USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 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 USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0206) USER MOD Single : A 61 THR OG1 : rot 90:sc= 0.215 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -160:sc= -0.856 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.1) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 165:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.022) USER MOD Single : A 92 CYS SG : rot 32:sc= -0.837 USER MOD Single : A 93 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.5!) USER MOD Single : A 95 LYS NZ :NH3+ -160:sc= -0.0971 (180deg=-0.535) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-5.6!) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0632) 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 8.470 -5.977 8.853 1.00 0.00 N ATOM 522 CA LEU A 39 8.094 -4.621 9.234 1.00 0.00 C ATOM 523 C LEU A 39 7.365 -4.615 10.573 1.00 0.00 C ATOM 524 O LEU A 39 7.204 -5.656 11.209 1.00 0.00 O ATOM 525 CB LEU A 39 7.209 -3.995 8.155 1.00 0.00 C ATOM 526 CG LEU A 39 7.856 -3.884 6.772 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.400 -5.026 5.876 1.00 0.00 C ATOM 528 CD2 LEU A 39 7.528 -2.541 6.135 1.00 0.00 C ATOM 0 HA LEU A 39 9.005 -4.031 9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.297 -4.585 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.913 -2.998 8.482 1.00 0.00 H new ATOM 0 HG LEU A 39 8.937 -3.952 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.870 -4.931 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.686 -5.977 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.316 -4.990 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.996 -2.480 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.448 -2.443 6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.905 -1.737 6.767 1.00 0.00 H new ATOM 540 N LYS A 40 6.925 -3.434 10.996 1.00 0.00 N ATOM 541 CA LYS A 40 6.212 -3.292 12.260 1.00 0.00 C ATOM 542 C LYS A 40 5.074 -2.284 12.134 1.00 0.00 C ATOM 543 O LYS A 40 5.076 -1.441 11.237 1.00 0.00 O ATOM 544 CB LYS A 40 7.175 -2.858 13.367 1.00 0.00 C ATOM 545 CG LYS A 40 6.947 -3.577 14.689 1.00 0.00 C ATOM 546 CD LYS A 40 8.167 -4.381 15.107 1.00 0.00 C ATOM 547 CE LYS A 40 8.396 -4.306 16.607 1.00 0.00 C ATOM 548 NZ LYS A 40 9.018 -5.552 17.137 1.00 0.00 N ATOM 0 H LYS A 40 7.050 -2.562 10.482 1.00 0.00 H new ATOM 0 HA LYS A 40 5.786 -4.261 12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.198 -3.037 13.037 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.074 -1.784 13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.708 -2.848 15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.087 -4.240 14.599 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.038 -5.422 14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.047 -4.007 14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.038 -3.455 16.834 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.445 -4.132 17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.158 -5.461 18.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.394 -6.361 16.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.937 -5.705 16.675 1.00 0.00 H new ATOM 562 N ILE A 41 4.104 -2.377 13.037 1.00 0.00 N ATOM 563 CA ILE A 41 2.961 -1.473 13.026 1.00 0.00 C ATOM 564 C ILE A 41 3.365 -0.070 13.467 1.00 0.00 C ATOM 565 O ILE A 41 3.413 0.226 14.661 1.00 0.00 O ATOM 566 CB ILE A 41 1.832 -1.981 13.944 1.00 0.00 C ATOM 567 CG1 ILE A 41 1.540 -3.457 13.661 1.00 0.00 C ATOM 568 CG2 ILE A 41 0.578 -1.141 13.757 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.157 -3.731 12.222 1.00 0.00 C ATOM 0 H ILE A 41 4.087 -3.070 13.786 1.00 0.00 H new ATOM 0 HA ILE A 41 2.597 -1.438 11.999 1.00 0.00 H new ATOM 0 HB ILE A 41 2.156 -1.887 14.980 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.420 -4.048 13.913 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.733 -3.791 14.313 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.210 -1.513 14.412 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.796 -0.102 14.004 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.248 -1.206 12.720 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.964 -4.796 12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.259 -3.167 11.971 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.972 -3.428 11.565 1.00 0.00 H new ATOM 581 N GLY A 42 3.654 0.790 12.496 1.00 0.00 N ATOM 582 CA GLY A 42 4.050 2.151 12.804 1.00 0.00 C ATOM 583 C GLY A 42 5.144 2.660 11.886 1.00 0.00 C ATOM 584 O GLY A 42 5.245 3.860 11.635 1.00 0.00 O ATOM 0 H GLY A 42 3.621 0.568 11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.181 2.805 12.726 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.395 2.201 13.837 1.00 0.00 H new ATOM 588 N ASP A 43 5.965 1.743 11.384 1.00 0.00 N ATOM 589 CA ASP A 43 7.058 2.105 10.488 1.00 0.00 C ATOM 590 C ASP A 43 6.523 2.721 9.199 1.00 0.00 C ATOM 591 O ASP A 43 5.418 2.403 8.759 1.00 0.00 O ATOM 592 CB ASP A 43 7.909 0.875 10.164 1.00 0.00 C ATOM 593 CG ASP A 43 8.506 0.243 11.406 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.003 0.991 12.273 1.00 0.00 O ATOM 595 OD2 ASP A 43 8.478 -1.002 11.510 1.00 0.00 O ATOM 0 H ASP A 43 5.894 0.745 11.582 1.00 0.00 H new ATOM 0 HA ASP A 43 7.679 2.845 10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.296 0.139 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.711 1.160 9.483 1.00 0.00 H new ATOM 600 N ARG A 44 7.314 3.604 8.600 1.00 0.00 N ATOM 601 CA ARG A 44 6.920 4.265 7.361 1.00 0.00 C ATOM 602 C ARG A 44 7.554 3.582 6.155 1.00 0.00 C ATOM 603 O ARG A 44 8.712 3.166 6.202 1.00 0.00 O ATOM 604 CB ARG A 44 7.321 5.741 7.395 1.00 0.00 C ATOM 605 CG ARG A 44 6.336 6.622 8.150 1.00 0.00 C ATOM 606 CD ARG A 44 5.869 7.794 7.302 1.00 0.00 C ATOM 607 NE ARG A 44 4.726 8.481 7.899 1.00 0.00 N ATOM 608 CZ ARG A 44 4.826 9.354 8.899 1.00 0.00 C ATOM 609 NH1 ARG A 44 6.011 9.649 9.417 1.00 0.00 N ATOM 610 NH2 ARG A 44 3.735 9.934 9.383 1.00 0.00 N ATOM 0 H ARG A 44 8.231 3.879 8.952 1.00 0.00 H new ATOM 0 HA ARG A 44 5.836 4.192 7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.304 5.831 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.414 6.107 6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.475 6.027 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.805 6.995 9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.690 8.500 7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.599 7.437 6.308 1.00 0.00 H new ATOM 0 HE ARG A 44 3.797 8.280 7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.853 9.206 9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.080 10.319 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.821 9.711 8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.810 10.603 10.149 1.00 0.00 H new ATOM 624 N VAL A 45 6.790 3.471 5.073 1.00 0.00 N ATOM 625 CA VAL A 45 7.277 2.839 3.854 1.00 0.00 C ATOM 626 C VAL A 45 6.770 3.568 2.615 1.00 0.00 C ATOM 627 O VAL A 45 5.740 4.241 2.657 1.00 0.00 O ATOM 628 CB VAL A 45 6.850 1.362 3.776 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.678 0.513 4.729 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.365 1.219 4.076 1.00 0.00 C ATOM 0 H VAL A 45 5.830 3.811 5.017 1.00 0.00 H new ATOM 0 HA VAL A 45 8.365 2.894 3.885 1.00 0.00 H new ATOM 0 HB VAL A 45 7.029 1.005 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.361 -0.527 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.732 0.590 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.535 0.868 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.081 0.168 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.159 1.594 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.790 1.792 3.349 1.00 0.00 H new ATOM 640 N LEU A 46 7.500 3.430 1.513 1.00 0.00 N ATOM 641 CA LEU A 46 7.124 4.078 0.261 1.00 0.00 C ATOM 642 C LEU A 46 7.018 3.056 -0.867 1.00 0.00 C ATOM 643 O LEU A 46 7.782 2.093 -0.920 1.00 0.00 O ATOM 644 CB LEU A 46 8.144 5.156 -0.107 1.00 0.00 C ATOM 645 CG LEU A 46 7.863 5.893 -1.417 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.986 7.110 -1.168 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.166 6.300 -2.089 1.00 0.00 C ATOM 0 H LEU A 46 8.355 2.876 1.461 1.00 0.00 H new ATOM 0 HA LEU A 46 6.149 4.544 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.186 5.886 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.130 4.695 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 46 7.328 5.217 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.797 7.621 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.039 6.793 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.492 7.789 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.947 6.823 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.727 6.958 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.758 5.410 -2.303 1.00 0.00 H new ATOM 659 N VAL A 47 6.064 3.275 -1.768 1.00 0.00 N ATOM 660 CA VAL A 47 5.858 2.376 -2.896 1.00 0.00 C ATOM 661 C VAL A 47 5.449 3.147 -4.147 1.00 0.00 C ATOM 662 O VAL A 47 4.474 3.899 -4.133 1.00 0.00 O ATOM 663 CB VAL A 47 4.784 1.316 -2.579 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.443 1.977 -2.297 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.664 0.315 -3.720 1.00 0.00 C ATOM 0 H VAL A 47 5.422 4.067 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 47 6.808 1.874 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 47 5.091 0.776 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.699 1.211 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.540 2.647 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.128 2.547 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.901 -0.424 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.384 0.838 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.621 -0.186 -3.867 1.00 0.00 H new ATOM 675 N GLY A 48 6.200 2.955 -5.226 1.00 0.00 N ATOM 676 CA GLY A 48 5.900 3.639 -6.470 1.00 0.00 C ATOM 677 C GLY A 48 6.735 4.889 -6.660 1.00 0.00 C ATOM 678 O GLY A 48 7.091 5.241 -7.785 1.00 0.00 O ATOM 0 H GLY A 48 7.011 2.338 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.073 2.960 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.843 3.905 -6.489 1.00 0.00 H new ATOM 682 N GLY A 49 7.050 5.562 -5.558 1.00 0.00 N ATOM 683 CA GLY A 49 7.846 6.773 -5.630 1.00 0.00 C ATOM 684 C GLY A 49 7.046 8.015 -5.294 1.00 0.00 C ATOM 685 O GLY A 49 7.347 9.107 -5.779 1.00 0.00 O ATOM 0 H GLY A 49 6.768 5.290 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.689 6.691 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.260 6.872 -6.633 1.00 0.00 H new ATOM 689 N THR A 50 6.022 7.851 -4.462 1.00 0.00 N ATOM 690 CA THR A 50 5.175 8.968 -4.062 1.00 0.00 C ATOM 691 C THR A 50 4.316 8.596 -2.858 1.00 0.00 C ATOM 692 O THR A 50 4.256 9.332 -1.873 1.00 0.00 O ATOM 693 CB THR A 50 4.284 9.401 -5.227 1.00 0.00 C ATOM 694 OG1 THR A 50 4.018 8.308 -6.088 1.00 0.00 O ATOM 695 CG2 THR A 50 4.887 10.508 -6.064 1.00 0.00 C ATOM 0 H THR A 50 5.759 6.955 -4.052 1.00 0.00 H new ATOM 0 HA THR A 50 5.821 9.799 -3.780 1.00 0.00 H new ATOM 0 HB THR A 50 3.369 9.774 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.445 8.605 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.203 10.767 -6.872 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.058 11.385 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.835 10.171 -6.484 1.00 0.00 H new ATOM 703 N LYS A 51 3.651 7.448 -2.945 1.00 0.00 N ATOM 704 CA LYS A 51 2.793 6.978 -1.863 1.00 0.00 C ATOM 705 C LYS A 51 3.607 6.716 -0.599 1.00 0.00 C ATOM 706 O LYS A 51 4.507 5.877 -0.590 1.00 0.00 O ATOM 707 CB LYS A 51 2.059 5.703 -2.283 1.00 0.00 C ATOM 708 CG LYS A 51 1.243 5.862 -3.555 1.00 0.00 C ATOM 709 CD LYS A 51 0.012 4.970 -3.542 1.00 0.00 C ATOM 710 CE LYS A 51 -0.890 5.248 -4.734 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.521 4.005 -5.257 1.00 0.00 N ATOM 0 H LYS A 51 3.690 6.827 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 51 2.061 7.757 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.787 4.905 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.398 5.391 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.938 6.903 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.862 5.618 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.319 3.924 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.544 5.129 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.667 5.955 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.309 5.721 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.060 4.225 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.782 3.308 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.163 3.613 -4.539 1.00 0.00 H new ATOM 725 N ALA A 52 3.283 7.442 0.467 1.00 0.00 N ATOM 726 CA ALA A 52 3.983 7.288 1.737 1.00 0.00 C ATOM 727 C ALA A 52 3.003 7.264 2.905 1.00 0.00 C ATOM 728 O ALA A 52 2.297 8.241 3.155 1.00 0.00 O ATOM 729 CB ALA A 52 4.996 8.408 1.918 1.00 0.00 C ATOM 0 H ALA A 52 2.541 8.142 0.476 1.00 0.00 H new ATOM 0 HA ALA A 52 4.510 6.334 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.512 8.282 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.722 8.377 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.482 9.369 1.909 1.00 0.00 H new ATOM 735 N GLY A 53 2.965 6.142 3.616 1.00 0.00 N ATOM 736 CA GLY A 53 2.068 6.013 4.749 1.00 0.00 C ATOM 737 C GLY A 53 2.687 5.234 5.893 1.00 0.00 C ATOM 738 O GLY A 53 3.882 4.939 5.876 1.00 0.00 O ATOM 0 H GLY A 53 3.539 5.320 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.786 7.006 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.152 5.516 4.429 1.00 0.00 H new ATOM 742 N VAL A 54 1.873 4.903 6.889 1.00 0.00 N ATOM 743 CA VAL A 54 2.348 4.154 8.047 1.00 0.00 C ATOM 744 C VAL A 54 1.825 2.721 8.027 1.00 0.00 C ATOM 745 O VAL A 54 0.677 2.474 7.658 1.00 0.00 O ATOM 746 CB VAL A 54 1.919 4.825 9.365 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.587 4.147 10.552 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.245 6.311 9.338 1.00 0.00 C ATOM 0 H VAL A 54 0.882 5.141 6.918 1.00 0.00 H new ATOM 0 HA VAL A 54 3.436 4.143 7.991 1.00 0.00 H new ATOM 0 HB VAL A 54 0.840 4.715 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.272 4.635 11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.299 3.096 10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.670 4.224 10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.935 6.769 10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.319 6.446 9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.715 6.785 8.511 1.00 0.00 H new ATOM 758 N VAL A 55 2.675 1.781 8.426 1.00 0.00 N ATOM 759 CA VAL A 55 2.299 0.373 8.454 1.00 0.00 C ATOM 760 C VAL A 55 1.313 0.090 9.583 1.00 0.00 C ATOM 761 O VAL A 55 1.649 0.225 10.761 1.00 0.00 O ATOM 762 CB VAL A 55 3.531 -0.537 8.623 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.139 -2.000 8.493 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.607 -0.174 7.609 1.00 0.00 C ATOM 0 H VAL A 55 3.629 1.969 8.734 1.00 0.00 H new ATOM 0 HA VAL A 55 1.825 0.154 7.497 1.00 0.00 H new ATOM 0 HB VAL A 55 3.938 -0.382 9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.023 -2.626 8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.408 -2.250 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.705 -2.174 7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.469 -0.827 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.213 -0.297 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.911 0.862 7.756 1.00 0.00 H new ATOM 774 N ARG A 56 0.098 -0.302 9.217 1.00 0.00 N ATOM 775 CA ARG A 56 -0.935 -0.605 10.201 1.00 0.00 C ATOM 776 C ARG A 56 -1.156 -2.110 10.314 1.00 0.00 C ATOM 777 O ARG A 56 -1.493 -2.619 11.382 1.00 0.00 O ATOM 778 CB ARG A 56 -2.247 0.088 9.823 1.00 0.00 C ATOM 779 CG ARG A 56 -2.111 1.593 9.650 1.00 0.00 C ATOM 780 CD ARG A 56 -3.270 2.337 10.295 1.00 0.00 C ATOM 781 NE ARG A 56 -2.849 3.611 10.874 1.00 0.00 N ATOM 782 CZ ARG A 56 -2.010 3.716 11.902 1.00 0.00 C ATOM 783 NH1 ARG A 56 -1.502 2.628 12.467 1.00 0.00 N ATOM 784 NH2 ARG A 56 -1.679 4.914 12.366 1.00 0.00 N ATOM 0 H ARG A 56 -0.196 -0.417 8.247 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.600 -0.232 11.169 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.622 -0.344 8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.991 -0.115 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.172 1.927 10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.068 1.835 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.045 2.516 9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.713 1.714 11.072 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.220 4.470 10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.754 1.705 12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.860 2.715 13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.067 5.753 11.935 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.036 4.996 13.154 1.00 0.00 H new ATOM 798 N PHE A 57 -0.963 -2.815 9.204 1.00 0.00 N ATOM 799 CA PHE A 57 -1.141 -4.263 9.179 1.00 0.00 C ATOM 800 C PHE A 57 0.001 -4.938 8.426 1.00 0.00 C ATOM 801 O PHE A 57 0.572 -4.364 7.500 1.00 0.00 O ATOM 802 CB PHE A 57 -2.478 -4.622 8.529 1.00 0.00 C ATOM 803 CG PHE A 57 -2.881 -6.054 8.736 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.480 -7.035 7.843 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.660 -6.418 9.821 1.00 0.00 C ATOM 806 CE1 PHE A 57 -2.849 -8.354 8.031 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.033 -7.735 10.014 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.626 -8.704 9.117 1.00 0.00 C ATOM 0 H PHE A 57 -0.684 -2.408 8.311 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.137 -4.623 10.208 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.255 -3.973 8.933 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.418 -4.421 7.459 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.873 -6.766 6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.980 -5.664 10.525 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.530 -9.110 7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.641 -8.006 10.864 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.915 -9.734 9.265 1.00 0.00 H new ATOM 818 N LEU A 58 0.329 -6.161 8.832 1.00 0.00 N ATOM 819 CA LEU A 58 1.403 -6.915 8.197 1.00 0.00 C ATOM 820 C LEU A 58 1.132 -8.414 8.271 1.00 0.00 C ATOM 821 O LEU A 58 1.303 -9.035 9.320 1.00 0.00 O ATOM 822 CB LEU A 58 2.742 -6.595 8.861 1.00 0.00 C ATOM 823 CG LEU A 58 3.949 -7.327 8.273 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.401 -6.663 6.982 1.00 0.00 C ATOM 825 CD2 LEU A 58 5.089 -7.369 9.281 1.00 0.00 C ATOM 0 H LEU A 58 -0.134 -6.650 9.598 1.00 0.00 H new ATOM 0 HA LEU A 58 1.447 -6.622 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.918 -5.522 8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.671 -6.837 9.921 1.00 0.00 H new ATOM 0 HG LEU A 58 3.653 -8.351 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.261 -7.198 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.587 -6.685 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.679 -5.629 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.940 -7.893 8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.383 -6.352 9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.761 -7.892 10.180 1.00 0.00 H new ATOM 837 N GLY A 59 0.710 -8.990 7.150 1.00 0.00 N ATOM 838 CA GLY A 59 0.424 -10.413 7.110 1.00 0.00 C ATOM 839 C GLY A 59 0.037 -10.887 5.723 1.00 0.00 C ATOM 840 O GLY A 59 0.602 -10.438 4.726 1.00 0.00 O ATOM 0 H GLY A 59 0.561 -8.498 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.300 -10.966 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.384 -10.638 7.806 1.00 0.00 H new ATOM 844 N GLU A 60 -0.927 -11.799 5.659 1.00 0.00 N ATOM 845 CA GLU A 60 -1.389 -12.335 4.384 1.00 0.00 C ATOM 846 C GLU A 60 -2.688 -11.664 3.949 1.00 0.00 C ATOM 847 O GLU A 60 -3.494 -11.251 4.783 1.00 0.00 O ATOM 848 CB GLU A 60 -1.592 -13.848 4.487 1.00 0.00 C ATOM 849 CG GLU A 60 -0.430 -14.574 5.146 1.00 0.00 C ATOM 850 CD GLU A 60 -0.882 -15.527 6.237 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.510 -15.060 7.210 1.00 0.00 O ATOM 852 OE2 GLU A 60 -0.606 -16.739 6.117 1.00 0.00 O ATOM 0 H GLU A 60 -1.404 -12.183 6.475 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.626 -12.128 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.502 -14.046 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.744 -14.255 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.123 -15.130 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.258 -13.842 5.570 1.00 0.00 H new ATOM 859 N THR A 61 -2.884 -11.558 2.640 1.00 0.00 N ATOM 860 CA THR A 61 -4.085 -10.937 2.095 1.00 0.00 C ATOM 861 C THR A 61 -5.125 -11.990 1.729 1.00 0.00 C ATOM 862 O THR A 61 -4.908 -13.186 1.927 1.00 0.00 O ATOM 863 CB THR A 61 -3.737 -10.097 0.865 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.684 -10.695 0.132 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.314 -8.684 1.207 1.00 0.00 C ATOM 0 H THR A 61 -2.227 -11.894 1.936 1.00 0.00 H new ATOM 0 HA THR A 61 -4.507 -10.288 2.862 1.00 0.00 H new ATOM 0 HB THR A 61 -4.653 -10.053 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.057 -11.303 -0.540 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.081 -8.142 0.290 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.125 -8.178 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.431 -8.713 1.846 1.00 0.00 H new ATOM 873 N ASP A 62 -6.256 -11.540 1.195 1.00 0.00 N ATOM 874 CA ASP A 62 -7.330 -12.445 0.803 1.00 0.00 C ATOM 875 C ASP A 62 -7.763 -12.185 -0.636 1.00 0.00 C ATOM 876 O ASP A 62 -8.931 -12.361 -0.984 1.00 0.00 O ATOM 877 CB ASP A 62 -8.526 -12.288 1.744 1.00 0.00 C ATOM 878 CG ASP A 62 -8.400 -13.145 2.987 1.00 0.00 C ATOM 879 OD1 ASP A 62 -7.667 -12.742 3.915 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.036 -14.220 3.034 1.00 0.00 O ATOM 0 H ASP A 62 -6.452 -10.554 1.024 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.954 -13.466 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.621 -11.242 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.440 -12.555 1.213 1.00 0.00 H new ATOM 885 N PHE A 63 -6.815 -11.767 -1.470 1.00 0.00 N ATOM 886 CA PHE A 63 -7.101 -11.486 -2.872 1.00 0.00 C ATOM 887 C PHE A 63 -5.911 -11.850 -3.755 1.00 0.00 C ATOM 888 O PHE A 63 -6.070 -12.498 -4.789 1.00 0.00 O ATOM 889 CB PHE A 63 -7.456 -10.009 -3.057 1.00 0.00 C ATOM 890 CG PHE A 63 -6.406 -9.067 -2.542 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.360 -8.662 -3.357 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.464 -8.586 -1.244 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.393 -7.794 -2.887 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.500 -7.718 -0.768 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.462 -7.322 -1.591 1.00 0.00 C ATOM 0 H PHE A 63 -5.843 -11.616 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.952 -12.097 -3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.619 -9.813 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.397 -9.804 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.300 -9.029 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.272 -8.893 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.584 -7.485 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.557 -7.349 0.246 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.706 -6.645 -1.221 1.00 0.00 H new ATOM 905 N ALA A 64 -4.721 -11.432 -3.338 1.00 0.00 N ATOM 906 CA ALA A 64 -3.505 -11.715 -4.092 1.00 0.00 C ATOM 907 C ALA A 64 -2.599 -12.675 -3.329 1.00 0.00 C ATOM 908 O ALA A 64 -2.661 -12.760 -2.103 1.00 0.00 O ATOM 909 CB ALA A 64 -2.765 -10.423 -4.405 1.00 0.00 C ATOM 0 H ALA A 64 -4.572 -10.896 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.790 -12.193 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.860 -10.650 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.407 -9.770 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.498 -9.922 -3.474 1.00 0.00 H new ATOM 915 N LYS A 65 -1.758 -13.397 -4.062 1.00 0.00 N ATOM 916 CA LYS A 65 -0.839 -14.351 -3.455 1.00 0.00 C ATOM 917 C LYS A 65 0.327 -13.632 -2.785 1.00 0.00 C ATOM 918 O LYS A 65 0.376 -12.401 -2.752 1.00 0.00 O ATOM 919 CB LYS A 65 -0.314 -15.329 -4.509 1.00 0.00 C ATOM 920 CG LYS A 65 -0.247 -16.767 -4.024 1.00 0.00 C ATOM 921 CD LYS A 65 -1.519 -17.528 -4.362 1.00 0.00 C ATOM 922 CE LYS A 65 -1.473 -18.953 -3.833 1.00 0.00 C ATOM 923 NZ LYS A 65 -2.124 -19.914 -4.766 1.00 0.00 N ATOM 0 H LYS A 65 -1.694 -13.339 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.384 -14.908 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.955 -15.281 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.681 -15.013 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.609 -17.266 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.089 -16.782 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.378 -17.009 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.658 -17.544 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.436 -19.248 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.969 -18.996 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.071 -20.874 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.121 -19.648 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.635 -19.892 -5.684 1.00 0.00 H new ATOM 937 N GLY A 66 1.266 -14.406 -2.250 1.00 0.00 N ATOM 938 CA GLY A 66 2.419 -13.825 -1.587 1.00 0.00 C ATOM 939 C GLY A 66 2.043 -13.061 -0.332 1.00 0.00 C ATOM 940 O GLY A 66 0.896 -13.112 0.114 1.00 0.00 O ATOM 0 H GLY A 66 1.249 -15.426 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.123 -14.616 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.931 -13.154 -2.277 1.00 0.00 H new ATOM 944 N GLU A 67 3.011 -12.351 0.238 1.00 0.00 N ATOM 945 CA GLU A 67 2.775 -11.572 1.448 1.00 0.00 C ATOM 946 C GLU A 67 2.631 -10.089 1.122 1.00 0.00 C ATOM 947 O GLU A 67 3.484 -9.505 0.454 1.00 0.00 O ATOM 948 CB GLU A 67 3.920 -11.779 2.443 1.00 0.00 C ATOM 949 CG GLU A 67 3.482 -11.708 3.896 1.00 0.00 C ATOM 950 CD GLU A 67 4.596 -12.070 4.859 1.00 0.00 C ATOM 951 OE1 GLU A 67 5.739 -11.617 4.641 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.326 -12.807 5.830 1.00 0.00 O ATOM 0 H GLU A 67 3.965 -12.299 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 67 1.844 -11.918 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.380 -12.749 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.686 -11.024 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.129 -10.701 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.639 -12.382 4.051 1.00 0.00 H new ATOM 959 N TRP A 68 1.545 -9.488 1.597 1.00 0.00 N ATOM 960 CA TRP A 68 1.288 -8.072 1.356 1.00 0.00 C ATOM 961 C TRP A 68 1.315 -7.284 2.662 1.00 0.00 C ATOM 962 O TRP A 68 0.923 -7.791 3.712 1.00 0.00 O ATOM 963 CB TRP A 68 -0.064 -7.889 0.665 1.00 0.00 C ATOM 964 CG TRP A 68 -0.087 -8.404 -0.742 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.336 -9.629 -1.174 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.556 -7.708 -1.902 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.158 -9.737 -2.531 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.388 -8.571 -3.002 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.102 -6.440 -2.119 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.747 -8.206 -4.297 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.459 -6.079 -3.405 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.280 -6.958 -4.480 1.00 0.00 C ATOM 0 H TRP A 68 0.829 -9.959 2.151 1.00 0.00 H new ATOM 0 HA TRP A 68 2.076 -7.691 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.832 -8.401 1.244 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.321 -6.830 0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.750 -10.400 -0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.394 -10.552 -3.097 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.243 -5.754 -1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.610 -8.883 -5.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.883 -5.102 -3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.568 -6.646 -5.473 1.00 0.00 H new ATOM 983 N CYS A 69 1.781 -6.042 2.587 1.00 0.00 N ATOM 984 CA CYS A 69 1.861 -5.184 3.763 1.00 0.00 C ATOM 985 C CYS A 69 0.796 -4.093 3.713 1.00 0.00 C ATOM 986 O CYS A 69 0.829 -3.218 2.847 1.00 0.00 O ATOM 987 CB CYS A 69 3.250 -4.551 3.866 1.00 0.00 C ATOM 988 SG CYS A 69 3.479 -3.507 5.324 1.00 0.00 S ATOM 0 H CYS A 69 2.109 -5.607 1.724 1.00 0.00 H new ATOM 0 HA CYS A 69 1.684 -5.801 4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.999 -5.343 3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.433 -3.954 2.973 1.00 0.00 H new ATOM 0 HG CYS A 69 4.480 -2.701 5.128 1.00 0.00 H new ATOM 994 N GLY A 70 -0.149 -4.151 4.647 1.00 0.00 N ATOM 995 CA GLY A 70 -1.210 -3.163 4.690 1.00 0.00 C ATOM 996 C GLY A 70 -0.739 -1.830 5.241 1.00 0.00 C ATOM 997 O GLY A 70 -0.627 -1.658 6.454 1.00 0.00 O ATOM 0 H GLY A 70 -0.198 -4.865 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.608 -3.017 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.028 -3.539 5.305 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.462 -0.888 4.346 1.00 0.00 N ATOM 1002 CA VAL A 71 0.000 0.435 4.748 1.00 0.00 C ATOM 1003 C VAL A 71 -1.072 1.491 4.497 1.00 0.00 C ATOM 1004 O VAL A 71 -1.585 1.616 3.386 1.00 0.00 O ATOM 1005 CB VAL A 71 1.283 0.835 3.996 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.857 2.123 4.565 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.309 -0.287 4.058 1.00 0.00 C ATOM 0 H VAL A 71 -0.549 -1.016 3.338 1.00 0.00 H new ATOM 0 HA VAL A 71 0.214 0.384 5.815 1.00 0.00 H new ATOM 0 HB VAL A 71 1.030 1.009 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.763 2.389 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.124 2.924 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.096 1.981 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.209 0.013 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.559 -0.494 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.895 -1.184 3.598 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.405 2.248 5.538 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.415 3.294 5.429 1.00 0.00 C ATOM 1019 C GLU A 72 -1.785 4.621 5.021 1.00 0.00 C ATOM 1020 O GLU A 72 -0.924 5.152 5.722 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.156 3.455 6.758 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.452 4.240 6.641 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.364 5.612 7.281 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.619 5.757 8.272 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -5.043 6.540 6.792 1.00 0.00 O ATOM 0 H GLU A 72 -0.990 2.156 6.465 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.125 2.999 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.375 2.468 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.501 3.955 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.711 4.351 5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.258 3.676 7.110 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.220 5.150 3.882 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.697 6.416 3.381 1.00 0.00 C ATOM 1034 C LEU A 73 -2.273 7.592 4.163 1.00 0.00 C ATOM 1035 O LEU A 73 -3.369 7.504 4.716 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.021 6.572 1.893 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.815 5.313 1.050 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.201 5.572 -0.398 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.372 4.841 1.142 1.00 0.00 C ATOM 0 H LEU A 73 -2.932 4.723 3.290 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.615 6.410 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.059 6.891 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.402 7.370 1.484 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.460 4.526 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.048 4.665 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.250 5.864 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.582 6.373 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.243 3.944 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.291 5.625 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.128 4.616 2.180 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.526 8.690 4.205 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.964 9.884 4.921 1.00 0.00 C ATOM 1053 C ASP A 74 -2.883 10.733 4.049 1.00 0.00 C ATOM 1054 O ASP A 74 -3.810 11.374 4.547 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.753 10.708 5.365 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.460 10.553 6.845 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -0.704 9.453 7.386 1.00 0.00 O ATOM 1058 OD2 ASP A 74 0.014 11.530 7.462 1.00 0.00 O ATOM 0 H ASP A 74 -0.616 8.779 3.753 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.522 9.568 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.121 10.403 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.930 11.760 5.141 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.621 10.733 2.745 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.427 11.503 1.804 1.00 0.00 C ATOM 1065 C GLU A 75 -4.524 10.637 1.191 1.00 0.00 C ATOM 1066 O GLU A 75 -4.438 9.409 1.205 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.540 12.085 0.701 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.153 13.536 0.935 1.00 0.00 C ATOM 1069 CD GLU A 75 -2.000 14.315 -0.357 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -2.720 14.002 -1.327 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -1.157 15.236 -0.399 1.00 0.00 O ATOM 0 H GLU A 75 -1.858 10.209 2.317 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.899 12.320 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.634 11.484 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.061 12.006 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.910 14.014 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.216 13.573 1.490 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.575 11.269 0.641 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.693 10.548 0.021 1.00 0.00 C ATOM 1080 C PRO A 76 -6.289 9.865 -1.281 1.00 0.00 C ATOM 1081 O PRO A 76 -6.528 10.389 -2.369 1.00 0.00 O ATOM 1082 CB PRO A 76 -7.721 11.649 -0.248 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.918 12.898 -0.361 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.757 12.731 0.581 1.00 0.00 C ATOM 0 HA PRO A 76 -7.066 9.747 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.280 11.454 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.448 11.718 0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.572 13.048 -1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.514 13.771 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.863 13.233 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.973 13.150 1.564 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.674 8.692 -1.162 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.237 7.937 -2.330 1.00 0.00 C ATOM 1094 C LEU A 77 -5.412 6.438 -2.105 1.00 0.00 C ATOM 1095 O LEU A 77 -4.651 5.629 -2.635 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.773 8.250 -2.646 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.475 9.721 -2.940 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.992 10.009 -2.766 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.929 10.085 -4.346 1.00 0.00 C ATOM 0 H LEU A 77 -5.467 8.245 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.856 8.234 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.159 7.932 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.467 7.654 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.030 10.334 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.798 11.060 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.696 9.786 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.418 9.387 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.710 11.135 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.401 9.465 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.002 9.916 -4.437 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.418 6.077 -1.316 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.675 4.676 -1.035 1.00 0.00 C ATOM 1113 C GLY A 78 -7.934 4.171 -1.711 1.00 0.00 C ATOM 1114 O GLY A 78 -8.500 4.847 -2.570 1.00 0.00 O ATOM 0 H GLY A 78 -7.060 6.729 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.824 4.080 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.763 4.535 0.042 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.374 2.979 -1.322 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.575 2.382 -1.897 1.00 0.00 C ATOM 1120 C LYS A 79 -10.470 1.802 -0.807 1.00 0.00 C ATOM 1121 O LYS A 79 -11.681 2.024 -0.801 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.195 1.292 -2.903 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.724 1.548 -4.306 1.00 0.00 C ATOM 1124 CD LYS A 79 -8.616 1.476 -5.345 1.00 0.00 C ATOM 1125 CE LYS A 79 -8.787 2.540 -6.416 1.00 0.00 C ATOM 1126 NZ LYS A 79 -7.976 3.755 -6.128 1.00 0.00 N ATOM 0 H LYS A 79 -7.918 2.407 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.130 3.165 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.109 1.208 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.576 0.334 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.495 0.815 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.196 2.530 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.649 1.602 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.614 0.489 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.496 2.131 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.839 2.815 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.121 4.456 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.270 4.161 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.969 3.498 -6.083 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.866 1.056 0.113 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.609 0.444 1.209 1.00 0.00 C ATOM 1142 C ASN A 80 -10.191 1.038 2.550 1.00 0.00 C ATOM 1143 O ASN A 80 -9.056 1.486 2.715 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.390 -1.071 1.220 1.00 0.00 C ATOM 1145 CG ASN A 80 -8.932 -1.448 1.037 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.490 -1.743 -0.073 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.177 -1.441 2.130 1.00 0.00 N ATOM 0 H ASN A 80 -8.865 0.861 0.121 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.668 0.650 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.752 -1.480 2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.982 -1.526 0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.189 -1.687 2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.585 -1.190 3.030 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.115 1.039 3.505 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.843 1.579 4.832 1.00 0.00 C ATOM 1156 C ASP A 81 -10.242 0.510 5.741 1.00 0.00 C ATOM 1157 O ASP A 81 -10.789 0.200 6.800 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.128 2.134 5.453 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.232 1.098 5.519 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -12.913 -0.110 5.535 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.416 1.494 5.558 1.00 0.00 O ATOM 0 H ASP A 81 -12.059 0.672 3.385 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.121 2.389 4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.915 2.498 6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.470 2.989 4.870 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.113 -0.049 5.319 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.457 -1.076 6.105 1.00 0.00 C ATOM 1168 C GLY A 82 -9.258 -2.362 6.166 1.00 0.00 C ATOM 1169 O GLY A 82 -9.157 -3.119 7.133 1.00 0.00 O ATOM 0 H GLY A 82 -8.641 0.191 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.475 -1.283 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.294 -0.705 7.117 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.055 -2.610 5.133 1.00 0.00 N ATOM 1174 CA ALA A 83 -10.877 -3.813 5.072 1.00 0.00 C ATOM 1175 C ALA A 83 -11.031 -4.299 3.635 1.00 0.00 C ATOM 1176 O ALA A 83 -11.393 -3.531 2.745 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.241 -3.551 5.692 1.00 0.00 C ATOM 0 H ALA A 83 -10.150 -1.994 4.326 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.376 -4.596 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.844 -4.457 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.117 -3.257 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.741 -2.750 5.147 1.00 0.00 H new ATOM 1183 N VAL A 84 -10.754 -5.581 3.417 1.00 0.00 N ATOM 1184 CA VAL A 84 -10.863 -6.169 2.088 1.00 0.00 C ATOM 1185 C VAL A 84 -11.634 -7.484 2.129 1.00 0.00 C ATOM 1186 O VAL A 84 -11.367 -8.345 2.967 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.474 -6.421 1.470 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.606 -6.845 0.015 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.600 -5.181 1.595 1.00 0.00 C ATOM 0 H VAL A 84 -10.453 -6.231 4.143 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.404 -5.453 1.469 1.00 0.00 H new ATOM 0 HB VAL A 84 -8.994 -7.232 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.615 -7.018 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.191 -7.763 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.106 -6.058 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.623 -5.378 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.073 -4.349 1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.477 -4.927 2.648 1.00 0.00 H new ATOM 1199 N ALA A 85 -12.589 -7.631 1.217 1.00 0.00 N ATOM 1200 CA ALA A 85 -13.400 -8.841 1.148 1.00 0.00 C ATOM 1201 C ALA A 85 -14.135 -9.091 2.461 1.00 0.00 C ATOM 1202 O ALA A 85 -14.479 -10.228 2.784 1.00 0.00 O ATOM 1203 CB ALA A 85 -12.530 -10.037 0.793 1.00 0.00 C ATOM 0 H ALA A 85 -12.820 -6.928 0.516 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.148 -8.702 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.147 -10.934 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.058 -9.869 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.761 -10.166 1.555 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.374 -8.023 3.216 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.068 -8.152 4.484 1.00 0.00 C ATOM 1211 C GLY A 86 -14.119 -8.287 5.659 1.00 0.00 C ATOM 1212 O GLY A 86 -14.480 -7.980 6.796 1.00 0.00 O ATOM 0 H GLY A 86 -14.100 -7.071 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.705 -7.281 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.722 -9.023 4.449 1.00 0.00 H new ATOM 1216 N THR A 87 -12.902 -8.749 5.389 1.00 0.00 N ATOM 1217 CA THR A 87 -11.901 -8.924 6.435 1.00 0.00 C ATOM 1218 C THR A 87 -11.377 -7.576 6.919 1.00 0.00 C ATOM 1219 O THR A 87 -10.997 -6.722 6.118 1.00 0.00 O ATOM 1220 CB THR A 87 -10.741 -9.780 5.922 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.224 -10.870 5.157 1.00 0.00 O ATOM 1222 CG2 THR A 87 -9.878 -10.344 7.031 1.00 0.00 C ATOM 0 H THR A 87 -12.586 -9.009 4.455 1.00 0.00 H new ATOM 0 HA THR A 87 -12.375 -9.432 7.275 1.00 0.00 H new ATOM 0 HB THR A 87 -10.132 -9.110 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.468 -11.405 4.836 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.075 -10.941 6.599 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.451 -9.526 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.486 -10.972 7.682 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.358 -7.393 8.236 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.879 -6.149 8.827 1.00 0.00 C ATOM 1232 C ARG A 88 -9.414 -6.270 9.232 1.00 0.00 C ATOM 1233 O ARG A 88 -9.026 -7.213 9.924 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.730 -5.778 10.044 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.104 -4.305 10.096 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.611 -4.107 10.037 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.202 -3.994 11.368 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.494 -4.183 11.626 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -16.335 -4.494 10.646 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.948 -4.062 12.865 1.00 0.00 N ATOM 0 H ARG A 88 -11.669 -8.090 8.913 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.966 -5.361 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.641 -6.376 10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.185 -6.039 10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.714 -3.862 11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.635 -3.780 9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.836 -3.208 9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.066 -4.945 9.509 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.588 -3.756 12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.992 -4.589 9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.324 -4.638 10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.307 -3.824 13.622 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.938 -4.207 13.062 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.603 -5.312 8.797 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.179 -5.313 9.114 1.00 0.00 C ATOM 1256 C TYR A 89 -6.846 -4.220 10.124 1.00 0.00 C ATOM 1257 O TYR A 89 -6.170 -4.470 11.123 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.352 -5.118 7.841 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.619 -6.163 6.781 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -5.917 -7.362 6.769 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -7.571 -5.950 5.793 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -6.158 -8.320 5.801 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -7.818 -6.903 4.822 1.00 0.00 C ATOM 1264 CZ TYR A 89 -7.108 -8.085 4.831 1.00 0.00 C ATOM 1265 OH TYR A 89 -7.351 -9.035 3.866 1.00 0.00 O ATOM 0 H TYR A 89 -8.907 -4.525 8.224 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.931 -6.278 9.556 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.563 -4.131 7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.293 -5.136 8.099 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.171 -7.549 7.528 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.128 -5.025 5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.605 -9.247 5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.563 -6.723 4.061 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.195 -8.831 3.412 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.324 -3.009 9.858 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.076 -1.878 10.745 1.00 0.00 C ATOM 1277 C PHE A 90 -8.175 -0.830 10.611 1.00 0.00 C ATOM 1278 O PHE A 90 -8.656 -0.557 9.511 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.716 -1.250 10.437 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.583 -0.770 9.021 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -6.154 0.429 8.624 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -4.886 -1.518 8.084 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -6.032 0.873 7.321 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -4.762 -1.079 6.780 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.335 0.118 6.398 1.00 0.00 C ATOM 0 H PHE A 90 -7.885 -2.785 9.036 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.074 -2.247 11.771 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.551 -0.411 11.113 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.933 -1.981 10.639 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.701 1.023 9.341 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.435 -2.455 8.377 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.481 1.809 7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.217 -1.672 6.060 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.238 0.463 5.379 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.570 -0.245 11.737 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.613 0.773 11.745 1.00 0.00 C ATOM 1297 C GLN A 91 -9.069 2.114 11.263 1.00 0.00 C ATOM 1298 O GLN A 91 -8.205 2.712 11.905 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.199 0.923 13.151 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.701 1.161 13.162 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.068 2.578 12.770 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.279 3.437 13.626 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.147 2.831 11.469 1.00 0.00 N ATOM 0 H GLN A 91 -8.183 -0.459 12.656 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.401 0.454 11.063 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.978 0.024 13.726 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.704 1.753 13.655 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.181 0.462 12.477 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.091 0.950 14.158 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.964 2.089 10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.391 3.767 11.145 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.581 2.581 10.129 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.147 3.851 9.560 1.00 0.00 C ATOM 1314 C CYS A 92 -10.239 4.455 8.682 1.00 0.00 C ATOM 1315 O CYS A 92 -11.313 3.874 8.524 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.868 3.659 8.743 1.00 0.00 C ATOM 1317 SG CYS A 92 -6.346 3.858 9.698 1.00 0.00 S ATOM 0 H CYS A 92 -10.297 2.099 9.586 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.944 4.538 10.382 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.879 2.663 8.300 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.864 4.374 7.920 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.549 3.472 10.923 1.00 0.00 H new ATOM 1323 N GLN A 93 -9.956 5.622 8.112 1.00 0.00 N ATOM 1324 CA GLN A 93 -10.916 6.302 7.251 1.00 0.00 C ATOM 1325 C GLN A 93 -10.776 5.830 5.803 1.00 0.00 C ATOM 1326 O GLN A 93 -9.668 5.588 5.327 1.00 0.00 O ATOM 1327 CB GLN A 93 -10.717 7.819 7.330 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.948 8.566 7.818 1.00 0.00 C ATOM 1329 CD GLN A 93 -12.666 9.298 6.701 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -12.449 9.020 5.521 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -13.528 10.239 7.068 1.00 0.00 N ATOM 0 H GLN A 93 -9.071 6.115 8.231 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.920 6.057 7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.883 8.034 7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.441 8.193 6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.635 7.861 8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.654 9.281 8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.677 10.436 8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.041 10.764 6.360 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.903 5.692 5.080 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.892 5.246 3.682 1.00 0.00 C ATOM 1342 C PRO A 94 -11.018 6.130 2.799 1.00 0.00 C ATOM 1343 O PRO A 94 -10.703 7.265 3.158 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.360 5.354 3.255 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.135 5.303 4.526 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.270 5.957 5.564 1.00 0.00 C ATOM 0 HA PRO A 94 -11.479 4.242 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.547 6.283 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.639 4.537 2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.086 5.826 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.365 4.274 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.470 7.026 5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.436 5.531 6.553 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.634 5.603 1.640 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.798 6.345 0.702 1.00 0.00 C ATOM 1356 C LYS A 95 -8.442 6.675 1.317 1.00 0.00 C ATOM 1357 O LYS A 95 -7.886 7.748 1.083 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.507 7.631 0.266 1.00 0.00 C ATOM 1359 CG LYS A 95 -10.724 7.725 -1.237 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.202 7.788 -1.588 1.00 0.00 C ATOM 1361 CE LYS A 95 -12.413 8.115 -3.057 1.00 0.00 C ATOM 1362 NZ LYS A 95 -11.845 9.444 -3.417 1.00 0.00 N ATOM 0 H LYS A 95 -10.888 4.666 1.328 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.630 5.716 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.472 7.693 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.921 8.489 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.220 8.611 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.270 6.862 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.673 6.833 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.691 8.543 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.949 7.343 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.479 8.103 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.284 9.783 -4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.035 10.122 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.818 9.357 -3.554 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.910 5.744 2.105 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.617 5.937 2.750 1.00 0.00 C ATOM 1378 C TYR A 96 -5.874 4.613 2.886 1.00 0.00 C ATOM 1379 O TYR A 96 -4.716 4.495 2.485 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.800 6.577 4.128 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.134 8.051 4.072 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.178 8.985 3.694 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.405 8.508 4.399 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.479 10.333 3.642 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.713 9.854 4.349 1.00 0.00 C ATOM 1386 CZ TYR A 96 -7.747 10.762 3.971 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.051 12.103 3.921 1.00 0.00 O ATOM 0 H TYR A 96 -8.355 4.850 2.311 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.023 6.603 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.594 6.053 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.886 6.442 4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.183 8.653 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.164 7.800 4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.725 11.047 3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.706 10.193 4.605 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.986 12.236 4.181 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.546 3.618 3.457 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.932 2.316 3.635 1.00 0.00 C ATOM 1399 C GLY A 97 -5.679 1.607 2.319 1.00 0.00 C ATOM 1400 O GLY A 97 -6.613 1.323 1.570 1.00 0.00 O ATOM 0 H GLY A 97 -7.504 3.691 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.988 2.433 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.576 1.697 4.259 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.411 1.321 2.040 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.036 0.641 0.805 1.00 0.00 C ATOM 1406 C LEU A 98 -3.119 -0.544 1.094 1.00 0.00 C ATOM 1407 O LEU A 98 -2.394 -0.551 2.089 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.345 1.616 -0.149 1.00 0.00 C ATOM 1409 CG LEU A 98 -3.067 1.064 -1.548 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.369 0.770 -2.276 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -2.217 2.041 -2.347 1.00 0.00 C ATOM 0 H LEU A 98 -3.627 1.549 2.651 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.945 0.267 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.964 2.508 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.400 1.928 0.296 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.514 0.130 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.150 0.378 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.942 0.033 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.950 1.688 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.029 1.632 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.744 2.991 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.268 2.201 -1.835 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.157 -1.542 0.218 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.329 -2.732 0.379 1.00 0.00 C ATOM 1425 C PHE A 99 -1.418 -2.930 -0.828 1.00 0.00 C ATOM 1426 O PHE A 99 -1.767 -2.561 -1.949 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.209 -3.968 0.575 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.690 -4.145 1.987 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -4.784 -3.434 2.454 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.049 -5.021 2.847 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.229 -3.594 3.752 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -3.489 -5.185 4.147 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.581 -4.470 4.600 1.00 0.00 C ATOM 0 H PHE A 99 -3.752 -1.551 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.706 -2.593 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.071 -3.899 -0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.648 -4.854 0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.295 -2.747 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.195 -5.583 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.083 -3.034 4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.980 -5.871 4.808 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.927 -4.596 5.615 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.248 -3.514 -0.590 1.00 0.00 N ATOM 1444 CA ALA A 100 0.714 -3.761 -1.657 1.00 0.00 C ATOM 1445 C ALA A 100 1.714 -4.843 -1.256 1.00 0.00 C ATOM 1446 O ALA A 100 2.009 -5.018 -0.074 1.00 0.00 O ATOM 1447 CB ALA A 100 1.443 -2.475 -2.019 1.00 0.00 C ATOM 0 H ALA A 100 0.056 -3.825 0.333 1.00 0.00 H new ATOM 0 HA ALA A 100 0.167 -4.114 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.158 -2.674 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.722 -1.730 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.972 -2.098 -1.144 1.00 0.00 H new ATOM 1453 N PRO A 101 2.251 -5.588 -2.239 1.00 0.00 N ATOM 1454 CA PRO A 101 3.221 -6.656 -1.981 1.00 0.00 C ATOM 1455 C PRO A 101 4.467 -6.140 -1.270 1.00 0.00 C ATOM 1456 O PRO A 101 5.021 -5.105 -1.641 1.00 0.00 O ATOM 1457 CB PRO A 101 3.580 -7.173 -3.377 1.00 0.00 C ATOM 1458 CG PRO A 101 2.464 -6.732 -4.258 1.00 0.00 C ATOM 1459 CD PRO A 101 1.956 -5.447 -3.675 1.00 0.00 C ATOM 0 HA PRO A 101 2.810 -7.425 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.533 -6.765 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.679 -8.258 -3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.810 -6.586 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.675 -7.483 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.460 -4.582 -4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.889 -5.317 -3.856 1.00 0.00 H new ATOM 1467 N VAL A 102 4.903 -6.867 -0.246 1.00 0.00 N ATOM 1468 CA VAL A 102 6.085 -6.480 0.518 1.00 0.00 C ATOM 1469 C VAL A 102 7.288 -6.254 -0.395 1.00 0.00 C ATOM 1470 O VAL A 102 7.953 -5.222 -0.312 1.00 0.00 O ATOM 1471 CB VAL A 102 6.447 -7.541 1.576 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.435 -7.528 2.712 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.536 -8.924 0.948 1.00 0.00 C ATOM 0 H VAL A 102 4.456 -7.726 0.074 1.00 0.00 H new ATOM 0 HA VAL A 102 5.838 -5.546 1.022 1.00 0.00 H new ATOM 0 HB VAL A 102 7.426 -7.294 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.706 -8.283 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.430 -6.545 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.443 -7.746 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.793 -9.656 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.575 -9.185 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.304 -8.924 0.175 1.00 0.00 H new ATOM 1483 N HIS A 103 7.559 -7.221 -1.267 1.00 0.00 N ATOM 1484 CA HIS A 103 8.682 -7.120 -2.195 1.00 0.00 C ATOM 1485 C HIS A 103 8.597 -5.840 -3.022 1.00 0.00 C ATOM 1486 O HIS A 103 9.613 -5.311 -3.471 1.00 0.00 O ATOM 1487 CB HIS A 103 8.720 -8.339 -3.120 1.00 0.00 C ATOM 1488 CG HIS A 103 7.417 -8.615 -3.803 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.012 -7.996 -4.965 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.418 -9.471 -3.468 1.00 0.00 C ATOM 1491 CE1 HIS A 103 5.807 -8.482 -5.292 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.403 -9.382 -4.416 1.00 0.00 N ATOM 0 H HIS A 103 7.018 -8.082 -1.351 1.00 0.00 H new ATOM 0 HA HIS A 103 9.600 -7.089 -1.609 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.491 -8.187 -3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.009 -9.215 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.412 -10.118 -2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.240 -8.177 -6.159 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.527 -9.905 -4.431 1.00 0.00 H new ATOM 1500 N LYS A 104 7.379 -5.345 -3.216 1.00 0.00 N ATOM 1501 CA LYS A 104 7.165 -4.124 -3.985 1.00 0.00 C ATOM 1502 C LYS A 104 7.274 -2.893 -3.089 1.00 0.00 C ATOM 1503 O LYS A 104 7.612 -1.804 -3.555 1.00 0.00 O ATOM 1504 CB LYS A 104 5.795 -4.158 -4.666 1.00 0.00 C ATOM 1505 CG LYS A 104 5.871 -4.350 -6.172 1.00 0.00 C ATOM 1506 CD LYS A 104 5.324 -5.704 -6.593 1.00 0.00 C ATOM 1507 CE LYS A 104 4.640 -5.631 -7.949 1.00 0.00 C ATOM 1508 NZ LYS A 104 3.214 -5.220 -7.832 1.00 0.00 N ATOM 0 H LYS A 104 6.526 -5.770 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 104 7.939 -4.064 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.203 -4.965 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.269 -3.228 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.308 -3.560 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.907 -4.258 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.136 -6.430 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.615 -6.060 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.171 -4.923 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.698 -6.604 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.822 -5.051 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.673 -5.974 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.149 -4.347 -7.270 1.00 0.00 H new ATOM 1522 N VAL A 105 6.987 -3.072 -1.803 1.00 0.00 N ATOM 1523 CA VAL A 105 7.055 -1.975 -0.847 1.00 0.00 C ATOM 1524 C VAL A 105 8.493 -1.711 -0.414 1.00 0.00 C ATOM 1525 O VAL A 105 9.263 -2.644 -0.184 1.00 0.00 O ATOM 1526 CB VAL A 105 6.199 -2.263 0.402 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.125 -1.033 1.294 1.00 0.00 C ATOM 1528 CG2 VAL A 105 4.806 -2.728 0.002 1.00 0.00 C ATOM 0 H VAL A 105 6.706 -3.966 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 105 6.662 -1.092 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 105 6.674 -3.065 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.517 -1.255 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.129 -0.753 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.676 -0.209 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.217 -2.926 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.319 -1.952 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.883 -3.640 -0.591 1.00 0.00 H new ATOM 1538 N THR A 106 8.849 -0.436 -0.306 1.00 0.00 N ATOM 1539 CA THR A 106 10.196 -0.050 0.099 1.00 0.00 C ATOM 1540 C THR A 106 10.180 0.629 1.465 1.00 0.00 C ATOM 1541 O THR A 106 9.124 1.013 1.967 1.00 0.00 O ATOM 1542 CB THR A 106 10.815 0.886 -0.941 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.375 0.549 -2.244 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.327 0.859 -0.945 1.00 0.00 C ATOM 0 H THR A 106 8.224 0.348 -0.493 1.00 0.00 H new ATOM 0 HA THR A 106 10.800 -0.954 0.170 1.00 0.00 H new ATOM 0 HB THR A 106 10.487 1.887 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.780 1.160 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.701 1.545 -1.705 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.699 1.164 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.672 -0.151 -1.166 1.00 0.00 H new ATOM 1552 N LYS A 107 11.359 0.774 2.061 1.00 0.00 N ATOM 1553 CA LYS A 107 11.483 1.405 3.369 1.00 0.00 C ATOM 1554 C LYS A 107 12.013 2.830 3.237 1.00 0.00 C ATOM 1555 O LYS A 107 12.866 3.109 2.393 1.00 0.00 O ATOM 1556 CB LYS A 107 12.408 0.586 4.270 1.00 0.00 C ATOM 1557 CG LYS A 107 12.108 0.740 5.751 1.00 0.00 C ATOM 1558 CD LYS A 107 13.107 1.663 6.431 1.00 0.00 C ATOM 1559 CE LYS A 107 13.140 1.438 7.935 1.00 0.00 C ATOM 1560 NZ LYS A 107 11.967 2.054 8.614 1.00 0.00 N ATOM 0 H LYS A 107 12.243 0.463 1.658 1.00 0.00 H new ATOM 0 HA LYS A 107 10.492 1.445 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.327 -0.467 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.440 0.884 4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.100 1.135 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.130 -0.238 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.100 1.495 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.845 2.700 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.159 0.368 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.059 1.858 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.027 1.878 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.963 3.079 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.091 1.635 8.241 1.00 0.00 H new ATOM 1574 N ILE A 108 11.504 3.727 4.075 1.00 0.00 N ATOM 1575 CA ILE A 108 11.928 5.122 4.049 1.00 0.00 C ATOM 1576 C ILE A 108 11.781 5.767 5.424 1.00 0.00 C ATOM 1577 O ILE A 108 10.699 5.764 6.009 1.00 0.00 O ATOM 1578 CB ILE A 108 11.116 5.938 3.024 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.615 5.717 3.232 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.524 5.562 1.607 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.828 7.002 3.361 1.00 0.00 C ATOM 0 H ILE A 108 10.798 3.513 4.780 1.00 0.00 H new ATOM 0 HA ILE A 108 12.978 5.127 3.757 1.00 0.00 H new ATOM 0 HB ILE A 108 11.329 6.996 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.221 5.142 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.465 5.117 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.942 6.146 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.585 5.770 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.337 4.500 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.773 6.770 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.195 7.569 4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.948 7.594 2.454 1.00 0.00 H new