USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 587 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 94:sc= 0.48 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ -120:sc= 0.607 (180deg=-0.0997) USER MOD Single : B 43 TYR OH : rot 91:sc= 0.0196 USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0475) USER MOD Single : C 65 TYR OH : rot 101:sc= 0.124 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 87 TYR OH : rot 86:sc= 0.546 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 3 0.278 14.306 -0.403 1.00 0.00 N ATOM 18 CA LYS A 3 0.514 14.370 -1.826 1.00 0.00 C ATOM 19 C LYS A 3 1.380 13.245 -2.357 1.00 0.00 C ATOM 20 O LYS A 3 1.368 12.987 -3.551 1.00 0.00 O ATOM 21 CB LYS A 3 1.206 15.657 -2.225 1.00 0.00 C ATOM 22 CG LYS A 3 0.394 16.853 -2.035 1.00 0.00 C ATOM 23 CD LYS A 3 1.062 18.184 -2.281 1.00 0.00 C ATOM 24 CE LYS A 3 1.430 18.387 -3.629 1.00 0.00 C ATOM 25 NZ LYS A 3 2.010 19.670 -3.902 1.00 0.00 N ATOM 0 HA LYS A 3 -0.485 14.297 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.124 15.758 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.496 15.591 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.472 16.782 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.018 16.847 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.388 18.983 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.951 18.257 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.140 17.613 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.547 18.261 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.250 19.735 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.329 20.418 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.872 19.789 -3.333 1.00 0.00 H new ATOM 39 N ALA A 4 2.041 12.472 -1.501 1.00 0.00 N ATOM 40 CA ALA A 4 2.628 11.190 -1.804 1.00 0.00 C ATOM 41 C ALA A 4 1.653 10.204 -2.415 1.00 0.00 C ATOM 42 O ALA A 4 2.064 9.156 -2.876 1.00 0.00 O ATOM 43 CB ALA A 4 3.229 10.668 -0.514 1.00 0.00 C ATOM 0 H ALA A 4 2.184 12.746 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 4 3.391 11.314 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.687 9.695 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.987 11.366 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.446 10.567 0.237 1.00 0.00 H new ATOM 49 N ALA A 5 0.357 10.500 -2.414 1.00 0.00 N ATOM 50 CA ALA A 5 -0.736 9.613 -2.742 1.00 0.00 C ATOM 51 C ALA A 5 -0.722 9.125 -4.179 1.00 0.00 C ATOM 52 O ALA A 5 -0.292 8.015 -4.433 1.00 0.00 O ATOM 53 CB ALA A 5 -2.042 10.234 -2.283 1.00 0.00 C ATOM 0 H ALA A 5 0.028 11.433 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.610 8.683 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.868 9.567 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.011 10.391 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.186 11.191 -2.785 1.00 0.00 H new ATOM 59 N ALA A 6 -1.216 9.955 -5.089 1.00 0.00 N ATOM 60 CA ALA A 6 -1.490 9.593 -6.455 1.00 0.00 C ATOM 61 C ALA A 6 -0.279 9.323 -7.316 1.00 0.00 C ATOM 62 O ALA A 6 -0.442 8.969 -8.469 1.00 0.00 O ATOM 63 CB ALA A 6 -2.388 10.646 -7.058 1.00 0.00 C ATOM 0 H ALA A 6 -1.441 10.928 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.990 8.625 -6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.606 10.388 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.319 10.697 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.888 11.614 -7.023 1.00 0.00 H new ATOM 69 N ALA A 7 0.924 9.377 -6.762 1.00 0.00 N ATOM 70 CA ALA A 7 2.111 8.784 -7.325 1.00 0.00 C ATOM 71 C ALA A 7 2.322 7.352 -6.882 1.00 0.00 C ATOM 72 O ALA A 7 2.543 6.498 -7.703 1.00 0.00 O ATOM 73 CB ALA A 7 3.307 9.643 -6.972 1.00 0.00 C ATOM 0 H ALA A 7 1.098 9.854 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 7 1.986 8.745 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.210 9.201 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.168 10.645 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.405 9.702 -5.888 1.00 0.00 H new ATOM 79 N ALA A 8 2.282 7.075 -5.598 1.00 0.00 N ATOM 80 CA ALA A 8 2.555 5.775 -5.033 1.00 0.00 C ATOM 81 C ALA A 8 1.509 4.737 -5.375 1.00 0.00 C ATOM 82 O ALA A 8 1.798 3.790 -6.091 1.00 0.00 O ATOM 83 CB ALA A 8 2.659 5.901 -3.528 1.00 0.00 C ATOM 0 H ALA A 8 2.050 7.775 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 8 3.493 5.431 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.865 4.922 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.467 6.587 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.720 6.284 -3.129 1.00 0.00 H new ATOM 89 N ILE A 9 0.281 4.906 -4.886 1.00 0.00 N ATOM 90 CA ILE A 9 -0.737 3.881 -4.934 1.00 0.00 C ATOM 91 C ILE A 9 -1.137 3.524 -6.353 1.00 0.00 C ATOM 92 O ILE A 9 -1.630 2.443 -6.617 1.00 0.00 O ATOM 93 CB ILE A 9 -1.910 4.201 -4.022 1.00 0.00 C ATOM 94 CG1 ILE A 9 -3.112 4.817 -4.720 1.00 0.00 C ATOM 95 CG2 ILE A 9 -1.568 5.047 -2.807 1.00 0.00 C ATOM 96 CD1 ILE A 9 -2.822 6.149 -5.395 1.00 0.00 C ATOM 0 H ILE A 9 -0.029 5.771 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.296 2.969 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.184 3.204 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.483 4.116 -5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.910 4.957 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.469 5.221 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.832 4.525 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.157 6.003 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.730 6.522 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.481 6.868 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.048 6.013 -6.150 1.00 0.00 H new ATOM 108 N LYS A 10 -0.928 4.466 -7.261 1.00 0.00 N ATOM 109 CA LYS A 10 -1.399 4.508 -8.626 1.00 0.00 C ATOM 110 C LYS A 10 -0.572 3.563 -9.481 1.00 0.00 C ATOM 111 O LYS A 10 -1.110 2.739 -10.202 1.00 0.00 O ATOM 112 CB LYS A 10 -1.304 5.966 -9.050 1.00 0.00 C ATOM 113 CG LYS A 10 -2.520 6.478 -9.785 1.00 0.00 C ATOM 114 CD LYS A 10 -2.684 5.852 -11.135 1.00 0.00 C ATOM 115 CE LYS A 10 -3.793 6.500 -11.925 1.00 0.00 C ATOM 116 NZ LYS A 10 -4.240 5.686 -12.922 1.00 0.00 N ATOM 0 H LYS A 10 -0.374 5.292 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.429 4.169 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.143 6.580 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.429 6.091 -9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.410 6.282 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.443 7.559 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.749 5.933 -11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.894 4.789 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.619 6.747 -11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.437 7.437 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.002 6.163 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.457 5.471 -13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.603 4.802 -12.512 1.00 0.00 H new ATOM 130 N ALA A 11 0.745 3.582 -9.324 1.00 0.00 N ATOM 131 CA ALA A 11 1.632 2.529 -9.761 1.00 0.00 C ATOM 132 C ALA A 11 1.344 1.205 -9.079 1.00 0.00 C ATOM 133 O ALA A 11 1.216 0.180 -9.729 1.00 0.00 O ATOM 134 CB ALA A 11 3.057 2.974 -9.525 1.00 0.00 C ATOM 0 H ALA A 11 1.233 4.357 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 11 1.469 2.353 -10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.741 2.190 -9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.253 3.884 -10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.206 3.169 -8.463 1.00 0.00 H new ATOM 140 N ILE A 12 1.224 1.204 -7.758 1.00 0.00 N ATOM 141 CA ILE A 12 1.116 0.017 -6.940 1.00 0.00 C ATOM 142 C ILE A 12 -0.164 -0.726 -7.277 1.00 0.00 C ATOM 143 O ILE A 12 -0.089 -1.938 -7.387 1.00 0.00 O ATOM 144 CB ILE A 12 1.311 0.312 -5.462 1.00 0.00 C ATOM 145 CG1 ILE A 12 2.716 0.778 -5.149 1.00 0.00 C ATOM 146 CG2 ILE A 12 0.926 -0.825 -4.552 1.00 0.00 C ATOM 147 CD1 ILE A 12 3.809 -0.245 -5.276 1.00 0.00 C ATOM 0 H ILE A 12 1.199 2.065 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 12 1.938 -0.658 -7.177 1.00 0.00 H new ATOM 0 HB ILE A 12 0.618 1.128 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.953 1.613 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.728 1.164 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.095 -0.534 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.128 -1.064 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.532 -1.700 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.766 0.212 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.613 -1.073 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.842 -0.617 -6.300 1.00 0.00 H new ATOM 159 N ALA A 13 -1.277 -0.077 -7.601 1.00 0.00 N ATOM 160 CA ALA A 13 -2.478 -0.786 -7.968 1.00 0.00 C ATOM 161 C ALA A 13 -2.430 -1.555 -9.271 1.00 0.00 C ATOM 162 O ALA A 13 -3.172 -2.496 -9.478 1.00 0.00 O ATOM 163 CB ALA A 13 -3.637 0.187 -7.951 1.00 0.00 C ATOM 0 H ALA A 13 -1.364 0.939 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.602 -1.571 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.554 -0.334 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.745 0.607 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.448 0.990 -8.663 1.00 0.00 H new ATOM 169 N ALA A 14 -1.497 -1.190 -10.143 1.00 0.00 N ATOM 170 CA ALA A 14 -1.191 -1.904 -11.361 1.00 0.00 C ATOM 171 C ALA A 14 -0.172 -3.005 -11.166 1.00 0.00 C ATOM 172 O ALA A 14 -0.365 -4.123 -11.592 1.00 0.00 O ATOM 173 CB ALA A 14 -0.798 -0.909 -12.439 1.00 0.00 C ATOM 0 H ALA A 14 -0.918 -0.361 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.089 -2.429 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.566 -1.443 -13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.624 -0.220 -12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.078 -0.348 -12.114 1.00 0.00 H new ATOM 179 N ILE A 15 0.869 -2.731 -10.382 1.00 0.00 N ATOM 180 CA ILE A 15 1.894 -3.615 -9.875 1.00 0.00 C ATOM 181 C ILE A 15 1.241 -4.727 -9.071 1.00 0.00 C ATOM 182 O ILE A 15 1.719 -5.851 -9.129 1.00 0.00 O ATOM 183 CB ILE A 15 2.931 -2.840 -9.077 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.765 -1.923 -9.946 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.828 -3.693 -8.199 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.503 -0.818 -9.210 1.00 0.00 C ATOM 0 H ILE A 15 1.023 -1.777 -10.056 1.00 0.00 H new ATOM 0 HA ILE A 15 2.433 -4.074 -10.704 1.00 0.00 H new ATOM 0 HB ILE A 15 2.331 -2.233 -8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.495 -2.527 -10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.114 -1.467 -10.692 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.534 -3.053 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.219 -4.237 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.376 -4.402 -8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.069 -0.220 -9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.784 -0.182 -8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.186 -1.258 -8.483 1.00 0.00 H new ATOM 198 N ILE A 16 0.137 -4.483 -8.369 1.00 0.00 N ATOM 199 CA ILE A 16 -0.685 -5.475 -7.721 1.00 0.00 C ATOM 200 C ILE A 16 -1.251 -6.471 -8.715 1.00 0.00 C ATOM 201 O ILE A 16 -1.001 -7.661 -8.588 1.00 0.00 O ATOM 202 CB ILE A 16 -1.758 -4.828 -6.860 1.00 0.00 C ATOM 203 CG1 ILE A 16 -1.040 -4.391 -5.595 1.00 0.00 C ATOM 204 CG2 ILE A 16 -2.907 -5.753 -6.512 1.00 0.00 C ATOM 205 CD1 ILE A 16 -1.859 -3.778 -4.492 1.00 0.00 C ATOM 0 H ILE A 16 -0.218 -3.536 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.048 -6.047 -7.047 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.220 -4.005 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.527 -5.261 -5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.272 -3.672 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.631 -5.219 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.390 -6.093 -7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.527 -6.613 -5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.208 -3.518 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.352 -2.879 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.611 -4.492 -4.157 1.00 0.00 H new ATOM 217 N LYS A 17 -2.001 -5.978 -9.694 1.00 0.00 N ATOM 218 CA LYS A 17 -2.587 -6.788 -10.737 1.00 0.00 C ATOM 219 C LYS A 17 -1.560 -7.601 -11.499 1.00 0.00 C ATOM 220 O LYS A 17 -1.765 -8.783 -11.709 1.00 0.00 O ATOM 221 CB LYS A 17 -3.380 -5.889 -11.663 1.00 0.00 C ATOM 222 CG LYS A 17 -4.421 -6.674 -12.419 1.00 0.00 C ATOM 223 CD LYS A 17 -5.311 -5.789 -13.231 1.00 0.00 C ATOM 224 CE LYS A 17 -4.654 -5.301 -14.473 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.534 -4.526 -15.287 1.00 0.00 N ATOM 0 H LYS A 17 -2.218 -4.985 -9.780 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.249 -7.519 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.863 -5.101 -11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.706 -5.401 -12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.928 -7.392 -13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.024 -7.247 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.217 -6.334 -13.494 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.617 -4.935 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.784 -4.699 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.289 -6.153 -15.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.030 -4.209 -16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.352 -5.106 -15.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.863 -3.697 -14.751 1.00 0.00 H new ATOM 239 N ALA A 18 -0.391 -7.041 -11.796 1.00 0.00 N ATOM 240 CA ALA A 18 0.723 -7.701 -12.431 1.00 0.00 C ATOM 241 C ALA A 18 1.490 -8.643 -11.526 1.00 0.00 C ATOM 242 O ALA A 18 2.047 -9.613 -11.967 1.00 0.00 O ATOM 243 CB ALA A 18 1.662 -6.669 -13.016 1.00 0.00 C ATOM 0 H ALA A 18 -0.195 -6.063 -11.585 1.00 0.00 H new ATOM 0 HA ALA A 18 0.296 -8.325 -13.216 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.502 -7.172 -13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.129 -6.069 -13.754 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.032 -6.021 -12.221 1.00 0.00 H new ATOM 249 N GLY A 19 1.503 -8.372 -10.238 1.00 0.00 N ATOM 250 CA GLY A 19 2.128 -9.151 -9.200 1.00 0.00 C ATOM 251 C GLY A 19 1.369 -10.419 -8.882 1.00 0.00 C ATOM 252 O GLY A 19 1.960 -11.339 -8.382 1.00 0.00 O ATOM 0 H GLY A 19 1.043 -7.541 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.143 -9.407 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.210 -8.546 -8.297 1.00 0.00 H new ATOM 256 N GLY A 20 0.088 -10.484 -9.190 1.00 0.00 N ATOM 257 CA GLY A 20 -0.756 -11.602 -8.892 1.00 0.00 C ATOM 258 C GLY A 20 -1.038 -11.809 -7.420 1.00 0.00 C ATOM 259 O GLY A 20 -1.203 -12.933 -6.976 1.00 0.00 O ATOM 0 H GLY A 20 -0.401 -9.729 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.704 -11.473 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.293 -12.505 -9.289 1.00 0.00 H new ATOM 263 N TYR A 21 -1.043 -10.753 -6.623 1.00 0.00 N ATOM 264 CA TYR A 21 -1.106 -10.773 -5.192 1.00 0.00 C ATOM 265 C TYR A 21 -2.215 -11.588 -4.573 1.00 0.00 C ATOM 266 O TYR A 21 -2.037 -12.154 -3.556 1.00 0.00 O ATOM 267 CB TYR A 21 -1.238 -9.339 -4.714 1.00 0.00 C ATOM 268 CG TYR A 21 0.032 -8.699 -4.219 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.630 -8.994 -2.999 1.00 0.00 C ATOM 270 CD2 TYR A 21 0.518 -7.656 -4.996 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.665 -8.187 -2.531 1.00 0.00 C ATOM 272 CE2 TYR A 21 1.545 -6.836 -4.531 1.00 0.00 C ATOM 273 CZ TYR A 21 2.119 -7.098 -3.284 1.00 0.00 C ATOM 274 OH TYR A 21 3.135 -6.301 -2.861 1.00 0.00 O ATOM 0 H TYR A 21 -1.000 -9.804 -6.994 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.189 -11.267 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.632 -8.737 -5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.976 -9.309 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.295 -9.841 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.095 -7.478 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.122 -8.404 -1.577 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.894 -6.007 -5.128 1.00 0.00 H new ATOM 0 HH TYR A 21 3.981 -6.622 -3.237 1.00 0.00 H new ATOM 294 N ALA B 24 1.682 -14.718 -3.442 1.00 0.00 N ATOM 295 CA ALA B 24 1.908 -13.440 -2.842 1.00 0.00 C ATOM 296 C ALA B 24 3.337 -12.941 -2.806 1.00 0.00 C ATOM 297 O ALA B 24 3.647 -12.038 -2.065 1.00 0.00 O ATOM 298 CB ALA B 24 1.207 -13.409 -1.522 1.00 0.00 C ATOM 0 HA ALA B 24 1.474 -12.695 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.367 -12.441 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA B 24 0.139 -13.566 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA B 24 1.603 -14.197 -0.881 1.00 0.00 H new ATOM 304 N LYS B 25 4.215 -13.519 -3.606 1.00 0.00 N ATOM 305 CA LYS B 25 5.611 -13.170 -3.697 1.00 0.00 C ATOM 306 C LYS B 25 5.887 -11.810 -4.286 1.00 0.00 C ATOM 307 O LYS B 25 6.960 -11.286 -4.123 1.00 0.00 O ATOM 308 CB LYS B 25 6.315 -14.193 -4.560 1.00 0.00 C ATOM 309 CG LYS B 25 6.305 -15.591 -3.998 1.00 0.00 C ATOM 310 CD LYS B 25 7.032 -16.637 -4.770 1.00 0.00 C ATOM 311 CE LYS B 25 6.428 -16.894 -6.029 1.00 0.00 C ATOM 312 NZ LYS B 25 6.976 -17.988 -6.629 1.00 0.00 N ATOM 0 H LYS B 25 3.957 -14.278 -4.236 1.00 0.00 H new ATOM 0 HA LYS B 25 5.976 -13.151 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS B 25 5.845 -14.206 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.349 -13.879 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.729 -15.555 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.267 -15.907 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS B 25 8.064 -16.322 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.063 -17.559 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS B 25 5.357 -17.048 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS B 25 6.547 -16.025 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 6.513 -18.149 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 7.993 -17.830 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 6.840 -18.821 -6.022 1.00 0.00 H new ATOM 326 N ALA B 26 4.880 -11.165 -4.860 1.00 0.00 N ATOM 327 CA ALA B 26 4.812 -9.761 -5.179 1.00 0.00 C ATOM 328 C ALA B 26 5.058 -8.830 -4.006 1.00 0.00 C ATOM 329 O ALA B 26 5.146 -7.621 -4.172 1.00 0.00 O ATOM 330 CB ALA B 26 3.469 -9.492 -5.828 1.00 0.00 C ATOM 0 H ALA B 26 4.028 -11.656 -5.132 1.00 0.00 H new ATOM 0 HA ALA B 26 5.631 -9.539 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA B 26 3.392 -8.434 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA B 26 3.377 -10.089 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.670 -9.759 -5.136 1.00 0.00 H new ATOM 336 N ALA B 27 5.149 -9.370 -2.794 1.00 0.00 N ATOM 337 CA ALA B 27 5.169 -8.612 -1.572 1.00 0.00 C ATOM 338 C ALA B 27 6.406 -7.742 -1.444 1.00 0.00 C ATOM 339 O ALA B 27 6.344 -6.554 -1.741 1.00 0.00 O ATOM 340 CB ALA B 27 4.961 -9.628 -0.467 1.00 0.00 C ATOM 0 H ALA B 27 5.212 -10.377 -2.644 1.00 0.00 H new ATOM 0 HA ALA B 27 4.376 -7.866 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA B 27 4.965 -9.122 0.498 1.00 0.00 H new ATOM 0 HB2 ALA B 27 4.004 -10.130 -0.610 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.765 -10.364 -0.494 1.00 0.00 H new ATOM 346 N ALA B 28 7.536 -8.305 -1.026 1.00 0.00 N ATOM 347 CA ALA B 28 8.729 -7.550 -0.718 1.00 0.00 C ATOM 348 C ALA B 28 9.459 -6.995 -1.922 1.00 0.00 C ATOM 349 O ALA B 28 10.551 -6.468 -1.783 1.00 0.00 O ATOM 350 CB ALA B 28 9.623 -8.345 0.209 1.00 0.00 C ATOM 0 H ALA B 28 7.642 -9.311 -0.893 1.00 0.00 H new ATOM 0 HA ALA B 28 8.402 -6.651 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.519 -7.767 0.435 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.088 -8.561 1.134 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.907 -9.281 -0.273 1.00 0.00 H new ATOM 356 N ALA B 29 8.869 -6.970 -3.109 1.00 0.00 N ATOM 357 CA ALA B 29 9.165 -6.048 -4.174 1.00 0.00 C ATOM 358 C ALA B 29 8.384 -4.758 -4.053 1.00 0.00 C ATOM 359 O ALA B 29 8.986 -3.716 -3.886 1.00 0.00 O ATOM 360 CB ALA B 29 8.905 -6.705 -5.505 1.00 0.00 C ATOM 0 H ALA B 29 8.133 -7.631 -3.359 1.00 0.00 H new ATOM 0 HA ALA B 29 10.220 -5.784 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA B 29 9.131 -6.003 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.538 -7.587 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA B 29 7.858 -7.002 -5.566 1.00 0.00 H new ATOM 366 N ALA B 30 7.059 -4.816 -4.125 1.00 0.00 N ATOM 367 CA ALA B 30 6.229 -3.640 -4.248 1.00 0.00 C ATOM 368 C ALA B 30 6.062 -2.932 -2.917 1.00 0.00 C ATOM 369 O ALA B 30 6.033 -1.720 -2.829 1.00 0.00 O ATOM 370 CB ALA B 30 4.884 -4.062 -4.790 1.00 0.00 C ATOM 0 H ALA B 30 6.534 -5.690 -4.099 1.00 0.00 H new ATOM 0 HA ALA B 30 6.708 -2.935 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.241 -3.187 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.015 -4.530 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.423 -4.774 -4.105 1.00 0.00 H new ATOM 376 N ILE B 31 5.999 -3.690 -1.835 1.00 0.00 N ATOM 377 CA ILE B 31 5.961 -3.214 -0.474 1.00 0.00 C ATOM 378 C ILE B 31 7.235 -2.485 -0.093 1.00 0.00 C ATOM 379 O ILE B 31 7.176 -1.468 0.580 1.00 0.00 O ATOM 380 CB ILE B 31 5.720 -4.370 0.488 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.432 -5.138 0.225 1.00 0.00 C ATOM 382 CG2 ILE B 31 5.781 -3.935 1.930 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.192 -4.284 0.325 1.00 0.00 C ATOM 0 H ILE B 31 5.972 -4.708 -1.892 1.00 0.00 H new ATOM 0 HA ILE B 31 5.136 -2.505 -0.403 1.00 0.00 H new ATOM 0 HB ILE B 31 6.542 -5.060 0.295 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.479 -5.581 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.356 -5.960 0.937 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.603 -4.794 2.577 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.765 -3.518 2.143 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.019 -3.178 2.114 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.312 -4.896 0.126 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.121 -3.861 1.327 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.246 -3.477 -0.406 1.00 0.00 H new ATOM 395 N LYS B 32 8.389 -3.007 -0.501 1.00 0.00 N ATOM 396 CA LYS B 32 9.676 -2.399 -0.253 1.00 0.00 C ATOM 397 C LYS B 32 9.830 -1.055 -0.935 1.00 0.00 C ATOM 398 O LYS B 32 10.309 -0.122 -0.331 1.00 0.00 O ATOM 399 CB LYS B 32 10.788 -3.342 -0.681 1.00 0.00 C ATOM 400 CG LYS B 32 11.278 -4.232 0.435 1.00 0.00 C ATOM 401 CD LYS B 32 12.645 -4.808 0.209 1.00 0.00 C ATOM 402 CE LYS B 32 13.154 -5.519 1.384 1.00 0.00 C ATOM 403 NZ LYS B 32 14.372 -6.171 1.159 1.00 0.00 N ATOM 0 H LYS B 32 8.447 -3.882 -1.023 1.00 0.00 H new ATOM 0 HA LYS B 32 9.744 -2.216 0.819 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.432 -3.964 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.624 -2.757 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS B 32 11.286 -3.660 1.363 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.570 -5.049 0.570 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.612 -5.491 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.335 -4.006 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.277 -4.810 2.203 1.00 0.00 H new ATOM 0 HE3 LYS B 32 12.413 -6.251 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.674 -6.653 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.256 -6.871 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.093 -5.474 0.881 1.00 0.00 H new ATOM 417 N ALA B 33 9.309 -0.922 -2.149 1.00 0.00 N ATOM 418 CA ALA B 33 9.097 0.372 -2.753 1.00 0.00 C ATOM 419 C ALA B 33 8.168 1.235 -1.920 1.00 0.00 C ATOM 420 O ALA B 33 8.568 2.331 -1.556 1.00 0.00 O ATOM 421 CB ALA B 33 8.609 0.158 -4.175 1.00 0.00 C ATOM 0 H ALA B 33 9.025 -1.708 -2.733 1.00 0.00 H new ATOM 0 HA ALA B 33 10.033 0.929 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA B 33 8.442 1.124 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA B 33 9.359 -0.399 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA B 33 7.676 -0.405 -4.159 1.00 0.00 H new ATOM 427 N ILE B 34 6.978 0.768 -1.545 1.00 0.00 N ATOM 428 CA ILE B 34 5.981 1.569 -0.873 1.00 0.00 C ATOM 429 C ILE B 34 6.441 2.041 0.496 1.00 0.00 C ATOM 430 O ILE B 34 6.331 3.223 0.789 1.00 0.00 O ATOM 431 CB ILE B 34 4.573 0.994 -0.891 1.00 0.00 C ATOM 432 CG1 ILE B 34 3.633 2.102 -1.332 1.00 0.00 C ATOM 433 CG2 ILE B 34 4.117 0.310 0.384 1.00 0.00 C ATOM 434 CD1 ILE B 34 2.158 1.766 -1.335 1.00 0.00 C ATOM 0 H ILE B 34 6.684 -0.195 -1.707 1.00 0.00 H new ATOM 0 HA ILE B 34 5.884 2.466 -1.485 1.00 0.00 H new ATOM 0 HB ILE B 34 4.565 0.166 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE B 34 3.787 2.962 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE B 34 3.916 2.411 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.100 -0.060 0.255 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.781 -0.525 0.607 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.142 1.023 1.208 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.588 2.634 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE B 34 1.976 0.931 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE B 34 1.845 1.491 -0.328 1.00 0.00 H new ATOM 446 N ALA B 35 7.040 1.165 1.300 1.00 0.00 N ATOM 447 CA ALA B 35 7.513 1.569 2.599 1.00 0.00 C ATOM 448 C ALA B 35 8.671 2.546 2.560 1.00 0.00 C ATOM 449 O ALA B 35 8.905 3.232 3.541 1.00 0.00 O ATOM 450 CB ALA B 35 7.887 0.329 3.390 1.00 0.00 C ATOM 0 H ALA B 35 7.203 0.185 1.069 1.00 0.00 H new ATOM 0 HA ALA B 35 6.700 2.109 3.084 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.247 0.621 4.376 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.012 -0.311 3.498 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.672 -0.215 2.864 1.00 0.00 H new ATOM 456 N ALA B 36 9.360 2.700 1.432 1.00 0.00 N ATOM 457 CA ALA B 36 10.370 3.699 1.175 1.00 0.00 C ATOM 458 C ALA B 36 9.782 4.953 0.556 1.00 0.00 C ATOM 459 O ALA B 36 10.211 6.044 0.879 1.00 0.00 O ATOM 460 CB ALA B 36 11.449 3.100 0.290 1.00 0.00 C ATOM 0 H ALA B 36 9.212 2.088 0.629 1.00 0.00 H new ATOM 0 HA ALA B 36 10.810 4.003 2.125 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.215 3.850 0.092 1.00 0.00 H new ATOM 0 HB2 ALA B 36 11.900 2.245 0.794 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.008 2.775 -0.652 1.00 0.00 H new ATOM 466 N ILE B 37 8.749 4.827 -0.271 1.00 0.00 N ATOM 467 CA ILE B 37 7.994 5.914 -0.855 1.00 0.00 C ATOM 468 C ILE B 37 7.174 6.603 0.223 1.00 0.00 C ATOM 469 O ILE B 37 7.049 7.814 0.207 1.00 0.00 O ATOM 470 CB ILE B 37 7.138 5.373 -1.990 1.00 0.00 C ATOM 471 CG1 ILE B 37 7.965 4.941 -3.186 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.064 6.325 -2.465 1.00 0.00 C ATOM 473 CD1 ILE B 37 7.299 3.961 -4.136 1.00 0.00 C ATOM 0 H ILE B 37 8.403 3.913 -0.563 1.00 0.00 H new ATOM 0 HA ILE B 37 8.661 6.666 -1.277 1.00 0.00 H new ATOM 0 HB ILE B 37 6.646 4.506 -1.549 1.00 0.00 H new ATOM 0 HG12 ILE B 37 8.244 5.831 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE B 37 8.889 4.492 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE B 37 5.500 5.862 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.391 6.555 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE B 37 6.526 7.245 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE B 37 7.982 3.724 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.045 3.048 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE B 37 6.391 4.407 -4.541 1.00 0.00 H new ATOM 485 N ILE B 38 6.709 5.889 1.243 1.00 0.00 N ATOM 486 CA ILE B 38 6.081 6.447 2.416 1.00 0.00 C ATOM 487 C ILE B 38 7.015 7.395 3.136 1.00 0.00 C ATOM 488 O ILE B 38 6.691 8.552 3.340 1.00 0.00 O ATOM 489 CB ILE B 38 5.543 5.334 3.299 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.320 4.756 2.614 1.00 0.00 C ATOM 491 CG2 ILE B 38 5.173 5.832 4.684 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.642 3.587 3.269 1.00 0.00 C ATOM 0 H ILE B 38 6.765 4.871 1.268 1.00 0.00 H new ATOM 0 HA ILE B 38 5.225 7.051 2.117 1.00 0.00 H new ATOM 0 HB ILE B 38 6.317 4.578 3.433 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.585 5.554 2.509 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.610 4.455 1.607 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.793 5.002 5.280 1.00 0.00 H new ATOM 0 HG22 ILE B 38 6.055 6.252 5.167 1.00 0.00 H new ATOM 0 HG23 ILE B 38 4.404 6.600 4.601 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.785 3.280 2.669 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.344 2.757 3.349 1.00 0.00 H new ATOM 0 HD13 ILE B 38 3.304 3.874 4.265 1.00 0.00 H new ATOM 504 N LYS B 39 8.175 6.881 3.525 1.00 0.00 N ATOM 505 CA LYS B 39 9.253 7.615 4.149 1.00 0.00 C ATOM 506 C LYS B 39 9.714 8.850 3.394 1.00 0.00 C ATOM 507 O LYS B 39 9.848 9.899 3.987 1.00 0.00 O ATOM 508 CB LYS B 39 10.399 6.650 4.400 1.00 0.00 C ATOM 509 CG LYS B 39 10.169 5.719 5.578 1.00 0.00 C ATOM 510 CD LYS B 39 11.316 4.743 5.716 1.00 0.00 C ATOM 511 CE LYS B 39 11.024 3.658 6.727 1.00 0.00 C ATOM 512 NZ LYS B 39 10.024 2.721 6.280 1.00 0.00 N ATOM 0 H LYS B 39 8.394 5.892 3.405 1.00 0.00 H new ATOM 0 HA LYS B 39 8.870 8.020 5.086 1.00 0.00 H new ATOM 0 HB2 LYS B 39 10.562 6.053 3.503 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.311 7.221 4.573 1.00 0.00 H new ATOM 0 HG2 LYS B 39 10.067 6.301 6.494 1.00 0.00 H new ATOM 0 HG3 LYS B 39 9.235 5.174 5.441 1.00 0.00 H new ATOM 0 HD2 LYS B 39 11.523 4.288 4.747 1.00 0.00 H new ATOM 0 HD3 LYS B 39 12.216 5.282 6.013 1.00 0.00 H new ATOM 0 HE2 LYS B 39 11.945 3.119 6.948 1.00 0.00 H new ATOM 0 HE3 LYS B 39 10.692 4.117 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 9.219 2.733 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 9.698 2.988 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 10.433 1.765 6.250 1.00 0.00 H new ATOM 526 N ALA B 40 9.883 8.752 2.088 1.00 0.00 N ATOM 527 CA ALA B 40 10.250 9.825 1.197 1.00 0.00 C ATOM 528 C ALA B 40 9.118 10.788 0.905 1.00 0.00 C ATOM 529 O ALA B 40 9.368 11.952 0.655 1.00 0.00 O ATOM 530 CB ALA B 40 10.754 9.208 -0.087 1.00 0.00 C ATOM 0 H ALA B 40 9.759 7.867 1.597 1.00 0.00 H new ATOM 0 HA ALA B 40 11.021 10.421 1.687 1.00 0.00 H new ATOM 0 HB1 ALA B 40 11.040 9.997 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.620 8.581 0.126 1.00 0.00 H new ATOM 0 HB3 ALA B 40 9.966 8.600 -0.532 1.00 0.00 H new ATOM 536 N GLY B 41 7.879 10.320 0.918 1.00 0.00 N ATOM 537 CA GLY B 41 6.700 11.056 0.555 1.00 0.00 C ATOM 538 C GLY B 41 6.147 11.903 1.668 1.00 0.00 C ATOM 539 O GLY B 41 5.674 12.963 1.432 1.00 0.00 O ATOM 0 H GLY B 41 7.669 9.362 1.199 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.930 11.696 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.932 10.355 0.228 1.00 0.00 H new ATOM 543 N GLY B 42 6.259 11.457 2.902 1.00 0.00 N ATOM 544 CA GLY B 42 5.817 12.089 4.094 1.00 0.00 C ATOM 545 C GLY B 42 4.363 11.957 4.468 1.00 0.00 C ATOM 546 O GLY B 42 3.816 12.881 5.017 1.00 0.00 O ATOM 0 H GLY B 42 6.705 10.560 3.096 1.00 0.00 H new ATOM 0 HA2 GLY B 42 6.411 11.697 4.920 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.046 13.152 4.013 1.00 0.00 H new ATOM 550 N TYR B 43 3.756 10.830 4.210 1.00 0.00 N ATOM 551 CA TYR B 43 2.377 10.560 4.409 1.00 0.00 C ATOM 552 C TYR B 43 1.850 10.803 5.767 1.00 0.00 C ATOM 553 O TYR B 43 0.716 11.077 5.913 1.00 0.00 O ATOM 554 CB TYR B 43 2.177 9.116 4.046 1.00 0.00 C ATOM 555 CG TYR B 43 1.847 8.812 2.616 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.707 9.265 1.953 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.704 7.910 1.993 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.379 8.738 0.705 1.00 0.00 C ATOM 559 CE2 TYR B 43 2.409 7.401 0.730 1.00 0.00 C ATOM 560 CZ TYR B 43 1.223 7.797 0.096 1.00 0.00 C ATOM 561 OH TYR B 43 0.945 7.310 -1.145 1.00 0.00 O ATOM 0 H TYR B 43 4.257 10.027 3.829 1.00 0.00 H new ATOM 0 HA TYR B 43 1.820 11.261 3.787 1.00 0.00 H new ATOM 0 HB2 TYR B 43 3.085 8.573 4.307 1.00 0.00 H new ATOM 0 HB3 TYR B 43 1.377 8.718 4.670 1.00 0.00 H new ATOM 0 HD1 TYR B 43 0.081 10.021 2.404 1.00 0.00 H new ATOM 0 HD2 TYR B 43 3.609 7.601 2.495 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.525 9.054 0.206 1.00 0.00 H new ATOM 0 HE2 TYR B 43 3.085 6.711 0.246 1.00 0.00 H new ATOM 0 HH TYR B 43 1.379 7.871 -1.821 1.00 0.00 H new ATOM 581 N ALA C 46 -6.803 12.108 -2.958 1.00 0.00 N ATOM 582 CA ALA C 46 -5.806 11.919 -1.968 1.00 0.00 C ATOM 583 C ALA C 46 -6.259 11.993 -0.541 1.00 0.00 C ATOM 584 O ALA C 46 -5.509 11.682 0.338 1.00 0.00 O ATOM 585 CB ALA C 46 -4.696 12.880 -2.269 1.00 0.00 C ATOM 0 HA ALA C 46 -5.473 10.883 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.905 12.766 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.295 12.674 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -5.079 13.900 -2.238 1.00 0.00 H new ATOM 591 N LYS C 47 -7.481 12.327 -0.236 1.00 0.00 N ATOM 592 CA LYS C 47 -8.032 12.214 1.068 1.00 0.00 C ATOM 593 C LYS C 47 -7.955 10.830 1.679 1.00 0.00 C ATOM 594 O LYS C 47 -7.721 10.670 2.866 1.00 0.00 O ATOM 595 CB LYS C 47 -9.451 12.614 1.023 1.00 0.00 C ATOM 596 CG LYS C 47 -9.777 14.006 0.586 1.00 0.00 C ATOM 597 CD LYS C 47 -11.143 14.385 0.757 1.00 0.00 C ATOM 598 CE LYS C 47 -11.988 13.818 -0.102 1.00 0.00 C ATOM 599 NZ LYS C 47 -13.247 14.258 -0.055 1.00 0.00 N ATOM 0 H LYS C 47 -8.139 12.699 -0.921 1.00 0.00 H new ATOM 0 HA LYS C 47 -7.427 12.865 1.699 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -9.971 11.925 0.357 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -9.870 12.471 2.019 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -9.149 14.702 1.142 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -9.515 14.112 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -11.452 14.132 1.771 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -11.220 15.468 0.661 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -11.607 13.971 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -11.992 12.743 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -13.818 13.752 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -13.639 14.088 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -13.266 15.278 -0.259 1.00 0.00 H new ATOM 613 N ALA C 48 -8.074 9.815 0.833 1.00 0.00 N ATOM 614 CA ALA C 48 -7.888 8.417 1.139 1.00 0.00 C ATOM 615 C ALA C 48 -6.537 8.069 1.725 1.00 0.00 C ATOM 616 O ALA C 48 -6.359 6.963 2.215 1.00 0.00 O ATOM 617 CB ALA C 48 -8.099 7.674 -0.168 1.00 0.00 C ATOM 0 H ALA C 48 -8.319 9.964 -0.146 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.597 8.134 1.917 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.971 6.604 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.106 7.866 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.371 8.017 -0.903 1.00 0.00 H new ATOM 623 N ALA C 49 -5.578 8.988 1.666 1.00 0.00 N ATOM 624 CA ALA C 49 -4.188 8.756 1.964 1.00 0.00 C ATOM 625 C ALA C 49 -3.964 8.416 3.422 1.00 0.00 C ATOM 626 O ALA C 49 -4.000 7.249 3.794 1.00 0.00 O ATOM 627 CB ALA C 49 -3.359 9.917 1.448 1.00 0.00 C ATOM 0 H ALA C 49 -5.768 9.953 1.396 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.845 7.866 1.436 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.307 9.742 1.673 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.489 10.006 0.369 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.684 10.839 1.930 1.00 0.00 H new ATOM 633 N ALA C 50 -3.819 9.408 4.292 1.00 0.00 N ATOM 634 CA ALA C 50 -3.551 9.185 5.684 1.00 0.00 C ATOM 635 C ALA C 50 -4.758 8.748 6.486 1.00 0.00 C ATOM 636 O ALA C 50 -4.864 9.029 7.645 1.00 0.00 O ATOM 637 CB ALA C 50 -2.921 10.447 6.242 1.00 0.00 C ATOM 0 H ALA C 50 -3.887 10.393 4.037 1.00 0.00 H new ATOM 0 HA ALA C 50 -2.865 8.342 5.771 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -2.705 10.308 7.301 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -1.995 10.658 5.708 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -3.610 11.283 6.119 1.00 0.00 H new ATOM 643 N ALA C 51 -5.644 8.007 5.856 1.00 0.00 N ATOM 644 CA ALA C 51 -6.790 7.275 6.333 1.00 0.00 C ATOM 645 C ALA C 51 -6.718 5.796 6.012 1.00 0.00 C ATOM 646 O ALA C 51 -7.205 4.981 6.771 1.00 0.00 O ATOM 647 CB ALA C 51 -8.029 7.854 5.687 1.00 0.00 C ATOM 0 H ALA C 51 -5.559 7.891 4.846 1.00 0.00 H new ATOM 0 HA ALA C 51 -6.816 7.371 7.418 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -8.908 7.312 6.036 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.121 8.907 5.955 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -7.952 7.761 4.604 1.00 0.00 H new ATOM 653 N ALA C 52 -6.033 5.414 4.952 1.00 0.00 N ATOM 654 CA ALA C 52 -5.657 4.059 4.638 1.00 0.00 C ATOM 655 C ALA C 52 -4.200 3.779 4.932 1.00 0.00 C ATOM 656 O ALA C 52 -3.907 2.820 5.626 1.00 0.00 O ATOM 657 CB ALA C 52 -5.964 3.753 3.185 1.00 0.00 C ATOM 0 H ALA C 52 -5.709 6.081 4.252 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.246 3.406 5.282 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.675 2.726 2.961 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -7.032 3.877 3.005 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -5.406 4.435 2.544 1.00 0.00 H new ATOM 663 N ILE C 53 -3.298 4.638 4.467 1.00 0.00 N ATOM 664 CA ILE C 53 -1.874 4.492 4.637 1.00 0.00 C ATOM 665 C ILE C 53 -1.501 4.346 6.099 1.00 0.00 C ATOM 666 O ILE C 53 -0.591 3.604 6.427 1.00 0.00 O ATOM 667 CB ILE C 53 -1.084 5.628 4.007 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.356 5.890 2.536 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.403 5.452 4.207 1.00 0.00 C ATOM 670 CD1 ILE C 53 -1.178 4.707 1.638 1.00 0.00 C ATOM 0 H ILE C 53 -3.556 5.477 3.947 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.604 3.576 4.111 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.447 6.505 4.542 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.377 6.256 2.431 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -0.695 6.687 2.196 1.00 0.00 H new ATOM 0 HG21 ILE C 53 0.933 6.283 3.743 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.626 5.429 5.274 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.723 4.516 3.749 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -1.395 4.995 0.609 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -0.150 4.350 1.706 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -1.859 3.913 1.944 1.00 0.00 H new ATOM 682 N LYS C 54 -2.209 5.003 7.010 1.00 0.00 N ATOM 683 CA LYS C 54 -2.043 4.864 8.439 1.00 0.00 C ATOM 684 C LYS C 54 -2.168 3.433 8.930 1.00 0.00 C ATOM 685 O LYS C 54 -1.209 2.814 9.327 1.00 0.00 O ATOM 686 CB LYS C 54 -3.009 5.832 9.097 1.00 0.00 C ATOM 687 CG LYS C 54 -4.496 5.797 8.837 1.00 0.00 C ATOM 688 CD LYS C 54 -5.275 6.548 9.858 1.00 0.00 C ATOM 689 CE LYS C 54 -5.253 5.835 11.172 1.00 0.00 C ATOM 690 NZ LYS C 54 -5.963 6.535 12.196 1.00 0.00 N ATOM 0 H LYS C 54 -2.939 5.669 6.758 1.00 0.00 H new ATOM 0 HA LYS C 54 -1.022 5.119 8.723 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -2.878 5.720 10.173 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -2.671 6.835 8.837 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -4.698 6.216 7.851 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -4.833 4.761 8.818 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -4.860 7.549 9.975 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -6.305 6.668 9.521 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -5.687 4.843 11.049 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -4.219 5.693 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -5.914 5.995 13.083 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -5.535 7.472 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -6.958 6.648 11.914 1.00 0.00 H new ATOM 704 N ALA C 55 -3.353 2.886 8.692 1.00 0.00 N ATOM 705 CA ALA C 55 -3.774 1.508 8.766 1.00 0.00 C ATOM 706 C ALA C 55 -3.110 0.573 7.782 1.00 0.00 C ATOM 707 O ALA C 55 -3.544 -0.559 7.640 1.00 0.00 O ATOM 708 CB ALA C 55 -5.272 1.509 8.609 1.00 0.00 C ATOM 0 H ALA C 55 -4.132 3.480 8.408 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.460 1.106 9.729 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -5.644 0.485 8.658 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.721 2.097 9.409 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -5.537 1.946 7.646 1.00 0.00 H new ATOM 714 N ILE C 56 -2.043 0.997 7.116 1.00 0.00 N ATOM 715 CA ILE C 56 -1.194 0.160 6.304 1.00 0.00 C ATOM 716 C ILE C 56 0.238 0.230 6.808 1.00 0.00 C ATOM 717 O ILE C 56 0.781 -0.829 7.097 1.00 0.00 O ATOM 718 CB ILE C 56 -1.365 0.398 4.818 1.00 0.00 C ATOM 719 CG1 ILE C 56 -2.712 -0.066 4.323 1.00 0.00 C ATOM 720 CG2 ILE C 56 -0.263 -0.157 3.980 1.00 0.00 C ATOM 721 CD1 ILE C 56 -2.885 -1.540 4.232 1.00 0.00 C ATOM 0 H ILE C 56 -1.741 1.971 7.133 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.512 -0.876 6.418 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.311 1.480 4.700 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -3.481 0.333 4.985 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -2.886 0.365 3.337 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -0.462 0.056 2.930 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.682 0.302 4.271 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.202 -1.235 4.126 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -3.886 -1.767 3.866 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -2.146 -1.951 3.545 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -2.750 -1.984 5.218 1.00 0.00 H new ATOM 733 N ALA C 57 0.834 1.401 7.029 1.00 0.00 N ATOM 734 CA ALA C 57 2.195 1.465 7.508 1.00 0.00 C ATOM 735 C ALA C 57 2.383 0.869 8.891 1.00 0.00 C ATOM 736 O ALA C 57 3.463 0.391 9.196 1.00 0.00 O ATOM 737 CB ALA C 57 2.602 2.930 7.451 1.00 0.00 C ATOM 0 H ALA C 57 0.391 2.308 6.882 1.00 0.00 H new ATOM 0 HA ALA C 57 2.837 0.852 6.876 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.628 3.037 7.804 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.533 3.287 6.423 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.937 3.517 8.085 1.00 0.00 H new ATOM 743 N ALA C 58 1.319 0.819 9.689 1.00 0.00 N ATOM 744 CA ALA C 58 1.250 0.121 10.951 1.00 0.00 C ATOM 745 C ALA C 58 1.081 -1.377 10.794 1.00 0.00 C ATOM 746 O ALA C 58 1.666 -2.138 11.540 1.00 0.00 O ATOM 747 CB ALA C 58 0.094 0.705 11.745 1.00 0.00 C ATOM 0 H ALA C 58 0.445 1.289 9.454 1.00 0.00 H new ATOM 0 HA ALA C 58 2.197 0.259 11.473 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.018 0.195 12.705 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.267 1.768 11.911 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.834 0.571 11.189 1.00 0.00 H new ATOM 753 N ILE C 59 0.279 -1.787 9.820 1.00 0.00 N ATOM 754 CA ILE C 59 0.007 -3.155 9.447 1.00 0.00 C ATOM 755 C ILE C 59 1.204 -3.774 8.751 1.00 0.00 C ATOM 756 O ILE C 59 1.471 -4.941 8.968 1.00 0.00 O ATOM 757 CB ILE C 59 -1.261 -3.179 8.605 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.544 -3.248 9.417 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.279 -4.302 7.591 1.00 0.00 C ATOM 760 CD1 ILE C 59 -2.770 -2.126 10.401 1.00 0.00 C ATOM 0 H ILE C 59 -0.229 -1.123 9.235 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.163 -3.769 10.331 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.232 -2.220 8.087 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -3.386 -3.272 8.726 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.553 -4.191 9.964 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.209 -4.264 7.023 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.434 -4.192 6.911 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.208 -5.259 8.107 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -3.715 -2.283 10.921 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -1.956 -2.108 11.126 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -2.802 -1.176 9.868 1.00 0.00 H new ATOM 772 N ILE C 60 2.019 -3.032 8.004 1.00 0.00 N ATOM 773 CA ILE C 60 3.304 -3.449 7.489 1.00 0.00 C ATOM 774 C ILE C 60 4.193 -3.960 8.605 1.00 0.00 C ATOM 775 O ILE C 60 4.691 -5.076 8.541 1.00 0.00 O ATOM 776 CB ILE C 60 3.924 -2.298 6.709 1.00 0.00 C ATOM 777 CG1 ILE C 60 3.194 -2.125 5.387 1.00 0.00 C ATOM 778 CG2 ILE C 60 5.417 -2.428 6.464 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.746 -1.107 4.401 1.00 0.00 C ATOM 0 H ILE C 60 1.781 -2.078 7.733 1.00 0.00 H new ATOM 0 HA ILE C 60 3.180 -4.286 6.802 1.00 0.00 H new ATOM 0 HB ILE C 60 3.808 -1.415 7.338 1.00 0.00 H new ATOM 0 HG12 ILE C 60 3.169 -3.094 4.889 1.00 0.00 H new ATOM 0 HG13 ILE C 60 2.162 -1.853 5.607 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.770 -1.563 5.902 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.939 -2.478 7.419 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.615 -3.336 5.895 1.00 0.00 H new ATOM 0 HD11 ILE C 60 3.124 -1.093 3.506 1.00 0.00 H new ATOM 0 HD12 ILE C 60 3.744 -0.118 4.860 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.766 -1.379 4.130 1.00 0.00 H new ATOM 791 N LYS C 61 4.338 -3.172 9.662 1.00 0.00 N ATOM 792 CA LYS C 61 5.095 -3.425 10.867 1.00 0.00 C ATOM 793 C LYS C 61 4.571 -4.642 11.606 1.00 0.00 C ATOM 794 O LYS C 61 5.354 -5.493 11.973 1.00 0.00 O ATOM 795 CB LYS C 61 5.080 -2.171 11.728 1.00 0.00 C ATOM 796 CG LYS C 61 6.134 -1.169 11.306 1.00 0.00 C ATOM 797 CD LYS C 61 6.049 0.111 12.104 1.00 0.00 C ATOM 798 CE LYS C 61 7.153 1.065 11.908 1.00 0.00 C ATOM 799 NZ LYS C 61 8.379 0.623 12.397 1.00 0.00 N ATOM 0 H LYS C 61 3.885 -2.259 9.694 1.00 0.00 H new ATOM 0 HA LYS C 61 6.128 -3.657 10.609 1.00 0.00 H new ATOM 0 HB2 LYS C 61 4.096 -1.706 11.670 1.00 0.00 H new ATOM 0 HB3 LYS C 61 5.241 -2.447 12.770 1.00 0.00 H new ATOM 0 HG2 LYS C 61 7.123 -1.609 11.431 1.00 0.00 H new ATOM 0 HG3 LYS C 61 6.017 -0.944 10.246 1.00 0.00 H new ATOM 0 HD2 LYS C 61 5.113 0.611 11.854 1.00 0.00 H new ATOM 0 HD3 LYS C 61 6.000 -0.146 13.162 1.00 0.00 H new ATOM 0 HE2 LYS C 61 7.253 1.275 10.843 1.00 0.00 H new ATOM 0 HE3 LYS C 61 6.897 2.006 12.396 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 9.077 1.391 12.330 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 8.273 0.337 13.391 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 8.704 -0.190 11.835 1.00 0.00 H new ATOM 813 N ALA C 62 3.268 -4.745 11.800 1.00 0.00 N ATOM 814 CA ALA C 62 2.600 -5.812 12.504 1.00 0.00 C ATOM 815 C ALA C 62 2.625 -7.098 11.707 1.00 0.00 C ATOM 816 O ALA C 62 2.780 -8.165 12.248 1.00 0.00 O ATOM 817 CB ALA C 62 1.193 -5.350 12.812 1.00 0.00 C ATOM 0 H ALA C 62 2.616 -4.044 11.448 1.00 0.00 H new ATOM 0 HA ALA C 62 3.118 -6.037 13.436 1.00 0.00 H new ATOM 0 HB1 ALA C 62 0.660 -6.137 13.346 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.232 -4.454 13.431 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.672 -5.126 11.881 1.00 0.00 H new ATOM 823 N GLY C 63 2.507 -7.007 10.401 1.00 0.00 N ATOM 824 CA GLY C 63 2.576 -8.026 9.382 1.00 0.00 C ATOM 825 C GLY C 63 3.968 -8.614 9.268 1.00 0.00 C ATOM 826 O GLY C 63 4.120 -9.790 9.097 1.00 0.00 O ATOM 0 H GLY C 63 2.338 -6.095 9.976 1.00 0.00 H new ATOM 0 HA2 GLY C 63 1.864 -8.819 9.612 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.281 -7.601 8.422 1.00 0.00 H new ATOM 830 N GLY C 64 5.010 -7.832 9.443 1.00 0.00 N ATOM 831 CA GLY C 64 6.402 -8.204 9.382 1.00 0.00 C ATOM 832 C GLY C 64 6.923 -8.373 7.978 1.00 0.00 C ATOM 833 O GLY C 64 7.633 -9.315 7.681 1.00 0.00 O ATOM 0 H GLY C 64 4.894 -6.840 9.648 1.00 0.00 H new ATOM 0 HA2 GLY C 64 6.995 -7.444 9.891 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.544 -9.137 9.927 1.00 0.00 H new ATOM 837 N TYR C 65 6.568 -7.472 7.074 1.00 0.00 N ATOM 838 CA TYR C 65 7.049 -7.426 5.716 1.00 0.00 C ATOM 839 C TYR C 65 8.530 -7.167 5.644 1.00 0.00 C ATOM 840 O TYR C 65 9.071 -6.307 6.234 1.00 0.00 O ATOM 841 CB TYR C 65 6.308 -6.324 4.990 1.00 0.00 C ATOM 842 CG TYR C 65 4.959 -6.631 4.405 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.754 -7.688 3.518 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.924 -5.728 4.655 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.533 -7.789 2.854 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.700 -5.810 3.994 1.00 0.00 C ATOM 847 CZ TYR C 65 2.513 -6.851 3.073 1.00 0.00 C ATOM 848 OH TYR C 65 1.329 -6.976 2.419 1.00 0.00 O ATOM 0 H TYR C 65 5.908 -6.724 7.284 1.00 0.00 H new ATOM 0 HA TYR C 65 6.870 -8.396 5.253 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.186 -5.493 5.685 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.948 -5.972 4.181 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.531 -8.418 3.348 1.00 0.00 H new ATOM 0 HD2 TYR C 65 4.076 -4.943 5.381 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.370 -8.601 2.161 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.917 -5.092 4.186 1.00 0.00 H new ATOM 0 HH TYR C 65 0.661 -7.364 3.022 1.00 0.00 H new ATOM 868 N ALA D 68 3.860 -13.723 5.125 1.00 0.00 N ATOM 869 CA ALA D 68 2.908 -13.827 4.081 1.00 0.00 C ATOM 870 C ALA D 68 1.485 -13.584 4.504 1.00 0.00 C ATOM 871 O ALA D 68 0.680 -13.241 3.670 1.00 0.00 O ATOM 872 CB ALA D 68 3.085 -15.161 3.427 1.00 0.00 C ATOM 0 HA ALA D 68 3.099 -13.023 3.370 1.00 0.00 H new ATOM 0 HB1 ALA D 68 2.363 -15.268 2.618 1.00 0.00 H new ATOM 0 HB2 ALA D 68 4.095 -15.238 3.025 1.00 0.00 H new ATOM 0 HB3 ALA D 68 2.926 -15.950 4.162 1.00 0.00 H new ATOM 878 N LYS D 69 1.159 -13.671 5.780 1.00 0.00 N ATOM 879 CA LYS D 69 -0.030 -13.139 6.387 1.00 0.00 C ATOM 880 C LYS D 69 -0.233 -11.679 6.043 1.00 0.00 C ATOM 881 O LYS D 69 -1.279 -11.287 5.544 1.00 0.00 O ATOM 882 CB LYS D 69 0.088 -13.250 7.890 1.00 0.00 C ATOM 883 CG LYS D 69 0.010 -14.642 8.436 1.00 0.00 C ATOM 884 CD LYS D 69 0.017 -14.726 9.904 1.00 0.00 C ATOM 885 CE LYS D 69 0.027 -16.093 10.496 1.00 0.00 C ATOM 886 NZ LYS D 69 -1.205 -16.730 10.388 1.00 0.00 N ATOM 0 H LYS D 69 1.759 -14.145 6.455 1.00 0.00 H new ATOM 0 HA LYS D 69 -0.877 -13.711 6.009 1.00 0.00 H new ATOM 0 HB2 LYS D 69 1.036 -12.809 8.197 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -0.703 -12.654 8.345 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -0.899 -15.114 8.063 1.00 0.00 H new ATOM 0 HG3 LYS D 69 0.851 -15.218 8.048 1.00 0.00 H new ATOM 0 HD2 LYS D 69 0.892 -14.190 10.271 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -0.860 -14.199 10.279 1.00 0.00 H new ATOM 0 HE2 LYS D 69 0.788 -16.695 9.999 1.00 0.00 H new ATOM 0 HE3 LYS D 69 0.308 -16.028 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -1.145 -17.677 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -1.929 -16.172 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -1.463 -16.818 9.384 1.00 0.00 H new ATOM 900 N ALA D 70 0.798 -10.865 6.252 1.00 0.00 N ATOM 901 CA ALA D 70 0.886 -9.483 5.840 1.00 0.00 C ATOM 902 C ALA D 70 0.431 -9.272 4.409 1.00 0.00 C ATOM 903 O ALA D 70 -0.267 -8.320 4.095 1.00 0.00 O ATOM 904 CB ALA D 70 2.326 -9.021 6.005 1.00 0.00 C ATOM 0 H ALA D 70 1.637 -11.178 6.741 1.00 0.00 H new ATOM 0 HA ALA D 70 0.217 -8.896 6.469 1.00 0.00 H new ATOM 0 HB1 ALA D 70 2.411 -7.979 5.698 1.00 0.00 H new ATOM 0 HB2 ALA D 70 2.621 -9.117 7.050 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.979 -9.636 5.385 1.00 0.00 H new ATOM 910 N ALA D 71 0.801 -10.229 3.562 1.00 0.00 N ATOM 911 CA ALA D 71 0.613 -10.221 2.137 1.00 0.00 C ATOM 912 C ALA D 71 -0.746 -10.699 1.664 1.00 0.00 C ATOM 913 O ALA D 71 -0.990 -10.739 0.480 1.00 0.00 O ATOM 914 CB ALA D 71 1.744 -10.965 1.458 1.00 0.00 C ATOM 0 H ALA D 71 1.267 -11.077 3.885 1.00 0.00 H new ATOM 0 HA ALA D 71 0.637 -9.173 1.839 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.591 -10.953 0.379 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.692 -10.482 1.696 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.764 -11.996 1.810 1.00 0.00 H new ATOM 920 N ALA D 72 -1.671 -10.989 2.558 1.00 0.00 N ATOM 921 CA ALA D 72 -3.086 -10.858 2.332 1.00 0.00 C ATOM 922 C ALA D 72 -3.610 -9.621 3.023 1.00 0.00 C ATOM 923 O ALA D 72 -4.028 -8.688 2.364 1.00 0.00 O ATOM 924 CB ALA D 72 -3.760 -12.134 2.779 1.00 0.00 C ATOM 0 H ALA D 72 -1.444 -11.333 3.491 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.307 -10.722 1.273 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.835 -12.054 2.616 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.367 -12.973 2.205 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.565 -12.296 3.839 1.00 0.00 H new ATOM 930 N ALA D 73 -3.517 -9.547 4.342 1.00 0.00 N ATOM 931 CA ALA D 73 -4.181 -8.598 5.191 1.00 0.00 C ATOM 932 C ALA D 73 -3.950 -7.147 4.839 1.00 0.00 C ATOM 933 O ALA D 73 -4.868 -6.352 4.915 1.00 0.00 O ATOM 934 CB ALA D 73 -3.820 -8.875 6.609 1.00 0.00 C ATOM 0 H ALA D 73 -2.935 -10.196 4.872 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.250 -8.740 5.031 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.321 -8.158 7.259 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -4.133 -9.885 6.874 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -2.741 -8.786 6.734 1.00 0.00 H new ATOM 940 N ALA D 74 -2.748 -6.796 4.410 1.00 0.00 N ATOM 941 CA ALA D 74 -2.510 -5.428 4.023 1.00 0.00 C ATOM 942 C ALA D 74 -3.076 -5.100 2.655 1.00 0.00 C ATOM 943 O ALA D 74 -3.642 -4.044 2.427 1.00 0.00 O ATOM 944 CB ALA D 74 -1.026 -5.103 4.084 1.00 0.00 C ATOM 0 H ALA D 74 -1.948 -7.423 4.325 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.039 -4.801 4.740 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -0.868 -4.066 3.788 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -0.663 -5.249 5.101 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -0.481 -5.760 3.406 1.00 0.00 H new ATOM 950 N ILE D 75 -2.915 -6.061 1.758 1.00 0.00 N ATOM 951 CA ILE D 75 -3.334 -5.971 0.381 1.00 0.00 C ATOM 952 C ILE D 75 -4.845 -5.980 0.261 1.00 0.00 C ATOM 953 O ILE D 75 -5.370 -5.169 -0.486 1.00 0.00 O ATOM 954 CB ILE D 75 -2.795 -7.159 -0.405 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.314 -7.429 -0.187 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.105 -7.033 -1.885 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.433 -6.218 -0.442 1.00 0.00 C ATOM 0 H ILE D 75 -2.473 -6.952 1.984 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.945 -5.034 -0.016 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.321 -8.026 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.162 -7.770 0.837 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.000 -8.241 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -2.706 -7.898 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.185 -6.986 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.647 -6.124 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.610 -6.483 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.556 -5.889 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.720 -5.411 0.232 1.00 0.00 H new ATOM 969 N LYS D 76 -5.536 -6.854 0.986 1.00 0.00 N ATOM 970 CA LYS D 76 -6.965 -7.021 0.959 1.00 0.00 C ATOM 971 C LYS D 76 -7.736 -5.885 1.593 1.00 0.00 C ATOM 972 O LYS D 76 -8.819 -5.541 1.158 1.00 0.00 O ATOM 973 CB LYS D 76 -7.267 -8.338 1.647 1.00 0.00 C ATOM 974 CG LYS D 76 -7.007 -9.547 0.788 1.00 0.00 C ATOM 975 CD LYS D 76 -7.463 -10.810 1.432 1.00 0.00 C ATOM 976 CE LYS D 76 -7.207 -12.000 0.547 1.00 0.00 C ATOM 977 NZ LYS D 76 -7.805 -13.216 1.056 1.00 0.00 N ATOM 0 H LYS D 76 -5.081 -7.492 1.638 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.296 -7.019 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.664 -8.411 2.552 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.312 -8.343 1.958 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.516 -9.426 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.940 -9.615 0.575 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -6.946 -10.943 2.382 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -8.528 -10.743 1.655 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.599 -11.797 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -6.132 -12.145 0.443 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -7.597 -14.003 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -7.413 -13.429 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.835 -13.092 1.131 1.00 0.00 H new ATOM 991 N ALA D 77 -7.118 -5.238 2.571 1.00 0.00 N ATOM 992 CA ALA D 77 -7.449 -3.885 2.938 1.00 0.00 C ATOM 993 C ALA D 77 -7.254 -2.921 1.781 1.00 0.00 C ATOM 994 O ALA D 77 -8.205 -2.349 1.270 1.00 0.00 O ATOM 995 CB ALA D 77 -6.649 -3.525 4.170 1.00 0.00 C ATOM 0 H ALA D 77 -6.370 -5.647 3.130 1.00 0.00 H new ATOM 0 HA ALA D 77 -8.509 -3.806 3.179 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -6.882 -2.503 4.469 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -6.903 -4.207 4.981 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -5.585 -3.605 3.949 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.045 -2.707 1.280 1.00 0.00 N ATOM 1002 CA ILE D 78 -5.704 -1.600 0.417 1.00 0.00 C ATOM 1003 C ILE D 78 -6.355 -1.720 -0.948 1.00 0.00 C ATOM 1004 O ILE D 78 -6.963 -0.763 -1.396 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.204 -1.346 0.415 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -3.977 0.156 0.436 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.520 -2.040 -0.748 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -2.549 0.634 0.374 1.00 0.00 C ATOM 0 H ILE D 78 -5.255 -3.322 1.473 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.136 -0.686 0.826 1.00 0.00 H new ATOM 0 HB ILE D 78 -3.747 -1.778 1.305 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.517 0.592 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -4.428 0.554 1.345 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.450 -1.835 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.686 -3.115 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.932 -1.669 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.529 1.724 0.397 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -1.997 0.243 1.229 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -2.087 0.282 -0.548 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.437 -2.900 -1.550 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.053 -2.985 -2.854 1.00 0.00 C ATOM 1022 C ALA D 79 -8.553 -2.800 -2.838 1.00 0.00 C ATOM 1023 O ALA D 79 -9.162 -2.624 -3.852 1.00 0.00 O ATOM 1024 CB ALA D 79 -6.632 -4.281 -3.508 1.00 0.00 C ATOM 0 H ALA D 79 -6.095 -3.781 -1.166 1.00 0.00 H new ATOM 0 HA ALA D 79 -6.696 -2.145 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.091 -4.357 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -5.547 -4.301 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -6.954 -5.121 -2.892 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.198 -2.835 -1.690 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.588 -2.520 -1.494 1.00 0.00 C ATOM 1032 C ALA D 80 -10.821 -1.116 -0.998 1.00 0.00 C ATOM 1033 O ALA D 80 -11.749 -0.451 -1.428 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.103 -3.540 -0.510 1.00 0.00 C ATOM 0 H ALA D 80 -8.734 -3.100 -0.821 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.117 -2.561 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.160 -3.357 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -10.978 -4.540 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -10.544 -3.461 0.422 1.00 0.00 H new ATOM 1040 N ILE D 81 -9.924 -0.622 -0.155 1.00 0.00 N ATOM 1041 CA ILE D 81 -9.897 0.737 0.340 1.00 0.00 C ATOM 1042 C ILE D 81 -9.489 1.673 -0.785 1.00 0.00 C ATOM 1043 O ILE D 81 -9.947 2.801 -0.799 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.004 0.854 1.563 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.536 0.066 2.747 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.813 2.298 1.993 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.557 -0.174 3.883 1.00 0.00 C ATOM 0 H ILE D 81 -9.162 -1.189 0.216 1.00 0.00 H new ATOM 0 HA ILE D 81 -10.894 1.030 0.670 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.045 0.435 1.259 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.404 0.591 3.147 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -9.887 -0.901 2.386 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -8.168 2.334 2.871 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.353 2.862 1.181 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.781 2.736 2.236 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -9.047 -0.746 4.671 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -7.698 -0.732 3.511 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.223 0.783 4.283 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.725 1.246 -1.782 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.441 2.062 -2.937 1.00 0.00 C ATOM 1061 C ILE D 82 -9.678 2.323 -3.763 1.00 0.00 C ATOM 1062 O ILE D 82 -9.982 3.467 -4.069 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.277 1.458 -3.698 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -6.022 1.768 -2.910 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.133 2.046 -5.088 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -4.723 1.217 -3.431 1.00 0.00 C ATOM 0 H ILE D 82 -8.289 0.324 -1.805 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.128 3.058 -2.625 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.446 0.387 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.925 2.852 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.162 1.397 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.286 1.582 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.043 1.859 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.966 3.121 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -3.910 1.516 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -4.778 0.129 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.538 1.606 -4.432 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.396 1.254 -4.082 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.674 1.298 -4.743 1.00 0.00 C ATOM 1080 C LYS D 83 -12.702 2.176 -4.059 1.00 0.00 C ATOM 1081 O LYS D 83 -13.487 2.808 -4.736 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.165 -0.133 -4.872 1.00 0.00 C ATOM 1083 CG LYS D 83 -13.036 -0.358 -6.074 1.00 0.00 C ATOM 1084 CD LYS D 83 -12.255 -0.478 -7.309 1.00 0.00 C ATOM 1085 CE LYS D 83 -13.156 -0.803 -8.452 1.00 0.00 C ATOM 1086 NZ LYS D 83 -12.831 -1.481 -9.341 1.00 0.00 N ATOM 0 H LYS D 83 -10.085 0.304 -3.876 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.539 1.763 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -11.305 -0.801 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.722 -0.401 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -13.625 -1.264 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -13.740 0.468 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -11.725 0.454 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -11.500 -1.256 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -14.048 -1.261 -8.023 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -13.463 0.149 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -13.617 -1.568 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -12.010 -1.058 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -12.576 -2.424 -8.983 1.00 0.00 H new ATOM 1100 N ALA D 84 -12.703 2.209 -2.735 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.620 2.964 -1.922 1.00 0.00 C ATOM 1102 C ALA D 84 -13.165 4.389 -1.704 1.00 0.00 C ATOM 1103 O ALA D 84 -13.948 5.300 -1.795 1.00 0.00 O ATOM 1104 CB ALA D 84 -13.850 2.234 -0.624 1.00 0.00 C ATOM 0 H ALA D 84 -12.029 1.682 -2.180 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.568 3.044 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.544 2.802 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.270 1.249 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -12.903 2.121 -0.097 1.00 0.00 H new ATOM 1110 N GLY D 85 -11.882 4.580 -1.444 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.209 5.826 -1.161 1.00 0.00 C ATOM 1112 C GLY D 85 -11.163 6.810 -2.318 1.00 0.00 C ATOM 1113 O GLY D 85 -11.171 7.990 -2.117 1.00 0.00 O ATOM 0 H GLY D 85 -11.232 3.794 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.704 6.305 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.188 5.607 -0.850 1.00 0.00 H new ATOM 1117 N GLY D 86 -11.131 6.318 -3.536 1.00 0.00 N ATOM 1118 CA GLY D 86 -11.096 7.093 -4.738 1.00 0.00 C ATOM 1119 C GLY D 86 -9.773 7.749 -5.061 1.00 0.00 C ATOM 1120 O GLY D 86 -9.730 8.787 -5.625 1.00 0.00 O ATOM 0 H GLY D 86 -11.129 5.314 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.373 6.448 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.858 7.870 -4.669 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.690 7.141 -4.712 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.340 7.538 -4.961 1.00 0.00 C ATOM 1126 C TYR D 87 -6.978 7.856 -6.367 1.00 0.00 C ATOM 1127 O TYR D 87 -6.052 8.567 -6.614 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.491 6.387 -4.488 1.00 0.00 C ATOM 1129 CG TYR D 87 -6.055 6.369 -3.053 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.132 7.243 -2.511 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -6.466 5.285 -2.304 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.597 6.991 -1.248 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.925 4.993 -1.052 1.00 0.00 C ATOM 1134 CZ TYR D 87 -4.969 5.865 -0.525 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.464 5.637 0.713 1.00 0.00 O ATOM 0 H TYR D 87 -8.730 6.264 -4.192 1.00 0.00 H new ATOM 0 HA TYR D 87 -7.183 8.482 -4.439 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -7.042 5.466 -4.680 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.595 6.357 -5.108 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -4.826 8.119 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -7.235 4.639 -2.702 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -3.882 7.682 -0.826 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -6.237 4.116 -0.504 1.00 0.00 H new ATOM 0 HH TYR D 87 -5.004 6.111 1.379 1.00 0.00 H new