USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 473 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= 0.859 (180deg=0.0355) USER MOD Single : A 11 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 12 MET CE :methyl -115:sc= -0.0988 (180deg=-3.53!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.788 K(o=0.79,f=-1.1) USER MOD Single : A 17 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.55) USER MOD Single : A 20 SER OG : rot 14:sc= 0.61 USER MOD Single : A 21 THR OG1 : rot -91:sc= 0.732 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -28:sc= 0.125 USER MOD Single : A 38 TYR OH : rot -99:sc= 0.959 USER MOD Single : A 40 MET CE :methyl -158:sc= -0.214 (180deg=-0.873) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 0.703 (180deg=-1.67!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -174:sc= -1.99 (180deg=-2.48) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -162:sc= 0.923 USER MOD Single : A 57 SER OG : rot -71:sc= 1.25 USER MOD Single : A 58 ASN : amide:sc= -0.753! X(o=-0.75!,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 -8.596 -4.673 8.833 1.00 0.00 N ATOM 21 CA MET A 3 -8.044 -3.635 9.678 1.00 0.00 C ATOM 22 C MET A 3 -6.551 -3.859 9.870 1.00 0.00 C ATOM 23 O MET A 3 -5.732 -2.958 9.673 1.00 0.00 O ATOM 24 CB MET A 3 -8.748 -3.676 11.029 1.00 0.00 C ATOM 25 CG MET A 3 -8.588 -2.406 11.822 1.00 0.00 C ATOM 26 SD MET A 3 -9.333 -2.507 13.462 1.00 0.00 S ATOM 27 CE MET A 3 -8.977 -0.870 14.099 1.00 0.00 C ATOM 0 HA MET A 3 -8.194 -2.662 9.210 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.810 -3.867 10.872 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.356 -4.511 11.610 1.00 0.00 H new ATOM 0 HG2 MET A 3 -7.527 -2.178 11.923 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.041 -1.581 11.273 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.376 -0.778 15.109 1.00 0.00 H new ATOM 0 HE2 MET A 3 -7.898 -0.714 14.120 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.439 -0.121 13.456 1.00 0.00 H new ATOM 37 N GLU A 4 -6.216 -5.083 10.256 1.00 0.00 N ATOM 38 CA GLU A 4 -4.839 -5.491 10.459 1.00 0.00 C ATOM 39 C GLU A 4 -4.072 -5.401 9.152 1.00 0.00 C ATOM 40 O GLU A 4 -2.948 -4.903 9.103 1.00 0.00 O ATOM 41 CB GLU A 4 -4.804 -6.906 10.994 1.00 0.00 C ATOM 42 CG GLU A 4 -5.725 -7.095 12.177 1.00 0.00 C ATOM 43 CD GLU A 4 -7.020 -7.790 11.797 1.00 0.00 C ATOM 44 OE1 GLU A 4 -7.724 -7.289 10.889 1.00 0.00 O ATOM 45 OE2 GLU A 4 -7.332 -8.845 12.383 1.00 0.00 O ATOM 0 H GLU A 4 -6.897 -5.821 10.437 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.368 -4.826 11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.087 -7.599 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.784 -7.156 11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.214 -7.679 12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.952 -6.123 12.616 1.00 0.00 H new ATOM 52 N ALA A 5 -4.709 -5.880 8.090 1.00 0.00 N ATOM 53 CA ALA A 5 -4.140 -5.828 6.757 1.00 0.00 C ATOM 54 C ALA A 5 -3.876 -4.393 6.326 1.00 0.00 C ATOM 55 O ALA A 5 -2.812 -4.094 5.784 1.00 0.00 O ATOM 56 CB ALA A 5 -5.065 -6.509 5.766 1.00 0.00 C ATOM 0 H ALA A 5 -5.631 -6.313 8.133 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.186 -6.356 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.627 -6.463 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.203 -7.551 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.030 -6.002 5.762 1.00 0.00 H new ATOM 62 N GLU A 6 -4.847 -3.508 6.566 1.00 0.00 N ATOM 63 CA GLU A 6 -4.676 -2.093 6.251 1.00 0.00 C ATOM 64 C GLU A 6 -3.466 -1.539 6.970 1.00 0.00 C ATOM 65 O GLU A 6 -2.578 -0.955 6.359 1.00 0.00 O ATOM 66 CB GLU A 6 -5.893 -1.286 6.681 1.00 0.00 C ATOM 67 CG GLU A 6 -5.856 0.157 6.204 1.00 0.00 C ATOM 68 CD GLU A 6 -6.895 1.028 6.875 1.00 0.00 C ATOM 69 OE1 GLU A 6 -6.805 1.224 8.105 1.00 0.00 O ATOM 70 OE2 GLU A 6 -7.795 1.537 6.178 1.00 0.00 O ATOM 0 H GLU A 6 -5.751 -3.746 6.974 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.547 -2.012 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.793 -1.766 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.964 -1.300 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.866 0.571 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.011 0.181 5.125 1.00 0.00 H new ATOM 77 N LYS A 7 -3.464 -1.726 8.281 1.00 0.00 N ATOM 78 CA LYS A 7 -2.370 -1.258 9.127 1.00 0.00 C ATOM 79 C LYS A 7 -1.018 -1.704 8.571 1.00 0.00 C ATOM 80 O LYS A 7 -0.108 -0.890 8.407 1.00 0.00 O ATOM 81 CB LYS A 7 -2.521 -1.770 10.557 1.00 0.00 C ATOM 82 CG LYS A 7 -1.809 -0.899 11.568 1.00 0.00 C ATOM 83 CD LYS A 7 -1.091 -1.726 12.614 1.00 0.00 C ATOM 84 CE LYS A 7 0.062 -2.487 11.991 1.00 0.00 C ATOM 85 NZ LYS A 7 0.771 -3.344 12.976 1.00 0.00 N ATOM 0 H LYS A 7 -4.211 -2.201 8.787 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.412 -0.169 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.580 -1.822 10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.129 -2.785 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.091 -0.259 11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.530 -0.243 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.720 -1.077 13.407 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.789 -2.425 13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.313 -3.107 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.767 -1.780 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.078 -4.223 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.602 -2.837 13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.130 -3.572 13.762 1.00 0.00 H new ATOM 99 N GLU A 8 -0.898 -2.995 8.271 1.00 0.00 N ATOM 100 CA GLU A 8 0.335 -3.544 7.711 1.00 0.00 C ATOM 101 C GLU A 8 0.663 -2.897 6.371 1.00 0.00 C ATOM 102 O GLU A 8 1.816 -2.589 6.087 1.00 0.00 O ATOM 103 CB GLU A 8 0.219 -5.059 7.529 1.00 0.00 C ATOM 104 CG GLU A 8 0.106 -5.830 8.832 1.00 0.00 C ATOM 105 CD GLU A 8 1.306 -5.631 9.736 1.00 0.00 C ATOM 106 OE1 GLU A 8 2.433 -5.961 9.319 1.00 0.00 O ATOM 107 OE2 GLU A 8 1.126 -5.162 10.879 1.00 0.00 O ATOM 0 H GLU A 8 -1.640 -3.681 8.406 1.00 0.00 H new ATOM 0 HA GLU A 8 1.140 -3.327 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.655 -5.275 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.091 -5.417 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.796 -5.516 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.006 -6.892 8.612 1.00 0.00 H new ATOM 114 N PHE A 9 -0.362 -2.680 5.569 1.00 0.00 N ATOM 115 CA PHE A 9 -0.208 -2.126 4.229 1.00 0.00 C ATOM 116 C PHE A 9 0.268 -0.676 4.290 1.00 0.00 C ATOM 117 O PHE A 9 1.140 -0.269 3.529 1.00 0.00 O ATOM 118 CB PHE A 9 -1.560 -2.220 3.513 1.00 0.00 C ATOM 119 CG PHE A 9 -1.537 -1.956 2.032 1.00 0.00 C ATOM 120 CD1 PHE A 9 -1.474 -0.662 1.536 1.00 0.00 C ATOM 121 CD2 PHE A 9 -1.628 -3.007 1.138 1.00 0.00 C ATOM 122 CE1 PHE A 9 -1.496 -0.427 0.175 1.00 0.00 C ATOM 123 CE2 PHE A 9 -1.659 -2.777 -0.220 1.00 0.00 C ATOM 124 CZ PHE A 9 -1.593 -1.486 -0.703 1.00 0.00 C ATOM 0 H PHE A 9 -1.329 -2.882 5.825 1.00 0.00 H new ATOM 0 HA PHE A 9 0.545 -2.692 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.969 -3.217 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.246 -1.512 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.407 0.170 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.675 -4.020 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.437 0.584 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.735 -3.607 -0.907 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.617 -1.305 -1.767 1.00 0.00 H new ATOM 134 N ILE A 10 -0.268 0.082 5.234 1.00 0.00 N ATOM 135 CA ILE A 10 0.093 1.487 5.372 1.00 0.00 C ATOM 136 C ILE A 10 1.480 1.618 5.992 1.00 0.00 C ATOM 137 O ILE A 10 2.265 2.493 5.624 1.00 0.00 O ATOM 138 CB ILE A 10 -0.928 2.242 6.243 1.00 0.00 C ATOM 139 CG1 ILE A 10 -2.337 2.079 5.673 1.00 0.00 C ATOM 140 CG2 ILE A 10 -0.567 3.716 6.345 1.00 0.00 C ATOM 141 CD1 ILE A 10 -2.526 2.698 4.304 1.00 0.00 C ATOM 0 H ILE A 10 -0.952 -0.249 5.914 1.00 0.00 H new ATOM 0 HA ILE A 10 0.094 1.928 4.375 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.903 1.814 7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.573 1.016 5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.051 2.527 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.302 4.229 6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.421 3.818 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.560 4.159 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.552 2.539 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.324 3.768 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.839 2.234 3.597 1.00 0.00 H new ATOM 153 N THR A 11 1.782 0.723 6.916 1.00 0.00 N ATOM 154 CA THR A 11 3.089 0.701 7.557 1.00 0.00 C ATOM 155 C THR A 11 4.156 0.212 6.576 1.00 0.00 C ATOM 156 O THR A 11 5.316 0.614 6.643 1.00 0.00 O ATOM 157 CB THR A 11 3.073 -0.187 8.816 1.00 0.00 C ATOM 158 OG1 THR A 11 1.962 0.184 9.646 1.00 0.00 O ATOM 159 CG2 THR A 11 4.362 -0.041 9.610 1.00 0.00 C ATOM 0 H THR A 11 1.140 -0.000 7.241 1.00 0.00 H new ATOM 0 HA THR A 11 3.332 1.719 7.862 1.00 0.00 H new ATOM 0 HB THR A 11 2.979 -1.226 8.500 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.221 -0.441 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.320 -0.680 10.492 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.208 -0.336 8.988 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.483 0.997 9.919 1.00 0.00 H new ATOM 167 N MET A 12 3.729 -0.610 5.628 1.00 0.00 N ATOM 168 CA MET A 12 4.600 -1.126 4.592 1.00 0.00 C ATOM 169 C MET A 12 4.872 -0.018 3.601 1.00 0.00 C ATOM 170 O MET A 12 5.969 0.102 3.058 1.00 0.00 O ATOM 171 CB MET A 12 3.943 -2.333 3.896 1.00 0.00 C ATOM 172 CG MET A 12 4.436 -2.573 2.478 1.00 0.00 C ATOM 173 SD MET A 12 3.751 -4.061 1.724 1.00 0.00 S ATOM 174 CE MET A 12 2.042 -3.574 1.512 1.00 0.00 C ATOM 0 H MET A 12 2.765 -0.936 5.559 1.00 0.00 H new ATOM 0 HA MET A 12 5.540 -1.465 5.027 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.129 -3.228 4.491 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.864 -2.183 3.874 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.180 -1.711 1.861 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.523 -2.647 2.487 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.405 -4.198 2.139 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.923 -2.530 1.800 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.755 -3.697 0.468 1.00 0.00 H new ATOM 184 N LEU A 13 3.867 0.816 3.396 1.00 0.00 N ATOM 185 CA LEU A 13 4.001 1.941 2.500 1.00 0.00 C ATOM 186 C LEU A 13 4.964 2.965 3.088 1.00 0.00 C ATOM 187 O LEU A 13 5.779 3.546 2.376 1.00 0.00 O ATOM 188 CB LEU A 13 2.637 2.578 2.215 1.00 0.00 C ATOM 189 CG LEU A 13 1.753 1.853 1.183 1.00 0.00 C ATOM 190 CD1 LEU A 13 1.523 2.747 -0.018 1.00 0.00 C ATOM 191 CD2 LEU A 13 2.373 0.537 0.725 1.00 0.00 C ATOM 0 H LEU A 13 2.952 0.732 3.839 1.00 0.00 H new ATOM 0 HA LEU A 13 4.406 1.584 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.086 2.643 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.800 3.599 1.870 1.00 0.00 H new ATOM 0 HG LEU A 13 0.803 1.626 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.897 2.228 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.026 3.663 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.481 2.994 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.717 0.059 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.342 0.732 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.504 -0.122 1.583 1.00 0.00 H new ATOM 203 N LYS A 14 4.896 3.144 4.403 1.00 0.00 N ATOM 204 CA LYS A 14 5.809 4.036 5.102 1.00 0.00 C ATOM 205 C LYS A 14 7.226 3.479 5.100 1.00 0.00 C ATOM 206 O LYS A 14 8.197 4.204 4.873 1.00 0.00 O ATOM 207 CB LYS A 14 5.341 4.268 6.520 1.00 0.00 C ATOM 208 CG LYS A 14 4.283 5.327 6.620 1.00 0.00 C ATOM 209 CD LYS A 14 3.417 5.020 7.788 1.00 0.00 C ATOM 210 CE LYS A 14 2.067 5.678 7.665 1.00 0.00 C ATOM 211 NZ LYS A 14 1.205 5.426 8.853 1.00 0.00 N ATOM 0 H LYS A 14 4.216 2.681 5.006 1.00 0.00 H new ATOM 0 HA LYS A 14 5.816 4.990 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.953 3.334 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.193 4.554 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.740 6.310 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.690 5.357 5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.290 3.941 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.905 5.357 8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.199 6.752 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.566 5.309 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.288 5.898 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.055 4.403 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.669 5.801 9.705 1.00 0.00 H new ATOM 225 N GLU A 15 7.338 2.178 5.351 1.00 0.00 N ATOM 226 CA GLU A 15 8.615 1.503 5.388 1.00 0.00 C ATOM 227 C GLU A 15 9.289 1.478 4.019 1.00 0.00 C ATOM 228 O GLU A 15 10.515 1.500 3.929 1.00 0.00 O ATOM 229 CB GLU A 15 8.413 0.101 5.942 1.00 0.00 C ATOM 230 CG GLU A 15 8.486 0.052 7.450 1.00 0.00 C ATOM 231 CD GLU A 15 8.406 -1.351 8.016 1.00 0.00 C ATOM 232 OE1 GLU A 15 9.351 -2.141 7.800 1.00 0.00 O ATOM 233 OE2 GLU A 15 7.420 -1.656 8.714 1.00 0.00 O ATOM 0 H GLU A 15 6.541 1.569 5.534 1.00 0.00 H new ATOM 0 HA GLU A 15 9.289 2.055 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.444 -0.277 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.170 -0.563 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.418 0.513 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.673 0.649 7.864 1.00 0.00 H new ATOM 240 N ASN A 16 8.493 1.472 2.956 1.00 0.00 N ATOM 241 CA ASN A 16 9.038 1.511 1.599 1.00 0.00 C ATOM 242 C ASN A 16 9.161 2.944 1.099 1.00 0.00 C ATOM 243 O ASN A 16 9.406 3.177 -0.085 1.00 0.00 O ATOM 244 CB ASN A 16 8.179 0.684 0.643 1.00 0.00 C ATOM 245 CG ASN A 16 8.433 -0.802 0.783 1.00 0.00 C ATOM 246 OD1 ASN A 16 9.305 -1.360 0.121 1.00 0.00 O ATOM 247 ND2 ASN A 16 7.678 -1.454 1.650 1.00 0.00 N ATOM 0 H ASN A 16 7.475 1.441 3.004 1.00 0.00 H new ATOM 0 HA ASN A 16 10.036 1.075 1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.126 0.890 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.383 0.990 -0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.809 -2.456 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.964 -0.955 2.181 1.00 0.00 H new ATOM 254 N GLN A 17 8.990 3.893 2.018 1.00 0.00 N ATOM 255 CA GLN A 17 9.149 5.314 1.733 1.00 0.00 C ATOM 256 C GLN A 17 8.271 5.780 0.576 1.00 0.00 C ATOM 257 O GLN A 17 8.637 6.685 -0.175 1.00 0.00 O ATOM 258 CB GLN A 17 10.613 5.614 1.475 1.00 0.00 C ATOM 259 CG GLN A 17 11.405 5.744 2.760 1.00 0.00 C ATOM 260 CD GLN A 17 11.056 6.997 3.542 1.00 0.00 C ATOM 261 OE1 GLN A 17 10.132 6.996 4.361 1.00 0.00 O ATOM 262 NE2 GLN A 17 11.804 8.067 3.314 1.00 0.00 N ATOM 0 H GLN A 17 8.736 3.694 2.986 1.00 0.00 H new ATOM 0 HA GLN A 17 8.815 5.875 2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.043 4.820 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.698 6.538 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.222 4.869 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.470 5.752 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.558 8.025 2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.626 8.932 3.824 1.00 0.00 H new ATOM 271 N VAL A 18 7.114 5.148 0.439 1.00 0.00 N ATOM 272 CA VAL A 18 6.180 5.484 -0.621 1.00 0.00 C ATOM 273 C VAL A 18 5.638 6.893 -0.424 1.00 0.00 C ATOM 274 O VAL A 18 5.203 7.252 0.671 1.00 0.00 O ATOM 275 CB VAL A 18 5.002 4.486 -0.670 1.00 0.00 C ATOM 276 CG1 VAL A 18 4.038 4.833 -1.795 1.00 0.00 C ATOM 277 CG2 VAL A 18 5.513 3.063 -0.822 1.00 0.00 C ATOM 0 H VAL A 18 6.800 4.396 1.053 1.00 0.00 H new ATOM 0 HA VAL A 18 6.722 5.429 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 18 4.459 4.559 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.218 4.114 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.640 5.835 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.564 4.798 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.668 2.375 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.086 2.979 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.152 2.813 0.025 1.00 0.00 H new ATOM 287 N ASP A 19 5.689 7.696 -1.475 1.00 0.00 N ATOM 288 CA ASP A 19 5.137 9.039 -1.422 1.00 0.00 C ATOM 289 C ASP A 19 4.445 9.380 -2.731 1.00 0.00 C ATOM 290 O ASP A 19 4.168 8.500 -3.543 1.00 0.00 O ATOM 291 CB ASP A 19 6.223 10.082 -1.117 1.00 0.00 C ATOM 292 CG ASP A 19 7.072 10.441 -2.329 1.00 0.00 C ATOM 293 OD1 ASP A 19 8.010 9.687 -2.655 1.00 0.00 O ATOM 294 OD2 ASP A 19 6.797 11.484 -2.966 1.00 0.00 O ATOM 0 H ASP A 19 6.105 7.442 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 19 4.407 9.063 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.751 10.986 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.871 9.701 -0.328 1.00 0.00 H new ATOM 299 N SER A 20 4.192 10.660 -2.932 1.00 0.00 N ATOM 300 CA SER A 20 3.505 11.154 -4.117 1.00 0.00 C ATOM 301 C SER A 20 4.199 10.736 -5.425 1.00 0.00 C ATOM 302 O SER A 20 3.545 10.586 -6.458 1.00 0.00 O ATOM 303 CB SER A 20 3.417 12.674 -4.025 1.00 0.00 C ATOM 304 OG SER A 20 4.627 13.214 -3.505 1.00 0.00 O ATOM 0 H SER A 20 4.458 11.393 -2.275 1.00 0.00 H new ATOM 0 HA SER A 20 2.510 10.710 -4.145 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.220 13.093 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.581 12.958 -3.385 1.00 0.00 H new ATOM 0 HG SER A 20 5.325 12.527 -3.521 1.00 0.00 H new ATOM 310 N THR A 21 5.518 10.536 -5.377 1.00 0.00 N ATOM 311 CA THR A 21 6.288 10.203 -6.581 1.00 0.00 C ATOM 312 C THR A 21 6.078 8.750 -7.012 1.00 0.00 C ATOM 313 O THR A 21 6.551 8.326 -8.068 1.00 0.00 O ATOM 314 CB THR A 21 7.796 10.443 -6.374 1.00 0.00 C ATOM 315 OG1 THR A 21 8.288 9.626 -5.301 1.00 0.00 O ATOM 316 CG2 THR A 21 8.076 11.910 -6.078 1.00 0.00 C ATOM 0 H THR A 21 6.074 10.598 -4.524 1.00 0.00 H new ATOM 0 HA THR A 21 5.919 10.864 -7.365 1.00 0.00 H new ATOM 0 HB THR A 21 8.312 10.171 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.229 10.123 -4.458 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.147 12.054 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.735 12.521 -6.914 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.546 12.206 -5.172 1.00 0.00 H new ATOM 324 N TRP A 22 5.374 7.992 -6.189 1.00 0.00 N ATOM 325 CA TRP A 22 5.113 6.592 -6.473 1.00 0.00 C ATOM 326 C TRP A 22 3.835 6.417 -7.278 1.00 0.00 C ATOM 327 O TRP A 22 2.772 6.907 -6.898 1.00 0.00 O ATOM 328 CB TRP A 22 4.989 5.801 -5.177 1.00 0.00 C ATOM 329 CG TRP A 22 6.279 5.327 -4.592 1.00 0.00 C ATOM 330 CD1 TRP A 22 7.338 6.080 -4.174 1.00 0.00 C ATOM 331 CD2 TRP A 22 6.621 3.970 -4.326 1.00 0.00 C ATOM 332 NE1 TRP A 22 8.328 5.259 -3.683 1.00 0.00 N ATOM 333 CE2 TRP A 22 7.905 3.956 -3.767 1.00 0.00 C ATOM 334 CE3 TRP A 22 5.961 2.762 -4.520 1.00 0.00 C ATOM 335 CZ2 TRP A 22 8.529 2.767 -3.402 1.00 0.00 C ATOM 336 CZ3 TRP A 22 6.574 1.598 -4.159 1.00 0.00 C ATOM 337 CH2 TRP A 22 7.841 1.605 -3.606 1.00 0.00 C ATOM 0 H TRP A 22 4.971 8.326 -5.313 1.00 0.00 H new ATOM 0 HA TRP A 22 5.953 6.219 -7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.481 6.422 -4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.352 4.936 -5.359 1.00 0.00 H new ATOM 0 HD1 TRP A 22 7.391 7.158 -4.221 1.00 0.00 H new ATOM 0 HE1 TRP A 22 9.228 5.568 -3.317 1.00 0.00 H new ATOM 0 HE3 TRP A 22 4.972 2.745 -4.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.520 2.763 -2.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 6.063 0.658 -4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 22 8.299 0.667 -3.328 1.00 0.00 H new ATOM 348 N SER A 23 3.954 5.730 -8.396 1.00 0.00 N ATOM 349 CA SER A 23 2.794 5.255 -9.128 1.00 0.00 C ATOM 350 C SER A 23 2.350 3.936 -8.502 1.00 0.00 C ATOM 351 O SER A 23 3.168 3.238 -7.893 1.00 0.00 O ATOM 352 CB SER A 23 3.168 5.059 -10.594 1.00 0.00 C ATOM 353 OG SER A 23 2.106 4.484 -11.332 1.00 0.00 O ATOM 0 H SER A 23 4.849 5.486 -8.821 1.00 0.00 H new ATOM 0 HA SER A 23 1.978 5.976 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.438 6.020 -11.033 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.048 4.419 -10.663 1.00 0.00 H new ATOM 0 HG SER A 23 2.379 4.374 -12.267 1.00 0.00 H new ATOM 359 N PHE A 24 1.078 3.563 -8.649 1.00 0.00 N ATOM 360 CA PHE A 24 0.606 2.317 -8.047 1.00 0.00 C ATOM 361 C PHE A 24 0.993 1.142 -8.945 1.00 0.00 C ATOM 362 O PHE A 24 0.650 -0.020 -8.708 1.00 0.00 O ATOM 363 CB PHE A 24 -0.916 2.429 -7.915 1.00 0.00 C ATOM 364 CG PHE A 24 -1.615 1.247 -7.306 1.00 0.00 C ATOM 365 CD1 PHE A 24 -1.594 1.037 -5.940 1.00 0.00 C ATOM 366 CD2 PHE A 24 -2.316 0.360 -8.109 1.00 0.00 C ATOM 367 CE1 PHE A 24 -2.253 -0.040 -5.384 1.00 0.00 C ATOM 368 CE2 PHE A 24 -2.980 -0.716 -7.560 1.00 0.00 C ATOM 369 CZ PHE A 24 -2.950 -0.918 -6.195 1.00 0.00 C ATOM 0 H PHE A 24 0.373 4.090 -9.165 1.00 0.00 H new ATOM 0 HA PHE A 24 1.054 2.149 -7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.144 3.310 -7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.335 2.602 -8.906 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.057 1.723 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.342 0.514 -9.178 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.225 -0.198 -4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.522 -1.399 -8.196 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.469 -1.760 -5.761 1.00 0.00 H new ATOM 379 N SER A 25 1.900 1.453 -9.837 1.00 0.00 N ATOM 380 CA SER A 25 2.547 0.471 -10.667 1.00 0.00 C ATOM 381 C SER A 25 3.812 0.045 -9.959 1.00 0.00 C ATOM 382 O SER A 25 4.242 -1.098 -10.045 1.00 0.00 O ATOM 383 CB SER A 25 2.854 1.072 -12.038 1.00 0.00 C ATOM 384 OG SER A 25 3.282 0.089 -12.966 1.00 0.00 O ATOM 0 H SER A 25 2.213 2.409 -10.008 1.00 0.00 H new ATOM 0 HA SER A 25 1.905 -0.395 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.964 1.570 -12.423 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.627 1.834 -11.935 1.00 0.00 H new ATOM 0 HG SER A 25 3.467 0.513 -13.830 1.00 0.00 H new ATOM 390 N ARG A 26 4.367 0.989 -9.209 1.00 0.00 N ATOM 391 CA ARG A 26 5.577 0.766 -8.453 1.00 0.00 C ATOM 392 C ARG A 26 5.271 -0.111 -7.247 1.00 0.00 C ATOM 393 O ARG A 26 6.065 -0.962 -6.864 1.00 0.00 O ATOM 394 CB ARG A 26 6.151 2.095 -7.990 1.00 0.00 C ATOM 395 CG ARG A 26 7.568 2.004 -7.520 1.00 0.00 C ATOM 396 CD ARG A 26 8.082 3.368 -7.152 1.00 0.00 C ATOM 397 NE ARG A 26 9.517 3.341 -6.961 1.00 0.00 N ATOM 398 CZ ARG A 26 10.256 4.412 -6.671 1.00 0.00 C ATOM 399 NH1 ARG A 26 9.700 5.621 -6.642 1.00 0.00 N ATOM 400 NH2 ARG A 26 11.551 4.278 -6.419 1.00 0.00 N ATOM 0 H ARG A 26 3.984 1.930 -9.113 1.00 0.00 H new ATOM 0 HA ARG A 26 6.308 0.265 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.094 2.811 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.533 2.486 -7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.631 1.339 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.191 1.572 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.828 4.081 -7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.595 3.711 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 26 9.994 2.444 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.706 5.730 -6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.268 6.438 -6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.983 3.354 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.115 5.098 -6.197 1.00 0.00 H new ATOM 414 N ILE A 27 4.109 0.111 -6.650 1.00 0.00 N ATOM 415 CA ILE A 27 3.642 -0.721 -5.550 1.00 0.00 C ATOM 416 C ILE A 27 3.440 -2.152 -6.040 1.00 0.00 C ATOM 417 O ILE A 27 3.973 -3.091 -5.464 1.00 0.00 O ATOM 418 CB ILE A 27 2.316 -0.189 -4.970 1.00 0.00 C ATOM 419 CG1 ILE A 27 2.524 1.211 -4.394 1.00 0.00 C ATOM 420 CG2 ILE A 27 1.770 -1.135 -3.905 1.00 0.00 C ATOM 421 CD1 ILE A 27 1.274 1.807 -3.797 1.00 0.00 C ATOM 0 H ILE A 27 3.470 0.863 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 27 4.396 -0.697 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 27 1.582 -0.133 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.299 1.169 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.890 1.869 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.834 -0.738 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.591 -2.115 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.494 -1.228 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.495 2.801 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.504 1.881 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.919 1.170 -2.987 1.00 0.00 H new ATOM 433 N ILE A 28 2.685 -2.321 -7.121 1.00 0.00 N ATOM 434 CA ILE A 28 2.477 -3.663 -7.668 1.00 0.00 C ATOM 435 C ILE A 28 3.803 -4.298 -8.103 1.00 0.00 C ATOM 436 O ILE A 28 4.052 -5.475 -7.828 1.00 0.00 O ATOM 437 CB ILE A 28 1.498 -3.642 -8.866 1.00 0.00 C ATOM 438 CG1 ILE A 28 0.134 -3.112 -8.422 1.00 0.00 C ATOM 439 CG2 ILE A 28 1.359 -5.034 -9.471 1.00 0.00 C ATOM 440 CD1 ILE A 28 -0.865 -2.985 -9.549 1.00 0.00 C ATOM 0 H ILE A 28 2.217 -1.569 -7.627 1.00 0.00 H new ATOM 0 HA ILE A 28 2.041 -4.264 -6.870 1.00 0.00 H new ATOM 0 HB ILE A 28 1.899 -2.977 -9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.274 -3.777 -7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.268 -2.136 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.666 -4.998 -10.312 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.333 -5.379 -9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.978 -5.722 -8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.808 -2.603 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.479 -2.297 -10.301 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.029 -3.963 -10.002 1.00 0.00 H new ATOM 452 N SER A 29 4.666 -3.517 -8.746 1.00 0.00 N ATOM 453 CA SER A 29 5.882 -4.059 -9.339 1.00 0.00 C ATOM 454 C SER A 29 6.976 -4.321 -8.298 1.00 0.00 C ATOM 455 O SER A 29 7.671 -5.335 -8.375 1.00 0.00 O ATOM 456 CB SER A 29 6.410 -3.100 -10.408 1.00 0.00 C ATOM 457 OG SER A 29 7.376 -3.722 -11.239 1.00 0.00 O ATOM 0 H SER A 29 4.546 -2.512 -8.869 1.00 0.00 H new ATOM 0 HA SER A 29 5.622 -5.018 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.581 -2.743 -11.018 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.851 -2.227 -9.928 1.00 0.00 H new ATOM 0 HG SER A 29 7.690 -3.082 -11.911 1.00 0.00 H new ATOM 463 N GLU A 30 7.124 -3.439 -7.319 1.00 0.00 N ATOM 464 CA GLU A 30 8.199 -3.600 -6.352 1.00 0.00 C ATOM 465 C GLU A 30 7.680 -4.047 -4.991 1.00 0.00 C ATOM 466 O GLU A 30 8.292 -4.885 -4.346 1.00 0.00 O ATOM 467 CB GLU A 30 8.968 -2.287 -6.171 1.00 0.00 C ATOM 468 CG GLU A 30 9.344 -1.597 -7.473 1.00 0.00 C ATOM 469 CD GLU A 30 10.492 -0.623 -7.300 1.00 0.00 C ATOM 470 OE1 GLU A 30 11.656 -1.072 -7.287 1.00 0.00 O ATOM 471 OE2 GLU A 30 10.245 0.594 -7.178 1.00 0.00 O ATOM 0 H GLU A 30 6.529 -2.623 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 30 8.860 -4.371 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.363 -1.605 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.877 -2.487 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.617 -2.349 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.476 -1.066 -7.863 1.00 0.00 H new ATOM 478 N LEU A 31 6.524 -3.552 -4.580 1.00 0.00 N ATOM 479 CA LEU A 31 6.044 -3.796 -3.217 1.00 0.00 C ATOM 480 C LEU A 31 5.460 -5.185 -3.080 1.00 0.00 C ATOM 481 O LEU A 31 5.551 -5.798 -2.018 1.00 0.00 O ATOM 482 CB LEU A 31 5.029 -2.734 -2.795 1.00 0.00 C ATOM 483 CG LEU A 31 5.617 -1.576 -1.993 1.00 0.00 C ATOM 484 CD1 LEU A 31 7.006 -1.221 -2.494 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.700 -0.368 -2.043 1.00 0.00 C ATOM 0 H LEU A 31 5.903 -2.985 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 31 6.902 -3.729 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.549 -2.334 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.249 -3.211 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 31 5.705 -1.893 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.404 -0.393 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.661 -2.086 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.951 -0.929 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.138 0.446 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.573 -0.050 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.729 -0.630 -1.622 1.00 0.00 H new ATOM 497 N GLY A 32 4.888 -5.681 -4.165 1.00 0.00 N ATOM 498 CA GLY A 32 4.372 -7.028 -4.174 1.00 0.00 C ATOM 499 C GLY A 32 5.456 -8.044 -3.844 1.00 0.00 C ATOM 500 O GLY A 32 5.188 -9.060 -3.215 1.00 0.00 O ATOM 0 H GLY A 32 4.773 -5.171 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.561 -7.113 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.950 -7.250 -5.154 1.00 0.00 H new ATOM 504 N THR A 33 6.691 -7.752 -4.250 1.00 0.00 N ATOM 505 CA THR A 33 7.800 -8.670 -4.027 1.00 0.00 C ATOM 506 C THR A 33 8.711 -8.198 -2.882 1.00 0.00 C ATOM 507 O THR A 33 9.465 -8.993 -2.315 1.00 0.00 O ATOM 508 CB THR A 33 8.624 -8.883 -5.317 1.00 0.00 C ATOM 509 OG1 THR A 33 9.676 -9.832 -5.098 1.00 0.00 O ATOM 510 CG2 THR A 33 9.212 -7.577 -5.811 1.00 0.00 C ATOM 0 H THR A 33 6.945 -6.890 -4.733 1.00 0.00 H new ATOM 0 HA THR A 33 7.364 -9.626 -3.736 1.00 0.00 H new ATOM 0 HB THR A 33 7.947 -9.272 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.949 -9.806 -4.157 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.786 -7.757 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.407 -6.873 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.866 -7.160 -5.045 1.00 0.00 H new ATOM 518 N ARG A 34 8.640 -6.913 -2.536 1.00 0.00 N ATOM 519 CA ARG A 34 9.455 -6.376 -1.448 1.00 0.00 C ATOM 520 C ARG A 34 8.927 -6.802 -0.091 1.00 0.00 C ATOM 521 O ARG A 34 9.702 -7.021 0.837 1.00 0.00 O ATOM 522 CB ARG A 34 9.546 -4.859 -1.494 1.00 0.00 C ATOM 523 CG ARG A 34 10.501 -4.334 -2.546 1.00 0.00 C ATOM 524 CD ARG A 34 10.846 -2.886 -2.279 1.00 0.00 C ATOM 525 NE ARG A 34 11.412 -2.218 -3.457 1.00 0.00 N ATOM 526 CZ ARG A 34 12.640 -2.458 -3.936 1.00 0.00 C ATOM 527 NH1 ARG A 34 13.437 -3.333 -3.332 1.00 0.00 N ATOM 528 NH2 ARG A 34 13.066 -1.838 -5.031 1.00 0.00 N ATOM 0 H ARG A 34 8.032 -6.230 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 34 10.454 -6.789 -1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.553 -4.451 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.861 -4.494 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.410 -4.935 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.050 -4.430 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.949 -2.355 -1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.559 -2.831 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 34 10.835 -1.529 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.115 -3.826 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.371 -3.512 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.457 -1.175 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.002 -2.025 -5.391 1.00 0.00 H new ATOM 542 N ASP A 35 7.611 -6.920 0.030 1.00 0.00 N ATOM 543 CA ASP A 35 7.006 -7.226 1.317 1.00 0.00 C ATOM 544 C ASP A 35 5.739 -8.057 1.144 1.00 0.00 C ATOM 545 O ASP A 35 4.859 -7.715 0.352 1.00 0.00 O ATOM 546 CB ASP A 35 6.687 -5.922 2.051 1.00 0.00 C ATOM 547 CG ASP A 35 6.508 -6.101 3.545 1.00 0.00 C ATOM 548 OD1 ASP A 35 5.742 -6.989 3.960 1.00 0.00 O ATOM 549 OD2 ASP A 35 7.141 -5.347 4.317 1.00 0.00 O ATOM 0 H ASP A 35 6.950 -6.810 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 35 7.712 -7.813 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.490 -5.207 1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.777 -5.491 1.633 1.00 0.00 H new ATOM 554 N PRO A 36 5.643 -9.169 1.888 1.00 0.00 N ATOM 555 CA PRO A 36 4.480 -10.059 1.860 1.00 0.00 C ATOM 556 C PRO A 36 3.231 -9.421 2.469 1.00 0.00 C ATOM 557 O PRO A 36 2.147 -10.003 2.425 1.00 0.00 O ATOM 558 CB PRO A 36 4.921 -11.269 2.698 1.00 0.00 C ATOM 559 CG PRO A 36 6.398 -11.133 2.842 1.00 0.00 C ATOM 560 CD PRO A 36 6.677 -9.661 2.801 1.00 0.00 C ATOM 0 HA PRO A 36 4.199 -10.311 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.430 -11.273 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.659 -12.205 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.742 -11.570 3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.919 -11.653 2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.598 -9.205 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.680 -9.448 2.431 1.00 0.00 H new ATOM 568 N ARG A 37 3.382 -8.230 3.042 1.00 0.00 N ATOM 569 CA ARG A 37 2.250 -7.490 3.587 1.00 0.00 C ATOM 570 C ARG A 37 1.230 -7.148 2.507 1.00 0.00 C ATOM 571 O ARG A 37 0.046 -6.969 2.798 1.00 0.00 O ATOM 572 CB ARG A 37 2.721 -6.230 4.282 1.00 0.00 C ATOM 573 CG ARG A 37 3.276 -6.498 5.660 1.00 0.00 C ATOM 574 CD ARG A 37 3.964 -5.281 6.206 1.00 0.00 C ATOM 575 NE ARG A 37 4.431 -5.478 7.576 1.00 0.00 N ATOM 576 CZ ARG A 37 5.706 -5.365 7.949 1.00 0.00 C ATOM 577 NH1 ARG A 37 6.654 -5.130 7.049 1.00 0.00 N ATOM 578 NH2 ARG A 37 6.042 -5.512 9.225 1.00 0.00 N ATOM 0 H ARG A 37 4.280 -7.757 3.141 1.00 0.00 H new ATOM 0 HA ARG A 37 1.760 -8.134 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.487 -5.749 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.889 -5.530 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.469 -6.796 6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.979 -7.330 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.811 -5.028 5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.278 -4.434 6.176 1.00 0.00 H new ATOM 0 HE ARG A 37 3.741 -5.716 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.409 -5.034 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.627 -5.045 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.324 -5.712 9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.018 -5.425 9.509 1.00 0.00 H new ATOM 592 N TYR A 38 1.684 -7.072 1.256 1.00 0.00 N ATOM 593 CA TYR A 38 0.790 -6.823 0.138 1.00 0.00 C ATOM 594 C TYR A 38 -0.127 -8.028 -0.069 1.00 0.00 C ATOM 595 O TYR A 38 -1.208 -7.911 -0.647 1.00 0.00 O ATOM 596 CB TYR A 38 1.601 -6.541 -1.134 1.00 0.00 C ATOM 597 CG TYR A 38 0.764 -6.072 -2.303 1.00 0.00 C ATOM 598 CD1 TYR A 38 0.434 -4.731 -2.453 1.00 0.00 C ATOM 599 CD2 TYR A 38 0.295 -6.971 -3.254 1.00 0.00 C ATOM 600 CE1 TYR A 38 -0.338 -4.299 -3.514 1.00 0.00 C ATOM 601 CE2 TYR A 38 -0.480 -6.548 -4.316 1.00 0.00 C ATOM 602 CZ TYR A 38 -0.793 -5.213 -4.442 1.00 0.00 C ATOM 603 OH TYR A 38 -1.572 -4.791 -5.492 1.00 0.00 O ATOM 0 H TYR A 38 2.665 -7.180 0.997 1.00 0.00 H new ATOM 0 HA TYR A 38 0.177 -5.949 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.354 -5.785 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.134 -7.447 -1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.787 -4.013 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.541 -8.018 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.584 -3.252 -3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.839 -7.261 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.516 -4.957 -5.286 1.00 0.00 H new ATOM 613 N TRP A 39 0.315 -9.177 0.435 1.00 0.00 N ATOM 614 CA TRP A 39 -0.407 -10.431 0.269 1.00 0.00 C ATOM 615 C TRP A 39 -1.224 -10.773 1.509 1.00 0.00 C ATOM 616 O TRP A 39 -2.114 -11.621 1.455 1.00 0.00 O ATOM 617 CB TRP A 39 0.571 -11.558 -0.055 1.00 0.00 C ATOM 618 CG TRP A 39 1.434 -11.233 -1.232 1.00 0.00 C ATOM 619 CD1 TRP A 39 2.795 -11.164 -1.257 1.00 0.00 C ATOM 620 CD2 TRP A 39 0.987 -10.893 -2.551 1.00 0.00 C ATOM 621 NE1 TRP A 39 3.223 -10.816 -2.515 1.00 0.00 N ATOM 622 CE2 TRP A 39 2.132 -10.643 -3.326 1.00 0.00 C ATOM 623 CE3 TRP A 39 -0.270 -10.785 -3.151 1.00 0.00 C ATOM 624 CZ2 TRP A 39 2.057 -10.286 -4.669 1.00 0.00 C ATOM 625 CZ3 TRP A 39 -0.344 -10.429 -4.484 1.00 0.00 C ATOM 626 CH2 TRP A 39 0.815 -10.182 -5.230 1.00 0.00 C ATOM 0 H TRP A 39 1.181 -9.263 0.968 1.00 0.00 H new ATOM 0 HA TRP A 39 -1.103 -10.313 -0.561 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.201 -11.752 0.813 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.015 -12.474 -0.256 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.441 -11.355 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.196 -10.704 -2.800 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.168 -10.976 -2.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.949 -10.098 -5.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.310 -10.340 -4.958 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.726 -9.904 -6.270 1.00 0.00 H new ATOM 637 N MET A 40 -0.898 -10.125 2.628 1.00 0.00 N ATOM 638 CA MET A 40 -1.655 -10.291 3.873 1.00 0.00 C ATOM 639 C MET A 40 -3.146 -10.126 3.618 1.00 0.00 C ATOM 640 O MET A 40 -3.976 -10.833 4.192 1.00 0.00 O ATOM 641 CB MET A 40 -1.201 -9.273 4.921 1.00 0.00 C ATOM 642 CG MET A 40 0.164 -9.572 5.517 1.00 0.00 C ATOM 643 SD MET A 40 0.182 -11.103 6.470 1.00 0.00 S ATOM 644 CE MET A 40 -1.048 -10.735 7.720 1.00 0.00 C ATOM 0 H MET A 40 -0.113 -9.478 2.699 1.00 0.00 H new ATOM 0 HA MET A 40 -1.466 -11.297 4.249 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.179 -8.283 4.466 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.938 -9.239 5.724 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.900 -9.638 4.716 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.465 -8.745 6.159 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.889 -11.376 8.587 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.961 -9.691 8.020 1.00 0.00 H new ATOM 0 HE3 MET A 40 -2.044 -10.914 7.314 1.00 0.00 H new ATOM 654 N VAL A 41 -3.466 -9.183 2.752 1.00 0.00 N ATOM 655 CA VAL A 41 -4.821 -8.989 2.283 1.00 0.00 C ATOM 656 C VAL A 41 -4.889 -9.333 0.802 1.00 0.00 C ATOM 657 O VAL A 41 -4.059 -8.868 0.015 1.00 0.00 O ATOM 658 CB VAL A 41 -5.286 -7.529 2.511 1.00 0.00 C ATOM 659 CG1 VAL A 41 -4.289 -6.535 1.932 1.00 0.00 C ATOM 660 CG2 VAL A 41 -6.676 -7.305 1.932 1.00 0.00 C ATOM 0 H VAL A 41 -2.791 -8.530 2.354 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.486 -9.643 2.847 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.336 -7.360 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.644 -5.519 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.320 -6.669 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.188 -6.703 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.980 -6.273 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.660 -7.504 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.384 -7.978 2.416 1.00 0.00 H new ATOM 670 N ASP A 42 -5.854 -10.163 0.424 1.00 0.00 N ATOM 671 CA ASP A 42 -6.041 -10.515 -0.957 1.00 0.00 C ATOM 672 C ASP A 42 -6.311 -9.270 -1.768 1.00 0.00 C ATOM 673 O ASP A 42 -6.978 -8.336 -1.312 1.00 0.00 O ATOM 674 CB ASP A 42 -7.159 -11.542 -1.108 1.00 0.00 C ATOM 675 CG ASP A 42 -8.320 -11.335 -0.158 1.00 0.00 C ATOM 676 OD1 ASP A 42 -8.123 -11.441 1.071 1.00 0.00 O ATOM 677 OD2 ASP A 42 -9.444 -11.083 -0.640 1.00 0.00 O ATOM 0 H ASP A 42 -6.515 -10.600 1.066 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.129 -10.977 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.531 -11.510 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.747 -12.538 -0.949 1.00 0.00 H new ATOM 682 N ASP A 43 -5.781 -9.263 -2.968 1.00 0.00 N ATOM 683 CA ASP A 43 -5.588 -8.023 -3.698 1.00 0.00 C ATOM 684 C ASP A 43 -6.870 -7.480 -4.301 1.00 0.00 C ATOM 685 O ASP A 43 -7.322 -7.931 -5.353 1.00 0.00 O ATOM 686 CB ASP A 43 -4.530 -8.185 -4.787 1.00 0.00 C ATOM 687 CG ASP A 43 -4.105 -6.845 -5.352 1.00 0.00 C ATOM 688 OD1 ASP A 43 -3.874 -5.916 -4.548 1.00 0.00 O ATOM 689 OD2 ASP A 43 -3.972 -6.718 -6.587 1.00 0.00 O ATOM 0 H ASP A 43 -5.474 -10.100 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.244 -7.295 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.661 -8.701 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.924 -8.810 -5.588 1.00 0.00 H new ATOM 694 N ASP A 44 -7.452 -6.514 -3.608 1.00 0.00 N ATOM 695 CA ASP A 44 -8.506 -5.687 -4.175 1.00 0.00 C ATOM 696 C ASP A 44 -7.871 -4.409 -4.695 1.00 0.00 C ATOM 697 O ASP A 44 -7.580 -3.499 -3.920 1.00 0.00 O ATOM 698 CB ASP A 44 -9.562 -5.348 -3.118 1.00 0.00 C ATOM 699 CG ASP A 44 -10.816 -4.729 -3.711 1.00 0.00 C ATOM 700 OD1 ASP A 44 -10.711 -3.695 -4.407 1.00 0.00 O ATOM 701 OD2 ASP A 44 -11.920 -5.259 -3.470 1.00 0.00 O ATOM 0 H ASP A 44 -7.210 -6.282 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.002 -6.227 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.832 -6.255 -2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.132 -4.659 -2.391 1.00 0.00 H new ATOM 706 N PRO A 45 -7.620 -4.333 -6.005 1.00 0.00 N ATOM 707 CA PRO A 45 -6.912 -3.208 -6.615 1.00 0.00 C ATOM 708 C PRO A 45 -7.649 -1.891 -6.450 1.00 0.00 C ATOM 709 O PRO A 45 -7.031 -0.835 -6.358 1.00 0.00 O ATOM 710 CB PRO A 45 -6.829 -3.593 -8.089 1.00 0.00 C ATOM 711 CG PRO A 45 -7.039 -5.059 -8.116 1.00 0.00 C ATOM 712 CD PRO A 45 -7.993 -5.340 -7.006 1.00 0.00 C ATOM 0 HA PRO A 45 -5.941 -3.045 -6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.588 -3.075 -8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.861 -3.325 -8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.446 -5.381 -9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.100 -5.594 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.030 -5.231 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.882 -6.354 -6.622 1.00 0.00 H new ATOM 720 N LEU A 46 -8.971 -1.956 -6.391 1.00 0.00 N ATOM 721 CA LEU A 46 -9.768 -0.751 -6.252 1.00 0.00 C ATOM 722 C LEU A 46 -9.590 -0.191 -4.845 1.00 0.00 C ATOM 723 O LEU A 46 -9.452 1.017 -4.666 1.00 0.00 O ATOM 724 CB LEU A 46 -11.240 -1.059 -6.542 1.00 0.00 C ATOM 725 CG LEU A 46 -12.103 0.120 -7.014 1.00 0.00 C ATOM 726 CD1 LEU A 46 -12.376 1.099 -5.884 1.00 0.00 C ATOM 727 CD2 LEU A 46 -11.437 0.830 -8.184 1.00 0.00 C ATOM 0 H LEU A 46 -9.508 -2.822 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.435 -0.002 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.283 -1.840 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.688 -1.470 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.062 -0.281 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.989 1.920 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.903 0.587 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.432 1.492 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.061 1.663 -8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.462 1.206 -7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.310 0.130 -9.010 1.00 0.00 H new ATOM 739 N TRP A 47 -9.526 -1.081 -3.860 1.00 0.00 N ATOM 740 CA TRP A 47 -9.287 -0.672 -2.484 1.00 0.00 C ATOM 741 C TRP A 47 -7.827 -0.298 -2.287 1.00 0.00 C ATOM 742 O TRP A 47 -7.525 0.659 -1.588 1.00 0.00 O ATOM 743 CB TRP A 47 -9.693 -1.768 -1.499 1.00 0.00 C ATOM 744 CG TRP A 47 -9.332 -1.450 -0.075 1.00 0.00 C ATOM 745 CD1 TRP A 47 -9.841 -0.453 0.704 1.00 0.00 C ATOM 746 CD2 TRP A 47 -8.381 -2.140 0.732 1.00 0.00 C ATOM 747 NE1 TRP A 47 -9.254 -0.482 1.948 1.00 0.00 N ATOM 748 CE2 TRP A 47 -8.356 -1.513 1.991 1.00 0.00 C ATOM 749 CE3 TRP A 47 -7.550 -3.231 0.504 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -7.524 -1.951 3.025 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -6.727 -3.667 1.523 1.00 0.00 C ATOM 752 CH2 TRP A 47 -6.720 -3.029 2.771 1.00 0.00 C ATOM 0 H TRP A 47 -9.636 -2.087 -3.990 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.905 0.204 -2.284 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.769 -1.928 -1.567 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.213 -2.703 -1.788 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.594 0.255 0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.456 0.161 2.714 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.548 -3.729 -0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.516 -1.458 3.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.078 -4.514 1.356 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.066 -3.396 3.549 1.00 0.00 H new ATOM 763 N LYS A 48 -6.920 -1.039 -2.917 1.00 0.00 N ATOM 764 CA LYS A 48 -5.499 -0.720 -2.826 1.00 0.00 C ATOM 765 C LYS A 48 -5.217 0.647 -3.430 1.00 0.00 C ATOM 766 O LYS A 48 -4.366 1.383 -2.941 1.00 0.00 O ATOM 767 CB LYS A 48 -4.644 -1.782 -3.524 1.00 0.00 C ATOM 768 CG LYS A 48 -4.041 -2.813 -2.591 1.00 0.00 C ATOM 769 CD LYS A 48 -5.113 -3.579 -1.856 1.00 0.00 C ATOM 770 CE LYS A 48 -4.539 -4.751 -1.076 1.00 0.00 C ATOM 771 NZ LYS A 48 -3.636 -5.596 -1.910 1.00 0.00 N ATOM 0 H LYS A 48 -7.139 -1.854 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.233 -0.705 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.257 -2.295 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.839 -1.285 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.422 -3.506 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.387 -2.319 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.634 -2.909 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.852 -3.945 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.988 -4.376 -0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.355 -5.364 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.593 -6.556 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.002 -5.640 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.682 -5.182 -1.918 1.00 0.00 H new ATOM 785 N LYS A 49 -5.962 0.999 -4.470 1.00 0.00 N ATOM 786 CA LYS A 49 -5.821 2.305 -5.075 1.00 0.00 C ATOM 787 C LYS A 49 -6.473 3.371 -4.201 1.00 0.00 C ATOM 788 O LYS A 49 -5.942 4.469 -4.048 1.00 0.00 O ATOM 789 CB LYS A 49 -6.427 2.317 -6.478 1.00 0.00 C ATOM 790 CG LYS A 49 -5.555 1.645 -7.512 1.00 0.00 C ATOM 791 CD LYS A 49 -6.195 1.679 -8.883 1.00 0.00 C ATOM 792 CE LYS A 49 -5.984 0.363 -9.598 1.00 0.00 C ATOM 793 NZ LYS A 49 -6.524 0.380 -10.980 1.00 0.00 N ATOM 0 H LYS A 49 -6.663 0.400 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.758 2.531 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.396 1.819 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.607 3.349 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.585 2.141 -7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.373 0.611 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.262 1.881 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.768 2.492 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.918 0.136 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.464 -0.436 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.356 -0.543 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.546 0.570 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.049 1.124 -11.529 1.00 0.00 H new ATOM 807 N GLU A 50 -7.616 3.028 -3.612 1.00 0.00 N ATOM 808 CA GLU A 50 -8.321 3.928 -2.707 1.00 0.00 C ATOM 809 C GLU A 50 -7.478 4.250 -1.481 1.00 0.00 C ATOM 810 O GLU A 50 -7.323 5.412 -1.107 1.00 0.00 O ATOM 811 CB GLU A 50 -9.647 3.314 -2.267 1.00 0.00 C ATOM 812 CG GLU A 50 -10.747 3.413 -3.307 1.00 0.00 C ATOM 813 CD GLU A 50 -12.100 3.059 -2.736 1.00 0.00 C ATOM 814 OE1 GLU A 50 -12.368 1.864 -2.513 1.00 0.00 O ATOM 815 OE2 GLU A 50 -12.900 3.985 -2.496 1.00 0.00 O ATOM 0 H GLU A 50 -8.075 2.127 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.514 4.854 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.486 2.264 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.979 3.807 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.777 4.426 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.520 2.747 -4.140 1.00 0.00 H new ATOM 822 N MET A 51 -6.910 3.216 -0.879 1.00 0.00 N ATOM 823 CA MET A 51 -6.142 3.375 0.337 1.00 0.00 C ATOM 824 C MET A 51 -4.802 4.033 0.028 1.00 0.00 C ATOM 825 O MET A 51 -4.188 4.654 0.890 1.00 0.00 O ATOM 826 CB MET A 51 -5.950 2.021 1.034 1.00 0.00 C ATOM 827 CG MET A 51 -5.137 1.014 0.234 1.00 0.00 C ATOM 828 SD MET A 51 -4.952 -0.559 1.090 1.00 0.00 S ATOM 829 CE MET A 51 -4.522 -0.002 2.739 1.00 0.00 C ATOM 0 H MET A 51 -6.970 2.256 -1.218 1.00 0.00 H new ATOM 0 HA MET A 51 -6.690 4.024 1.019 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.460 2.186 1.993 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.930 1.593 1.246 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.619 0.845 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.151 1.430 0.028 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.271 -0.862 3.360 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.664 0.669 2.684 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.369 0.527 3.177 1.00 0.00 H new ATOM 839 N PHE A 52 -4.369 3.913 -1.224 1.00 0.00 N ATOM 840 CA PHE A 52 -3.140 4.551 -1.673 1.00 0.00 C ATOM 841 C PHE A 52 -3.364 6.043 -1.901 1.00 0.00 C ATOM 842 O PHE A 52 -2.512 6.864 -1.567 1.00 0.00 O ATOM 843 CB PHE A 52 -2.645 3.892 -2.962 1.00 0.00 C ATOM 844 CG PHE A 52 -1.376 4.493 -3.505 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.280 4.694 -2.681 1.00 0.00 C ATOM 846 CD2 PHE A 52 -1.283 4.858 -4.838 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.884 5.247 -3.178 1.00 0.00 C ATOM 848 CE2 PHE A 52 -0.118 5.409 -5.340 1.00 0.00 C ATOM 849 CZ PHE A 52 0.965 5.604 -4.508 1.00 0.00 C ATOM 0 H PHE A 52 -4.854 3.378 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.383 4.428 -0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.482 2.830 -2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.425 3.968 -3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.337 4.415 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.129 4.711 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.731 5.400 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.056 5.686 -6.382 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.875 6.036 -4.897 1.00 0.00 H new ATOM 859 N GLU A 53 -4.527 6.396 -2.437 1.00 0.00 N ATOM 860 CA GLU A 53 -4.866 7.798 -2.628 1.00 0.00 C ATOM 861 C GLU A 53 -5.045 8.477 -1.283 1.00 0.00 C ATOM 862 O GLU A 53 -4.697 9.644 -1.113 1.00 0.00 O ATOM 863 CB GLU A 53 -6.119 7.941 -3.473 1.00 0.00 C ATOM 864 CG GLU A 53 -5.911 7.494 -4.904 1.00 0.00 C ATOM 865 CD GLU A 53 -4.739 8.184 -5.573 1.00 0.00 C ATOM 866 OE1 GLU A 53 -4.839 9.394 -5.870 1.00 0.00 O ATOM 867 OE2 GLU A 53 -3.714 7.521 -5.820 1.00 0.00 O ATOM 0 H GLU A 53 -5.243 5.737 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.048 8.284 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.922 7.355 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.441 8.982 -3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.751 6.416 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.817 7.691 -5.476 1.00 0.00 H new ATOM 874 N LYS A 54 -5.555 7.725 -0.319 1.00 0.00 N ATOM 875 CA LYS A 54 -5.680 8.221 1.038 1.00 0.00 C ATOM 876 C LYS A 54 -4.325 8.311 1.706 1.00 0.00 C ATOM 877 O LYS A 54 -4.049 9.246 2.444 1.00 0.00 O ATOM 878 CB LYS A 54 -6.602 7.347 1.849 1.00 0.00 C ATOM 879 CG LYS A 54 -6.397 7.456 3.337 1.00 0.00 C ATOM 880 CD LYS A 54 -7.669 7.055 4.006 1.00 0.00 C ATOM 881 CE LYS A 54 -7.810 7.685 5.371 1.00 0.00 C ATOM 882 NZ LYS A 54 -9.111 7.343 6.003 1.00 0.00 N ATOM 0 H LYS A 54 -5.888 6.770 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.109 9.222 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.634 7.609 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.460 6.309 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.578 6.812 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.127 8.476 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.514 7.346 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.702 5.970 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.995 7.350 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.722 8.768 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.172 7.793 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.889 7.685 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.184 6.311 6.110 1.00 0.00 H new ATOM 896 N TYR A 55 -3.466 7.351 1.431 1.00 0.00 N ATOM 897 CA TYR A 55 -2.131 7.370 1.996 1.00 0.00 C ATOM 898 C TYR A 55 -1.371 8.605 1.529 1.00 0.00 C ATOM 899 O TYR A 55 -0.544 9.145 2.253 1.00 0.00 O ATOM 900 CB TYR A 55 -1.367 6.099 1.611 1.00 0.00 C ATOM 901 CG TYR A 55 0.090 6.121 2.005 1.00 0.00 C ATOM 902 CD1 TYR A 55 0.475 6.057 3.340 1.00 0.00 C ATOM 903 CD2 TYR A 55 1.084 6.222 1.041 1.00 0.00 C ATOM 904 CE1 TYR A 55 1.809 6.088 3.698 1.00 0.00 C ATOM 905 CE2 TYR A 55 2.416 6.255 1.390 1.00 0.00 C ATOM 906 CZ TYR A 55 2.775 6.188 2.718 1.00 0.00 C ATOM 907 OH TYR A 55 4.105 6.225 3.065 1.00 0.00 O ATOM 0 H TYR A 55 -3.665 6.554 0.826 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.219 7.407 3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.848 5.241 2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.440 5.955 0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.280 5.982 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.808 6.276 -0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.094 6.034 4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.175 6.333 0.626 1.00 0.00 H new ATOM 0 HH TYR A 55 4.628 6.584 2.318 1.00 0.00 H new ATOM 917 N LEU A 56 -1.664 9.058 0.324 1.00 0.00 N ATOM 918 CA LEU A 56 -0.979 10.208 -0.226 1.00 0.00 C ATOM 919 C LEU A 56 -1.601 11.529 0.229 1.00 0.00 C ATOM 920 O LEU A 56 -0.896 12.517 0.410 1.00 0.00 O ATOM 921 CB LEU A 56 -0.993 10.129 -1.749 1.00 0.00 C ATOM 922 CG LEU A 56 -0.317 8.895 -2.346 1.00 0.00 C ATOM 923 CD1 LEU A 56 -0.373 8.944 -3.864 1.00 0.00 C ATOM 924 CD2 LEU A 56 1.121 8.784 -1.866 1.00 0.00 C ATOM 0 H LEU A 56 -2.369 8.648 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 56 0.046 10.188 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.029 10.155 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.505 11.019 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.856 8.010 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.112 8.059 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.413 8.971 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.142 9.837 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.583 7.899 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.676 9.671 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.137 8.702 -0.779 1.00 0.00 H new ATOM 936 N SER A 57 -2.912 11.543 0.422 1.00 0.00 N ATOM 937 CA SER A 57 -3.609 12.774 0.771 1.00 0.00 C ATOM 938 C SER A 57 -4.042 12.808 2.239 1.00 0.00 C ATOM 939 O SER A 57 -4.783 13.697 2.655 1.00 0.00 O ATOM 940 CB SER A 57 -4.815 12.930 -0.141 1.00 0.00 C ATOM 941 OG SER A 57 -5.685 11.816 -0.035 1.00 0.00 O ATOM 0 H SER A 57 -3.512 10.722 0.344 1.00 0.00 H new ATOM 0 HA SER A 57 -2.918 13.606 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.354 13.842 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.482 13.038 -1.173 1.00 0.00 H new ATOM 0 HG SER A 57 -5.268 11.034 -0.454 1.00 0.00 H new ATOM 947 N ASN A 58 -3.579 11.844 3.019 1.00 0.00 N ATOM 948 CA ASN A 58 -3.984 11.741 4.416 1.00 0.00 C ATOM 949 C ASN A 58 -2.905 11.053 5.233 1.00 0.00 C ATOM 950 O ASN A 58 -2.528 11.543 6.298 1.00 0.00 O ATOM 951 CB ASN A 58 -5.279 10.940 4.540 1.00 0.00 C ATOM 952 CG ASN A 58 -6.077 11.275 5.790 1.00 0.00 C ATOM 953 OD1 ASN A 58 -7.302 11.172 5.791 1.00 0.00 O ATOM 954 ND2 ASN A 58 -5.404 11.675 6.863 1.00 0.00 N ATOM 0 H ASN A 58 -2.925 11.124 2.712 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.141 12.751 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.898 11.125 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.041 9.876 4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.904 11.907 7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.387 11.750 6.829 1.00 0.00 H new ATOM 961 N ARG A 59 -2.445 9.902 4.733 1.00 0.00 N ATOM 962 CA ARG A 59 -1.428 9.094 5.418 1.00 0.00 C ATOM 963 C ARG A 59 -2.033 8.416 6.645 1.00 0.00 C ATOM 964 O ARG A 59 -2.644 7.341 6.486 1.00 0.00 O ATOM 965 CB ARG A 59 -0.206 9.935 5.833 1.00 0.00 C ATOM 966 CG ARG A 59 0.729 10.305 4.689 1.00 0.00 C ATOM 967 CD ARG A 59 1.806 11.272 5.158 1.00 0.00 C ATOM 968 NE ARG A 59 2.891 11.433 4.183 1.00 0.00 N ATOM 969 CZ ARG A 59 3.292 12.609 3.704 1.00 0.00 C ATOM 970 NH1 ARG A 59 2.592 13.712 3.943 1.00 0.00 N ATOM 971 NH2 ARG A 59 4.382 12.677 2.950 1.00 0.00 N ATOM 972 OXT ARG A 59 -1.893 8.951 7.766 1.00 0.00 O ATOM 0 H ARG A 59 -2.763 9.505 3.849 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.085 8.336 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.557 10.851 6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.360 9.383 6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.193 9.404 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.157 10.757 3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.354 12.244 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.221 10.916 6.101 1.00 0.00 H new ATOM 0 HE ARG A 59 3.367 10.593 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.738 13.664 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.909 14.608 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.910 11.830 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.692 13.576 2.581 1.00 0.00 H new