOM 0 HG LEU A 58 3.487 -8.600 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.776 -7.541 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.028 -7.257 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.082 -5.961 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.775 -7.795 8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.120 -6.224 9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.757 -7.695 10.308 1.00 0.00 H new ATOM 837 N GLY A 59 0.675 -9.145 7.186 1.00 0.00 N ATOM 838 CA GLY A 59 0.335 -10.552 7.098 1.00 0.00 C ATOM 839 C GLY A 59 0.113 -11.007 5.669 1.00 0.00 C ATOM 840 O GLY A 59 0.982 -10.838 4.814 1.00 0.00 O ATOM 0 H GLY A 59 0.815 -8.681 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.134 -11.144 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.566 -10.742 7.681 1.00 0.00 H new ATOM 844 N GLU A 60 -1.055 -11.587 5.410 1.00 0.00 N ATOM 845 CA GLU A 60 -1.390 -12.068 4.074 1.00 0.00 C ATOM 846 C GLU A 60 -2.763 -11.563 3.643 1.00 0.00 C ATOM 847 O GLU A 60 -3.687 -11.477 4.452 1.00 0.00 O ATOM 848 CB GLU A 60 -1.361 -13.597 4.039 1.00 0.00 C ATOM 849 CG GLU A 60 -0.006 -14.173 3.665 1.00 0.00 C ATOM 850 CD GLU A 60 0.046 -15.682 3.803 1.00 0.00 C ATOM 851 OE1 GLU A 60 -0.941 -16.345 3.421 1.00 0.00 O ATOM 852 OE2 GLU A 60 1.071 -16.198 4.293 1.00 0.00 O ATOM 0 H GLU A 60 -1.785 -11.735 6.107 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.646 -11.681 3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.651 -13.980 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.106 -13.950 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.230 -13.898 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.761 -13.728 4.298 1.00 0.00 H new ATOM 859 N THR A 61 -2.890 -11.230 2.362 1.00 0.00 N ATOM 860 CA THR A 61 -4.150 -10.734 1.823 1.00 0.00 C ATOM 861 C THR A 61 -5.091 -11.887 1.491 1.00 0.00 C ATOM 862 O THR A 61 -4.709 -13.055 1.570 1.00 0.00 O ATOM 863 CB THR A 61 -3.896 -9.891 0.572 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.826 -10.427 -0.185 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.562 -8.448 0.881 1.00 0.00 C ATOM 0 H THR A 61 -2.135 -11.295 1.679 1.00 0.00 H new ATOM 0 HA THR A 61 -4.622 -10.111 2.583 1.00 0.00 H new ATOM 0 HB THR A 61 -4.830 -9.919 0.010 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.091 -9.779 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.394 -7.906 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.390 -7.991 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.661 -8.406 1.493 1.00 0.00 H new ATOM 873 N ASP A 62 -6.321 -11.552 1.118 1.00 0.00 N ATOM 874 CA ASP A 62 -7.318 -12.561 0.773 1.00 0.00 C ATOM 875 C ASP A 62 -7.740 -12.431 -0.687 1.00 0.00 C ATOM 876 O ASP A 62 -8.875 -12.747 -1.046 1.00 0.00 O ATOM 877 CB ASP A 62 -8.540 -12.432 1.685 1.00 0.00 C ATOM 878 CG ASP A 62 -8.474 -13.370 2.874 1.00 0.00 C ATOM 879 OD1 ASP A 62 -7.576 -13.190 3.723 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.321 -14.284 2.957 1.00 0.00 O ATOM 0 H ASP A 62 -6.653 -10.590 1.047 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.870 -13.544 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.618 -11.404 2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.443 -12.641 1.111 1.00 0.00 H new ATOM 885 N PHE A 63 -6.821 -11.965 -1.526 1.00 0.00 N ATOM 886 CA PHE A 63 -7.099 -11.795 -2.948 1.00 0.00 C ATOM 887 C PHE A 63 -5.874 -12.140 -3.789 1.00 0.00 C ATOM 888 O PHE A 63 -5.974 -12.861 -4.781 1.00 0.00 O ATOM 889 CB PHE A 63 -7.542 -10.359 -3.234 1.00 0.00 C ATOM 890 CG PHE A 63 -6.614 -9.321 -2.671 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.541 -8.854 -3.414 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.814 -8.811 -1.397 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.686 -7.898 -2.899 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.962 -7.855 -0.877 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.897 -7.398 -1.628 1.00 0.00 C ATOM 0 H PHE A 63 -5.877 -11.698 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.905 -12.477 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.619 -10.219 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.539 -10.206 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.371 -9.242 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.645 -9.165 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.854 -7.542 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.129 -7.465 0.116 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.230 -6.651 -1.223 1.00 0.00 H new ATOM 905 N ALA A 64 -4.719 -11.620 -3.384 1.00 0.00 N ATOM 906 CA ALA A 64 -3.475 -11.873 -4.102 1.00 0.00 C ATOM 907 C ALA A 64 -2.546 -12.767 -3.289 1.00 0.00 C ATOM 908 O ALA A 64 -2.375 -12.572 -2.085 1.00 0.00 O ATOM 909 CB ALA A 64 -2.785 -10.559 -4.437 1.00 0.00 C ATOM 0 H ALA A 64 -4.619 -11.022 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.717 -12.392 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.858 -10.761 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.441 -9.953 -5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.562 -10.020 -3.516 1.00 0.00 H new ATOM 915 N LYS A 65 -1.949 -13.751 -3.954 1.00 0.00 N ATOM 916 CA LYS A 65 -1.036 -14.676 -3.292 1.00 0.00 C ATOM 917 C LYS A 65 0.205 -13.946 -2.788 1.00 0.00 C ATOM 918 O LYS A 65 0.422 -12.777 -3.105 1.00 0.00 O ATOM 919 CB LYS A 65 -0.633 -15.801 -4.251 1.00 0.00 C ATOM 920 CG LYS A 65 -1.237 -17.148 -3.894 1.00 0.00 C ATOM 921 CD LYS A 65 -2.692 -17.242 -4.328 1.00 0.00 C ATOM 922 CE LYS A 65 -3.575 -17.791 -3.217 1.00 0.00 C ATOM 923 NZ LYS A 65 -4.399 -16.724 -2.584 1.00 0.00 N ATOM 0 H LYS A 65 -2.081 -13.928 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.551 -15.109 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.938 -15.532 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.453 -15.889 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.663 -17.943 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.167 -17.305 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.049 -16.255 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.770 -17.884 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.229 -18.563 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.952 -18.266 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.986 -17.139 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.775 -16.000 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.012 -16.288 -3.301 1.00 0.00 H new ATOM 937 N GLY A 66 1.016 -14.644 -1.999 1.00 0.00 N ATOM 938 CA GLY A 66 2.223 -14.046 -1.462 1.00 0.00 C ATOM 939 C GLY A 66 1.947 -13.162 -0.262 1.00 0.00 C ATOM 940 O GLY A 66 0.803 -13.038 0.176 1.00 0.00 O ATOM 0 H GLY A 66 0.858 -15.613 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.919 -14.834 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.710 -13.457 -2.239 1.00 0.00 H new ATOM 944 N GLU A 67 2.997 -12.547 0.274 1.00 0.00 N ATOM 945 CA GLU A 67 2.861 -11.672 1.432 1.00 0.00 C ATOM 946 C GLU A 67 2.511 -10.251 1.001 1.00 0.00 C ATOM 947 O GLU A 67 3.034 -9.746 0.007 1.00 0.00 O ATOM 948 CB GLU A 67 4.154 -11.668 2.249 1.00 0.00 C ATOM 949 CG GLU A 67 3.922 -11.661 3.752 1.00 0.00 C ATOM 950 CD GLU A 67 5.195 -11.408 4.537 1.00 0.00 C ATOM 951 OE1 GLU A 67 6.243 -11.979 4.168 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.144 -10.640 5.520 1.00 0.00 O ATOM 0 H GLU A 67 3.951 -12.639 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 67 2.050 -12.054 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.744 -12.545 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.744 -10.793 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.188 -10.894 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.497 -12.618 4.055 1.00 0.00 H new ATOM 959 N TRP A 68 1.622 -9.612 1.756 1.00 0.00 N ATOM 960 CA TRP A 68 1.203 -8.249 1.452 1.00 0.00 C ATOM 961 C TRP A 68 1.186 -7.392 2.714 1.00 0.00 C ATOM 962 O TRP A 68 0.476 -7.693 3.672 1.00 0.00 O ATOM 963 CB TRP A 68 -0.184 -8.252 0.805 1.00 0.00 C ATOM 964 CG TRP A 68 -0.166 -8.665 -0.635 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.176 -9.891 -1.131 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.503 -7.853 -1.765 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.072 -9.890 -2.501 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.344 -8.651 -2.914 1.00 0.00 C ATOM 969 CE3 TRP A 68 -0.925 -6.530 -1.917 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.591 -8.168 -4.196 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.170 -6.051 -3.191 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.004 -6.868 -4.315 1.00 0.00 C ATOM 0 H TRP A 68 1.179 -10.016 2.581 1.00 0.00 H new ATOM 0 HA TRP A 68 1.922 -7.821 0.753 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.835 -8.927 1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.616 -7.255 0.884 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.483 -10.737 -0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.272 -10.682 -3.111 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.058 -5.893 -1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.462 -8.796 -5.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.495 -5.029 -3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.206 -6.465 -5.296 1.00 0.00 H new ATOM 983 N CYS A 69 1.975 -6.322 2.706 1.00 0.00 N ATOM 984 CA CYS A 69 2.052 -5.421 3.849 1.00 0.00 C ATOM 985 C CYS A 69 0.986 -4.334 3.760 1.00 0.00 C ATOM 986 O CYS A 69 1.023 -3.486 2.866 1.00 0.00 O ATOM 987 CB CYS A 69 3.440 -4.783 3.931 1.00 0.00 C ATOM 988 SG CYS A 69 3.665 -3.682 5.346 1.00 0.00 S ATOM 0 H CYS A 69 2.570 -6.058 1.920 1.00 0.00 H new ATOM 0 HA CYS A 69 1.874 -6.006 4.751 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.189 -5.574 3.977 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.625 -4.222 3.015 1.00 0.00 H new ATOM 0 HG CYS A 69 2.545 -3.074 5.605 1.00 0.00 H new ATOM 994 N GLY A 70 0.038 -4.363 4.689 1.00 0.00 N ATOM 995 CA GLY A 70 -1.025 -3.374 4.697 1.00 0.00 C ATOM 996 C GLY A 70 -0.575 -2.044 5.270 1.00 0.00 C ATOM 997 O GLY A 70 -0.529 -1.870 6.488 1.00 0.00 O ATOM 0 H GLY A 70 -0.014 -5.054 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.386 -3.224 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.865 -3.752 5.280 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.240 -1.106 4.390 1.00 0.00 N ATOM 1002 CA VAL A 71 0.210 0.214 4.816 1.00 0.00 C ATOM 1003 C VAL A 71 -0.865 1.267 4.571 1.00 0.00 C ATOM 1004 O VAL A 71 -1.543 1.249 3.543 1.00 0.00 O ATOM 1005 CB VAL A 71 1.497 0.632 4.081 1.00 0.00 C ATOM 1006 CG1 VAL A 71 2.064 1.910 4.680 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.525 -0.488 4.123 1.00 0.00 C ATOM 0 H VAL A 71 -0.272 -1.235 3.379 1.00 0.00 H new ATOM 0 HA VAL A 71 0.414 0.149 5.885 1.00 0.00 H new ATOM 0 HB VAL A 71 1.250 0.827 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.973 2.189 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.330 2.711 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.296 1.747 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.427 -0.174 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.770 -0.719 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.116 -1.376 3.641 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.017 2.182 5.522 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.010 3.245 5.409 1.00 0.00 C ATOM 1019 C GLU A 72 -1.375 4.530 4.889 1.00 0.00 C ATOM 1020 O GLU A 72 -0.428 5.050 5.481 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.669 3.500 6.765 1.00 0.00 C ATOM 1022 CG GLU A 72 -3.750 4.569 6.724 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.553 5.641 7.778 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -2.904 5.352 8.805 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.046 6.771 7.575 1.00 0.00 O ATOM 0 H GLU A 72 -0.466 2.209 6.380 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.771 2.924 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.104 2.569 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.903 3.796 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.760 5.033 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.724 4.101 6.866 1.00 0.00 H new ATOM 1032 N LEU A 73 -1.899 5.036 3.778 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.383 6.260 3.178 1.00 0.00 C ATOM 1034 C LEU A 73 -1.752 7.478 4.020 1.00 0.00 C ATOM 1035 O LEU A 73 -2.810 7.511 4.649 1.00 0.00 O ATOM 1036 CB LEU A 73 -1.925 6.426 1.756 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.901 5.159 0.900 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.481 5.437 -0.478 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.484 4.619 0.785 1.00 0.00 C ATOM 0 H LEU A 73 -2.681 4.617 3.275 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.296 6.184 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.952 6.786 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.345 7.198 1.251 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.517 4.403 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.456 4.525 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.512 5.777 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.891 6.209 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.487 3.717 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.155 5.371 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.103 4.381 1.778 1.00 0.00 H new ATOM 1051 N ASP A 74 -0.874 8.475 4.027 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.108 9.694 4.791 1.00 0.00 C ATOM 1053 C ASP A 74 -2.110 10.598 4.080 1.00 0.00 C ATOM 1054 O ASP A 74 -2.912 11.277 4.721 1.00 0.00 O ATOM 1055 CB ASP A 74 0.207 10.445 5.010 1.00 0.00 C ATOM 1056 CG ASP A 74 0.289 11.078 6.386 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -0.218 10.469 7.351 1.00 0.00 O ATOM 1058 OD2 ASP A 74 0.859 12.184 6.497 1.00 0.00 O ATOM 0 H ASP A 74 0.006 8.463 3.512 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.523 9.412 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.042 9.756 4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.311 11.219 4.250 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.057 10.603 2.752 1.00 0.00 N ATOM 1064 CA GLU A 75 -2.961 11.424 1.954 1.00 0.00 C ATOM 1065 C GLU A 75 -4.133 10.594 1.434 1.00 0.00 C ATOM 1066 O GLU A 75 -4.077 9.365 1.421 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.205 12.060 0.786 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.005 13.559 0.937 1.00 0.00 C ATOM 1069 CD GLU A 75 -2.146 14.301 -0.378 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -3.295 14.567 -0.789 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -1.108 14.618 -0.995 1.00 0.00 O ATOM 0 H GLU A 75 -1.398 10.048 2.206 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.358 12.214 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.231 11.580 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.750 11.865 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.732 13.949 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.016 13.750 1.354 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.215 11.261 0.997 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.405 10.578 0.473 1.00 0.00 C ATOM 1080 C PRO A 76 -6.138 9.893 -0.862 1.00 0.00 C ATOM 1081 O PRO A 76 -6.477 10.422 -1.922 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.420 11.712 0.302 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.594 12.940 0.136 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.365 12.728 0.977 1.00 0.00 C ATOM 0 HA PRO A 76 -6.744 9.783 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.058 11.544 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.075 11.790 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.329 13.094 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.141 13.825 0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.492 13.216 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.490 13.133 1.981 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.531 8.712 -0.804 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.220 7.953 -2.009 1.00 0.00 C ATOM 1094 C LEU A 77 -5.310 6.454 -1.746 1.00 0.00 C ATOM 1095 O LEU A 77 -4.565 5.665 -2.327 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.821 8.311 -2.515 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.563 9.806 -2.707 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.079 10.072 -2.910 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -4.368 10.338 -3.883 1.00 0.00 C ATOM 0 H LEU A 77 -5.245 8.260 0.065 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.953 8.214 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.086 7.919 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.655 7.804 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.883 10.329 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.916 11.141 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.525 9.728 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.731 9.538 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.173 11.403 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.078 9.809 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.431 10.183 -3.696 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.226 6.067 -0.864 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.397 4.663 -0.538 1.00 0.00 C ATOM 1113 C GLY A 78 -7.510 4.014 -1.336 1.00 0.00 C ATOM 1114 O GLY A 78 -8.253 4.694 -2.044 1.00 0.00 O ATOM 0 H GLY A 78 -6.853 6.701 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.463 4.133 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.612 4.564 0.526 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.627 2.695 -1.221 1.00 0.00 N ATOM 1119 CA LYS A 79 -8.657 1.954 -1.939 1.00 0.00 C ATOM 1120 C LYS A 79 -9.768 1.508 -0.993 1.00 0.00 C ATOM 1121 O LYS A 79 -10.938 1.460 -1.371 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.045 0.739 -2.642 1.00 0.00 C ATOM 1123 CG LYS A 79 -8.209 0.763 -4.153 1.00 0.00 C ATOM 1124 CD LYS A 79 -9.466 0.026 -4.588 1.00 0.00 C ATOM 1125 CE LYS A 79 -9.237 -0.750 -5.876 1.00 0.00 C ATOM 1126 NZ LYS A 79 -8.049 -1.643 -5.782 1.00 0.00 N ATOM 0 H LYS A 79 -7.021 2.118 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.091 2.616 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.983 0.687 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.506 -0.168 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.253 1.796 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.337 0.307 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.779 -0.659 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.277 0.740 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.121 -1.345 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.102 -0.051 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.199 -2.484 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.204 -1.133 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.913 -1.937 -4.794 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.393 1.181 0.241 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.358 0.739 1.240 1.00 0.00 C ATOM 1142 C ASN A 80 -10.116 1.432 2.576 1.00 0.00 C ATOM 1143 O ASN A 80 -9.099 2.099 2.766 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.281 -0.779 1.418 1.00 0.00 C ATOM 1145 CG ASN A 80 -8.866 -1.259 1.676 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.315 -1.054 2.758 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.269 -1.902 0.679 1.00 0.00 N ATOM 0 H ASN A 80 -8.429 1.214 0.571 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.354 1.007 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.920 -1.078 2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.670 -1.267 0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.316 -2.248 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.763 -2.050 -0.201 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.058 1.269 3.501 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.948 1.879 4.821 1.00 0.00 C ATOM 1156 C ASP A 81 -10.435 0.872 5.845 1.00 0.00 C ATOM 1157 O ASP A 81 -10.798 0.928 7.020 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.303 2.432 5.265 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.358 1.350 5.386 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.684 0.722 4.357 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.857 1.131 6.510 1.00 0.00 O ATOM 0 H ASP A 81 -11.906 0.719 3.360 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.233 2.699 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.190 2.934 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.638 3.183 4.550 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.591 -0.050 5.392 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.044 -1.055 6.282 1.00 0.00 C ATOM 1168 C GLY A 82 -9.685 -2.416 6.088 1.00 0.00 C ATOM 1169 O GLY A 82 -9.078 -3.443 6.389 1.00 0.00 O ATOM 0 H GLY A 82 -9.277 -0.118 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.970 -1.136 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.184 -0.735 7.315 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.916 -2.424 5.585 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.637 -3.669 5.353 1.00 0.00 C ATOM 1175 C ALA A 83 -11.666 -4.020 3.869 1.00 0.00 C ATOM 1176 O ALA A 83 -11.763 -3.139 3.015 1.00 0.00 O ATOM 1177 CB ALA A 83 -13.054 -3.567 5.899 1.00 0.00 C ATOM 0 H ALA A 83 -11.434 -1.583 5.331 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.112 -4.467 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.582 -4.504 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.018 -3.371 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.579 -2.753 5.399 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.582 -5.312 3.571 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.598 -5.781 2.191 1.00 0.00 C ATOM 1185 C VAL A 84 -12.583 -6.930 2.014 1.00 0.00 C ATOM 1186 O VAL A 84 -12.297 -8.069 2.383 1.00 0.00 O ATOM 1187 CB VAL A 84 -10.201 -6.244 1.738 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -10.193 -6.539 0.246 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -9.153 -5.198 2.087 1.00 0.00 C ATOM 0 H VAL A 84 -11.502 -6.053 4.267 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.910 -4.938 1.574 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.954 -7.164 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.197 -6.865 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.914 -7.326 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.462 -5.637 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.172 -5.542 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.394 -4.260 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.141 -5.041 3.166 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.747 -6.624 1.448 1.00 0.00 N ATOM 1200 CA ALA A 85 -14.776 -7.632 1.222 1.00 0.00 C ATOM 1201 C ALA A 85 -15.203 -8.284 2.532 1.00 0.00 C ATOM 1202 O ALA A 85 -15.609 -9.446 2.555 1.00 0.00 O ATOM 1203 CB ALA A 85 -14.276 -8.685 0.244 1.00 0.00 C ATOM 0 H ALA A 85 -14.000 -5.686 1.138 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.647 -7.137 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.054 -9.432 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.027 -8.211 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.388 -9.168 0.652 1.00 0.00 H new ATOM 1209 N GLY A 86 -15.110 -7.529 3.622 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.492 -8.050 4.921 1.00 0.00 C ATOM 1211 C GLY A 86 -14.295 -8.332 5.808 1.00 0.00 C ATOM 1212 O GLY A 86 -14.395 -8.272 7.034 1.00 0.00 O ATOM 0 H GLY A 86 -14.777 -6.565 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.148 -7.335 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.065 -8.967 4.787 1.00 0.00 H new ATOM 1216 N THR A 87 -13.161 -8.638 5.188 1.00 0.00 N ATOM 1217 CA THR A 87 -11.939 -8.931 5.929 1.00 0.00 C ATOM 1218 C THR A 87 -11.399 -7.675 6.606 1.00 0.00 C ATOM 1219 O THR A 87 -10.998 -6.721 5.939 1.00 0.00 O ATOM 1220 CB THR A 87 -10.879 -9.516 4.994 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.479 -10.338 4.009 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.839 -10.347 5.715 1.00 0.00 C ATOM 0 H THR A 87 -13.062 -8.690 4.174 1.00 0.00 H new ATOM 0 HA THR A 87 -12.178 -9.664 6.700 1.00 0.00 H new ATOM 0 HB THR A 87 -10.384 -8.656 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.744 -9.789 3.242 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.117 -10.732 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.324 -9.728 6.449 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.326 -11.180 6.221 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.393 -7.681 7.935 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.903 -6.543 8.703 1.00 0.00 C ATOM 1232 C ARG A 88 -9.404 -6.662 8.955 1.00 0.00 C ATOM 1233 O ARG A 88 -8.920 -7.700 9.405 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.650 -6.438 10.035 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.565 -5.060 10.672 1.00 0.00 C ATOM 1236 CD ARG A 88 -12.938 -4.542 11.072 1.00 0.00 C ATOM 1237 NE ARG A 88 -13.444 -3.549 10.126 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.479 -2.748 10.374 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.119 -2.820 11.535 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -14.873 -1.873 9.460 1.00 0.00 N ATOM 0 H ARG A 88 -11.722 -8.462 8.502 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.085 -5.639 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.698 -6.692 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.245 -7.175 10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.922 -5.104 11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.102 -4.363 9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.637 -5.376 11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.883 -4.100 12.067 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.977 -3.465 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.819 -3.491 12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.911 -2.204 11.720 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.384 -1.813 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.666 -1.259 9.650 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.673 -5.590 8.661 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.227 -5.574 8.856 1.00 0.00 C ATOM 1256 C TYR A 89 -6.826 -4.504 9.865 1.00 0.00 C ATOM 1257 O TYR A 89 -6.171 -4.794 10.867 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.517 -5.328 7.524 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.760 -6.412 6.498 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -5.997 -7.573 6.492 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -7.753 -6.275 5.536 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -6.216 -8.566 5.556 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -7.979 -7.264 4.597 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.207 -8.407 4.612 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.429 -9.395 3.679 1.00 0.00 O ATOM 0 H TYR A 89 -9.058 -4.722 8.287 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.926 -6.546 9.247 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.848 -4.373 7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.445 -5.243 7.704 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.220 -7.702 7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.359 -5.381 5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.613 -9.462 5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.755 -7.142 3.856 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.163 -9.127 3.087 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.223 -3.264 9.596 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.905 -2.149 10.480 1.00 0.00 C ATOM 1277 C PHE A 90 -7.982 -1.072 10.407 1.00 0.00 C ATOM 1278 O PHE A 90 -8.255 -0.526 9.340 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.544 -1.553 10.115 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.428 -1.167 8.668 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.187 -2.126 7.699 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.559 0.157 8.278 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.080 -1.774 6.366 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.452 0.516 6.948 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.212 -0.451 5.991 1.00 0.00 C ATOM 0 H PHE A 90 -7.766 -3.006 8.772 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.865 -2.528 11.501 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.364 -0.673 10.733 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.764 -2.276 10.354 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.081 -3.161 7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.747 0.917 9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.894 -2.532 5.620 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.556 1.551 6.657 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.128 -0.173 4.951 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.590 -0.771 11.551 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.637 0.242 11.616 1.00 0.00 C ATOM 1297 C GLN A 91 -9.059 1.637 11.405 1.00 0.00 C ATOM 1298 O GLN A 91 -8.379 2.178 12.277 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.358 0.172 12.964 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.870 0.277 12.851 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.361 1.710 12.906 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.704 2.221 13.972 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.397 2.368 11.753 1.00 0.00 N ATOM 0 H GLN A 91 -8.375 -1.214 12.444 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.352 0.042 10.818 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.103 -0.767 13.455 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.993 0.975 13.604 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.193 -0.178 11.915 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.331 -0.292 13.658 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.103 1.906 10.893 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.718 3.336 11.728 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.333 2.216 10.241 1.00 0.00 N ATOM 1313 CA CYS A 92 -8.842 3.549 9.914 1.00 0.00 C ATOM 1314 C CYS A 92 -9.805 4.271 8.977 1.00 0.00 C ATOM 1315 O CYS A 92 -10.755 3.675 8.470 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.456 3.461 9.272 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.374 4.859 9.655 1.00 0.00 S ATOM 0 H CYS A 92 -9.893 1.782 9.507 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.771 4.119 10.840 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -6.973 2.541 9.601 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.572 3.391 8.190 1.00 0.00 H new ATOM 0 HG CYS A 92 -5.136 4.463 9.654 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.554 5.557 8.755 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.402 6.358 7.879 1.00 0.00 C ATOM 1325 C GLN A 93 -10.261 5.910 6.425 1.00 0.00 C ATOM 1326 O GLN A 93 -9.159 5.604 5.967 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.042 7.840 8.004 1.00 0.00 C ATOM 1328 CG GLN A 93 -10.811 8.561 9.101 1.00 0.00 C ATOM 1329 CD GLN A 93 -10.534 10.052 9.123 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -11.114 10.814 8.349 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -9.645 10.475 10.014 1.00 0.00 N ATOM 0 H GLN A 93 -8.773 6.066 9.168 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.438 6.214 8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.974 7.931 8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.234 8.334 7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.879 8.396 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.547 8.132 10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.189 9.807 10.636 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.418 11.468 10.077 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.377 5.860 5.676 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.364 5.443 4.268 1.00 0.00 C ATOM 1342 C PRO A 94 -10.424 6.293 3.420 1.00 0.00 C ATOM 1343 O PRO A 94 -10.002 7.373 3.834 1.00 0.00 O ATOM 1344 CB PRO A 94 -12.814 5.645 3.815 1.00 0.00 C ATOM 1345 CG PRO A 94 -13.617 5.620 5.070 1.00 0.00 C ATOM 1346 CD PRO A 94 -12.735 6.203 6.136 1.00 0.00 C ATOM 0 HA PRO A 94 -11.008 4.419 4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.935 6.591 3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.127 4.857 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.532 6.202 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.915 4.602 5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.870 7.281 6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.949 5.774 7.115 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.103 5.799 2.228 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.215 6.512 1.316 1.00 0.00 C ATOM 1356 C LYS A 95 -7.830 6.695 1.932 1.00 0.00 C ATOM 1357 O LYS A 95 -7.158 7.696 1.685 1.00 0.00 O ATOM 1358 CB LYS A 95 -9.813 7.873 0.949 1.00 0.00 C ATOM 1359 CG LYS A 95 -10.102 8.028 -0.536 1.00 0.00 C ATOM 1360 CD LYS A 95 -11.548 8.423 -0.788 1.00 0.00 C ATOM 1361 CE LYS A 95 -11.887 8.388 -2.269 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.260 8.897 -2.538 1.00 0.00 N ATOM 0 H LYS A 95 -10.445 4.907 1.871 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.109 5.915 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.738 8.017 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.126 8.659 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.439 8.783 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.886 7.091 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.210 7.747 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.726 9.425 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.163 8.988 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.801 7.366 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.451 8.856 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.953 8.310 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.336 9.881 -2.211 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.410 5.722 2.732 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.105 5.777 3.380 1.00 0.00 C ATOM 1378 C TYR A 96 -5.470 4.391 3.441 1.00 0.00 C ATOM 1379 O TYR A 96 -4.301 4.218 3.097 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.237 6.352 4.792 1.00 0.00 C ATOM 1381 CG TYR A 96 -6.544 7.833 4.815 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -5.765 8.734 4.101 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -7.614 8.328 5.549 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.042 10.088 4.120 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -7.899 9.681 5.572 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.111 10.556 4.856 1.00 0.00 C ATOM 1387 OH TYR A 96 -7.390 11.903 4.876 1.00 0.00 O ATOM 0 H TYR A 96 -7.954 4.886 2.947 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.460 6.428 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.026 5.817 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.310 6.173 5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.929 8.371 3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.234 7.645 6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.425 10.776 3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.735 10.050 6.148 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.175 12.066 5.440 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.248 3.408 3.880 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.744 2.050 3.976 1.00 0.00 C ATOM 1399 C GLY A 97 -5.434 1.449 2.619 1.00 0.00 C ATOM 1400 O GLY A 97 -6.318 1.325 1.771 1.00 0.00 O ATOM 0 H GLY A 97 -7.218 3.527 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.842 2.043 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.480 1.428 4.486 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.175 1.076 2.413 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.750 0.485 1.149 1.00 0.00 C ATOM 1406 C LEU A 98 -2.952 -0.792 1.388 1.00 0.00 C ATOM 1407 O LEU A 98 -2.298 -0.945 2.420 1.00 0.00 O ATOM 1408 CB LEU A 98 -2.909 1.485 0.352 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.776 1.174 -1.139 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.105 1.384 -1.849 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.692 2.037 -1.767 1.00 0.00 C ATOM 0 H LEU A 98 -3.432 1.172 3.105 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.642 0.233 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.348 2.476 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.911 1.528 0.789 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.491 0.128 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.991 1.158 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.857 0.724 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.421 2.421 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.610 1.803 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.949 3.089 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.739 1.838 -1.277 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.009 -1.708 0.425 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.290 -2.972 0.529 1.00 0.00 C ATOM 1425 C PHE A 99 -1.379 -3.181 -0.676 1.00 0.00 C ATOM 1426 O PHE A 99 -1.773 -2.931 -1.815 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.277 -4.136 0.643 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.644 -4.476 2.060 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -2.802 -5.252 2.841 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -4.830 -4.019 2.611 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.137 -5.566 4.144 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.170 -4.330 3.914 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.323 -5.105 4.680 1.00 0.00 C ATOM 0 H PHE A 99 -3.546 -1.598 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.673 -2.937 1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.184 -3.888 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.845 -5.016 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.873 -5.615 2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.497 -3.413 2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.472 -6.171 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.097 -3.967 4.332 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.588 -5.351 5.698 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.159 -3.639 -0.418 1.00 0.00 N ATOM 1444 CA ALA A 100 0.808 -3.881 -1.482 1.00 0.00 C ATOM 1445 C ALA A 100 1.785 -4.988 -1.095 1.00 0.00 C ATOM 1446 O ALA A 100 1.999 -5.253 0.088 1.00 0.00 O ATOM 1447 CB ALA A 100 1.560 -2.601 -1.811 1.00 0.00 C ATOM 0 H ALA A 100 0.184 -3.850 0.519 1.00 0.00 H new ATOM 0 HA ALA A 100 0.263 -4.207 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.279 -2.796 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.854 -1.838 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.087 -2.250 -0.924 1.00 0.00 H new ATOM 1453 N PRO A 101 2.396 -5.651 -2.093 1.00 0.00 N ATOM 1454 CA PRO A 101 3.354 -6.732 -1.851 1.00 0.00 C ATOM 1455 C PRO A 101 4.567 -6.257 -1.058 1.00 0.00 C ATOM 1456 O PRO A 101 5.131 -5.200 -1.342 1.00 0.00 O ATOM 1457 CB PRO A 101 3.780 -7.174 -3.255 1.00 0.00 C ATOM 1458 CG PRO A 101 2.734 -6.643 -4.175 1.00 0.00 C ATOM 1459 CD PRO A 101 2.200 -5.398 -3.529 1.00 0.00 C ATOM 0 HA PRO A 101 2.912 -7.534 -1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.763 -6.779 -3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.846 -8.260 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.154 -6.423 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.940 -7.375 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.740 -4.510 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.149 -5.239 -3.770 1.00 0.00 H new ATOM 1467 N VAL A 102 4.966 -7.044 -0.063 1.00 0.00 N ATOM 1468 CA VAL A 102 6.114 -6.699 0.770 1.00 0.00 C ATOM 1469 C VAL A 102 7.347 -6.412 -0.082 1.00 0.00 C ATOM 1470 O VAL A 102 8.023 -5.401 0.109 1.00 0.00 O ATOM 1471 CB VAL A 102 6.443 -7.825 1.770 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.354 -7.937 2.825 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.633 -9.150 1.047 1.00 0.00 C ATOM 0 H VAL A 102 4.513 -7.923 0.186 1.00 0.00 H new ATOM 0 HA VAL A 102 5.843 -5.800 1.324 1.00 0.00 H new ATOM 0 HB VAL A 102 7.379 -7.576 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.604 -8.737 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.275 -6.995 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.402 -8.160 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.864 -9.930 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.717 -9.409 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.454 -9.062 0.335 1.00 0.00 H new ATOM 1483 N HIS A 103 7.633 -7.306 -1.026 1.00 0.00 N ATOM 1484 CA HIS A 103 8.783 -7.145 -1.908 1.00 0.00 C ATOM 1485 C HIS A 103 8.713 -5.820 -2.662 1.00 0.00 C ATOM 1486 O HIS A 103 9.740 -5.249 -3.029 1.00 0.00 O ATOM 1487 CB HIS A 103 8.856 -8.306 -2.901 1.00 0.00 C ATOM 1488 CG HIS A 103 7.625 -8.455 -3.740 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.437 -7.822 -4.948 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.502 -9.188 -3.524 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.235 -8.182 -5.418 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.627 -9.010 -4.592 1.00 0.00 N ATOM 0 H HIS A 103 7.084 -8.148 -1.198 1.00 0.00 H new ATOM 0 HA HIS A 103 9.683 -7.144 -1.292 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.716 -8.160 -3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.026 -9.232 -2.352 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.096 -7.191 -5.404 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.317 -9.810 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.818 -7.838 -6.353 1.00 0.00 H new ATOM 1500 N LYS A 104 7.496 -5.336 -2.888 1.00 0.00 N ATOM 1501 CA LYS A 104 7.295 -4.077 -3.595 1.00 0.00 C ATOM 1502 C LYS A 104 7.429 -2.890 -2.646 1.00 0.00 C ATOM 1503 O LYS A 104 7.751 -1.779 -3.069 1.00 0.00 O ATOM 1504 CB LYS A 104 5.919 -4.061 -4.268 1.00 0.00 C ATOM 1505 CG LYS A 104 5.985 -4.139 -5.784 1.00 0.00 C ATOM 1506 CD LYS A 104 4.832 -4.950 -6.351 1.00 0.00 C ATOM 1507 CE LYS A 104 4.840 -4.942 -7.872 1.00 0.00 C ATOM 1508 NZ LYS A 104 3.553 -5.434 -8.437 1.00 0.00 N ATOM 0 H LYS A 104 6.635 -5.796 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 104 8.066 -3.991 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.331 -4.899 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.394 -3.150 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.964 -3.133 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.931 -4.589 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.896 -5.977 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.887 -4.544 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.030 -3.930 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.657 -5.566 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.599 -5.413 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.384 -6.409 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.776 -4.824 -8.113 1.00 0.00 H new ATOM 1522 N VAL A 105 7.181 -3.129 -1.360 1.00 0.00 N ATOM 1523 CA VAL A 105 7.277 -2.076 -0.357 1.00 0.00 C ATOM 1524 C VAL A 105 8.729 -1.662 -0.133 1.00 0.00 C ATOM 1525 O VAL A 105 9.615 -2.508 -0.015 1.00 0.00 O ATOM 1526 CB VAL A 105 6.667 -2.523 0.987 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.675 -1.377 1.991 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.254 -3.050 0.783 1.00 0.00 C ATOM 0 H VAL A 105 6.913 -4.041 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 105 6.714 -1.224 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 105 7.279 -3.330 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.240 -1.714 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.701 -1.050 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.090 -0.545 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.840 -3.361 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.631 -2.264 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.278 -3.903 0.105 1.00 0.00 H new ATOM 1538 N THR A 106 8.962 -0.355 -0.076 1.00 0.00 N ATOM 1539 CA THR A 106 10.305 0.175 0.133 1.00 0.00 C ATOM 1540 C THR A 106 10.362 1.028 1.396 1.00 0.00 C ATOM 1541 O THR A 106 9.528 1.911 1.599 1.00 0.00 O ATOM 1542 CB THR A 106 10.743 1.004 -1.075 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.242 0.443 -2.276 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.246 1.113 -1.213 1.00 0.00 C ATOM 0 H THR A 106 8.238 0.357 -0.172 1.00 0.00 H new ATOM 0 HA THR A 106 10.986 -0.667 0.253 1.00 0.00 H new ATOM 0 HB THR A 106 10.336 2.001 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.531 0.988 -3.037 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.488 1.714 -2.090 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.660 1.587 -0.323 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.674 0.117 -1.326 1.00 0.00 H new ATOM 1552 N LYS A 107 11.352 0.760 2.242 1.00 0.00 N ATOM 1553 CA LYS A 107 11.517 1.505 3.484 1.00 0.00 C ATOM 1554 C LYS A 107 12.209 2.840 3.229 1.00 0.00 C ATOM 1555 O LYS A 107 13.383 2.881 2.860 1.00 0.00 O ATOM 1556 CB LYS A 107 12.319 0.682 4.496 1.00 0.00 C ATOM 1557 CG LYS A 107 11.604 0.481 5.821 1.00 0.00 C ATOM 1558 CD LYS A 107 11.601 1.755 6.651 1.00 0.00 C ATOM 1559 CE LYS A 107 12.686 1.727 7.716 1.00 0.00 C ATOM 1560 NZ LYS A 107 13.151 3.097 8.071 1.00 0.00 N ATOM 0 H LYS A 107 12.051 0.033 2.090 1.00 0.00 H new ATOM 0 HA LYS A 107 10.527 1.703 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.543 -0.293 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.273 1.177 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.578 0.163 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.090 -0.318 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.751 2.616 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.627 1.880 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.306 1.230 8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.531 1.138 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.890 3.035 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.537 3.563 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.351 3.651 8.436 1.00 0.00 H new ATOM 1574 N ILE A 108 11.475 3.930 3.426 1.00 0.00 N ATOM 1575 CA ILE A 108 12.019 5.266 3.216 1.00 0.00 C ATOM 1576 C ILE A 108 13.191 5.533 4.154 1.00 0.00 C ATOM 1577 O ILE A 108 14.315 5.765 3.708 1.00 0.00 O ATOM 1578 CB ILE A 108 10.946 6.351 3.432 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.685 6.025 2.625 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.489 7.719 3.043 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.402 6.250 3.395 1.00 0.00 C ATOM 0 H ILE A 108 10.502 3.914 3.731 1.00 0.00 H new ATOM 0 HA ILE A 108 12.364 5.309 2.183 1.00 0.00 H new ATOM 0 HB ILE A 108 10.682 6.372 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.671 6.638 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.728 4.985 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.719 8.474 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.359 7.953 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.778 7.710 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.550 5.999 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.394 5.617 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.336 7.296 3.695 1.00 0.00 H new