USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 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+ -174:sc= -0.65 (180deg=-0.715) USER MOD Single : A 50 THR OG1 : rot -30:sc= 0.545 USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= 0.73 (180deg=0.133) USER MOD Single : A 61 THR OG1 : rot 59:sc= -1.38 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 10:sc= -2.08! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.023) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.968 K(o=-0.97,f=-5!) 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= -2.29! C(o=-2.3!,f=-4.6!) USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0162) 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 9.599 -5.657 7.266 1.00 0.00 N ATOM 522 CA LEU A 39 9.119 -4.457 7.941 1.00 0.00 C ATOM 523 C LEU A 39 8.283 -4.819 9.164 1.00 0.00 C ATOM 524 O LEU A 39 7.999 -5.992 9.409 1.00 0.00 O ATOM 525 CB LEU A 39 8.292 -3.602 6.980 1.00 0.00 C ATOM 526 CG LEU A 39 8.946 -3.336 5.623 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.896 -3.279 4.525 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.747 -2.043 5.663 1.00 0.00 C ATOM 0 HA LEU A 39 9.986 -3.885 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.333 -4.093 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.081 -2.645 7.458 1.00 0.00 H new ATOM 0 HG LEU A 39 9.628 -4.158 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.381 -3.089 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.364 -4.230 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.189 -2.478 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.206 -1.869 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.085 -1.212 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.525 -2.121 6.422 1.00 0.00 H new ATOM 540 N LYS A 40 7.893 -3.804 9.928 1.00 0.00 N ATOM 541 CA LYS A 40 7.090 -4.015 11.127 1.00 0.00 C ATOM 542 C LYS A 40 5.938 -3.017 11.192 1.00 0.00 C ATOM 543 O LYS A 40 5.751 -2.210 10.281 1.00 0.00 O ATOM 544 CB LYS A 40 7.960 -3.889 12.379 1.00 0.00 C ATOM 545 CG LYS A 40 8.719 -2.575 12.463 1.00 0.00 C ATOM 546 CD LYS A 40 9.890 -2.670 13.428 1.00 0.00 C ATOM 547 CE LYS A 40 11.184 -3.005 12.703 1.00 0.00 C ATOM 548 NZ LYS A 40 11.036 -4.201 11.829 1.00 0.00 N ATOM 0 H LYS A 40 8.120 -2.828 9.738 1.00 0.00 H new ATOM 0 HA LYS A 40 6.674 -5.022 11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.329 -3.991 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.673 -4.713 12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.083 -2.300 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.043 -1.783 12.786 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.003 -1.725 13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.684 -3.434 14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.494 -2.151 12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.973 -3.184 13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.962 -4.458 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.667 -4.996 12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.375 -3.986 11.055 1.00 0.00 H new ATOM 562 N ILE A 41 5.169 -3.077 12.274 1.00 0.00 N ATOM 563 CA ILE A 41 4.036 -2.178 12.456 1.00 0.00 C ATOM 564 C ILE A 41 4.445 -0.928 13.228 1.00 0.00 C ATOM 565 O ILE A 41 4.804 -1.001 14.403 1.00 0.00 O ATOM 566 CB ILE A 41 2.882 -2.873 13.203 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.594 -4.241 12.583 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.635 -2.001 13.181 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.250 -4.176 11.111 1.00 0.00 C ATOM 0 H ILE A 41 5.310 -3.738 13.038 1.00 0.00 H new ATOM 0 HA ILE A 41 3.696 -1.893 11.461 1.00 0.00 H new ATOM 0 HB ILE A 41 3.179 -3.022 14.241 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.465 -4.882 12.716 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.769 -4.708 13.121 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.829 -2.506 13.713 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.849 -1.048 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.333 -1.823 12.149 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.058 -5.182 10.737 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.361 -3.561 10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.083 -3.738 10.562 1.00 0.00 H new ATOM 581 N GLY A 42 4.389 0.219 12.558 1.00 0.00 N ATOM 582 CA GLY A 42 4.757 1.469 13.197 1.00 0.00 C ATOM 583 C GLY A 42 5.645 2.329 12.320 1.00 0.00 C ATOM 584 O GLY A 42 5.455 3.542 12.232 1.00 0.00 O ATOM 0 H GLY A 42 4.096 0.305 11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.854 2.024 13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.273 1.257 14.134 1.00 0.00 H new ATOM 588 N ASP A 43 6.620 1.700 11.670 1.00 0.00 N ATOM 589 CA ASP A 43 7.541 2.415 10.796 1.00 0.00 C ATOM 590 C ASP A 43 6.838 2.874 9.523 1.00 0.00 C ATOM 591 O ASP A 43 5.679 2.535 9.285 1.00 0.00 O ATOM 592 CB ASP A 43 8.736 1.525 10.443 1.00 0.00 C ATOM 593 CG ASP A 43 9.970 1.867 11.255 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.982 1.570 12.468 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.923 2.430 10.678 1.00 0.00 O ATOM 0 H ASP A 43 6.792 0.697 11.733 1.00 0.00 H new ATOM 0 HA ASP A 43 7.898 3.296 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.471 0.481 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.962 1.629 9.382 1.00 0.00 H new ATOM 600 N ARG A 44 7.547 3.649 8.707 1.00 0.00 N ATOM 601 CA ARG A 44 6.991 4.155 7.458 1.00 0.00 C ATOM 602 C ARG A 44 7.575 3.411 6.262 1.00 0.00 C ATOM 603 O ARG A 44 8.517 2.631 6.403 1.00 0.00 O ATOM 604 CB ARG A 44 7.266 5.655 7.324 1.00 0.00 C ATOM 605 CG ARG A 44 6.202 6.527 7.973 1.00 0.00 C ATOM 606 CD ARG A 44 5.522 7.431 6.957 1.00 0.00 C ATOM 607 NE ARG A 44 4.740 8.485 7.599 1.00 0.00 N ATOM 608 CZ ARG A 44 4.342 9.594 6.981 1.00 0.00 C ATOM 609 NH1 ARG A 44 4.650 9.799 5.707 1.00 0.00 N ATOM 610 NH2 ARG A 44 3.635 10.503 7.639 1.00 0.00 N ATOM 0 H ARG A 44 8.508 3.940 8.889 1.00 0.00 H new ATOM 0 HA ARG A 44 5.914 3.990 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.233 5.881 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.338 5.910 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.456 5.894 8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.657 7.135 8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.276 7.881 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.871 6.834 6.319 1.00 0.00 H new ATOM 0 HE ARG A 44 4.484 8.363 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.195 9.104 5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.342 10.651 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.396 10.352 8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.330 11.353 7.165 1.00 0.00 H new ATOM 624 N VAL A 45 7.010 3.658 5.085 1.00 0.00 N ATOM 625 CA VAL A 45 7.474 3.011 3.864 1.00 0.00 C ATOM 626 C VAL A 45 7.067 3.809 2.630 1.00 0.00 C ATOM 627 O VAL A 45 6.421 4.851 2.738 1.00 0.00 O ATOM 628 CB VAL A 45 6.920 1.579 3.740 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.607 0.653 4.731 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.412 1.571 3.947 1.00 0.00 C ATOM 0 H VAL A 45 6.230 4.302 4.951 1.00 0.00 H new ATOM 0 HA VAL A 45 8.561 2.968 3.924 1.00 0.00 H new ATOM 0 HB VAL A 45 7.128 1.214 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.203 -0.354 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.678 0.636 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.433 1.012 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.038 0.551 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.179 1.956 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.938 2.200 3.194 1.00 0.00 H new ATOM 640 N LEU A 46 7.450 3.313 1.457 1.00 0.00 N ATOM 641 CA LEU A 46 7.126 3.979 0.202 1.00 0.00 C ATOM 642 C LEU A 46 6.870 2.959 -0.904 1.00 0.00 C ATOM 643 O LEU A 46 7.459 1.878 -0.914 1.00 0.00 O ATOM 644 CB LEU A 46 8.259 4.922 -0.208 1.00 0.00 C ATOM 645 CG LEU A 46 8.059 5.630 -1.548 1.00 0.00 C ATOM 646 CD1 LEU A 46 7.014 6.726 -1.421 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.378 6.203 -2.048 1.00 0.00 C ATOM 0 H LEU A 46 7.985 2.451 1.351 1.00 0.00 H new ATOM 0 HA LEU A 46 6.217 4.561 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.383 5.676 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.188 4.353 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 46 7.703 4.900 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.885 7.219 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.066 6.290 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.341 7.456 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.218 6.704 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.762 6.920 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.099 5.396 -2.177 1.00 0.00 H new ATOM 659 N VAL A 47 5.990 3.312 -1.835 1.00 0.00 N ATOM 660 CA VAL A 47 5.657 2.428 -2.945 1.00 0.00 C ATOM 661 C VAL A 47 5.484 3.217 -4.241 1.00 0.00 C ATOM 662 O VAL A 47 4.597 4.064 -4.350 1.00 0.00 O ATOM 663 CB VAL A 47 4.369 1.629 -2.660 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.184 2.565 -2.476 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.100 0.630 -3.777 1.00 0.00 C ATOM 0 H VAL A 47 5.495 4.204 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 47 6.487 1.730 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 47 4.509 1.074 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.286 1.980 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.376 3.234 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.040 3.152 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.187 0.076 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.983 1.162 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.937 -0.065 -3.853 1.00 0.00 H new ATOM 675 N GLY A 48 6.335 2.931 -5.220 1.00 0.00 N ATOM 676 CA GLY A 48 6.260 3.621 -6.493 1.00 0.00 C ATOM 677 C GLY A 48 7.224 4.788 -6.580 1.00 0.00 C ATOM 678 O GLY A 48 7.670 5.155 -7.667 1.00 0.00 O ATOM 0 H GLY A 48 7.076 2.233 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.474 2.917 -7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.243 3.982 -6.647 1.00 0.00 H new ATOM 682 N GLY A 49 7.547 5.372 -5.431 1.00 0.00 N ATOM 683 CA GLY A 49 8.463 6.497 -5.403 1.00 0.00 C ATOM 684 C GLY A 49 7.766 7.808 -5.090 1.00 0.00 C ATOM 685 O GLY A 49 8.238 8.877 -5.476 1.00 0.00 O ATOM 0 H GLY A 49 7.191 5.086 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.236 6.313 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.964 6.577 -6.368 1.00 0.00 H new ATOM 689 N THR A 50 6.640 7.724 -4.388 1.00 0.00 N ATOM 690 CA THR A 50 5.877 8.912 -4.024 1.00 0.00 C ATOM 691 C THR A 50 4.880 8.597 -2.913 1.00 0.00 C ATOM 692 O THR A 50 4.887 9.235 -1.860 1.00 0.00 O ATOM 693 CB THR A 50 5.139 9.465 -5.244 1.00 0.00 C ATOM 694 OG1 THR A 50 6.028 9.628 -6.336 1.00 0.00 O ATOM 695 CG2 THR A 50 4.477 10.802 -4.988 1.00 0.00 C ATOM 0 H THR A 50 6.236 6.846 -4.060 1.00 0.00 H new ATOM 0 HA THR A 50 6.576 9.665 -3.660 1.00 0.00 H new ATOM 0 HB THR A 50 4.365 8.732 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.927 9.823 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.972 11.137 -5.894 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.749 10.699 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.233 11.534 -4.703 1.00 0.00 H new ATOM 703 N LYS A 51 4.024 7.610 -3.157 1.00 0.00 N ATOM 704 CA LYS A 51 3.021 7.210 -2.177 1.00 0.00 C ATOM 705 C LYS A 51 3.676 6.572 -0.957 1.00 0.00 C ATOM 706 O LYS A 51 4.120 5.424 -1.007 1.00 0.00 O ATOM 707 CB LYS A 51 2.026 6.233 -2.806 1.00 0.00 C ATOM 708 CG LYS A 51 1.149 6.862 -3.876 1.00 0.00 C ATOM 709 CD LYS A 51 0.080 5.895 -4.359 1.00 0.00 C ATOM 710 CE LYS A 51 -0.890 5.530 -3.246 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.308 5.661 -3.680 1.00 0.00 N ATOM 0 H LYS A 51 4.005 7.073 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 51 2.488 8.104 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.575 5.399 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.390 5.821 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.676 7.760 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.767 7.173 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.468 6.343 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.553 4.990 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.703 4.506 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.713 6.174 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.926 5.689 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.424 6.539 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.566 4.847 -4.274 1.00 0.00 H new ATOM 725 N ALA A 52 3.731 7.321 0.139 1.00 0.00 N ATOM 726 CA ALA A 52 4.331 6.830 1.373 1.00 0.00 C ATOM 727 C ALA A 52 3.320 6.834 2.514 1.00 0.00 C ATOM 728 O ALA A 52 2.622 7.824 2.734 1.00 0.00 O ATOM 729 CB ALA A 52 5.546 7.669 1.738 1.00 0.00 C ATOM 0 H ALA A 52 3.367 8.272 0.197 1.00 0.00 H new ATOM 0 HA ALA A 52 4.650 5.801 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.985 7.292 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.282 7.611 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.243 8.707 1.878 1.00 0.00 H new ATOM 735 N GLY A 53 3.245 5.721 3.237 1.00 0.00 N ATOM 736 CA GLY A 53 2.316 5.618 4.346 1.00 0.00 C ATOM 737 C GLY A 53 2.899 4.860 5.523 1.00 0.00 C ATOM 738 O GLY A 53 4.010 4.336 5.443 1.00 0.00 O ATOM 0 H GLY A 53 3.812 4.889 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.028 6.619 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.408 5.118 4.010 1.00 0.00 H new ATOM 742 N VAL A 54 2.147 4.803 6.618 1.00 0.00 N ATOM 743 CA VAL A 54 2.595 4.105 7.816 1.00 0.00 C ATOM 744 C VAL A 54 2.024 2.691 7.872 1.00 0.00 C ATOM 745 O VAL A 54 0.884 2.455 7.472 1.00 0.00 O ATOM 746 CB VAL A 54 2.187 4.862 9.094 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.798 4.206 10.323 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.596 6.325 9.003 1.00 0.00 C ATOM 0 H VAL A 54 1.225 5.232 6.699 1.00 0.00 H new ATOM 0 HA VAL A 54 3.683 4.055 7.765 1.00 0.00 H new ATOM 0 HB VAL A 54 1.102 4.817 9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.498 4.755 11.216 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.450 3.176 10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.885 4.216 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.299 6.843 9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.677 6.394 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.105 6.788 8.147 1.00 0.00 H new ATOM 758 N VAL A 55 2.824 1.754 8.372 1.00 0.00 N ATOM 759 CA VAL A 55 2.398 0.365 8.480 1.00 0.00 C ATOM 760 C VAL A 55 1.385 0.188 9.607 1.00 0.00 C ATOM 761 O VAL A 55 1.709 0.373 10.781 1.00 0.00 O ATOM 762 CB VAL A 55 3.596 -0.573 8.728 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.157 -2.028 8.680 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.700 -0.308 7.716 1.00 0.00 C ATOM 0 H VAL A 55 3.770 1.932 8.708 1.00 0.00 H new ATOM 0 HA VAL A 55 1.932 0.102 7.531 1.00 0.00 H new ATOM 0 HB VAL A 55 3.991 -0.371 9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.017 -2.674 8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.405 -2.207 9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.734 -2.248 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.537 -0.979 7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.319 -0.480 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.036 0.725 7.806 1.00 0.00 H new ATOM 774 N ARG A 56 0.159 -0.171 9.243 1.00 0.00 N ATOM 775 CA ARG A 56 -0.902 -0.374 10.222 1.00 0.00 C ATOM 776 C ARG A 56 -1.222 -1.856 10.381 1.00 0.00 C ATOM 777 O ARG A 56 -1.568 -2.313 11.470 1.00 0.00 O ATOM 778 CB ARG A 56 -2.161 0.391 9.805 1.00 0.00 C ATOM 779 CG ARG A 56 -2.052 1.895 9.996 1.00 0.00 C ATOM 780 CD ARG A 56 -2.109 2.279 11.465 1.00 0.00 C ATOM 781 NE ARG A 56 -0.852 2.865 11.927 1.00 0.00 N ATOM 782 CZ ARG A 56 -0.735 3.588 13.038 1.00 0.00 C ATOM 783 NH1 ARG A 56 -1.793 3.816 13.805 1.00 0.00 N ATOM 784 NH2 ARG A 56 0.446 4.083 13.384 1.00 0.00 N ATOM 0 H ARG A 56 -0.125 -0.328 8.276 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.554 0.007 11.182 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.373 0.181 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.009 0.021 10.382 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.117 2.250 9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.861 2.390 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.920 2.990 11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.338 1.396 12.062 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.015 2.711 11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.703 3.436 13.544 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.696 4.371 14.655 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.263 3.909 12.799 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.537 4.637 14.235 1.00 0.00 H new ATOM 798 N PHE A 57 -1.105 -2.602 9.287 1.00 0.00 N ATOM 799 CA PHE A 57 -1.382 -4.033 9.306 1.00 0.00 C ATOM 800 C PHE A 57 -0.382 -4.792 8.440 1.00 0.00 C ATOM 801 O PHE A 57 0.168 -4.245 7.484 1.00 0.00 O ATOM 802 CB PHE A 57 -2.805 -4.303 8.815 1.00 0.00 C ATOM 803 CG PHE A 57 -3.247 -5.727 9.002 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.845 -6.713 8.116 1.00 0.00 C ATOM 805 CD2 PHE A 57 -4.064 -6.079 10.065 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.249 -8.024 8.286 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.472 -7.387 10.240 1.00 0.00 C ATOM 808 CZ PHE A 57 -4.064 -8.361 9.349 1.00 0.00 C ATOM 0 H PHE A 57 -0.820 -2.239 8.377 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.285 -4.383 10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.494 -3.645 9.345 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.870 -4.047 7.757 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.209 -6.454 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.385 -5.322 10.765 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.928 -8.784 7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.109 -7.648 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.382 -9.384 9.484 1.00 0.00 H new ATOM 818 N LEU A 58 -0.152 -6.057 8.780 1.00 0.00 N ATOM 819 CA LEU A 58 0.782 -6.892 8.033 1.00 0.00 C ATOM 820 C LEU A 58 0.355 -8.355 8.072 1.00 0.00 C ATOM 821 O LEU A 58 0.120 -8.916 9.143 1.00 0.00 O ATOM 822 CB LEU A 58 2.196 -6.746 8.599 1.00 0.00 C ATOM 823 CG LEU A 58 3.256 -7.620 7.926 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.263 -7.389 6.423 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.629 -7.341 8.519 1.00 0.00 C ATOM 0 H LEU A 58 -0.600 -6.526 9.568 1.00 0.00 H new ATOM 0 HA LEU A 58 0.778 -6.558 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.499 -5.703 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.172 -6.985 9.662 1.00 0.00 H new ATOM 0 HG LEU A 58 3.009 -8.666 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.023 -8.019 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.285 -7.640 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.486 -6.342 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.372 -7.971 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.885 -6.293 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.615 -7.559 9.587 1.00 0.00 H new ATOM 837 N GLY A 59 0.255 -8.969 6.897 1.00 0.00 N ATOM 838 CA GLY A 59 -0.144 -10.362 6.819 1.00 0.00 C ATOM 839 C GLY A 59 -0.396 -10.814 5.396 1.00 0.00 C ATOM 840 O GLY A 59 0.318 -10.417 4.474 1.00 0.00 O ATOM 0 H GLY A 59 0.443 -8.526 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.633 -10.985 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.048 -10.511 7.410 1.00 0.00 H new ATOM 844 N GLU A 60 -1.414 -11.650 5.213 1.00 0.00 N ATOM 845 CA GLU A 60 -1.760 -12.158 3.891 1.00 0.00 C ATOM 846 C GLU A 60 -3.017 -11.478 3.359 1.00 0.00 C ATOM 847 O GLU A 60 -3.850 -11.003 4.129 1.00 0.00 O ATOM 848 CB GLU A 60 -1.966 -13.672 3.942 1.00 0.00 C ATOM 849 CG GLU A 60 -0.670 -14.465 3.890 1.00 0.00 C ATOM 850 CD GLU A 60 -0.905 -15.958 3.763 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.333 -16.401 2.677 1.00 0.00 O ATOM 852 OE2 GLU A 60 -0.659 -16.683 4.750 1.00 0.00 O ATOM 0 H GLU A 60 -2.014 -11.990 5.965 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.935 -11.934 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.502 -13.927 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.600 -13.972 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.072 -14.122 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.091 -14.267 4.792 1.00 0.00 H new ATOM 859 N THR A 61 -3.147 -11.436 2.037 1.00 0.00 N ATOM 860 CA THR A 61 -4.303 -10.815 1.402 1.00 0.00 C ATOM 861 C THR A 61 -5.280 -11.871 0.895 1.00 0.00 C ATOM 862 O THR A 61 -4.915 -13.035 0.721 1.00 0.00 O ATOM 863 CB THR A 61 -3.856 -9.920 0.246 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.706 -10.454 -0.386 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.529 -8.506 0.675 1.00 0.00 C ATOM 0 H THR A 61 -2.466 -11.825 1.385 1.00 0.00 H new ATOM 0 HA THR A 61 -4.812 -10.206 2.149 1.00 0.00 H new ATOM 0 HB THR A 61 -4.704 -9.888 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.905 -11.353 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.219 -7.925 -0.193 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.411 -8.048 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.721 -8.525 1.406 1.00 0.00 H new ATOM 873 N ASP A 62 -6.521 -11.459 0.661 1.00 0.00 N ATOM 874 CA ASP A 62 -7.550 -12.369 0.173 1.00 0.00 C ATOM 875 C ASP A 62 -7.756 -12.206 -1.329 1.00 0.00 C ATOM 876 O ASP A 62 -8.860 -12.390 -1.839 1.00 0.00 O ATOM 877 CB ASP A 62 -8.868 -12.123 0.909 1.00 0.00 C ATOM 878 CG ASP A 62 -9.625 -13.408 1.188 1.00 0.00 C ATOM 879 OD1 ASP A 62 -9.379 -14.023 2.247 1.00 0.00 O ATOM 880 OD2 ASP A 62 -10.462 -13.798 0.347 1.00 0.00 O ATOM 0 H ASP A 62 -6.839 -10.500 0.802 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.217 -13.389 0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.665 -11.613 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.494 -11.458 0.314 1.00 0.00 H new ATOM 885 N PHE A 63 -6.682 -11.860 -2.033 1.00 0.00 N ATOM 886 CA PHE A 63 -6.744 -11.673 -3.478 1.00 0.00 C ATOM 887 C PHE A 63 -5.394 -11.964 -4.123 1.00 0.00 C ATOM 888 O PHE A 63 -5.313 -12.674 -5.125 1.00 0.00 O ATOM 889 CB PHE A 63 -7.183 -10.245 -3.810 1.00 0.00 C ATOM 890 CG PHE A 63 -6.318 -9.190 -3.179 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.196 -8.713 -3.837 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.629 -8.676 -1.931 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.399 -7.742 -3.260 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.836 -7.705 -1.349 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.720 -7.237 -2.015 1.00 0.00 C ATOM 0 H PHE A 63 -5.760 -11.704 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.476 -12.374 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.173 -10.113 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.213 -10.104 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.941 -9.104 -4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.501 -9.038 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.526 -7.379 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.089 -7.313 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.099 -6.477 -1.563 1.00 0.00 H new ATOM 905 N ALA A 64 -4.334 -11.411 -3.540 1.00 0.00 N ATOM 906 CA ALA A 64 -2.987 -11.612 -4.057 1.00 0.00 C ATOM 907 C ALA A 64 -2.461 -12.997 -3.696 1.00 0.00 C ATOM 908 O ALA A 64 -3.040 -13.694 -2.863 1.00 0.00 O ATOM 909 CB ALA A 64 -2.053 -10.535 -3.527 1.00 0.00 C ATOM 0 H ALA A 64 -4.383 -10.821 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.027 -11.540 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.050 -10.697 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.412 -9.555 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.027 -10.580 -2.438 1.00 0.00 H new ATOM 915 N LYS A 65 -1.359 -13.390 -4.327 1.00 0.00 N ATOM 916 CA LYS A 65 -0.756 -14.693 -4.073 1.00 0.00 C ATOM 917 C LYS A 65 0.526 -14.560 -3.250 1.00 0.00 C ATOM 918 O LYS A 65 1.311 -15.504 -3.155 1.00 0.00 O ATOM 919 CB LYS A 65 -0.454 -15.400 -5.394 1.00 0.00 C ATOM 920 CG LYS A 65 -0.816 -16.875 -5.391 1.00 0.00 C ATOM 921 CD LYS A 65 -2.116 -17.135 -6.136 1.00 0.00 C ATOM 922 CE LYS A 65 -2.001 -16.765 -7.607 1.00 0.00 C ATOM 923 NZ LYS A 65 -2.449 -17.873 -8.494 1.00 0.00 N ATOM 0 H LYS A 65 -0.866 -12.825 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.469 -15.286 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.999 -14.902 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.608 -15.295 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.011 -17.448 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.909 -17.225 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.384 -18.188 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.920 -16.560 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.600 -15.876 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.966 -16.511 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.355 -17.582 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.861 -18.714 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.444 -18.099 -8.292 1.00 0.00 H new ATOM 937 N GLY A 66 0.734 -13.387 -2.658 1.00 0.00 N ATOM 938 CA GLY A 66 1.922 -13.163 -1.856 1.00 0.00 C ATOM 939 C GLY A 66 1.631 -12.379 -0.593 1.00 0.00 C ATOM 940 O GLY A 66 0.479 -12.048 -0.311 1.00 0.00 O ATOM 0 H GLY A 66 0.101 -12.589 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.363 -14.124 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.662 -12.627 -2.450 1.00 0.00 H new ATOM 944 N GLU A 67 2.676 -12.081 0.171 1.00 0.00 N ATOM 945 CA GLU A 67 2.528 -11.330 1.412 1.00 0.00 C ATOM 946 C GLU A 67 2.503 -9.829 1.140 1.00 0.00 C ATOM 947 O GLU A 67 3.470 -9.264 0.632 1.00 0.00 O ATOM 948 CB GLU A 67 3.668 -11.666 2.376 1.00 0.00 C ATOM 949 CG GLU A 67 3.348 -11.354 3.828 1.00 0.00 C ATOM 950 CD GLU A 67 4.224 -12.123 4.796 1.00 0.00 C ATOM 951 OE1 GLU A 67 4.197 -13.371 4.760 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.938 -11.477 5.592 1.00 0.00 O ATOM 0 H GLU A 67 3.636 -12.348 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 67 1.580 -11.615 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.909 -12.725 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.558 -11.110 2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.472 -10.285 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.302 -11.590 4.024 1.00 0.00 H new ATOM 959 N TRP A 68 1.389 -9.189 1.483 1.00 0.00 N ATOM 960 CA TRP A 68 1.238 -7.754 1.276 1.00 0.00 C ATOM 961 C TRP A 68 1.253 -7.008 2.607 1.00 0.00 C ATOM 962 O TRP A 68 0.851 -7.548 3.637 1.00 0.00 O ATOM 963 CB TRP A 68 -0.065 -7.461 0.529 1.00 0.00 C ATOM 964 CG TRP A 68 -0.042 -7.908 -0.901 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.452 -9.084 -1.385 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.537 -7.183 -2.033 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.296 -9.136 -2.749 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.309 -7.980 -3.171 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.151 -5.938 -2.196 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.674 -7.573 -4.451 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.513 -5.535 -3.467 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.273 -6.351 -4.581 1.00 0.00 C ATOM 0 H TRP A 68 0.578 -9.642 1.905 1.00 0.00 H new ATOM 0 HA TRP A 68 2.079 -7.407 0.676 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.889 -7.955 1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.263 -6.390 0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.900 -9.861 -0.784 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.583 -9.909 -3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.339 -5.302 -1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.491 -8.200 -5.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.989 -4.575 -3.604 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.567 -6.008 -5.562 1.00 0.00 H new ATOM 983 N CYS A 69 1.722 -5.764 2.575 1.00 0.00 N ATOM 984 CA CYS A 69 1.790 -4.944 3.779 1.00 0.00 C ATOM 985 C CYS A 69 0.718 -3.858 3.760 1.00 0.00 C ATOM 986 O CYS A 69 0.794 -2.910 2.978 1.00 0.00 O ATOM 987 CB CYS A 69 3.175 -4.305 3.908 1.00 0.00 C ATOM 988 SG CYS A 69 3.643 -3.897 5.605 1.00 0.00 S ATOM 0 H CYS A 69 2.060 -5.303 1.730 1.00 0.00 H new ATOM 0 HA CYS A 69 1.612 -5.590 4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.918 -4.985 3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.202 -3.396 3.306 1.00 0.00 H new ATOM 0 HG CYS A 69 2.785 -4.420 6.430 1.00 0.00 H new ATOM 994 N GLY A 70 -0.279 -4.005 4.625 1.00 0.00 N ATOM 995 CA GLY A 70 -1.352 -3.030 4.692 1.00 0.00 C ATOM 996 C GLY A 70 -0.880 -1.681 5.199 1.00 0.00 C ATOM 997 O GLY A 70 -0.915 -1.415 6.400 1.00 0.00 O ATOM 0 H GLY A 70 -0.364 -4.782 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.791 -2.909 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.139 -3.405 5.346 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.438 -0.828 4.281 1.00 0.00 N ATOM 1002 CA VAL A 71 0.043 0.500 4.642 1.00 0.00 C ATOM 1003 C VAL A 71 -1.069 1.537 4.523 1.00 0.00 C ATOM 1004 O VAL A 71 -1.599 1.772 3.437 1.00 0.00 O ATOM 1005 CB VAL A 71 1.228 0.930 3.756 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.812 2.247 4.244 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.295 -0.155 3.725 1.00 0.00 C ATOM 0 H VAL A 71 -0.403 -1.033 3.282 1.00 0.00 H new ATOM 0 HA VAL A 71 0.377 0.445 5.678 1.00 0.00 H new ATOM 0 HB VAL A 71 0.861 1.076 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.648 2.533 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.045 3.021 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.162 2.132 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.123 0.167 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.658 -0.337 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.868 -1.074 3.322 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.418 2.155 5.646 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.466 3.167 5.669 1.00 0.00 C ATOM 1019 C GLU A 72 -1.924 4.521 5.224 1.00 0.00 C ATOM 1020 O GLU A 72 -1.082 5.115 5.897 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.064 3.280 7.072 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.409 3.989 7.106 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.300 5.420 7.595 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.444 5.687 8.465 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -5.071 6.274 7.110 1.00 0.00 O ATOM 0 H GLU A 72 -0.989 1.972 6.553 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.247 2.862 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.179 2.280 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.364 3.815 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.845 3.982 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.090 3.438 7.755 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.411 5.003 4.085 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.975 6.287 3.551 1.00 0.00 C ATOM 1034 C LEU A 73 -2.578 7.441 4.345 1.00 0.00 C ATOM 1035 O LEU A 73 -3.777 7.458 4.621 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.364 6.410 2.076 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.082 5.171 1.225 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.643 5.348 -0.177 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.587 4.891 1.172 1.00 0.00 C ATOM 0 H LEU A 73 -3.108 4.523 3.515 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.890 6.337 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.428 6.639 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.830 7.257 1.645 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.576 4.316 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.433 4.457 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.721 5.501 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.178 6.214 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.404 4.006 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.072 5.746 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.213 4.720 2.181 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.738 8.404 4.711 1.00 0.00 N ATOM 1052 CA ASP A 74 -2.188 9.562 5.474 1.00 0.00 C ATOM 1053 C ASP A 74 -3.023 10.497 4.605 1.00 0.00 C ATOM 1054 O ASP A 74 -3.905 11.198 5.100 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.988 10.316 6.050 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.626 9.848 7.446 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -1.334 10.228 8.402 1.00 0.00 O ATOM 1058 OD2 ASP A 74 0.365 9.101 7.582 1.00 0.00 O ATOM 0 H ASP A 74 -0.742 8.405 4.491 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.812 9.206 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.129 10.184 5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.210 11.383 6.074 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.740 10.501 3.306 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.467 11.350 2.369 1.00 0.00 C ATOM 1065 C GLU A 75 -4.636 10.595 1.742 1.00 0.00 C ATOM 1066 O GLU A 75 -4.670 9.365 1.758 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.527 11.856 1.273 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.823 13.155 1.627 1.00 0.00 C ATOM 1069 CD GLU A 75 -0.794 13.562 0.590 1.00 0.00 C ATOM 1070 OE1 GLU A 75 0.085 12.735 0.270 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -0.867 14.708 0.098 1.00 0.00 O ATOM 0 H GLU A 75 -2.013 9.927 2.879 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.863 12.202 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.778 11.091 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.097 12.000 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.563 13.949 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.334 13.047 2.595 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.615 11.326 1.180 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.789 10.719 0.547 1.00 0.00 C ATOM 1080 C PRO A 76 -6.442 10.014 -0.761 1.00 0.00 C ATOM 1081 O PRO A 76 -6.835 10.455 -1.841 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.709 11.913 0.286 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.791 13.081 0.178 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.652 12.800 1.119 1.00 0.00 C ATOM 0 HA PRO A 76 -7.238 9.948 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.285 11.776 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.425 12.046 1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.432 13.202 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.302 14.005 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.713 13.211 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.825 13.239 2.102 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.700 8.916 -0.656 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.298 8.149 -1.830 1.00 0.00 C ATOM 1094 C LEU A 77 -5.460 6.653 -1.583 1.00 0.00 C ATOM 1095 O LEU A 77 -4.710 5.840 -2.123 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.847 8.463 -2.197 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.511 9.952 -2.297 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.067 10.202 -1.893 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.768 10.462 -3.707 1.00 0.00 C ATOM 0 H LEU A 77 -5.365 8.537 0.230 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.945 8.434 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.194 8.008 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.620 7.990 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.158 10.498 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.847 11.267 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.915 9.874 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.403 9.645 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.524 11.523 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.146 9.911 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.818 10.318 -3.960 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.444 6.297 -0.764 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.686 4.898 -0.461 1.00 0.00 C ATOM 1113 C GLY A 78 -7.814 4.312 -1.288 1.00 0.00 C ATOM 1114 O GLY A 78 -8.569 5.045 -1.926 1.00 0.00 O ATOM 0 H GLY A 78 -7.078 6.951 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.774 4.328 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.924 4.795 0.598 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.928 2.988 -1.275 1.00 0.00 N ATOM 1119 CA LYS A 79 -8.972 2.304 -2.029 1.00 0.00 C ATOM 1120 C LYS A 79 -10.006 1.687 -1.092 1.00 0.00 C ATOM 1121 O LYS A 79 -11.209 1.768 -1.339 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.361 1.218 -2.917 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.180 0.918 -4.163 1.00 0.00 C ATOM 1124 CD LYS A 79 -8.522 1.477 -5.415 1.00 0.00 C ATOM 1125 CE LYS A 79 -9.510 2.264 -6.261 1.00 0.00 C ATOM 1126 NZ LYS A 79 -9.859 3.570 -5.636 1.00 0.00 N ATOM 0 H LYS A 79 -7.311 2.368 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.472 3.041 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.359 1.526 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.252 0.303 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.303 -0.160 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.177 1.344 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.689 2.121 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.107 0.660 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.085 2.437 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.416 1.675 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.535 4.076 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.288 3.405 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.998 4.142 -5.524 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.529 1.072 -0.016 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.411 0.442 0.960 1.00 0.00 C ATOM 1142 C ASN A 80 -10.359 1.176 2.296 1.00 0.00 C ATOM 1143 O ASN A 80 -9.500 2.030 2.512 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.025 -1.026 1.155 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.843 -1.757 -0.160 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.802 -2.272 -0.735 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.608 -1.805 -0.644 1.00 0.00 N ATOM 0 H ASN A 80 -8.536 0.996 0.203 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.430 0.495 0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.100 -1.082 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.796 -1.526 1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.424 -2.283 -1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.843 -1.364 -0.134 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.283 0.836 3.189 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.342 1.463 4.504 1.00 0.00 C ATOM 1156 C ASP A 81 -10.757 0.543 5.571 1.00 0.00 C ATOM 1157 O ASP A 81 -11.198 0.551 6.720 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.786 1.820 4.857 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.724 0.636 4.724 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.270 -0.508 4.936 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.913 0.854 4.406 1.00 0.00 O ATOM 0 H ASP A 81 -12.001 0.130 3.026 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.748 2.376 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.825 2.197 5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.128 2.625 4.207 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.762 -0.248 5.183 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.134 -1.162 6.117 1.00 0.00 C ATOM 1168 C GLY A 82 -9.614 -2.589 5.944 1.00 0.00 C ATOM 1169 O GLY A 82 -8.875 -3.537 6.210 1.00 0.00 O ATOM 0 H GLY A 82 -9.380 -0.272 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.053 -1.127 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.340 -0.834 7.136 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.856 -2.743 5.497 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.435 -4.065 5.289 1.00 0.00 C ATOM 1175 C ALA A 83 -11.272 -4.513 3.840 1.00 0.00 C ATOM 1176 O ALA A 83 -11.363 -3.705 2.916 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.905 -4.064 5.680 1.00 0.00 C ATOM 0 H ALA A 83 -11.481 -1.969 5.272 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.902 -4.773 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.325 -5.057 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.002 -3.795 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.444 -3.340 5.069 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.029 -5.806 3.650 1.00 0.00 N ATOM 1184 CA VAL A 84 -10.854 -6.360 2.313 1.00 0.00 C ATOM 1185 C VAL A 84 -11.459 -7.756 2.212 1.00 0.00 C ATOM 1186 O VAL A 84 -11.210 -8.615 3.059 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.365 -6.430 1.925 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.210 -6.822 0.464 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.678 -5.103 2.204 1.00 0.00 C ATOM 0 H VAL A 84 -10.949 -6.488 4.404 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.371 -5.692 1.624 1.00 0.00 H new ATOM 0 HB VAL A 84 -8.886 -7.196 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.151 -6.866 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.664 -7.799 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.704 -6.082 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.627 -5.171 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.158 -4.316 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.756 -4.869 3.266 1.00 0.00 H new ATOM 1199 N ALA A 85 -12.256 -7.976 1.172 1.00 0.00 N ATOM 1200 CA ALA A 85 -12.898 -9.268 0.959 1.00 0.00 C ATOM 1201 C ALA A 85 -13.744 -9.671 2.163 1.00 0.00 C ATOM 1202 O ALA A 85 -13.977 -10.857 2.400 1.00 0.00 O ATOM 1203 CB ALA A 85 -11.853 -10.334 0.667 1.00 0.00 C ATOM 0 H ALA A 85 -12.473 -7.276 0.463 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.561 -9.177 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.346 -11.293 0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.296 -10.061 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.167 -10.412 1.511 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.204 -8.680 2.920 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.019 -8.955 4.088 1.00 0.00 C ATOM 1211 C GLY A 86 -14.203 -9.013 5.366 1.00 0.00 C ATOM 1212 O GLY A 86 -14.721 -8.748 6.452 1.00 0.00 O ATOM 0 H GLY A 86 -14.027 -7.691 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.783 -8.184 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.539 -9.903 3.949 1.00 0.00 H new ATOM 1216 N THR A 87 -12.927 -9.362 5.239 1.00 0.00 N ATOM 1217 CA THR A 87 -12.041 -9.455 6.394 1.00 0.00 C ATOM 1218 C THR A 87 -11.636 -8.068 6.882 1.00 0.00 C ATOM 1219 O THR A 87 -11.549 -7.122 6.098 1.00 0.00 O ATOM 1220 CB THR A 87 -10.796 -10.269 6.042 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.096 -11.248 5.064 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.191 -10.981 7.233 1.00 0.00 C ATOM 0 H THR A 87 -12.483 -9.585 4.348 1.00 0.00 H new ATOM 0 HA THR A 87 -12.581 -9.958 7.196 1.00 0.00 H new ATOM 0 HB THR A 87 -10.074 -9.544 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.286 -11.757 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.311 -11.540 6.914 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.902 -10.248 7.987 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.923 -11.668 7.657 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.388 -7.953 8.183 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.990 -6.682 8.777 1.00 0.00 C ATOM 1232 C ARG A 88 -9.500 -6.675 9.098 1.00 0.00 C ATOM 1233 O ARG A 88 -8.975 -7.629 9.673 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.801 -6.413 10.045 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.258 -4.969 10.181 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.681 -4.880 10.710 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.666 -4.871 9.631 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.980 -4.957 9.826 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -16.470 -5.058 11.055 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -16.806 -4.941 8.789 1.00 0.00 N ATOM 0 H ARG A 88 -11.456 -8.725 8.846 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.189 -5.892 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.675 -7.064 10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.199 -6.678 10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.585 -4.436 10.853 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.198 -4.475 9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.875 -5.724 11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.790 -3.975 11.308 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.327 -4.794 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.839 -5.070 11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.478 -5.124 11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.435 -4.863 7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.813 -5.007 8.938 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.823 -5.595 8.723 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.392 -5.464 8.972 1.00 0.00 C ATOM 1256 C TYR A 89 -7.112 -4.353 9.978 1.00 0.00 C ATOM 1257 O TYR A 89 -6.674 -4.612 11.099 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.650 -5.183 7.664 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.867 -6.239 6.605 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.113 -6.414 6.016 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.826 -7.061 6.193 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.315 -7.379 5.048 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -6.021 -8.028 5.224 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.266 -8.183 4.655 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.464 -9.144 3.691 1.00 0.00 O ATOM 0 H TYR A 89 -9.242 -4.797 8.245 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.035 -6.405 9.391 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.972 -4.218 7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.583 -5.103 7.872 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.937 -5.786 6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.848 -6.943 6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.290 -7.503 4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.201 -8.659 4.915 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.624 -9.623 3.529 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.369 -3.114 9.571 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.146 -1.963 10.437 1.00 0.00 C ATOM 1277 C PHE A 90 -8.290 -0.962 10.318 1.00 0.00 C ATOM 1278 O PHE A 90 -8.520 -0.389 9.253 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.820 -1.284 10.086 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.711 -0.895 8.638 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.396 -1.841 7.676 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.924 0.415 8.241 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.294 -1.487 6.344 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.824 0.775 6.911 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.509 -0.177 5.961 1.00 0.00 C ATOM 0 H PHE A 90 -7.732 -2.882 8.646 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.104 -2.318 11.467 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.702 -0.393 10.703 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.999 -1.956 10.336 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.228 -2.867 7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.171 1.163 8.980 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.047 -2.233 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.992 1.800 6.614 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.431 0.102 4.921 1.00 0.00 H new ATOM 1295 N GLN A 91 -9.004 -0.754 11.420 1.00 0.00 N ATOM 1296 CA GLN A 91 -10.125 0.180 11.439 1.00 0.00 C ATOM 1297 C GLN A 91 -9.649 1.605 11.176 1.00 0.00 C ATOM 1298 O GLN A 91 -8.909 2.180 11.973 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.850 0.109 12.785 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.365 0.104 12.658 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.894 1.328 11.937 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -13.193 2.349 12.558 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -13.014 1.232 10.618 1.00 0.00 N ATOM 0 H GLN A 91 -8.827 -1.219 12.310 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.818 -0.103 10.646 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.534 -0.792 13.312 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.547 0.959 13.397 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.678 -0.792 12.122 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.809 0.052 13.652 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.755 0.367 10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.366 2.023 10.079 1.00 0.00 H new ATOM 1312 N CYS A 92 -10.081 2.170 10.053 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.700 3.528 9.684 1.00 0.00 C ATOM 1314 C CYS A 92 -10.688 4.117 8.683 1.00 0.00 C ATOM 1315 O CYS A 92 -11.546 3.410 8.154 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.286 3.541 9.096 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.036 4.245 10.196 1.00 0.00 S ATOM 0 H CYS A 92 -10.695 1.708 9.383 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.716 4.142 10.585 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.999 2.520 8.844 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.296 4.108 8.165 1.00 0.00 H new ATOM 0 HG CYS A 92 -5.875 4.210 9.612 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.561 5.415 8.427 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.443 6.097 7.488 1.00 0.00 C ATOM 1325 C GLN A 93 -11.233 5.579 6.068 1.00 0.00 C ATOM 1326 O GLN A 93 -10.128 5.176 5.703 1.00 0.00 O ATOM 1327 CB GLN A 93 -11.201 7.607 7.534 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.721 8.268 8.800 1.00 0.00 C ATOM 1329 CD GLN A 93 -13.160 8.728 8.669 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -13.988 8.046 8.066 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -13.463 9.890 9.234 1.00 0.00 N ATOM 0 H GLN A 93 -9.856 6.015 8.856 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.473 5.892 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.131 7.798 7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.678 8.070 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.642 7.566 9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.091 9.123 9.044 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.744 10.422 9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.415 10.251 9.178 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.295 5.583 5.244 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.220 5.112 3.857 1.00 0.00 C ATOM 1342 C PRO A 94 -11.343 6.006 2.989 1.00 0.00 C ATOM 1343 O PRO A 94 -11.064 7.152 3.343 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.674 5.161 3.380 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.332 6.162 4.265 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.649 6.048 5.598 1.00 0.00 C ATOM 0 HA PRO A 94 -11.772 4.121 3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.737 5.457 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.151 4.185 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.230 7.168 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.400 5.961 4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.623 7.004 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.159 5.341 6.253 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.911 5.477 1.848 1.00 0.00 N ATOM 1355 CA LYS A 95 -10.066 6.228 0.929 1.00 0.00 C ATOM 1356 C LYS A 95 -8.755 6.628 1.599 1.00 0.00 C ATOM 1357 O LYS A 95 -8.234 7.719 1.366 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.799 7.475 0.431 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.758 7.199 -0.716 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.308 8.488 -1.305 1.00 0.00 C ATOM 1361 CE LYS A 95 -13.712 8.777 -0.800 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.947 10.236 -0.615 1.00 0.00 N ATOM 0 H LYS A 95 -11.133 4.531 1.539 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.838 5.586 0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.354 7.915 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.065 8.214 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.244 6.633 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.582 6.579 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.649 9.317 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.319 8.417 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.441 8.379 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.870 8.261 0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.916 10.391 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.268 10.612 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.821 10.726 -1.524 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.228 5.738 2.433 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.978 5.996 3.137 1.00 0.00 C ATOM 1378 C TYR A 96 -6.121 4.736 3.204 1.00 0.00 C ATOM 1379 O TYR A 96 -4.936 4.760 2.871 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.261 6.510 4.550 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.538 7.996 4.611 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.620 8.912 4.116 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.716 8.479 5.165 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.868 10.271 4.170 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.972 9.836 5.222 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.045 10.727 4.724 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.296 12.079 4.779 1.00 0.00 O ATOM 0 H TYR A 96 -8.648 4.831 2.638 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.429 6.758 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -8.117 5.973 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.407 6.282 5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.697 8.557 3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.443 7.784 5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.144 10.971 3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.894 10.197 5.654 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.169 12.233 5.198 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.728 3.637 3.639 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.006 2.382 3.742 1.00 0.00 C ATOM 1399 C GLY A 97 -5.700 1.776 2.387 1.00 0.00 C ATOM 1400 O GLY A 97 -6.567 1.715 1.516 1.00 0.00 O ATOM 0 H GLY A 97 -7.707 3.593 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.074 2.546 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.594 1.675 4.328 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.460 1.328 2.208 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.040 0.725 0.949 1.00 0.00 C ATOM 1406 C LEU A 98 -3.201 -0.524 1.199 1.00 0.00 C ATOM 1407 O LEU A 98 -2.559 -0.654 2.242 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.243 1.732 0.118 1.00 0.00 C ATOM 1409 CG LEU A 98 -3.045 1.348 -1.349 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.311 1.620 -2.147 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.866 2.105 -1.942 1.00 0.00 C ATOM 0 H LEU A 98 -3.730 1.372 2.919 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.934 0.436 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.749 2.696 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.264 1.866 0.578 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.830 0.281 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.152 1.341 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.133 1.034 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.557 2.680 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.739 1.820 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.053 3.177 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.960 1.861 -1.387 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.209 -1.440 0.236 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.448 -2.679 0.351 1.00 0.00 C ATOM 1425 C PHE A 99 -1.498 -2.846 -0.829 1.00 0.00 C ATOM 1426 O PHE A 99 -1.845 -2.529 -1.968 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.394 -3.878 0.433 1.00 0.00 C ATOM 1428 CG PHE A 99 -4.048 -4.037 1.776 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.366 -4.624 2.829 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -5.347 -3.599 1.985 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.965 -4.771 4.066 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.951 -3.744 3.219 1.00 0.00 C ATOM 1433 CZ PHE A 99 -5.259 -4.331 4.260 1.00 0.00 C ATOM 0 H PHE A 99 -3.734 -1.348 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.857 -2.629 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.167 -3.773 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.838 -4.786 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.354 -4.971 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.893 -3.139 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.422 -5.229 4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.963 -3.399 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.730 -4.446 5.225 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.299 -3.346 -0.551 1.00 0.00 N ATOM 1444 CA ALA A 100 0.701 -3.556 -1.591 1.00 0.00 C ATOM 1445 C ALA A 100 1.678 -4.662 -1.198 1.00 0.00 C ATOM 1446 O ALA A 100 1.895 -4.915 -0.012 1.00 0.00 O ATOM 1447 CB ALA A 100 1.450 -2.263 -1.872 1.00 0.00 C ATOM 0 H ALA A 100 0.004 -3.613 0.386 1.00 0.00 H new ATOM 0 HA ALA A 100 0.185 -3.868 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.193 -2.435 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.746 -1.500 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.948 -1.926 -0.963 1.00 0.00 H new ATOM 1453 N PRO A 101 2.283 -5.338 -2.190 1.00 0.00 N ATOM 1454 CA PRO A 101 3.240 -6.419 -1.938 1.00 0.00 C ATOM 1455 C PRO A 101 4.476 -5.930 -1.191 1.00 0.00 C ATOM 1456 O PRO A 101 5.069 -4.913 -1.551 1.00 0.00 O ATOM 1457 CB PRO A 101 3.625 -6.911 -3.339 1.00 0.00 C ATOM 1458 CG PRO A 101 2.579 -6.373 -4.254 1.00 0.00 C ATOM 1459 CD PRO A 101 2.084 -5.103 -3.628 1.00 0.00 C ATOM 0 HA PRO A 101 2.808 -7.198 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.615 -6.553 -3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.657 -8.000 -3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.990 -6.183 -5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.766 -7.088 -4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.646 -4.237 -3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.036 -4.919 -3.865 1.00 0.00 H new ATOM 1467 N VAL A 102 4.861 -6.660 -0.149 1.00 0.00 N ATOM 1468 CA VAL A 102 6.027 -6.300 0.649 1.00 0.00 C ATOM 1469 C VAL A 102 7.267 -6.135 -0.226 1.00 0.00 C ATOM 1470 O VAL A 102 7.995 -5.150 -0.107 1.00 0.00 O ATOM 1471 CB VAL A 102 6.315 -7.354 1.734 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.233 -7.330 2.804 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.433 -8.741 1.118 1.00 0.00 C ATOM 0 H VAL A 102 4.382 -7.505 0.162 1.00 0.00 H new ATOM 0 HA VAL A 102 5.796 -5.349 1.129 1.00 0.00 H new ATOM 0 HB VAL A 102 7.267 -7.109 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.454 -8.082 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.202 -6.344 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.266 -7.547 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.637 -9.471 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.499 -8.997 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.248 -8.749 0.394 1.00 0.00 H new ATOM 1483 N HIS A 103 7.498 -7.104 -1.107 1.00 0.00 N ATOM 1484 CA HIS A 103 8.650 -7.063 -2.003 1.00 0.00 C ATOM 1485 C HIS A 103 8.651 -5.785 -2.835 1.00 0.00 C ATOM 1486 O HIS A 103 9.705 -5.305 -3.252 1.00 0.00 O ATOM 1487 CB HIS A 103 8.650 -8.285 -2.924 1.00 0.00 C ATOM 1488 CG HIS A 103 7.422 -8.397 -3.772 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.300 -7.838 -5.025 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.244 -9.026 -3.527 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.080 -8.136 -5.492 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.400 -8.857 -4.620 1.00 0.00 N ATOM 0 H HIS A 103 6.904 -7.926 -1.220 1.00 0.00 H new ATOM 0 HA HIS A 103 9.553 -7.076 -1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.526 -8.241 -3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.746 -9.186 -2.318 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.012 -7.294 -5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.001 -9.571 -2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.702 -7.827 -6.455 1.00 0.00 H new ATOM 1500 N LYS A 104 7.464 -5.234 -3.071 1.00 0.00 N ATOM 1501 CA LYS A 104 7.331 -4.010 -3.851 1.00 0.00 C ATOM 1502 C LYS A 104 7.526 -2.779 -2.968 1.00 0.00 C ATOM 1503 O LYS A 104 7.915 -1.715 -3.449 1.00 0.00 O ATOM 1504 CB LYS A 104 5.960 -3.959 -4.529 1.00 0.00 C ATOM 1505 CG LYS A 104 6.036 -3.888 -6.046 1.00 0.00 C ATOM 1506 CD LYS A 104 4.918 -4.685 -6.698 1.00 0.00 C ATOM 1507 CE LYS A 104 4.967 -4.575 -8.214 1.00 0.00 C ATOM 1508 NZ LYS A 104 4.527 -3.234 -8.692 1.00 0.00 N ATOM 0 H LYS A 104 6.581 -5.616 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 104 8.106 -4.009 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.389 -4.842 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.413 -3.092 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.977 -2.848 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.000 -4.270 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.997 -5.732 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.955 -4.325 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.983 -4.767 -8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.331 -5.343 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.527 -3.219 -9.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.567 -3.039 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.179 -2.507 -8.335 1.00 0.00 H new ATOM 1522 N VAL A 105 7.254 -2.931 -1.675 1.00 0.00 N ATOM 1523 CA VAL A 105 7.400 -1.831 -0.731 1.00 0.00 C ATOM 1524 C VAL A 105 8.857 -1.654 -0.313 1.00 0.00 C ATOM 1525 O VAL A 105 9.599 -2.627 -0.185 1.00 0.00 O ATOM 1526 CB VAL A 105 6.542 -2.053 0.528 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.550 -0.811 1.407 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.120 -2.434 0.145 1.00 0.00 C ATOM 0 H VAL A 105 6.932 -3.805 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 105 7.058 -0.930 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 105 6.973 -2.876 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.938 -0.987 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.572 -0.587 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.145 0.033 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.529 -2.587 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.676 -1.634 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.135 -3.354 -0.439 1.00 0.00 H new ATOM 1538 N THR A 106 9.258 -0.405 -0.104 1.00 0.00 N ATOM 1539 CA THR A 106 10.625 -0.099 0.300 1.00 0.00 C ATOM 1540 C THR A 106 10.642 0.896 1.455 1.00 0.00 C ATOM 1541 O THR A 106 9.726 1.705 1.603 1.00 0.00 O ATOM 1542 CB THR A 106 11.415 0.463 -0.884 1.00 0.00 C ATOM 1543 OG1 THR A 106 11.314 -0.394 -2.007 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.886 0.656 -0.584 1.00 0.00 C ATOM 0 H THR A 106 8.656 0.412 -0.208 1.00 0.00 H new ATOM 0 HA THR A 106 11.094 -1.024 0.635 1.00 0.00 H new ATOM 0 HB THR A 106 10.972 1.437 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.824 -0.016 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.387 1.057 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.000 1.353 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 106 13.332 -0.302 -0.317 1.00 0.00 H new ATOM 1552 N LYS A 107 11.690 0.832 2.270 1.00 0.00 N ATOM 1553 CA LYS A 107 11.826 1.729 3.411 1.00 0.00 C ATOM 1554 C LYS A 107 12.391 3.078 2.978 1.00 0.00 C ATOM 1555 O LYS A 107 13.252 3.150 2.100 1.00 0.00 O ATOM 1556 CB LYS A 107 12.728 1.102 4.476 1.00 0.00 C ATOM 1557 CG LYS A 107 12.233 1.319 5.897 1.00 0.00 C ATOM 1558 CD LYS A 107 13.229 0.796 6.919 1.00 0.00 C ATOM 1559 CE LYS A 107 14.275 1.843 7.269 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.246 2.195 8.716 1.00 0.00 N ATOM 0 H LYS A 107 12.457 0.168 2.161 1.00 0.00 H new ATOM 0 HA LYS A 107 10.835 1.890 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.808 0.031 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.731 1.518 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.061 2.382 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.275 0.816 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.699 0.494 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.721 -0.094 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.265 1.469 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.104 2.740 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.974 2.911 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.310 2.575 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.434 1.344 9.284 1.00 0.00 H new ATOM 1574 N ILE A 108 11.900 4.147 3.597 1.00 0.00 N ATOM 1575 CA ILE A 108 12.355 5.494 3.275 1.00 0.00 C ATOM 1576 C ILE A 108 13.402 5.974 4.274 1.00 0.00 C ATOM 1577 O ILE A 108 13.223 5.850 5.485 1.00 0.00 O ATOM 1578 CB ILE A 108 11.182 6.493 3.257 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.372 6.386 4.550 1.00 0.00 C ATOM 1580 CG2 ILE A 108 10.295 6.246 2.047 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.373 7.508 4.732 1.00 0.00 C ATOM 0 H ILE A 108 11.187 4.106 4.325 1.00 0.00 H new ATOM 0 HA ILE A 108 12.800 5.449 2.281 1.00 0.00 H new ATOM 0 HB ILE A 108 11.585 7.503 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.842 5.434 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 108 11.056 6.379 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.471 6.959 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.880 6.369 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.897 5.232 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.835 7.367 5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.898 8.463 4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.665 7.503 3.903 1.00 0.00 H new