USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=9 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 -39:sc= -0.0789! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -125:sc= 1.04 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -40:sc= -2.1 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0512 X(o=-0.051,f=0.00096) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.5) USER MOD Single : A 92 CYS SG : rot -131:sc= 0.891 USER MOD Single : A 93 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.011) 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= -3.16! C(o=-3.2!,f=-4.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 82:sc= 0.0315 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.669 -5.129 7.675 1.00 0.00 N ATOM 522 CA LEU A 39 8.892 -3.960 8.071 1.00 0.00 C ATOM 523 C LEU A 39 8.415 -4.088 9.514 1.00 0.00 C ATOM 524 O LEU A 39 8.791 -5.022 10.223 1.00 0.00 O ATOM 525 CB LEU A 39 7.693 -3.780 7.139 1.00 0.00 C ATOM 526 CG LEU A 39 8.024 -3.810 5.645 1.00 0.00 C ATOM 527 CD1 LEU A 39 6.754 -3.934 4.820 1.00 0.00 C ATOM 528 CD2 LEU A 39 8.802 -2.564 5.247 1.00 0.00 C ATOM 0 HA LEU A 39 9.536 -3.084 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.967 -4.565 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.212 -2.830 7.370 1.00 0.00 H new ATOM 0 HG LEU A 39 8.647 -4.682 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.009 -3.954 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.236 -4.855 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.105 -3.082 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.029 -2.602 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.204 -1.678 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.731 -2.519 5.815 1.00 0.00 H new ATOM 540 N LYS A 40 7.585 -3.142 9.945 1.00 0.00 N ATOM 541 CA LYS A 40 7.057 -3.150 11.303 1.00 0.00 C ATOM 542 C LYS A 40 5.924 -2.138 11.452 1.00 0.00 C ATOM 543 O LYS A 40 5.861 -1.150 10.721 1.00 0.00 O ATOM 544 CB LYS A 40 8.172 -2.842 12.307 1.00 0.00 C ATOM 545 CG LYS A 40 8.556 -4.030 13.173 1.00 0.00 C ATOM 546 CD LYS A 40 9.923 -3.837 13.810 1.00 0.00 C ATOM 547 CE LYS A 40 9.935 -4.305 15.256 1.00 0.00 C ATOM 548 NZ LYS A 40 10.004 -5.789 15.360 1.00 0.00 N ATOM 0 H LYS A 40 7.265 -2.361 9.372 1.00 0.00 H new ATOM 0 HA LYS A 40 6.659 -4.144 11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.053 -2.498 11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.854 -2.022 12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.807 -4.171 13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.560 -4.936 12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.672 -4.389 13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.201 -2.784 13.765 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.788 -3.865 15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.038 -3.947 15.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.010 -6.067 16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.177 -6.209 14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.873 -6.129 14.901 1.00 0.00 H new ATOM 562 N ILE A 41 5.031 -2.392 12.403 1.00 0.00 N ATOM 563 CA ILE A 41 3.901 -1.503 12.648 1.00 0.00 C ATOM 564 C ILE A 41 4.356 -0.200 13.294 1.00 0.00 C ATOM 565 O ILE A 41 4.854 -0.194 14.420 1.00 0.00 O ATOM 566 CB ILE A 41 2.847 -2.170 13.553 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.515 -3.573 13.039 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.592 -1.314 13.623 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.006 -3.591 11.614 1.00 0.00 C ATOM 0 H ILE A 41 5.068 -3.206 13.017 1.00 0.00 H new ATOM 0 HA ILE A 41 3.453 -1.288 11.678 1.00 0.00 H new ATOM 0 HB ILE A 41 3.258 -2.261 14.559 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.407 -4.196 13.105 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.764 -4.021 13.690 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.857 -1.798 14.266 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.842 -0.335 14.031 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.177 -1.195 12.622 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.791 -4.618 11.317 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.096 -2.995 11.545 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.764 -3.173 10.952 1.00 0.00 H new ATOM 581 N GLY A 42 4.182 0.904 12.574 1.00 0.00 N ATOM 582 CA GLY A 42 4.579 2.200 13.093 1.00 0.00 C ATOM 583 C GLY A 42 5.626 2.875 12.231 1.00 0.00 C ATOM 584 O GLY A 42 5.707 4.103 12.186 1.00 0.00 O ATOM 0 H GLY A 42 3.773 0.924 11.640 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.702 2.843 13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.968 2.079 14.104 1.00 0.00 H new ATOM 588 N ASP A 43 6.431 2.071 11.543 1.00 0.00 N ATOM 589 CA ASP A 43 7.480 2.597 10.678 1.00 0.00 C ATOM 590 C ASP A 43 6.906 3.036 9.334 1.00 0.00 C ATOM 591 O ASP A 43 6.037 2.371 8.772 1.00 0.00 O ATOM 592 CB ASP A 43 8.568 1.544 10.462 1.00 0.00 C ATOM 593 CG ASP A 43 9.683 1.647 11.485 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.576 2.501 11.305 1.00 0.00 O ATOM 595 OD2 ASP A 43 9.663 0.873 12.464 1.00 0.00 O ATOM 0 H ASP A 43 6.376 1.053 11.568 1.00 0.00 H new ATOM 0 HA ASP A 43 7.919 3.467 11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.123 0.550 10.512 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.985 1.656 9.461 1.00 0.00 H new ATOM 600 N ARG A 44 7.401 4.160 8.823 1.00 0.00 N ATOM 601 CA ARG A 44 6.938 4.687 7.545 1.00 0.00 C ATOM 602 C ARG A 44 7.589 3.942 6.384 1.00 0.00 C ATOM 603 O ARG A 44 8.713 3.456 6.497 1.00 0.00 O ATOM 604 CB ARG A 44 7.245 6.181 7.444 1.00 0.00 C ATOM 605 CG ARG A 44 6.122 7.069 7.956 1.00 0.00 C ATOM 606 CD ARG A 44 5.117 7.383 6.860 1.00 0.00 C ATOM 607 NE ARG A 44 4.019 8.216 7.345 1.00 0.00 N ATOM 608 CZ ARG A 44 4.110 9.533 7.520 1.00 0.00 C ATOM 609 NH1 ARG A 44 5.245 10.168 7.255 1.00 0.00 N ATOM 610 NH2 ARG A 44 3.064 10.216 7.963 1.00 0.00 N ATOM 0 H ARG A 44 8.122 4.722 9.275 1.00 0.00 H new ATOM 0 HA ARG A 44 5.859 4.541 7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.153 6.396 8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.450 6.432 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.615 6.575 8.785 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.540 7.998 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.623 7.892 6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.716 6.452 6.459 1.00 0.00 H new ATOM 0 HE ARG A 44 3.131 7.763 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.054 9.647 6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.309 11.177 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.190 9.733 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.133 11.225 8.097 1.00 0.00 H new ATOM 624 N VAL A 45 6.873 3.856 5.267 1.00 0.00 N ATOM 625 CA VAL A 45 7.380 3.170 4.085 1.00 0.00 C ATOM 626 C VAL A 45 6.987 3.907 2.809 1.00 0.00 C ATOM 627 O VAL A 45 6.085 4.745 2.816 1.00 0.00 O ATOM 628 CB VAL A 45 6.860 1.723 4.008 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.495 0.867 5.093 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.343 1.695 4.115 1.00 0.00 C ATOM 0 H VAL A 45 5.940 4.253 5.156 1.00 0.00 H new ATOM 0 HA VAL A 45 8.466 3.154 4.172 1.00 0.00 H new ATOM 0 HB VAL A 45 7.141 1.307 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.115 -0.152 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.577 0.860 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.249 1.279 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.993 0.664 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.037 2.130 5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.910 2.270 3.297 1.00 0.00 H new ATOM 640 N LEU A 46 7.670 3.588 1.714 1.00 0.00 N ATOM 641 CA LEU A 46 7.392 4.217 0.428 1.00 0.00 C ATOM 642 C LEU A 46 7.280 3.171 -0.675 1.00 0.00 C ATOM 643 O LEU A 46 8.176 2.347 -0.856 1.00 0.00 O ATOM 644 CB LEU A 46 8.490 5.226 0.082 1.00 0.00 C ATOM 645 CG LEU A 46 8.250 6.031 -1.196 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.955 6.822 -1.094 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.424 6.961 -1.467 1.00 0.00 C ATOM 0 H LEU A 46 8.420 2.897 1.692 1.00 0.00 H new ATOM 0 HA LEU A 46 6.439 4.741 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.600 5.920 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.435 4.692 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 46 8.162 5.335 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.801 7.388 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.121 6.136 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.014 7.509 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.237 7.526 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.543 7.650 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.334 6.373 -1.584 1.00 0.00 H new ATOM 659 N VAL A 47 6.173 3.207 -1.409 1.00 0.00 N ATOM 660 CA VAL A 47 5.942 2.261 -2.494 1.00 0.00 C ATOM 661 C VAL A 47 5.625 2.986 -3.798 1.00 0.00 C ATOM 662 O VAL A 47 4.624 3.695 -3.897 1.00 0.00 O ATOM 663 CB VAL A 47 4.790 1.293 -2.156 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.486 2.053 -1.969 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.649 0.230 -3.238 1.00 0.00 C ATOM 0 H VAL A 47 5.421 3.882 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 47 6.861 1.688 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 47 5.026 0.793 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.687 1.351 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.595 2.768 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.240 2.585 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.831 -0.444 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.438 0.710 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.576 -0.338 -3.313 1.00 0.00 H new ATOM 675 N GLY A 48 6.483 2.801 -4.797 1.00 0.00 N ATOM 676 CA GLY A 48 6.276 3.443 -6.081 1.00 0.00 C ATOM 677 C GLY A 48 7.030 4.753 -6.206 1.00 0.00 C ATOM 678 O GLY A 48 7.333 5.198 -7.314 1.00 0.00 O ATOM 0 H GLY A 48 7.318 2.218 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.593 2.768 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.211 3.626 -6.224 1.00 0.00 H new ATOM 682 N GLY A 49 7.333 5.374 -5.070 1.00 0.00 N ATOM 683 CA GLY A 49 8.053 6.633 -5.082 1.00 0.00 C ATOM 684 C GLY A 49 7.128 7.829 -4.982 1.00 0.00 C ATOM 685 O GLY A 49 7.448 8.913 -5.469 1.00 0.00 O ATOM 0 H GLY A 49 7.092 5.027 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.759 6.653 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.638 6.705 -5.999 1.00 0.00 H new ATOM 689 N THR A 50 5.976 7.632 -4.349 1.00 0.00 N ATOM 690 CA THR A 50 4.999 8.702 -4.186 1.00 0.00 C ATOM 691 C THR A 50 4.058 8.405 -3.023 1.00 0.00 C ATOM 692 O THR A 50 3.782 9.273 -2.196 1.00 0.00 O ATOM 693 CB THR A 50 4.197 8.889 -5.474 1.00 0.00 C ATOM 694 OG1 THR A 50 5.022 8.699 -6.609 1.00 0.00 O ATOM 695 CG2 THR A 50 3.563 10.258 -5.591 1.00 0.00 C ATOM 0 H THR A 50 5.696 6.740 -3.940 1.00 0.00 H new ATOM 0 HA THR A 50 5.538 9.624 -3.967 1.00 0.00 H new ATOM 0 HB THR A 50 3.404 8.142 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.906 9.087 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.009 10.324 -6.527 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.882 10.416 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.341 11.022 -5.575 1.00 0.00 H new ATOM 703 N LYS A 51 3.568 7.171 -2.967 1.00 0.00 N ATOM 704 CA LYS A 51 2.657 6.757 -1.906 1.00 0.00 C ATOM 705 C LYS A 51 3.428 6.355 -0.653 1.00 0.00 C ATOM 706 O LYS A 51 4.099 5.323 -0.629 1.00 0.00 O ATOM 707 CB LYS A 51 1.785 5.592 -2.378 1.00 0.00 C ATOM 708 CG LYS A 51 0.639 6.018 -3.283 1.00 0.00 C ATOM 709 CD LYS A 51 0.041 4.832 -4.021 1.00 0.00 C ATOM 710 CE LYS A 51 -0.588 5.255 -5.339 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.897 4.583 -5.572 1.00 0.00 N ATOM 0 H LYS A 51 3.787 6.440 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 51 2.017 7.604 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.409 4.874 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.378 5.078 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.134 6.505 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.997 6.753 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.817 4.090 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.712 4.354 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.729 6.336 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.092 5.019 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.292 4.899 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.759 3.552 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.555 4.828 -4.805 1.00 0.00 H new ATOM 725 N ALA A 52 3.329 7.177 0.387 1.00 0.00 N ATOM 726 CA ALA A 52 4.017 6.907 1.644 1.00 0.00 C ATOM 727 C ALA A 52 3.061 7.019 2.827 1.00 0.00 C ATOM 728 O ALA A 52 2.336 8.005 2.960 1.00 0.00 O ATOM 729 CB ALA A 52 5.189 7.860 1.818 1.00 0.00 C ATOM 0 H ALA A 52 2.779 8.036 0.384 1.00 0.00 H new ATOM 0 HA ALA A 52 4.395 5.885 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.694 7.648 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.890 7.729 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.825 8.887 1.825 1.00 0.00 H new ATOM 735 N GLY A 53 3.066 6.003 3.683 1.00 0.00 N ATOM 736 CA GLY A 53 2.196 6.008 4.844 1.00 0.00 C ATOM 737 C GLY A 53 2.690 5.089 5.944 1.00 0.00 C ATOM 738 O GLY A 53 3.628 4.319 5.742 1.00 0.00 O ATOM 0 H GLY A 53 3.657 5.176 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.118 7.024 5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.193 5.704 4.544 1.00 0.00 H new ATOM 742 N VAL A 54 2.057 5.171 7.109 1.00 0.00 N ATOM 743 CA VAL A 54 2.438 4.341 8.245 1.00 0.00 C ATOM 744 C VAL A 54 1.863 2.934 8.115 1.00 0.00 C ATOM 745 O VAL A 54 0.715 2.757 7.707 1.00 0.00 O ATOM 746 CB VAL A 54 1.966 4.955 9.576 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.541 4.186 10.755 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.349 6.425 9.650 1.00 0.00 C ATOM 0 H VAL A 54 1.278 5.804 7.291 1.00 0.00 H new ATOM 0 HA VAL A 54 3.527 4.288 8.245 1.00 0.00 H new ATOM 0 HB VAL A 54 0.879 4.883 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.196 4.636 11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.210 3.148 10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.630 4.222 10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.008 6.843 10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.432 6.523 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.882 6.965 8.826 1.00 0.00 H new ATOM 758 N VAL A 55 2.670 1.936 8.463 1.00 0.00 N ATOM 759 CA VAL A 55 2.241 0.544 8.385 1.00 0.00 C ATOM 760 C VAL A 55 1.211 0.225 9.463 1.00 0.00 C ATOM 761 O VAL A 55 1.454 0.442 10.651 1.00 0.00 O ATOM 762 CB VAL A 55 3.436 -0.419 8.528 1.00 0.00 C ATOM 763 CG1 VAL A 55 2.997 -1.855 8.280 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.558 -0.027 7.579 1.00 0.00 C ATOM 0 H VAL A 55 3.624 2.065 8.801 1.00 0.00 H new ATOM 0 HA VAL A 55 1.788 0.406 7.403 1.00 0.00 H new ATOM 0 HB VAL A 55 3.814 -0.348 9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.854 -2.521 8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.231 -2.132 9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.591 -1.942 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.392 -0.719 7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.196 -0.065 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.892 0.985 7.808 1.00 0.00 H new ATOM 774 N ARG A 56 0.061 -0.290 9.041 1.00 0.00 N ATOM 775 CA ARG A 56 -1.007 -0.639 9.970 1.00 0.00 C ATOM 776 C ARG A 56 -1.135 -2.153 10.108 1.00 0.00 C ATOM 777 O ARG A 56 -1.345 -2.672 11.204 1.00 0.00 O ATOM 778 CB ARG A 56 -2.335 -0.046 9.500 1.00 0.00 C ATOM 779 CG ARG A 56 -2.389 1.471 9.583 1.00 0.00 C ATOM 780 CD ARG A 56 -2.464 1.945 11.025 1.00 0.00 C ATOM 781 NE ARG A 56 -1.836 3.252 11.205 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.710 3.860 12.382 1.00 0.00 C ATOM 783 NH1 ARG A 56 -2.168 3.282 13.485 1.00 0.00 N ATOM 784 NH2 ARG A 56 -1.125 5.047 12.456 1.00 0.00 N ATOM 0 H ARG A 56 -0.155 -0.475 8.061 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.756 -0.222 10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.515 -0.351 8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.143 -0.463 10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.506 1.895 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.256 1.836 9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.508 1.998 11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.976 1.216 11.672 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.472 3.727 10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.619 2.368 13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.069 3.751 14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.771 5.495 11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.029 5.513 13.358 1.00 0.00 H new ATOM 798 N PHE A 57 -1.008 -2.856 8.986 1.00 0.00 N ATOM 799 CA PHE A 57 -1.111 -4.311 8.982 1.00 0.00 C ATOM 800 C PHE A 57 0.020 -4.934 8.171 1.00 0.00 C ATOM 801 O PHE A 57 0.543 -4.321 7.241 1.00 0.00 O ATOM 802 CB PHE A 57 -2.462 -4.743 8.408 1.00 0.00 C ATOM 803 CG PHE A 57 -2.748 -6.207 8.582 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.282 -7.132 7.661 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.484 -6.659 9.666 1.00 0.00 C ATOM 806 CE1 PHE A 57 -2.544 -8.480 7.819 1.00 0.00 C ATOM 807 CE2 PHE A 57 -3.749 -8.005 9.829 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.280 -8.917 8.903 1.00 0.00 C ATOM 0 H PHE A 57 -0.834 -2.442 8.070 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.031 -4.660 10.011 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.253 -4.167 8.889 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.491 -4.499 7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.708 -6.796 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.855 -5.950 10.392 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.173 -9.191 7.095 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.322 -8.344 10.679 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.488 -9.969 9.027 1.00 0.00 H new ATOM 818 N LEU A 58 0.395 -6.158 8.531 1.00 0.00 N ATOM 819 CA LEU A 58 1.465 -6.865 7.837 1.00 0.00 C ATOM 820 C LEU A 58 1.266 -8.375 7.927 1.00 0.00 C ATOM 821 O LEU A 58 1.533 -8.985 8.963 1.00 0.00 O ATOM 822 CB LEU A 58 2.824 -6.484 8.424 1.00 0.00 C ATOM 823 CG LEU A 58 4.029 -7.141 7.747 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.586 -6.239 6.658 1.00 0.00 C ATOM 825 CD2 LEU A 58 5.104 -7.469 8.772 1.00 0.00 C ATOM 0 H LEU A 58 -0.026 -6.680 9.299 1.00 0.00 H new ATOM 0 HA LEU A 58 1.437 -6.573 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.938 -5.402 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.833 -6.747 9.482 1.00 0.00 H new ATOM 0 HG LEU A 58 3.699 -8.072 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.442 -6.722 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.816 -6.055 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.900 -5.291 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.953 -7.936 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.431 -6.552 9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.700 -8.155 9.517 1.00 0.00 H new ATOM 837 N GLY A 59 0.794 -8.970 6.837 1.00 0.00 N ATOM 838 CA GLY A 59 0.568 -10.403 6.815 1.00 0.00 C ATOM 839 C GLY A 59 0.112 -10.898 5.455 1.00 0.00 C ATOM 840 O GLY A 59 0.614 -10.450 4.425 1.00 0.00 O ATOM 0 H GLY A 59 0.564 -8.486 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.487 -10.917 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.182 -10.661 7.562 1.00 0.00 H new ATOM 844 N GLU A 60 -0.841 -11.823 5.454 1.00 0.00 N ATOM 845 CA GLU A 60 -1.365 -12.380 4.213 1.00 0.00 C ATOM 846 C GLU A 60 -2.700 -11.737 3.848 1.00 0.00 C ATOM 847 O GLU A 60 -3.533 -11.477 4.717 1.00 0.00 O ATOM 848 CB GLU A 60 -1.533 -13.895 4.339 1.00 0.00 C ATOM 849 CG GLU A 60 -0.260 -14.675 4.054 1.00 0.00 C ATOM 850 CD GLU A 60 -0.350 -16.120 4.503 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.175 -16.867 3.937 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.407 -16.504 5.420 1.00 0.00 O ATOM 0 H GLU A 60 -1.267 -12.203 6.299 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.650 -12.166 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.876 -14.131 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.312 -14.224 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.050 -14.643 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.578 -14.193 4.558 1.00 0.00 H new ATOM 859 N THR A 61 -2.895 -11.482 2.559 1.00 0.00 N ATOM 860 CA THR A 61 -4.129 -10.869 2.079 1.00 0.00 C ATOM 861 C THR A 61 -5.202 -11.925 1.835 1.00 0.00 C ATOM 862 O THR A 61 -4.998 -13.108 2.109 1.00 0.00 O ATOM 863 CB THR A 61 -3.865 -10.085 0.793 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.782 -10.649 0.074 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.544 -8.625 1.037 1.00 0.00 C ATOM 0 H THR A 61 -2.215 -11.690 1.828 1.00 0.00 H new ATOM 0 HA THR A 61 -4.489 -10.184 2.847 1.00 0.00 H new ATOM 0 HB THR A 61 -4.792 -10.146 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.107 -9.959 -0.096 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.367 -8.127 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.382 -8.148 1.546 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.651 -8.548 1.658 1.00 0.00 H new ATOM 873 N ASP A 62 -6.347 -11.490 1.319 1.00 0.00 N ATOM 874 CA ASP A 62 -7.453 -12.397 1.038 1.00 0.00 C ATOM 875 C ASP A 62 -7.887 -12.292 -0.421 1.00 0.00 C ATOM 876 O ASP A 62 -9.061 -12.470 -0.744 1.00 0.00 O ATOM 877 CB ASP A 62 -8.637 -12.090 1.957 1.00 0.00 C ATOM 878 CG ASP A 62 -9.360 -13.345 2.406 1.00 0.00 C ATOM 879 OD1 ASP A 62 -10.048 -13.966 1.569 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.238 -13.707 3.596 1.00 0.00 O ATOM 0 H ASP A 62 -6.533 -10.514 1.087 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.111 -13.415 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.283 -11.545 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.337 -11.437 1.437 1.00 0.00 H new ATOM 885 N PHE A 63 -6.932 -12.003 -1.297 1.00 0.00 N ATOM 886 CA PHE A 63 -7.215 -11.875 -2.722 1.00 0.00 C ATOM 887 C PHE A 63 -5.993 -12.242 -3.556 1.00 0.00 C ATOM 888 O PHE A 63 -6.093 -12.993 -4.528 1.00 0.00 O ATOM 889 CB PHE A 63 -7.660 -10.449 -3.050 1.00 0.00 C ATOM 890 CG PHE A 63 -6.643 -9.404 -2.691 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.673 -9.021 -3.602 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.657 -8.805 -1.441 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.735 -8.059 -3.274 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.721 -7.843 -1.108 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.760 -7.469 -2.025 1.00 0.00 C ATOM 0 H PHE A 63 -5.955 -11.853 -1.046 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.021 -12.566 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.877 -10.381 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.589 -10.237 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.649 -9.479 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.407 -9.093 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.984 -7.769 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.742 -7.384 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.029 -6.717 -1.767 1.00 0.00 H new ATOM 905 N ALA A 64 -4.838 -11.709 -3.171 1.00 0.00 N ATOM 906 CA ALA A 64 -3.595 -11.981 -3.883 1.00 0.00 C ATOM 907 C ALA A 64 -2.763 -13.030 -3.152 1.00 0.00 C ATOM 908 O ALA A 64 -3.086 -13.423 -2.031 1.00 0.00 O ATOM 909 CB ALA A 64 -2.796 -10.699 -4.058 1.00 0.00 C ATOM 0 H ALA A 64 -4.737 -11.086 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.847 -12.376 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.871 -10.917 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.383 -9.980 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.561 -10.280 -3.079 1.00 0.00 H new ATOM 915 N LYS A 65 -1.689 -13.478 -3.795 1.00 0.00 N ATOM 916 CA LYS A 65 -0.810 -14.481 -3.205 1.00 0.00 C ATOM 917 C LYS A 65 0.394 -13.823 -2.540 1.00 0.00 C ATOM 918 O LYS A 65 0.584 -12.610 -2.636 1.00 0.00 O ATOM 919 CB LYS A 65 -0.343 -15.472 -4.274 1.00 0.00 C ATOM 920 CG LYS A 65 -0.420 -16.924 -3.833 1.00 0.00 C ATOM 921 CD LYS A 65 0.228 -17.851 -4.849 1.00 0.00 C ATOM 922 CE LYS A 65 0.073 -19.309 -4.450 1.00 0.00 C ATOM 923 NZ LYS A 65 1.094 -20.176 -5.103 1.00 0.00 N ATOM 0 H LYS A 65 -1.407 -13.163 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.372 -15.020 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.950 -15.340 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.686 -15.239 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.073 -17.039 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.463 -17.208 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.222 -17.691 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.287 -17.608 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.159 -19.400 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.924 -19.655 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.954 -21.162 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.996 -20.109 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.046 -19.862 -4.824 1.00 0.00 H new ATOM 937 N GLY A 66 1.206 -14.630 -1.864 1.00 0.00 N ATOM 938 CA GLY A 66 2.381 -14.108 -1.192 1.00 0.00 C ATOM 939 C GLY A 66 2.032 -13.307 0.047 1.00 0.00 C ATOM 940 O GLY A 66 0.934 -13.437 0.589 1.00 0.00 O ATOM 0 H GLY A 66 1.071 -15.637 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.034 -14.935 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.941 -13.478 -1.883 1.00 0.00 H new ATOM 944 N GLU A 67 2.969 -12.478 0.498 1.00 0.00 N ATOM 945 CA GLU A 67 2.754 -11.654 1.682 1.00 0.00 C ATOM 946 C GLU A 67 2.573 -10.189 1.301 1.00 0.00 C ATOM 947 O GLU A 67 3.462 -9.574 0.712 1.00 0.00 O ATOM 948 CB GLU A 67 3.929 -11.800 2.649 1.00 0.00 C ATOM 949 CG GLU A 67 3.529 -11.695 4.113 1.00 0.00 C ATOM 950 CD GLU A 67 4.727 -11.600 5.038 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.572 -12.518 5.012 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.818 -10.607 5.790 1.00 0.00 O ATOM 0 H GLU A 67 3.883 -12.359 0.062 1.00 0.00 H new ATOM 0 HA GLU A 67 1.843 -11.997 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.410 -12.764 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.669 -11.031 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.897 -10.818 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.931 -12.565 4.386 1.00 0.00 H new ATOM 959 N TRP A 68 1.414 -9.633 1.643 1.00 0.00 N ATOM 960 CA TRP A 68 1.115 -8.238 1.339 1.00 0.00 C ATOM 961 C TRP A 68 1.205 -7.378 2.596 1.00 0.00 C ATOM 962 O TRP A 68 0.870 -7.827 3.692 1.00 0.00 O ATOM 963 CB TRP A 68 -0.279 -8.117 0.721 1.00 0.00 C ATOM 964 CG TRP A 68 -0.344 -8.590 -0.698 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.022 -9.817 -1.171 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.804 -7.843 -1.832 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.183 -9.879 -2.529 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.689 -8.681 -2.958 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.303 -6.549 -2.004 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -1.053 -8.265 -4.235 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.664 -6.137 -3.272 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.538 -6.993 -4.374 1.00 0.00 C ATOM 0 H TRP A 68 0.667 -10.128 2.131 1.00 0.00 H new ATOM 0 HA TRP A 68 1.854 -7.880 0.622 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.985 -8.692 1.320 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.598 -7.076 0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.415 -10.621 -0.567 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.010 -10.687 -3.121 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.405 -5.883 -1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.956 -8.923 -5.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -2.050 -5.139 -3.416 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.830 -6.642 -5.353 1.00 0.00 H new ATOM 983 N CYS A 69 1.658 -6.141 2.430 1.00 0.00 N ATOM 984 CA CYS A 69 1.791 -5.219 3.552 1.00 0.00 C ATOM 985 C CYS A 69 0.712 -4.141 3.501 1.00 0.00 C ATOM 986 O CYS A 69 0.668 -3.335 2.573 1.00 0.00 O ATOM 987 CB CYS A 69 3.176 -4.570 3.546 1.00 0.00 C ATOM 988 SG CYS A 69 3.500 -3.509 4.974 1.00 0.00 S ATOM 0 H CYS A 69 1.939 -5.753 1.530 1.00 0.00 H new ATOM 0 HA CYS A 69 1.668 -5.788 4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.933 -5.354 3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.285 -3.980 2.636 1.00 0.00 H new ATOM 0 HG CYS A 69 2.431 -2.825 5.258 1.00 0.00 H new ATOM 994 N GLY A 70 -0.156 -4.134 4.508 1.00 0.00 N ATOM 995 CA GLY A 70 -1.224 -3.151 4.559 1.00 0.00 C ATOM 996 C GLY A 70 -0.775 -1.841 5.175 1.00 0.00 C ATOM 997 O GLY A 70 -0.772 -1.690 6.398 1.00 0.00 O ATOM 0 H GLY A 70 -0.139 -4.790 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.593 -2.967 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.057 -3.553 5.135 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.397 -0.889 4.329 1.00 0.00 N ATOM 1002 CA VAL A 71 0.054 0.415 4.797 1.00 0.00 C ATOM 1003 C VAL A 71 -1.013 1.481 4.566 1.00 0.00 C ATOM 1004 O VAL A 71 -1.640 1.526 3.508 1.00 0.00 O ATOM 1005 CB VAL A 71 1.356 0.847 4.093 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.895 2.132 4.703 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.395 -0.261 4.164 1.00 0.00 C ATOM 0 H VAL A 71 -0.394 -0.997 3.315 1.00 0.00 H new ATOM 0 HA VAL A 71 0.243 0.319 5.866 1.00 0.00 H new ATOM 0 HB VAL A 71 1.132 1.037 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.814 2.420 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.155 2.925 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.103 1.973 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.307 0.062 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.616 -0.486 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.008 -1.154 3.674 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.214 2.335 5.564 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.206 3.400 5.470 1.00 0.00 C ATOM 1019 C GLU A 72 -1.566 4.699 4.992 1.00 0.00 C ATOM 1020 O GLU A 72 -0.686 5.250 5.653 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.881 3.619 6.825 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.011 4.635 6.784 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.972 5.598 7.954 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -2.922 6.242 8.159 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.992 5.708 8.667 1.00 0.00 O ATOM 0 H GLU A 72 -0.704 2.311 6.447 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.959 3.097 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.272 2.667 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.133 3.949 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.954 5.198 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.966 4.110 6.782 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.015 5.184 3.839 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.486 6.419 3.272 1.00 0.00 C ATOM 1034 C LEU A 73 -1.990 7.633 4.047 1.00 0.00 C ATOM 1035 O LEU A 73 -3.086 7.614 4.605 1.00 0.00 O ATOM 1036 CB LEU A 73 -1.881 6.541 1.799 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.802 5.241 0.997 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.129 5.497 -0.466 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.423 4.613 1.134 1.00 0.00 C ATOM 0 H LEU A 73 -2.744 4.741 3.279 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.399 6.387 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.900 6.923 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.236 7.282 1.326 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.538 4.544 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.068 4.561 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.137 5.902 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.416 6.211 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.385 3.689 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.331 5.306 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.226 4.394 2.183 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.181 8.686 4.077 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.543 9.909 4.784 1.00 0.00 C ATOM 1053 C ASP A 74 -2.368 10.829 3.890 1.00 0.00 C ATOM 1054 O ASP A 74 -3.233 11.564 4.369 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.286 10.638 5.263 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.497 11.341 6.590 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -1.200 10.779 7.455 1.00 0.00 O ATOM 1058 OD2 ASP A 74 0.042 12.454 6.764 1.00 0.00 O ATOM 0 H ASP A 74 -0.270 8.717 3.620 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.147 9.634 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.531 9.923 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.016 11.368 4.512 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.096 10.784 2.590 1.00 0.00 N ATOM 1064 CA GLU A 75 -2.814 11.613 1.629 1.00 0.00 C ATOM 1065 C GLU A 75 -3.936 10.824 0.959 1.00 0.00 C ATOM 1066 O GLU A 75 -3.916 9.593 0.941 1.00 0.00 O ATOM 1067 CB GLU A 75 -1.850 12.151 0.570 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.026 13.337 1.046 1.00 0.00 C ATOM 1069 CD GLU A 75 -0.827 14.381 -0.036 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -1.732 15.221 -0.224 1.00 0.00 O ATOM 1071 OE2 GLU A 75 0.233 14.358 -0.695 1.00 0.00 O ATOM 0 H GLU A 75 -1.383 10.182 2.178 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.256 12.451 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.177 11.351 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.419 12.445 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.519 13.797 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.053 12.985 1.389 1.00 0.00 H new ATOM 1078 N PRO A 76 -4.937 11.525 0.397 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.071 10.884 -0.275 1.00 0.00 C ATOM 1080 C PRO A 76 -5.655 10.174 -1.559 1.00 0.00 C ATOM 1081 O PRO A 76 -5.572 10.789 -2.622 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.011 12.051 -0.590 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.128 13.250 -0.632 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.040 12.996 0.373 1.00 0.00 C ATOM 0 HA PRO A 76 -6.526 10.112 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.521 11.902 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.783 12.154 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.712 13.394 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.685 14.154 -0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.100 13.460 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.296 13.397 1.353 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.394 8.875 -1.453 1.00 0.00 N ATOM 1093 CA LEU A 77 -4.984 8.080 -2.606 1.00 0.00 C ATOM 1094 C LEU A 77 -5.533 6.661 -2.513 1.00 0.00 C ATOM 1095 O LEU A 77 -6.066 6.126 -3.485 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.458 8.044 -2.710 1.00 0.00 C ATOM 1097 CG LEU A 77 -2.807 9.357 -3.144 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.311 9.326 -2.876 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.081 9.626 -4.616 1.00 0.00 C ATOM 0 H LEU A 77 -5.459 8.350 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.392 8.549 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.050 7.757 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.176 7.265 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.243 10.167 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.865 10.269 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.135 9.180 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.858 8.506 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.610 10.565 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.673 8.813 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.157 9.693 -4.780 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.399 6.055 -1.337 1.00 0.00 N ATOM 1112 CA GLY A 78 -5.886 4.702 -1.138 1.00 0.00 C ATOM 1113 C GLY A 78 -7.361 4.561 -1.458 1.00 0.00 C ATOM 1114 O GLY A 78 -8.002 5.515 -1.896 1.00 0.00 O ATOM 0 H GLY A 78 -4.962 6.477 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.315 4.018 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.712 4.406 -0.104 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.900 3.366 -1.239 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.309 3.101 -1.507 1.00 0.00 C ATOM 1120 C LYS A 79 -9.977 2.440 -0.306 1.00 0.00 C ATOM 1121 O LYS A 79 -10.921 2.982 0.268 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.456 2.211 -2.742 1.00 0.00 C ATOM 1123 CG LYS A 79 -8.767 2.765 -3.978 1.00 0.00 C ATOM 1124 CD LYS A 79 -8.162 1.656 -4.824 1.00 0.00 C ATOM 1125 CE LYS A 79 -8.340 1.929 -6.309 1.00 0.00 C ATOM 1126 NZ LYS A 79 -7.143 2.589 -6.900 1.00 0.00 N ATOM 0 H LYS A 79 -7.382 2.565 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.803 4.054 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.047 1.225 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.516 2.075 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.485 3.328 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.985 3.463 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.101 1.560 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.630 0.705 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.532 0.991 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.215 2.562 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.305 2.758 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.975 3.496 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.313 1.974 -6.780 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.481 1.265 0.068 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.030 0.529 1.201 1.00 0.00 C ATOM 1142 C ASN A 80 -9.713 1.236 2.515 1.00 0.00 C ATOM 1143 O ASN A 80 -8.663 1.860 2.658 1.00 0.00 O ATOM 1144 CB ASN A 80 -9.473 -0.895 1.229 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.842 -1.684 -0.012 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.854 -2.385 -0.038 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -9.021 -1.575 -1.050 1.00 0.00 N ATOM 0 H ASN A 80 -8.700 0.802 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.113 0.487 1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.388 -0.856 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.850 -1.413 2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.218 -2.084 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.193 -0.983 -0.985 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.632 1.135 3.471 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.450 1.764 4.774 1.00 0.00 C ATOM 1156 C ASP A 81 -10.062 0.733 5.829 1.00 0.00 C ATOM 1157 O ASP A 81 -10.395 0.878 7.005 1.00 0.00 O ATOM 1158 CB ASP A 81 -11.731 2.487 5.197 1.00 0.00 C ATOM 1159 CG ASP A 81 -12.908 1.543 5.336 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.614 1.322 4.330 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.123 1.022 6.450 1.00 0.00 O ATOM 0 H ASP A 81 -11.509 0.624 3.368 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.641 2.490 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.562 2.995 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.970 3.256 4.463 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.357 -0.308 5.400 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.936 -1.349 6.319 1.00 0.00 C ATOM 1168 C GLY A 82 -9.642 -2.667 6.068 1.00 0.00 C ATOM 1169 O GLY A 82 -9.076 -3.735 6.302 1.00 0.00 O ATOM 0 H GLY A 82 -9.069 -0.450 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.860 -1.495 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.130 -1.026 7.342 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.879 -2.592 5.592 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.664 -3.787 5.310 1.00 0.00 C ATOM 1175 C ALA A 83 -11.482 -4.234 3.863 1.00 0.00 C ATOM 1176 O ALA A 83 -11.563 -3.426 2.939 1.00 0.00 O ATOM 1177 CB ALA A 83 -13.135 -3.535 5.605 1.00 0.00 C ATOM 0 H ALA A 83 -11.360 -1.715 5.393 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.307 -4.587 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.709 -4.436 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.255 -3.271 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.496 -2.717 4.981 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.235 -5.526 3.675 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.040 -6.082 2.342 1.00 0.00 C ATOM 1185 C VAL A 84 -11.954 -7.280 2.108 1.00 0.00 C ATOM 1186 O VAL A 84 -11.684 -8.382 2.586 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.578 -6.514 2.119 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.360 -6.943 0.675 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.624 -5.392 2.498 1.00 0.00 C ATOM 0 H VAL A 84 -11.165 -6.208 4.430 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.289 -5.293 1.632 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.371 -7.369 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.322 -7.244 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.015 -7.782 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.587 -6.110 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.597 -5.717 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -8.830 -4.516 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.760 -5.138 3.549 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.036 -7.058 1.370 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.991 -8.120 1.071 1.00 0.00 C ATOM 1201 C ALA A 85 -14.561 -8.722 2.351 1.00 0.00 C ATOM 1202 O ALA A 85 -14.903 -9.903 2.394 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.332 -9.198 0.226 1.00 0.00 C ATOM 0 H ALA A 85 -13.274 -6.152 0.967 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.816 -7.685 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.056 -9.984 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.980 -8.763 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.488 -9.621 0.770 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.662 -7.901 3.392 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.192 -8.371 4.659 1.00 0.00 C ATOM 1211 C GLY A 86 -14.108 -8.598 5.693 1.00 0.00 C ATOM 1212 O GLY A 86 -14.349 -8.468 6.893 1.00 0.00 O ATOM 0 H GLY A 86 -14.386 -6.919 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.908 -7.644 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.737 -9.301 4.499 1.00 0.00 H new ATOM 1216 N THR A 87 -12.910 -8.937 5.228 1.00 0.00 N ATOM 1217 CA THR A 87 -11.784 -9.183 6.122 1.00 0.00 C ATOM 1218 C THR A 87 -11.284 -7.880 6.737 1.00 0.00 C ATOM 1219 O THR A 87 -10.902 -6.951 6.023 1.00 0.00 O ATOM 1220 CB THR A 87 -10.648 -9.874 5.366 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.154 -10.899 4.529 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.614 -10.496 6.279 1.00 0.00 C ATOM 0 H THR A 87 -12.694 -9.048 4.237 1.00 0.00 H new ATOM 0 HA THR A 87 -12.125 -9.835 6.926 1.00 0.00 H new ATOM 0 HB THR A 87 -10.169 -9.088 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.413 -11.328 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.837 -10.969 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.169 -9.723 6.905 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.091 -11.245 6.912 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.288 -7.817 8.065 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.836 -6.626 8.776 1.00 0.00 C ATOM 1232 C ARG A 88 -9.337 -6.689 9.048 1.00 0.00 C ATOM 1233 O ARG A 88 -8.796 -7.749 9.364 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.599 -6.474 10.093 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.814 -5.026 10.507 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.144 -4.843 11.219 1.00 0.00 C ATOM 1237 NE ARG A 88 -13.750 -3.547 10.921 1.00 0.00 N ATOM 1238 CZ ARG A 88 -14.992 -3.213 11.262 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.764 -4.075 11.913 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.465 -2.013 10.952 1.00 0.00 N ATOM 0 H ARG A 88 -11.599 -8.577 8.670 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.035 -5.760 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.568 -6.965 10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.053 -6.992 10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.003 -4.709 11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.781 -4.385 9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.827 -5.639 10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.995 -4.935 12.295 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.188 -2.858 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.406 -4.999 12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.715 -3.813 12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.877 -1.346 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.417 -1.757 11.213 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.671 -5.546 8.925 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.233 -5.469 9.159 1.00 0.00 C ATOM 1256 C TYR A 89 -6.896 -4.308 10.090 1.00 0.00 C ATOM 1257 O TYR A 89 -6.391 -4.511 11.194 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.487 -5.308 7.833 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.605 -6.508 6.921 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.687 -6.649 6.063 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.632 -7.501 6.920 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -7.798 -7.744 5.228 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.737 -8.599 6.087 1.00 0.00 C ATOM 1264 CZ TYR A 89 -6.821 -8.717 5.245 1.00 0.00 C ATOM 1265 OH TYR A 89 -6.928 -9.810 4.415 1.00 0.00 O ATOM 0 H TYR A 89 -9.104 -4.660 8.665 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.917 -6.397 9.635 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.871 -4.429 7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.433 -5.121 8.039 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.455 -5.890 6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.782 -7.413 7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.646 -7.837 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.972 -9.361 6.096 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.157 -10.400 4.550 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.181 -3.092 9.637 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.909 -1.897 10.429 1.00 0.00 C ATOM 1277 C PHE A 90 -7.895 -0.784 10.089 1.00 0.00 C ATOM 1278 O PHE A 90 -7.872 -0.236 8.987 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.478 -1.414 10.190 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.197 -1.059 8.757 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -4.874 -2.044 7.837 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.255 0.257 8.331 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.615 -1.721 6.518 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -4.997 0.586 7.014 1.00 0.00 C ATOM 1285 CZ PHE A 90 -4.677 -0.404 6.106 1.00 0.00 C ATOM 0 H PHE A 90 -7.600 -2.907 8.726 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.027 -2.156 11.481 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.288 -0.542 10.816 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.783 -2.192 10.507 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.824 -3.075 8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.505 1.036 9.036 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.364 -2.498 5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.046 1.617 6.695 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.476 -0.149 5.076 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.761 -0.455 11.043 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.754 0.594 10.841 1.00 0.00 C ATOM 1297 C GLN A 91 -9.083 1.948 10.636 1.00 0.00 C ATOM 1298 O GLN A 91 -8.165 2.315 11.369 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.708 0.660 12.035 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.861 1.630 11.836 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.692 1.305 10.610 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -13.056 0.152 10.381 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.995 2.323 9.814 1.00 0.00 N ATOM 0 H GLN A 91 -8.795 -0.898 11.961 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.323 0.352 9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.110 -0.335 12.225 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.147 0.952 12.923 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.501 1.614 12.718 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.468 2.643 11.746 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.672 3.263 10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.551 2.165 8.974 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.550 2.687 9.636 1.00 0.00 N ATOM 1313 CA CYS A 92 -8.998 4.001 9.333 1.00 0.00 C ATOM 1314 C CYS A 92 -9.979 4.825 8.507 1.00 0.00 C ATOM 1315 O CYS A 92 -11.059 4.351 8.155 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.673 3.861 8.581 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.741 2.727 7.174 1.00 0.00 S ATOM 0 H CYS A 92 -10.311 2.398 9.021 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.819 4.518 10.276 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.362 4.844 8.227 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.908 3.516 9.276 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.744 1.895 7.239 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.597 6.060 8.201 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.444 6.949 7.415 1.00 0.00 C ATOM 1325 C GLN A 93 -10.604 6.426 5.989 1.00 0.00 C ATOM 1326 O GLN A 93 -9.695 5.799 5.444 1.00 0.00 O ATOM 1327 CB GLN A 93 -9.855 8.361 7.390 1.00 0.00 C ATOM 1328 CG GLN A 93 -9.797 9.019 8.759 1.00 0.00 C ATOM 1329 CD GLN A 93 -9.977 10.523 8.690 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -9.115 11.283 9.128 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -11.102 10.959 8.137 1.00 0.00 N ATOM 0 H GLN A 93 -8.706 6.468 8.485 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.427 6.983 7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.849 8.319 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.451 8.983 6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.572 8.593 9.396 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.839 8.792 9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.790 10.292 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.279 11.961 8.062 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.767 6.678 5.363 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.040 6.229 3.994 1.00 0.00 C ATOM 1342 C PRO A 94 -11.110 6.880 2.976 1.00 0.00 C ATOM 1343 O PRO A 94 -10.722 8.039 3.127 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.490 6.665 3.750 1.00 0.00 C ATOM 1345 CG PRO A 94 -13.735 7.756 4.735 1.00 0.00 C ATOM 1346 CD PRO A 94 -12.903 7.420 5.939 1.00 0.00 C ATOM 0 HA PRO A 94 -11.883 5.156 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.630 7.017 2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.182 5.836 3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.452 8.725 4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.792 7.817 4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.574 8.316 6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.458 6.815 6.656 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.755 6.126 1.941 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.868 6.629 0.898 1.00 0.00 C ATOM 1356 C LYS A 95 -8.503 6.996 1.476 1.00 0.00 C ATOM 1357 O LYS A 95 -8.072 8.146 1.396 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.492 7.846 0.211 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.943 7.639 -0.192 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.237 8.236 -1.560 1.00 0.00 C ATOM 1361 CE LYS A 95 -12.642 7.165 -2.562 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.464 7.724 -3.670 1.00 0.00 N ATOM 0 H LYS A 95 -11.068 5.165 1.802 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.728 5.839 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.428 8.703 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.908 8.091 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.169 6.573 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.596 8.095 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.035 8.973 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.355 8.762 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.748 6.696 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.205 6.384 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.719 6.963 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.329 8.149 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.918 8.452 -4.174 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.829 6.008 2.056 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.515 6.225 2.647 1.00 0.00 C ATOM 1378 C TYR A 96 -5.729 4.920 2.716 1.00 0.00 C ATOM 1379 O TYR A 96 -4.592 4.843 2.249 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.654 6.823 4.049 1.00 0.00 C ATOM 1381 CG TYR A 96 -6.779 8.330 4.056 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -5.763 9.133 3.552 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -7.912 8.949 4.567 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -5.873 10.510 3.557 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.031 10.327 4.576 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.008 11.102 4.069 1.00 0.00 C ATOM 1387 OH TYR A 96 -7.122 12.474 4.078 1.00 0.00 O ATOM 0 H TYR A 96 -8.172 5.050 2.129 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.971 6.925 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.530 6.392 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.787 6.536 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.873 8.673 3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.714 8.344 4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.074 11.120 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.919 10.793 4.977 1.00 0.00 H new ATOM 0 HH TYR A 96 -7.983 12.728 4.471 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.342 3.896 3.301 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.684 2.608 3.420 1.00 0.00 C ATOM 1399 C GLY A 97 -5.439 1.956 2.073 1.00 0.00 C ATOM 1400 O GLY A 97 -6.310 1.960 1.204 1.00 0.00 O ATOM 0 H GLY A 97 -7.282 3.935 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.733 2.736 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.295 1.947 4.035 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.246 1.393 1.900 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.887 0.735 0.650 1.00 0.00 C ATOM 1406 C LEU A 98 -3.001 -0.479 0.910 1.00 0.00 C ATOM 1407 O LEU A 98 -2.094 -0.431 1.742 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.170 1.716 -0.279 1.00 0.00 C ATOM 1409 CG LEU A 98 -3.054 1.262 -1.736 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.424 1.234 -2.396 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -2.109 2.174 -2.504 1.00 0.00 C ATOM 0 H LEU A 98 -3.513 1.380 2.610 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.805 0.396 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.698 2.669 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.168 1.895 0.111 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.645 0.252 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.322 0.909 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.072 0.541 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.861 2.232 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.038 1.837 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.490 3.195 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.121 2.144 -2.044 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.269 -1.566 0.194 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.495 -2.793 0.349 1.00 0.00 C ATOM 1425 C PHE A 99 -1.563 -3.004 -0.840 1.00 0.00 C ATOM 1426 O PHE A 99 -1.898 -2.660 -1.973 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.432 -3.995 0.496 1.00 0.00 C ATOM 1428 CG PHE A 99 -4.135 -4.048 1.822 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -5.211 -3.217 2.084 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.719 -4.930 2.806 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.861 -3.264 3.303 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -4.364 -4.982 4.027 1.00 0.00 C ATOM 1433 CZ PHE A 99 -5.436 -4.148 4.276 1.00 0.00 C ATOM 0 H PHE A 99 -4.016 -1.623 -0.499 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.889 -2.699 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.176 -3.965 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.858 -4.912 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.546 -2.524 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.881 -5.584 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.700 -2.611 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.030 -5.674 4.786 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.941 -4.187 5.230 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.392 -3.574 -0.572 1.00 0.00 N ATOM 1444 CA ALA A 100 0.589 -3.831 -1.619 1.00 0.00 C ATOM 1445 C ALA A 100 1.594 -4.895 -1.181 1.00 0.00 C ATOM 1446 O ALA A 100 1.908 -5.012 0.003 1.00 0.00 O ATOM 1447 CB ALA A 100 1.310 -2.545 -1.995 1.00 0.00 C ATOM 0 H ALA A 100 -0.100 -3.866 0.361 1.00 0.00 H new ATOM 0 HA ALA A 100 0.059 -4.206 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.039 -2.752 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.586 -1.815 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.821 -2.145 -1.119 1.00 0.00 H new ATOM 1453 N PRO A 101 2.115 -5.688 -2.135 1.00 0.00 N ATOM 1454 CA PRO A 101 3.088 -6.743 -1.837 1.00 0.00 C ATOM 1455 C PRO A 101 4.347 -6.195 -1.174 1.00 0.00 C ATOM 1456 O PRO A 101 4.897 -5.183 -1.608 1.00 0.00 O ATOM 1457 CB PRO A 101 3.426 -7.335 -3.210 1.00 0.00 C ATOM 1458 CG PRO A 101 2.309 -6.922 -4.106 1.00 0.00 C ATOM 1459 CD PRO A 101 1.798 -5.616 -3.571 1.00 0.00 C ATOM 0 HA PRO A 101 2.685 -7.474 -1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.382 -6.959 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.508 -8.421 -3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.656 -6.812 -5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.520 -7.674 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.287 -4.767 -4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.727 -5.504 -3.741 1.00 0.00 H new ATOM 1467 N VAL A 102 4.799 -6.868 -0.121 1.00 0.00 N ATOM 1468 CA VAL A 102 5.994 -6.447 0.601 1.00 0.00 C ATOM 1469 C VAL A 102 7.181 -6.274 -0.342 1.00 0.00 C ATOM 1470 O VAL A 102 7.864 -5.250 -0.313 1.00 0.00 O ATOM 1471 CB VAL A 102 6.371 -7.453 1.707 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.369 -7.393 2.849 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.462 -8.863 1.142 1.00 0.00 C ATOM 0 H VAL A 102 4.356 -7.708 0.251 1.00 0.00 H new ATOM 0 HA VAL A 102 5.759 -5.487 1.060 1.00 0.00 H new ATOM 0 HB VAL A 102 7.351 -7.180 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.652 -8.110 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.360 -6.389 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.375 -7.637 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.729 -9.558 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.499 -9.149 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.224 -8.894 0.363 1.00 0.00 H new ATOM 1483 N HIS A 103 7.420 -7.278 -1.181 1.00 0.00 N ATOM 1484 CA HIS A 103 8.524 -7.233 -2.134 1.00 0.00 C ATOM 1485 C HIS A 103 8.427 -5.999 -3.026 1.00 0.00 C ATOM 1486 O HIS A 103 9.437 -5.494 -3.515 1.00 0.00 O ATOM 1487 CB HIS A 103 8.539 -8.499 -2.992 1.00 0.00 C ATOM 1488 CG HIS A 103 7.261 -8.735 -3.735 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.014 -8.266 -5.006 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.145 -9.413 -3.362 1.00 0.00 C ATOM 1491 CE1 HIS A 103 5.783 -8.664 -5.359 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.214 -9.363 -4.396 1.00 0.00 N ATOM 0 H HIS A 103 6.864 -8.132 -1.220 1.00 0.00 H new ATOM 0 HA HIS A 103 9.454 -7.176 -1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.359 -8.433 -3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.742 -9.358 -2.353 1.00 0.00 H new ATOM 0 HD1 HIS A 103 7.654 -7.714 -5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.002 -9.911 -2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.318 -8.441 -6.308 1.00 0.00 H new ATOM 1500 N LYS A 104 7.205 -5.517 -3.231 1.00 0.00 N ATOM 1501 CA LYS A 104 6.979 -4.340 -4.061 1.00 0.00 C ATOM 1502 C LYS A 104 7.123 -3.060 -3.241 1.00 0.00 C ATOM 1503 O LYS A 104 7.429 -1.997 -3.781 1.00 0.00 O ATOM 1504 CB LYS A 104 5.589 -4.400 -4.700 1.00 0.00 C ATOM 1505 CG LYS A 104 5.620 -4.658 -6.199 1.00 0.00 C ATOM 1506 CD LYS A 104 4.473 -5.557 -6.634 1.00 0.00 C ATOM 1507 CE LYS A 104 4.343 -5.601 -8.147 1.00 0.00 C ATOM 1508 NZ LYS A 104 5.294 -6.571 -8.760 1.00 0.00 N ATOM 0 H LYS A 104 6.358 -5.923 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 104 7.732 -4.331 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.009 -5.186 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.071 -3.460 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.563 -3.710 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.569 -5.121 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.635 -6.565 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.541 -5.197 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.323 -5.874 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.525 -4.607 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.173 -6.570 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.269 -6.296 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.104 -7.524 -8.390 1.00 0.00 H new ATOM 1522 N VAL A 105 6.901 -3.171 -1.934 1.00 0.00 N ATOM 1523 CA VAL A 105 7.007 -2.021 -1.043 1.00 0.00 C ATOM 1524 C VAL A 105 8.464 -1.715 -0.715 1.00 0.00 C ATOM 1525 O VAL A 105 9.311 -2.609 -0.710 1.00 0.00 O ATOM 1526 CB VAL A 105 6.237 -2.255 0.270 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.195 -0.981 1.100 1.00 0.00 C ATOM 1528 CG2 VAL A 105 4.830 -2.761 -0.017 1.00 0.00 C ATOM 0 H VAL A 105 6.647 -4.043 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 105 6.567 -1.172 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 105 6.761 -3.018 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.647 -1.166 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.212 -0.668 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.696 -0.194 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.302 -2.920 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.293 -2.024 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.886 -3.701 -0.565 1.00 0.00 H new ATOM 1538 N THR A 106 8.750 -0.447 -0.442 1.00 0.00 N ATOM 1539 CA THR A 106 10.106 -0.022 -0.112 1.00 0.00 C ATOM 1540 C THR A 106 10.144 0.661 1.252 1.00 0.00 C ATOM 1541 O THR A 106 9.120 1.122 1.755 1.00 0.00 O ATOM 1542 CB THR A 106 10.641 0.927 -1.186 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.053 0.643 -2.443 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.143 0.854 -1.355 1.00 0.00 C ATOM 0 H THR A 106 8.061 0.305 -0.443 1.00 0.00 H new ATOM 0 HA THR A 106 10.739 -0.908 -0.073 1.00 0.00 H new ATOM 0 HB THR A 106 10.379 1.928 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 106 9.172 1.069 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.456 1.552 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.628 1.116 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.428 -0.159 -1.641 1.00 0.00 H new ATOM 1552 N LYS A 107 11.333 0.720 1.845 1.00 0.00 N ATOM 1553 CA LYS A 107 11.503 1.347 3.151 1.00 0.00 C ATOM 1554 C LYS A 107 12.129 2.731 3.013 1.00 0.00 C ATOM 1555 O LYS A 107 12.940 2.969 2.117 1.00 0.00 O ATOM 1556 CB LYS A 107 12.373 0.468 4.053 1.00 0.00 C ATOM 1557 CG LYS A 107 12.351 0.886 5.514 1.00 0.00 C ATOM 1558 CD LYS A 107 12.962 -0.181 6.407 1.00 0.00 C ATOM 1559 CE LYS A 107 13.785 0.434 7.528 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.328 -0.601 8.452 1.00 0.00 N ATOM 0 H LYS A 107 12.191 0.342 1.443 1.00 0.00 H new ATOM 0 HA LYS A 107 10.518 1.457 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.035 -0.565 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.401 0.496 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.899 1.821 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.323 1.077 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.170 -0.798 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.593 -0.839 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.608 1.007 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.167 1.134 8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.883 -0.141 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.542 -1.132 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.939 -1.254 7.921 1.00 0.00 H new ATOM 1574 N ILE A 108 11.745 3.639 3.902 1.00 0.00 N ATOM 1575 CA ILE A 108 12.268 4.999 3.879 1.00 0.00 C ATOM 1576 C ILE A 108 12.650 5.465 5.281 1.00 0.00 C ATOM 1577 O ILE A 108 11.801 5.563 6.166 1.00 0.00 O ATOM 1578 CB ILE A 108 11.247 5.987 3.282 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.866 5.764 3.902 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.185 5.834 1.770 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.063 7.037 4.061 1.00 0.00 C ATOM 0 H ILE A 108 11.073 3.458 4.648 1.00 0.00 H new ATOM 0 HA ILE A 108 13.157 4.984 3.248 1.00 0.00 H new ATOM 0 HB ILE A 108 11.568 7.003 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.306 5.066 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.986 5.295 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.460 6.538 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.167 6.037 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.884 4.817 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.096 6.804 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.603 7.729 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.911 7.496 3.084 1.00 0.00 H new