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 180:sc= -0.244 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -118:sc= 1.32 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -140:sc= -1.93 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.904 (180deg=-0.904) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.838 K(o=-0.84,f=-0.24) USER MOD Single : A 92 CYS SG : rot 38:sc= 0.329 USER MOD Single : A 93 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -4.23! C(o=-4.2!,f=-4.4!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 8.983 -5.932 6.865 1.00 0.00 N ATOM 522 CA LEU A 39 8.540 -4.685 7.477 1.00 0.00 C ATOM 523 C LEU A 39 7.909 -4.943 8.841 1.00 0.00 C ATOM 524 O LEU A 39 7.892 -6.074 9.325 1.00 0.00 O ATOM 525 CB LEU A 39 7.538 -3.973 6.565 1.00 0.00 C ATOM 526 CG LEU A 39 7.925 -3.929 5.086 1.00 0.00 C ATOM 527 CD1 LEU A 39 6.704 -3.650 4.223 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.000 -2.880 4.848 1.00 0.00 C ATOM 0 HA LEU A 39 9.413 -4.047 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.571 -4.468 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.408 -2.951 6.921 1.00 0.00 H new ATOM 0 HG LEU A 39 8.327 -4.903 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.999 -3.622 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.966 -4.438 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.272 -2.690 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.263 -2.862 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.625 -1.901 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.884 -3.124 5.438 1.00 0.00 H new ATOM 540 N LYS A 40 7.391 -3.884 9.457 1.00 0.00 N ATOM 541 CA LYS A 40 6.759 -3.996 10.767 1.00 0.00 C ATOM 542 C LYS A 40 5.709 -2.906 10.958 1.00 0.00 C ATOM 543 O LYS A 40 5.642 -1.952 10.183 1.00 0.00 O ATOM 544 CB LYS A 40 7.812 -3.908 11.873 1.00 0.00 C ATOM 545 CG LYS A 40 8.365 -5.260 12.295 1.00 0.00 C ATOM 546 CD LYS A 40 9.550 -5.107 13.235 1.00 0.00 C ATOM 547 CE LYS A 40 9.099 -4.911 14.673 1.00 0.00 C ATOM 548 NZ LYS A 40 8.915 -6.210 15.380 1.00 0.00 N ATOM 0 H LYS A 40 7.397 -2.940 9.070 1.00 0.00 H new ATOM 0 HA LYS A 40 6.264 -4.965 10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.634 -3.279 11.531 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.374 -3.416 12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.582 -5.838 12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.670 -5.822 11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.185 -5.991 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.155 -4.256 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.835 -4.309 15.205 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.162 -4.354 14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.607 -6.033 16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.194 -6.774 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.815 -6.731 15.390 1.00 0.00 H new ATOM 562 N ILE A 41 4.894 -3.054 11.997 1.00 0.00 N ATOM 563 CA ILE A 41 3.847 -2.082 12.291 1.00 0.00 C ATOM 564 C ILE A 41 4.410 -0.880 13.042 1.00 0.00 C ATOM 565 O ILE A 41 4.867 -1.004 14.179 1.00 0.00 O ATOM 566 CB ILE A 41 2.716 -2.711 13.125 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.274 -4.039 12.510 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.539 -1.751 13.229 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.718 -3.902 11.110 1.00 0.00 C ATOM 0 H ILE A 41 4.938 -3.837 12.649 1.00 0.00 H new ATOM 0 HA ILE A 41 3.442 -1.752 11.334 1.00 0.00 H new ATOM 0 HB ILE A 41 3.092 -2.907 14.129 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.124 -4.721 12.489 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.517 -4.492 13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.747 -2.209 13.821 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.864 -0.828 13.709 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.162 -1.528 12.231 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.425 -4.883 10.737 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.848 -3.246 11.127 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.480 -3.478 10.456 1.00 0.00 H new ATOM 581 N GLY A 42 4.373 0.282 12.400 1.00 0.00 N ATOM 582 CA GLY A 42 4.882 1.490 13.023 1.00 0.00 C ATOM 583 C GLY A 42 6.152 1.992 12.365 1.00 0.00 C ATOM 584 O GLY A 42 7.039 2.522 13.035 1.00 0.00 O ATOM 0 H GLY A 42 4.000 0.409 11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.120 2.268 12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.075 1.297 14.078 1.00 0.00 H new ATOM 588 N ASP A 43 6.241 1.823 11.049 1.00 0.00 N ATOM 589 CA ASP A 43 7.412 2.262 10.300 1.00 0.00 C ATOM 590 C ASP A 43 7.012 2.802 8.931 1.00 0.00 C ATOM 591 O ASP A 43 6.472 2.073 8.099 1.00 0.00 O ATOM 592 CB ASP A 43 8.401 1.107 10.136 1.00 0.00 C ATOM 593 CG ASP A 43 9.435 1.069 11.244 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.160 0.448 12.293 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.521 1.658 11.062 1.00 0.00 O ATOM 0 H ASP A 43 5.516 1.385 10.480 1.00 0.00 H new ATOM 0 HA ASP A 43 7.891 3.064 10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.855 0.164 10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.906 1.199 9.174 1.00 0.00 H new ATOM 600 N ARG A 44 7.279 4.084 8.705 1.00 0.00 N ATOM 601 CA ARG A 44 6.947 4.722 7.436 1.00 0.00 C ATOM 602 C ARG A 44 7.666 4.037 6.279 1.00 0.00 C ATOM 603 O ARG A 44 8.892 3.934 6.270 1.00 0.00 O ATOM 604 CB ARG A 44 7.318 6.205 7.476 1.00 0.00 C ATOM 605 CG ARG A 44 6.567 6.993 8.538 1.00 0.00 C ATOM 606 CD ARG A 44 7.164 8.378 8.735 1.00 0.00 C ATOM 607 NE ARG A 44 6.158 9.431 8.616 1.00 0.00 N ATOM 608 CZ ARG A 44 5.302 9.751 9.584 1.00 0.00 C ATOM 609 NH1 ARG A 44 5.324 9.099 10.741 1.00 0.00 N ATOM 610 NH2 ARG A 44 4.421 10.723 9.395 1.00 0.00 N ATOM 0 H ARG A 44 7.724 4.702 9.384 1.00 0.00 H new ATOM 0 HA ARG A 44 5.872 4.627 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.389 6.298 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.119 6.647 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.520 7.085 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.592 6.448 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.633 8.434 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.949 8.542 7.997 1.00 0.00 H new ATOM 0 HE ARG A 44 6.109 9.951 7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.999 8.349 10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.666 9.348 11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.399 11.226 8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.765 10.968 10.137 1.00 0.00 H new ATOM 624 N VAL A 45 6.893 3.569 5.304 1.00 0.00 N ATOM 625 CA VAL A 45 7.457 2.892 4.141 1.00 0.00 C ATOM 626 C VAL A 45 6.916 3.483 2.844 1.00 0.00 C ATOM 627 O VAL A 45 5.809 4.022 2.809 1.00 0.00 O ATOM 628 CB VAL A 45 7.154 1.383 4.169 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.886 0.712 5.322 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.656 1.141 4.265 1.00 0.00 C ATOM 0 H VAL A 45 5.876 3.646 5.296 1.00 0.00 H new ATOM 0 HA VAL A 45 8.536 3.040 4.182 1.00 0.00 H new ATOM 0 HB VAL A 45 7.510 0.942 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.659 -0.354 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.960 0.854 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.563 1.155 6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.461 0.069 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.272 1.596 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.160 1.585 3.402 1.00 0.00 H new ATOM 640 N LEU A 46 7.704 3.379 1.779 1.00 0.00 N ATOM 641 CA LEU A 46 7.306 3.903 0.477 1.00 0.00 C ATOM 642 C LEU A 46 6.917 2.770 -0.467 1.00 0.00 C ATOM 643 O LEU A 46 7.433 1.657 -0.365 1.00 0.00 O ATOM 644 CB LEU A 46 8.443 4.724 -0.134 1.00 0.00 C ATOM 645 CG LEU A 46 8.166 5.274 -1.534 1.00 0.00 C ATOM 646 CD1 LEU A 46 7.157 6.409 -1.471 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.459 5.742 -2.186 1.00 0.00 C ATOM 0 H LEU A 46 8.623 2.936 1.792 1.00 0.00 H new ATOM 0 HA LEU A 46 6.439 4.547 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.665 5.559 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.338 4.103 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 46 7.744 4.474 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.972 6.788 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.223 6.043 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.551 7.212 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.245 6.130 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.909 6.528 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.151 4.903 -2.265 1.00 0.00 H new ATOM 659 N VAL A 47 6.001 3.060 -1.385 1.00 0.00 N ATOM 660 CA VAL A 47 5.544 2.065 -2.348 1.00 0.00 C ATOM 661 C VAL A 47 5.278 2.703 -3.708 1.00 0.00 C ATOM 662 O VAL A 47 4.300 3.428 -3.886 1.00 0.00 O ATOM 663 CB VAL A 47 4.265 1.356 -1.858 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.137 2.357 -1.661 1.00 0.00 C ATOM 665 CG2 VAL A 47 3.853 0.260 -2.830 1.00 0.00 C ATOM 0 H VAL A 47 5.561 3.975 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 47 6.339 1.326 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 47 4.478 0.893 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.244 1.836 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.434 3.099 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.923 2.855 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.949 -0.228 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.661 0.696 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.654 -0.475 -2.911 1.00 0.00 H new ATOM 675 N GLY A 48 6.157 2.428 -4.666 1.00 0.00 N ATOM 676 CA GLY A 48 6.001 2.987 -5.996 1.00 0.00 C ATOM 677 C GLY A 48 6.253 4.480 -6.029 1.00 0.00 C ATOM 678 O GLY A 48 5.737 5.184 -6.898 1.00 0.00 O ATOM 0 H GLY A 48 6.974 1.829 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.690 2.490 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.993 2.784 -6.356 1.00 0.00 H new ATOM 682 N GLY A 49 7.048 4.965 -5.080 1.00 0.00 N ATOM 683 CA GLY A 49 7.353 6.382 -5.022 1.00 0.00 C ATOM 684 C GLY A 49 6.117 7.230 -4.802 1.00 0.00 C ATOM 685 O GLY A 49 5.029 6.885 -5.263 1.00 0.00 O ATOM 0 H GLY A 49 7.486 4.402 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.064 6.565 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.838 6.685 -5.950 1.00 0.00 H new ATOM 689 N THR A 50 6.281 8.345 -4.095 1.00 0.00 N ATOM 690 CA THR A 50 5.167 9.249 -3.814 1.00 0.00 C ATOM 691 C THR A 50 4.235 8.664 -2.755 1.00 0.00 C ATOM 692 O THR A 50 4.017 9.271 -1.707 1.00 0.00 O ATOM 693 CB THR A 50 4.380 9.547 -5.092 1.00 0.00 C ATOM 694 OG1 THR A 50 5.246 9.603 -6.213 1.00 0.00 O ATOM 695 CG2 THR A 50 3.617 10.853 -5.035 1.00 0.00 C ATOM 0 H THR A 50 7.175 8.645 -3.706 1.00 0.00 H new ATOM 0 HA THR A 50 5.585 10.179 -3.429 1.00 0.00 H new ATOM 0 HB THR A 50 3.664 8.731 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.724 9.793 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.081 11.003 -5.972 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.904 10.822 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.315 11.676 -4.881 1.00 0.00 H new ATOM 703 N LYS A 51 3.684 7.485 -3.033 1.00 0.00 N ATOM 704 CA LYS A 51 2.775 6.831 -2.101 1.00 0.00 C ATOM 705 C LYS A 51 3.507 6.408 -0.831 1.00 0.00 C ATOM 706 O LYS A 51 4.203 5.392 -0.812 1.00 0.00 O ATOM 707 CB LYS A 51 2.124 5.614 -2.759 1.00 0.00 C ATOM 708 CG LYS A 51 1.112 5.973 -3.835 1.00 0.00 C ATOM 709 CD LYS A 51 -0.058 5.001 -3.848 1.00 0.00 C ATOM 710 CE LYS A 51 -1.128 5.432 -4.839 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.423 4.741 -4.592 1.00 0.00 N ATOM 0 H LYS A 51 3.852 6.966 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 51 1.999 7.546 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.902 4.989 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.630 5.017 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.744 6.985 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.600 5.970 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.299 4.004 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.490 4.936 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.273 6.510 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.790 5.219 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.126 5.062 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.291 3.713 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.758 4.964 -3.633 1.00 0.00 H new ATOM 725 N ALA A 52 3.344 7.194 0.228 1.00 0.00 N ATOM 726 CA ALA A 52 3.986 6.902 1.503 1.00 0.00 C ATOM 727 C ALA A 52 2.961 6.831 2.630 1.00 0.00 C ATOM 728 O ALA A 52 1.899 7.449 2.556 1.00 0.00 O ATOM 729 CB ALA A 52 5.043 7.952 1.815 1.00 0.00 C ATOM 0 H ALA A 52 2.772 8.039 0.228 1.00 0.00 H new ATOM 0 HA ALA A 52 4.469 5.928 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.514 7.721 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.798 7.953 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.575 8.935 1.870 1.00 0.00 H new ATOM 735 N GLY A 53 3.286 6.073 3.671 1.00 0.00 N ATOM 736 CA GLY A 53 2.382 5.935 4.798 1.00 0.00 C ATOM 737 C GLY A 53 2.959 5.072 5.902 1.00 0.00 C ATOM 738 O GLY A 53 4.051 4.520 5.761 1.00 0.00 O ATOM 0 H GLY A 53 4.159 5.552 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.150 6.923 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.443 5.501 4.455 1.00 0.00 H new ATOM 742 N VAL A 54 2.225 4.954 7.003 1.00 0.00 N ATOM 743 CA VAL A 54 2.670 4.152 8.136 1.00 0.00 C ATOM 744 C VAL A 54 2.044 2.762 8.105 1.00 0.00 C ATOM 745 O VAL A 54 0.833 2.621 7.934 1.00 0.00 O ATOM 746 CB VAL A 54 2.325 4.829 9.475 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.970 4.083 10.634 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.757 6.287 9.464 1.00 0.00 C ATOM 0 H VAL A 54 1.319 5.404 7.135 1.00 0.00 H new ATOM 0 HA VAL A 54 3.753 4.062 8.053 1.00 0.00 H new ATOM 0 HB VAL A 54 1.244 4.796 9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.715 4.577 11.572 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.605 3.056 10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.053 4.081 10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.505 6.748 10.419 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.834 6.346 9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.243 6.813 8.660 1.00 0.00 H new ATOM 758 N VAL A 55 2.875 1.739 8.273 1.00 0.00 N ATOM 759 CA VAL A 55 2.401 0.360 8.265 1.00 0.00 C ATOM 760 C VAL A 55 1.379 0.124 9.373 1.00 0.00 C ATOM 761 O VAL A 55 1.726 0.088 10.553 1.00 0.00 O ATOM 762 CB VAL A 55 3.564 -0.636 8.438 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.082 -2.063 8.227 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.704 -0.299 7.484 1.00 0.00 C ATOM 0 H VAL A 55 3.880 1.839 8.416 1.00 0.00 H new ATOM 0 HA VAL A 55 1.930 0.194 7.296 1.00 0.00 H new ATOM 0 HB VAL A 55 3.940 -0.554 9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.917 -2.752 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.306 -2.296 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.677 -2.165 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.516 -1.013 7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.345 -0.350 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.067 0.707 7.692 1.00 0.00 H new ATOM 774 N ARG A 56 0.119 -0.038 8.984 1.00 0.00 N ATOM 775 CA ARG A 56 -0.953 -0.270 9.944 1.00 0.00 C ATOM 776 C ARG A 56 -1.149 -1.764 10.189 1.00 0.00 C ATOM 777 O ARG A 56 -1.508 -2.180 11.290 1.00 0.00 O ATOM 778 CB ARG A 56 -2.257 0.354 9.446 1.00 0.00 C ATOM 779 CG ARG A 56 -2.377 1.839 9.750 1.00 0.00 C ATOM 780 CD ARG A 56 -2.517 2.096 11.242 1.00 0.00 C ATOM 781 NE ARG A 56 -1.318 2.711 11.806 1.00 0.00 N ATOM 782 CZ ARG A 56 -0.938 3.962 11.555 1.00 0.00 C ATOM 783 NH1 ARG A 56 -1.660 4.734 10.752 1.00 0.00 N ATOM 784 NH2 ARG A 56 0.167 4.442 12.108 1.00 0.00 N ATOM 0 H ARG A 56 -0.185 -0.013 8.011 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.672 0.200 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.333 0.205 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.098 -0.170 9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.498 2.361 9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.241 2.249 9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.375 2.745 11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.717 1.155 11.755 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.738 2.149 12.429 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.511 4.370 10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.364 5.692 10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.726 3.853 12.725 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.459 5.400 11.916 1.00 0.00 H new ATOM 798 N PHE A 57 -0.909 -2.564 9.155 1.00 0.00 N ATOM 799 CA PHE A 57 -1.057 -4.012 9.258 1.00 0.00 C ATOM 800 C PHE A 57 -0.045 -4.728 8.369 1.00 0.00 C ATOM 801 O PHE A 57 0.602 -4.108 7.525 1.00 0.00 O ATOM 802 CB PHE A 57 -2.478 -4.428 8.869 1.00 0.00 C ATOM 803 CG PHE A 57 -2.866 -5.784 9.383 1.00 0.00 C ATOM 804 CD1 PHE A 57 -3.017 -6.009 10.742 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.082 -6.836 8.507 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.375 -7.255 11.218 1.00 0.00 C ATOM 807 CE2 PHE A 57 -3.440 -8.085 8.977 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.587 -8.296 10.334 1.00 0.00 C ATOM 0 H PHE A 57 -0.611 -2.235 8.237 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.871 -4.299 10.293 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.182 -3.688 9.250 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.566 -4.421 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.853 -5.200 11.438 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.969 -6.678 7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.489 -7.416 12.280 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.605 -8.896 8.283 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.867 -9.272 10.703 1.00 0.00 H new ATOM 818 N LEU A 58 0.087 -6.035 8.566 1.00 0.00 N ATOM 819 CA LEU A 58 1.021 -6.836 7.782 1.00 0.00 C ATOM 820 C LEU A 58 0.579 -8.295 7.730 1.00 0.00 C ATOM 821 O LEU A 58 0.426 -8.945 8.763 1.00 0.00 O ATOM 822 CB LEU A 58 2.429 -6.739 8.374 1.00 0.00 C ATOM 823 CG LEU A 58 3.496 -7.555 7.642 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.004 -6.797 6.425 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.644 -7.892 8.581 1.00 0.00 C ATOM 0 H LEU A 58 -0.441 -6.563 9.262 1.00 0.00 H new ATOM 0 HA LEU A 58 1.032 -6.443 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.733 -5.692 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.393 -7.065 9.413 1.00 0.00 H new ATOM 0 HG LEU A 58 3.046 -8.487 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.762 -7.392 5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.175 -6.606 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.439 -5.849 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.394 -8.473 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.094 -6.971 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.267 -8.475 9.422 1.00 0.00 H new ATOM 837 N GLY A 59 0.374 -8.802 6.518 1.00 0.00 N ATOM 838 CA GLY A 59 -0.048 -10.180 6.354 1.00 0.00 C ATOM 839 C GLY A 59 -0.333 -10.531 4.907 1.00 0.00 C ATOM 840 O GLY A 59 0.191 -9.897 3.992 1.00 0.00 O ATOM 0 H GLY A 59 0.493 -8.283 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.727 -10.842 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.943 -10.356 6.950 1.00 0.00 H new ATOM 844 N GLU A 60 -1.167 -11.546 4.700 1.00 0.00 N ATOM 845 CA GLU A 60 -1.523 -11.981 3.354 1.00 0.00 C ATOM 846 C GLU A 60 -2.834 -11.343 2.905 1.00 0.00 C ATOM 847 O GLU A 60 -3.545 -10.732 3.704 1.00 0.00 O ATOM 848 CB GLU A 60 -1.640 -13.505 3.303 1.00 0.00 C ATOM 849 CG GLU A 60 -0.299 -14.220 3.339 1.00 0.00 C ATOM 850 CD GLU A 60 -0.443 -15.722 3.483 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.044 -16.168 4.482 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.047 -16.453 2.596 1.00 0.00 O ATOM 0 H GLU A 60 -1.608 -12.082 5.447 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.733 -11.661 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.245 -13.843 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.170 -13.790 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.252 -13.997 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.292 -13.834 4.169 1.00 0.00 H new ATOM 859 N THR A 61 -3.149 -11.489 1.622 1.00 0.00 N ATOM 860 CA THR A 61 -4.375 -10.927 1.066 1.00 0.00 C ATOM 861 C THR A 61 -5.208 -12.007 0.383 1.00 0.00 C ATOM 862 O THR A 61 -4.680 -13.028 -0.056 1.00 0.00 O ATOM 863 CB THR A 61 -4.044 -9.815 0.069 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.963 -10.193 -0.763 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.678 -8.506 0.733 1.00 0.00 C ATOM 0 H THR A 61 -2.572 -11.992 0.948 1.00 0.00 H new ATOM 0 HA THR A 61 -4.958 -10.509 1.886 1.00 0.00 H new ATOM 0 HB THR A 61 -4.955 -9.667 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.217 -9.571 -0.633 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.455 -7.761 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.513 -8.162 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.802 -8.651 1.365 1.00 0.00 H new ATOM 873 N ASP A 62 -6.515 -11.775 0.299 1.00 0.00 N ATOM 874 CA ASP A 62 -7.421 -12.728 -0.330 1.00 0.00 C ATOM 875 C ASP A 62 -7.534 -12.464 -1.828 1.00 0.00 C ATOM 876 O ASP A 62 -7.731 -13.388 -2.618 1.00 0.00 O ATOM 877 CB ASP A 62 -8.805 -12.653 0.318 1.00 0.00 C ATOM 878 CG ASP A 62 -9.343 -11.237 0.370 1.00 0.00 C ATOM 879 OD1 ASP A 62 -9.483 -10.616 -0.705 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.627 -10.749 1.484 1.00 0.00 O ATOM 0 H ASP A 62 -6.969 -10.935 0.659 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.013 -13.728 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.499 -13.282 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.752 -13.056 1.329 1.00 0.00 H new ATOM 885 N PHE A 63 -7.407 -11.199 -2.213 1.00 0.00 N ATOM 886 CA PHE A 63 -7.496 -10.815 -3.616 1.00 0.00 C ATOM 887 C PHE A 63 -6.200 -11.144 -4.352 1.00 0.00 C ATOM 888 O PHE A 63 -6.223 -11.602 -5.495 1.00 0.00 O ATOM 889 CB PHE A 63 -7.800 -9.321 -3.740 1.00 0.00 C ATOM 890 CG PHE A 63 -6.794 -8.444 -3.051 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.616 -8.085 -3.688 1.00 0.00 C ATOM 892 CD2 PHE A 63 -7.025 -7.979 -1.767 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.689 -7.279 -3.056 1.00 0.00 C ATOM 894 CE2 PHE A 63 -6.101 -7.172 -1.130 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.932 -6.821 -1.775 1.00 0.00 C ATOM 0 H PHE A 63 -7.242 -10.422 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.307 -11.383 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.840 -9.053 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.788 -9.124 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.421 -8.439 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.938 -8.250 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.775 -7.007 -3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.293 -6.816 -0.129 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.209 -6.190 -1.280 1.00 0.00 H new ATOM 905 N ALA A 64 -5.072 -10.906 -3.690 1.00 0.00 N ATOM 906 CA ALA A 64 -3.767 -11.176 -4.281 1.00 0.00 C ATOM 907 C ALA A 64 -3.038 -12.278 -3.521 1.00 0.00 C ATOM 908 O ALA A 64 -3.325 -12.535 -2.352 1.00 0.00 O ATOM 909 CB ALA A 64 -2.928 -9.908 -4.307 1.00 0.00 C ATOM 0 H ALA A 64 -5.036 -10.527 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.923 -11.518 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.956 -10.124 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.437 -9.147 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.789 -9.543 -3.289 1.00 0.00 H new ATOM 915 N LYS A 65 -2.093 -12.928 -4.193 1.00 0.00 N ATOM 916 CA LYS A 65 -1.321 -14.003 -3.582 1.00 0.00 C ATOM 917 C LYS A 65 0.009 -13.482 -3.047 1.00 0.00 C ATOM 918 O LYS A 65 0.533 -12.478 -3.529 1.00 0.00 O ATOM 919 CB LYS A 65 -1.075 -15.122 -4.595 1.00 0.00 C ATOM 920 CG LYS A 65 -2.102 -16.243 -4.527 1.00 0.00 C ATOM 921 CD LYS A 65 -2.896 -16.355 -5.818 1.00 0.00 C ATOM 922 CE LYS A 65 -2.030 -16.851 -6.964 1.00 0.00 C ATOM 923 NZ LYS A 65 -2.827 -17.578 -7.991 1.00 0.00 N ATOM 0 H LYS A 65 -1.844 -12.728 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.897 -14.400 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.078 -14.698 -5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.082 -15.540 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.597 -17.188 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.783 -16.063 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.734 -17.037 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.317 -15.382 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.525 -16.005 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.254 -17.510 -6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.198 -17.899 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.289 -18.401 -7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.551 -16.942 -8.383 1.00 0.00 H new ATOM 937 N GLY A 66 0.550 -14.172 -2.048 1.00 0.00 N ATOM 938 CA GLY A 66 1.815 -13.764 -1.465 1.00 0.00 C ATOM 939 C GLY A 66 1.636 -12.804 -0.305 1.00 0.00 C ATOM 940 O GLY A 66 0.513 -12.548 0.130 1.00 0.00 O ATOM 0 H GLY A 66 0.135 -15.006 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.355 -14.647 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.430 -13.292 -2.232 1.00 0.00 H new ATOM 944 N GLU A 67 2.745 -12.271 0.196 1.00 0.00 N ATOM 945 CA GLU A 67 2.705 -11.333 1.312 1.00 0.00 C ATOM 946 C GLU A 67 2.316 -9.937 0.837 1.00 0.00 C ATOM 947 O GLU A 67 2.775 -9.476 -0.208 1.00 0.00 O ATOM 948 CB GLU A 67 4.063 -11.286 2.017 1.00 0.00 C ATOM 949 CG GLU A 67 3.960 -11.227 3.532 1.00 0.00 C ATOM 950 CD GLU A 67 5.311 -11.312 4.213 1.00 0.00 C ATOM 951 OE1 GLU A 67 6.157 -10.426 3.966 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.524 -12.263 4.994 1.00 0.00 O ATOM 0 H GLU A 67 3.682 -12.472 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 67 1.950 -11.680 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.640 -12.166 1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.616 -10.415 1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.469 -10.299 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.329 -12.044 3.881 1.00 0.00 H new ATOM 959 N TRP A 68 1.467 -9.270 1.610 1.00 0.00 N ATOM 960 CA TRP A 68 1.016 -7.926 1.268 1.00 0.00 C ATOM 961 C TRP A 68 0.996 -7.029 2.501 1.00 0.00 C ATOM 962 O TRP A 68 0.253 -7.279 3.451 1.00 0.00 O ATOM 963 CB TRP A 68 -0.377 -7.979 0.638 1.00 0.00 C ATOM 964 CG TRP A 68 -0.357 -8.327 -0.818 1.00 0.00 C ATOM 965 CD1 TRP A 68 -0.027 -9.533 -1.369 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.680 -7.461 -1.913 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.125 -9.469 -2.738 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.524 -8.208 -3.095 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.088 -6.127 -2.006 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.761 -7.664 -4.356 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.322 -5.589 -3.257 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.158 -6.356 -4.417 1.00 0.00 C ATOM 0 H TRP A 68 1.077 -9.638 2.478 1.00 0.00 H new ATOM 0 HA TRP A 68 1.718 -7.506 0.547 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.981 -8.713 1.171 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.863 -7.012 0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.268 -10.409 -0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.068 -10.235 -3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.218 -5.528 -1.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.636 -8.253 -5.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.637 -4.559 -3.342 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.349 -5.906 -5.380 1.00 0.00 H new ATOM 983 N CYS A 69 1.816 -5.984 2.479 1.00 0.00 N ATOM 984 CA CYS A 69 1.894 -5.049 3.595 1.00 0.00 C ATOM 985 C CYS A 69 0.770 -4.020 3.523 1.00 0.00 C ATOM 986 O CYS A 69 0.690 -3.240 2.575 1.00 0.00 O ATOM 987 CB CYS A 69 3.250 -4.342 3.601 1.00 0.00 C ATOM 988 SG CYS A 69 3.482 -3.203 4.987 1.00 0.00 S ATOM 0 H CYS A 69 2.436 -5.763 1.700 1.00 0.00 H new ATOM 0 HA CYS A 69 1.784 -5.616 4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.039 -5.093 3.626 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.364 -3.790 2.668 1.00 0.00 H new ATOM 0 HG CYS A 69 4.094 -2.134 4.572 1.00 0.00 H new ATOM 994 N GLY A 70 -0.095 -4.025 4.532 1.00 0.00 N ATOM 995 CA GLY A 70 -1.203 -3.088 4.564 1.00 0.00 C ATOM 996 C GLY A 70 -0.818 -1.757 5.180 1.00 0.00 C ATOM 997 O GLY A 70 -0.839 -1.602 6.401 1.00 0.00 O ATOM 0 H GLY A 70 -0.049 -4.661 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.566 -2.924 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.026 -3.523 5.131 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.465 -0.795 4.334 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.074 0.529 4.803 1.00 0.00 C ATOM 1003 C VAL A 71 -1.184 1.547 4.565 1.00 0.00 C ATOM 1004 O VAL A 71 -1.788 1.581 3.494 1.00 0.00 O ATOM 1005 CB VAL A 71 1.210 1.015 4.106 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.707 2.307 4.738 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.284 -0.061 4.156 1.00 0.00 C ATOM 0 H VAL A 71 -0.442 -0.908 3.320 1.00 0.00 H new ATOM 0 HA VAL A 71 0.113 0.443 5.873 1.00 0.00 H new ATOM 0 HB VAL A 71 0.979 1.217 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.615 2.634 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.941 3.077 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.921 2.137 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.184 0.300 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.514 -0.298 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.925 -0.957 3.650 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.446 2.374 5.571 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.484 3.394 5.472 1.00 0.00 C ATOM 1019 C GLU A 72 -1.898 4.720 4.999 1.00 0.00 C ATOM 1020 O GLU A 72 -1.061 5.317 5.676 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.176 3.581 6.823 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.534 4.257 6.725 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.732 5.324 7.783 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -4.022 5.283 8.809 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -5.600 6.201 7.585 1.00 0.00 O ATOM 0 H GLU A 72 -0.954 2.358 6.464 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.219 3.060 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.298 2.607 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.531 4.173 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.642 4.705 5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.318 3.505 6.821 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.343 5.174 3.832 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.862 6.430 3.268 1.00 0.00 C ATOM 1034 C LEU A 73 -2.553 7.622 3.921 1.00 0.00 C ATOM 1035 O LEU A 73 -3.781 7.713 3.928 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.095 6.458 1.755 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.791 5.147 1.028 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.173 5.251 -0.440 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.321 4.785 1.175 1.00 0.00 C ATOM 0 H LEU A 73 -3.035 4.692 3.259 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.792 6.500 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.135 6.727 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.479 7.247 1.323 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.386 4.355 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.950 4.309 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.239 5.463 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.605 6.055 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.123 3.850 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.293 5.577 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.079 4.668 2.231 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.758 8.533 4.471 1.00 0.00 N ATOM 1052 CA ASP A 74 -2.294 9.720 5.127 1.00 0.00 C ATOM 1053 C ASP A 74 -3.124 10.551 4.154 1.00 0.00 C ATOM 1054 O ASP A 74 -4.097 11.197 4.545 1.00 0.00 O ATOM 1055 CB ASP A 74 -1.157 10.569 5.700 1.00 0.00 C ATOM 1056 CG ASP A 74 -1.508 11.171 7.047 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -2.076 10.448 7.892 1.00 0.00 O ATOM 1058 OD2 ASP A 74 -1.213 12.367 7.257 1.00 0.00 O ATOM 0 H ASP A 74 -0.740 8.472 4.476 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.941 9.394 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.263 9.953 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.915 11.368 5.000 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.735 10.529 2.883 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.443 11.278 1.852 1.00 0.00 C ATOM 1065 C GLU A 75 -4.594 10.455 1.278 1.00 0.00 C ATOM 1066 O GLU A 75 -4.567 9.225 1.318 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.481 11.681 0.733 1.00 0.00 C ATOM 1068 CG GLU A 75 -1.285 12.484 1.218 1.00 0.00 C ATOM 1069 CD GLU A 75 0.038 11.883 0.785 1.00 0.00 C ATOM 1070 OE1 GLU A 75 0.324 10.732 1.179 1.00 0.00 O ATOM 1071 OE2 GLU A 75 0.788 12.562 0.055 1.00 0.00 O ATOM 0 H GLU A 75 -1.932 10.000 2.543 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.854 12.178 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.125 10.782 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.024 12.266 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.358 13.503 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.312 12.547 2.306 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.624 11.125 0.733 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.786 10.446 0.149 1.00 0.00 C ATOM 1080 C PRO A 76 -6.436 9.697 -1.133 1.00 0.00 C ATOM 1081 O PRO A 76 -6.942 10.017 -2.209 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.759 11.591 -0.146 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.894 12.795 -0.297 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.738 12.593 0.643 1.00 0.00 C ATOM 0 HA PRO A 76 -7.193 9.688 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.332 11.399 -1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.477 11.719 0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.548 12.900 -1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.443 13.704 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.823 13.044 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.929 13.042 1.618 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.569 8.698 -1.009 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.150 7.902 -2.158 1.00 0.00 C ATOM 1094 C LEU A 77 -5.583 6.447 -2.003 1.00 0.00 C ATOM 1095 O LEU A 77 -5.895 5.775 -2.985 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.631 7.977 -2.329 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.076 9.382 -2.569 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.598 9.438 -2.213 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.293 9.800 -4.016 1.00 0.00 C ATOM 0 H LEU A 77 -5.143 8.420 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.632 8.312 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.159 7.564 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.343 7.341 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.612 10.080 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.219 10.445 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.467 9.180 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.048 8.729 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.892 10.802 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.783 9.100 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.360 9.798 -4.239 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.600 5.967 -0.763 1.00 0.00 N ATOM 1112 CA GLY A 78 -5.996 4.595 -0.503 1.00 0.00 C ATOM 1113 C GLY A 78 -7.375 4.274 -1.044 1.00 0.00 C ATOM 1114 O GLY A 78 -8.156 5.176 -1.350 1.00 0.00 O ATOM 0 H GLY A 78 -5.347 6.504 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.268 3.919 -0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.980 4.414 0.572 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.677 2.984 -1.164 1.00 0.00 N ATOM 1119 CA LYS A 79 -8.971 2.545 -1.672 1.00 0.00 C ATOM 1120 C LYS A 79 -9.723 1.739 -0.619 1.00 0.00 C ATOM 1121 O LYS A 79 -10.930 1.903 -0.442 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.786 1.705 -2.938 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.054 1.566 -3.765 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.143 2.639 -4.839 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.497 3.330 -4.828 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.446 4.641 -4.124 1.00 0.00 N ATOM 0 H LYS A 79 -7.042 2.225 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.559 3.431 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.008 2.157 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.434 0.712 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.079 0.581 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.924 1.631 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.356 3.377 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.970 2.191 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.836 3.481 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.230 2.685 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.389 5.080 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.148 4.494 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.766 5.266 -4.602 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.002 0.867 0.078 1.00 0.00 N ATOM 1141 CA ASN A 80 -9.599 0.034 1.115 1.00 0.00 C ATOM 1142 C ASN A 80 -9.732 0.807 2.424 1.00 0.00 C ATOM 1143 O ASN A 80 -8.889 1.641 2.751 1.00 0.00 O ATOM 1144 CB ASN A 80 -8.759 -1.224 1.335 1.00 0.00 C ATOM 1145 CG ASN A 80 -8.547 -2.010 0.055 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -9.497 -2.525 -0.534 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -7.297 -2.104 -0.380 1.00 0.00 N ATOM 0 H ASN A 80 -8.002 0.719 -0.057 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.595 -0.257 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.791 -0.943 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.249 -1.860 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.092 -2.620 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.541 -1.660 0.141 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.796 0.521 3.167 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.038 1.190 4.441 1.00 0.00 C ATOM 1156 C ASP A 81 -10.592 0.314 5.608 1.00 0.00 C ATOM 1157 O ASP A 81 -11.169 0.369 6.694 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.521 1.535 4.586 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.413 0.315 4.467 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.297 -0.591 5.319 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.229 0.265 3.522 1.00 0.00 O ATOM 0 H ASP A 81 -11.503 -0.168 2.910 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.455 2.111 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.688 2.011 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.799 2.261 3.822 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.561 -0.492 5.375 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.054 -1.366 6.416 1.00 0.00 C ATOM 1168 C GLY A 82 -9.564 -2.787 6.280 1.00 0.00 C ATOM 1169 O GLY A 82 -8.895 -3.736 6.687 1.00 0.00 O ATOM 0 H GLY A 82 -9.068 -0.555 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.964 -1.370 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.343 -0.971 7.390 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.754 -2.934 5.705 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.353 -4.250 5.515 1.00 0.00 C ATOM 1175 C ALA A 83 -11.423 -4.613 4.036 1.00 0.00 C ATOM 1176 O ALA A 83 -11.817 -3.797 3.204 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.742 -4.290 6.136 1.00 0.00 C ATOM 0 H ALA A 83 -11.322 -2.159 5.363 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.721 -4.986 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.179 -5.278 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.669 -4.082 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.374 -3.539 5.662 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.036 -5.843 3.716 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.055 -6.315 2.336 1.00 0.00 C ATOM 1185 C VAL A 84 -11.807 -7.636 2.218 1.00 0.00 C ATOM 1186 O VAL A 84 -11.541 -8.582 2.959 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.626 -6.498 1.786 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.663 -6.840 0.304 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.794 -5.247 2.031 1.00 0.00 C ATOM 0 H VAL A 84 -10.706 -6.531 4.393 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.568 -5.555 1.747 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.157 -7.328 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.645 -6.965 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.219 -7.766 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.151 -6.034 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.789 -5.395 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.259 -4.397 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.738 -5.051 3.102 1.00 0.00 H new ATOM 1199 N ALA A 85 -12.747 -7.693 1.280 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.540 -8.898 1.061 1.00 0.00 C ATOM 1201 C ALA A 85 -14.272 -9.314 2.334 1.00 0.00 C ATOM 1202 O ALA A 85 -14.544 -10.495 2.546 1.00 0.00 O ATOM 1203 CB ALA A 85 -12.653 -10.030 0.567 1.00 0.00 C ATOM 0 H ALA A 85 -12.979 -6.918 0.659 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.288 -8.677 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.258 -10.923 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.181 -9.739 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.884 -10.240 1.310 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.587 -8.336 3.177 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.285 -8.623 4.417 1.00 0.00 C ATOM 1211 C GLY A 86 -14.341 -8.761 5.596 1.00 0.00 C ATOM 1212 O GLY A 86 -14.721 -8.497 6.737 1.00 0.00 O ATOM 0 H GLY A 86 -14.372 -7.351 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.001 -7.826 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.857 -9.544 4.304 1.00 0.00 H new ATOM 1216 N THR A 87 -13.108 -9.173 5.321 1.00 0.00 N ATOM 1217 CA THR A 87 -12.108 -9.345 6.369 1.00 0.00 C ATOM 1218 C THR A 87 -11.569 -7.996 6.830 1.00 0.00 C ATOM 1219 O THR A 87 -11.130 -7.181 6.019 1.00 0.00 O ATOM 1220 CB THR A 87 -10.961 -10.223 5.869 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.435 -11.202 4.961 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.229 -10.942 6.981 1.00 0.00 C ATOM 0 H THR A 87 -12.777 -9.394 4.382 1.00 0.00 H new ATOM 0 HA THR A 87 -12.586 -9.834 7.218 1.00 0.00 H new ATOM 0 HB THR A 87 -10.266 -9.539 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.685 -11.752 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.428 -11.547 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.806 -10.211 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.925 -11.586 7.518 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.604 -7.766 8.139 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.119 -6.515 8.709 1.00 0.00 C ATOM 1232 C ARG A 88 -9.654 -6.635 9.116 1.00 0.00 C ATOM 1233 O ARG A 88 -9.272 -7.559 9.834 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.967 -6.119 9.918 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.269 -4.630 9.987 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.748 -4.367 10.228 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.566 -4.734 9.072 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.251 -5.873 8.970 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.220 -6.772 9.947 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.970 -6.115 7.883 1.00 0.00 N ATOM 0 H ARG A 88 -11.963 -8.430 8.825 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.203 -5.740 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.906 -6.671 9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.449 -6.419 10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.684 -4.177 10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.961 -4.153 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.079 -4.931 11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.896 -3.311 10.456 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.615 -4.076 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.668 -6.594 10.786 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.748 -7.640 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.998 -5.431 7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.495 -6.986 7.802 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.837 -5.694 8.653 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.413 -5.695 8.968 1.00 0.00 C ATOM 1256 C TYR A 89 -7.083 -4.620 9.998 1.00 0.00 C ATOM 1257 O TYR A 89 -6.676 -4.924 11.119 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.588 -5.473 7.699 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.803 -6.532 6.643 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -8.042 -6.694 6.036 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.767 -7.370 6.250 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -8.243 -7.661 5.069 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.959 -8.339 5.284 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.199 -8.481 4.697 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.394 -9.445 3.735 1.00 0.00 O ATOM 0 H TYR A 89 -9.137 -4.921 8.059 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.161 -6.667 9.391 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.837 -4.498 7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.531 -5.445 7.963 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.862 -6.053 6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.795 -7.262 6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.213 -7.774 4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.142 -8.982 4.990 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.558 -9.935 3.589 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.261 -3.361 9.609 1.00 0.00 N ATOM 1276 CA PHE A 90 -6.982 -2.241 10.500 1.00 0.00 C ATOM 1277 C PHE A 90 -8.088 -1.194 10.419 1.00 0.00 C ATOM 1278 O PHE A 90 -8.341 -0.623 9.359 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.636 -1.605 10.146 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.513 -1.225 8.698 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.912 0.026 8.259 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -4.997 -2.122 7.775 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -5.800 0.378 6.928 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -4.882 -1.776 6.443 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.284 -0.524 6.018 1.00 0.00 C ATOM 0 H PHE A 90 -7.597 -3.092 8.684 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.940 -2.622 11.521 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.491 -0.716 10.760 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.837 -2.301 10.399 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.316 0.735 8.966 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.682 -3.102 8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.115 1.357 6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.478 -2.483 5.734 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.195 -0.251 4.977 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.745 -0.947 11.548 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.825 0.032 11.606 1.00 0.00 C ATOM 1297 C GLN A 91 -9.309 1.431 11.285 1.00 0.00 C ATOM 1298 O GLN A 91 -8.477 1.977 12.009 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.479 0.021 12.989 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.986 0.216 12.950 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.391 1.489 12.233 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.531 2.545 12.851 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.582 1.395 10.923 1.00 0.00 N ATOM 0 H GLN A 91 -8.548 -1.411 12.435 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.570 -0.241 10.858 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.256 -0.926 13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.035 0.808 13.598 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.446 -0.638 12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.372 0.239 13.969 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.455 0.499 10.452 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.856 2.219 10.387 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.808 2.005 10.195 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.397 3.341 9.779 1.00 0.00 C ATOM 1314 C CYS A 92 -10.427 3.959 8.841 1.00 0.00 C ATOM 1315 O CYS A 92 -11.378 3.297 8.424 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.031 3.286 9.092 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.634 3.569 10.203 1.00 0.00 S ATOM 0 H CYS A 92 -10.497 1.566 9.584 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.323 3.965 10.669 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.913 2.311 8.619 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.006 4.031 8.297 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.869 3.002 11.349 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.232 5.231 8.511 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.144 5.938 7.620 1.00 0.00 C ATOM 1325 C GLN A 93 -10.964 5.475 6.177 1.00 0.00 C ATOM 1326 O GLN A 93 -9.866 5.089 5.773 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.916 7.448 7.717 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.767 8.125 8.778 1.00 0.00 C ATOM 1329 CD GLN A 93 -12.055 9.577 8.456 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -11.675 10.479 9.204 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -12.731 9.812 7.337 1.00 0.00 N ATOM 0 H GLN A 93 -9.450 5.793 8.847 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.164 5.711 7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.864 7.635 7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.128 7.902 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.709 7.586 8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.258 8.064 9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.026 9.034 6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.955 10.770 7.068 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.043 5.510 5.376 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.997 5.091 3.970 1.00 0.00 C ATOM 1342 C PRO A 94 -11.128 6.013 3.121 1.00 0.00 C ATOM 1343 O PRO A 94 -10.819 7.135 3.524 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.460 5.172 3.522 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.096 6.134 4.463 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.389 5.956 5.777 1.00 0.00 C ATOM 0 HA PRO A 94 -11.559 4.099 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.539 5.517 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.942 4.196 3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.996 7.157 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.163 5.934 4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.353 6.886 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.887 5.218 6.406 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.737 5.533 1.945 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.902 6.314 1.041 1.00 0.00 C ATOM 1356 C LYS A 95 -8.558 6.640 1.686 1.00 0.00 C ATOM 1357 O LYS A 95 -7.969 7.688 1.424 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.621 7.606 0.638 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.221 7.557 -0.758 1.00 0.00 C ATOM 1360 CD LYS A 95 -10.239 8.063 -1.803 1.00 0.00 C ATOM 1361 CE LYS A 95 -10.610 7.583 -3.198 1.00 0.00 C ATOM 1362 NZ LYS A 95 -11.076 8.701 -4.065 1.00 0.00 N ATOM 0 H LYS A 95 -10.985 4.607 1.596 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.717 5.717 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.413 7.811 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.917 8.436 0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.511 6.533 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.128 8.160 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.218 9.153 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.234 7.721 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.747 7.103 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.394 6.829 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.319 8.332 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.915 9.144 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.319 9.409 -4.155 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.080 5.733 2.531 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.806 5.922 3.214 1.00 0.00 C ATOM 1378 C TYR A 96 -6.010 4.621 3.252 1.00 0.00 C ATOM 1379 O TYR A 96 -4.849 4.581 2.848 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.037 6.433 4.637 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.514 7.867 4.696 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.751 8.895 4.155 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.725 8.193 5.293 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -7.183 10.206 4.207 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -9.163 9.502 5.349 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.389 10.505 4.805 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.822 11.809 4.859 1.00 0.00 O ATOM 0 H TYR A 96 -8.556 4.860 2.759 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.231 6.663 2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.771 5.794 5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.109 6.344 5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.805 8.665 3.687 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.334 7.410 5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.579 10.993 3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.107 9.739 5.817 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.690 11.847 5.312 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.644 3.559 3.740 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.981 2.272 3.821 1.00 0.00 C ATOM 1399 C GLY A 97 -5.683 1.686 2.455 1.00 0.00 C ATOM 1400 O GLY A 97 -6.561 1.621 1.594 1.00 0.00 O ATOM 0 H GLY A 97 -7.605 3.568 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.050 2.381 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.608 1.578 4.382 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.441 1.259 2.254 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.029 0.675 0.983 1.00 0.00 C ATOM 1406 C LEU A 98 -3.107 -0.520 1.206 1.00 0.00 C ATOM 1407 O LEU A 98 -2.358 -0.566 2.182 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.324 1.725 0.122 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.977 1.272 -1.297 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.138 1.538 -2.242 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.718 1.972 -1.787 1.00 0.00 C ATOM 0 H LEU A 98 -3.702 1.306 2.955 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.922 0.328 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.960 2.608 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.406 2.028 0.625 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.789 0.198 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.872 1.209 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.017 0.991 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.358 2.605 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.486 1.638 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.879 3.050 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.886 1.730 -1.125 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.167 -1.485 0.294 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.337 -2.681 0.390 1.00 0.00 C ATOM 1425 C PHE A 99 -1.346 -2.749 -0.767 1.00 0.00 C ATOM 1426 O PHE A 99 -1.621 -2.259 -1.862 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.213 -3.935 0.400 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.825 -4.231 1.740 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -4.635 -3.297 2.366 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.590 -5.441 2.372 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.201 -3.565 3.598 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -4.152 -5.715 3.605 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.959 -4.776 4.218 1.00 0.00 C ATOM 0 H PHE A 99 -3.781 -1.462 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.776 -2.630 1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.009 -3.818 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.613 -4.790 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.826 -2.349 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.961 -6.179 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.831 -2.829 4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.960 -6.662 4.088 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.400 -4.988 5.181 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.192 -3.360 -0.516 1.00 0.00 N ATOM 1444 CA ALA A 100 0.839 -3.491 -1.539 1.00 0.00 C ATOM 1445 C ALA A 100 1.798 -4.633 -1.207 1.00 0.00 C ATOM 1446 O ALA A 100 2.068 -4.904 -0.036 1.00 0.00 O ATOM 1447 CB ALA A 100 1.604 -2.185 -1.689 1.00 0.00 C ATOM 0 H ALA A 100 0.052 -3.771 0.385 1.00 0.00 H new ATOM 0 HA ALA A 100 0.350 -3.723 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.370 -2.298 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.915 -1.391 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.075 -1.928 -0.740 1.00 0.00 H new ATOM 1453 N PRO A 101 2.330 -5.317 -2.235 1.00 0.00 N ATOM 1454 CA PRO A 101 3.264 -6.430 -2.039 1.00 0.00 C ATOM 1455 C PRO A 101 4.536 -5.993 -1.319 1.00 0.00 C ATOM 1456 O PRO A 101 5.147 -4.987 -1.675 1.00 0.00 O ATOM 1457 CB PRO A 101 3.593 -6.894 -3.464 1.00 0.00 C ATOM 1458 CG PRO A 101 2.518 -6.329 -4.326 1.00 0.00 C ATOM 1459 CD PRO A 101 2.068 -5.061 -3.660 1.00 0.00 C ATOM 0 HA PRO A 101 2.831 -7.213 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.574 -6.537 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.615 -7.982 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.890 -6.130 -5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.690 -7.031 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.624 -4.197 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.013 -4.862 -3.846 1.00 0.00 H new ATOM 1467 N VAL A 102 4.927 -6.755 -0.303 1.00 0.00 N ATOM 1468 CA VAL A 102 6.124 -6.442 0.471 1.00 0.00 C ATOM 1469 C VAL A 102 7.352 -6.318 -0.428 1.00 0.00 C ATOM 1470 O VAL A 102 8.101 -5.345 -0.336 1.00 0.00 O ATOM 1471 CB VAL A 102 6.395 -7.509 1.549 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.323 -7.463 2.627 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.476 -8.896 0.929 1.00 0.00 C ATOM 0 H VAL A 102 4.433 -7.593 0.004 1.00 0.00 H new ATOM 0 HA VAL A 102 5.939 -5.484 0.957 1.00 0.00 H new ATOM 0 HB VAL A 102 7.357 -7.289 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.531 -8.224 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.321 -6.479 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.348 -7.653 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.668 -9.633 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.533 -9.129 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.285 -8.922 0.199 1.00 0.00 H new ATOM 1483 N HIS A 103 7.555 -7.305 -1.296 1.00 0.00 N ATOM 1484 CA HIS A 103 8.695 -7.298 -2.206 1.00 0.00 C ATOM 1485 C HIS A 103 8.716 -6.031 -3.058 1.00 0.00 C ATOM 1486 O HIS A 103 9.767 -5.627 -3.557 1.00 0.00 O ATOM 1487 CB HIS A 103 8.671 -8.537 -3.105 1.00 0.00 C ATOM 1488 CG HIS A 103 7.520 -8.568 -4.063 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.649 -8.826 -5.410 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.194 -8.372 -3.846 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.427 -8.778 -5.957 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.508 -8.507 -5.050 1.00 0.00 N ATOM 0 H HIS A 103 6.946 -8.118 -1.388 1.00 0.00 H new ATOM 0 HA HIS A 103 9.602 -7.316 -1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.602 -8.583 -3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.634 -9.428 -2.478 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.520 -9.019 -5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.743 -8.147 -2.891 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.221 -8.940 -7.005 1.00 0.00 H new ATOM 1500 N LYS A 104 7.554 -5.404 -3.216 1.00 0.00 N ATOM 1501 CA LYS A 104 7.450 -4.181 -4.004 1.00 0.00 C ATOM 1502 C LYS A 104 7.666 -2.951 -3.126 1.00 0.00 C ATOM 1503 O LYS A 104 8.091 -1.901 -3.607 1.00 0.00 O ATOM 1504 CB LYS A 104 6.081 -4.103 -4.688 1.00 0.00 C ATOM 1505 CG LYS A 104 6.163 -4.052 -6.205 1.00 0.00 C ATOM 1506 CD LYS A 104 5.078 -4.899 -6.852 1.00 0.00 C ATOM 1507 CE LYS A 104 5.051 -4.716 -8.361 1.00 0.00 C ATOM 1508 NZ LYS A 104 5.474 -5.952 -9.077 1.00 0.00 N ATOM 0 H LYS A 104 6.674 -5.722 -2.810 1.00 0.00 H new ATOM 0 HA LYS A 104 8.227 -4.202 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.487 -4.968 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.555 -3.218 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.068 -3.019 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.142 -4.404 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.246 -5.950 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.108 -4.629 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.044 -4.440 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.708 -3.892 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.442 -5.787 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.444 -6.201 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.832 -6.732 -8.832 1.00 0.00 H new ATOM 1522 N VAL A 105 7.371 -3.088 -1.837 1.00 0.00 N ATOM 1523 CA VAL A 105 7.534 -1.988 -0.895 1.00 0.00 C ATOM 1524 C VAL A 105 9.005 -1.766 -0.558 1.00 0.00 C ATOM 1525 O VAL A 105 9.831 -2.664 -0.721 1.00 0.00 O ATOM 1526 CB VAL A 105 6.752 -2.242 0.408 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.800 -1.018 1.310 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.313 -2.632 0.102 1.00 0.00 C ATOM 0 H VAL A 105 7.018 -3.950 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 105 7.137 -1.096 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 105 7.224 -3.071 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.242 -1.218 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.836 -0.790 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.356 -0.167 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.777 -2.807 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.827 -1.827 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.302 -3.541 -0.499 1.00 0.00 H new ATOM 1538 N THR A 106 9.324 -0.565 -0.087 1.00 0.00 N ATOM 1539 CA THR A 106 10.696 -0.225 0.274 1.00 0.00 C ATOM 1540 C THR A 106 10.730 0.642 1.528 1.00 0.00 C ATOM 1541 O THR A 106 9.919 1.554 1.687 1.00 0.00 O ATOM 1542 CB THR A 106 11.382 0.505 -0.882 1.00 0.00 C ATOM 1543 OG1 THR A 106 12.627 1.038 -0.470 1.00 0.00 O ATOM 1544 CG2 THR A 106 10.558 1.645 -1.442 1.00 0.00 C ATOM 0 H THR A 106 8.652 0.189 0.054 1.00 0.00 H new ATOM 0 HA THR A 106 11.232 -1.152 0.480 1.00 0.00 H new ATOM 0 HB THR A 106 11.512 -0.246 -1.661 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.051 1.500 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 106 11.102 2.120 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 106 9.609 1.259 -1.814 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.369 2.377 -0.657 1.00 0.00 H new ATOM 1552 N LYS A 107 11.673 0.349 2.417 1.00 0.00 N ATOM 1553 CA LYS A 107 11.813 1.102 3.658 1.00 0.00 C ATOM 1554 C LYS A 107 12.359 2.501 3.386 1.00 0.00 C ATOM 1555 O LYS A 107 13.085 2.716 2.416 1.00 0.00 O ATOM 1556 CB LYS A 107 12.734 0.358 4.628 1.00 0.00 C ATOM 1557 CG LYS A 107 12.082 0.041 5.965 1.00 0.00 C ATOM 1558 CD LYS A 107 12.613 -1.257 6.552 1.00 0.00 C ATOM 1559 CE LYS A 107 12.908 -1.120 8.037 1.00 0.00 C ATOM 1560 NZ LYS A 107 11.817 -1.694 8.874 1.00 0.00 N ATOM 0 H LYS A 107 12.351 -0.404 2.301 1.00 0.00 H new ATOM 0 HA LYS A 107 10.826 1.200 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.062 -0.572 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.626 0.959 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.265 0.858 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.002 -0.032 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.884 -2.052 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.521 -1.550 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.847 -1.623 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.041 -0.067 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.055 -1.581 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.926 -1.197 8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.707 -2.705 8.655 1.00 0.00 H new ATOM 1574 N ILE A 108 12.003 3.448 4.247 1.00 0.00 N ATOM 1575 CA ILE A 108 12.457 4.825 4.098 1.00 0.00 C ATOM 1576 C ILE A 108 12.635 5.497 5.456 1.00 0.00 C ATOM 1577 O ILE A 108 11.743 5.453 6.303 1.00 0.00 O ATOM 1578 CB ILE A 108 11.471 5.654 3.254 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.045 5.479 3.778 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.556 5.249 1.789 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.206 6.735 3.679 1.00 0.00 C ATOM 0 H ILE A 108 11.402 3.287 5.055 1.00 0.00 H new ATOM 0 HA ILE A 108 13.419 4.786 3.586 1.00 0.00 H new ATOM 0 HB ILE A 108 11.742 6.707 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.557 4.681 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.086 5.160 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.853 5.844 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.568 5.420 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.308 4.192 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.207 6.537 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.672 7.530 4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.134 7.043 2.636 1.00 0.00 H new