USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 142 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 NoAdj-H: A 1 ARG H1 : A 1 ARG N : A 18 GLY C :(NH2R) USER MOD NoAdj-H: A 1 ARG H3 : A 1 ARG N : A 18 GLY C :(NH2R) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.117 -0.879 2.280 1.00 0.00 N ATOM 2 CA ARG A 1 12.425 -0.549 1.697 1.00 0.00 C ATOM 3 C ARG A 1 12.479 0.877 1.139 1.00 0.00 C ATOM 4 O ARG A 1 13.396 1.631 1.461 1.00 0.00 O ATOM 5 CB ARG A 1 12.812 -1.561 0.608 1.00 0.00 C ATOM 6 CG ARG A 1 14.197 -1.332 0.018 1.00 0.00 C ATOM 7 CD ARG A 1 15.282 -1.414 1.082 1.00 0.00 C ATOM 8 NE ARG A 1 16.620 -1.215 0.522 1.00 0.00 N ATOM 9 CZ ARG A 1 17.737 -1.180 1.250 1.00 0.00 C ATOM 10 NH1 ARG A 1 17.677 -1.310 2.573 1.00 0.00 N ATOM 11 NH2 ARG A 1 18.915 -1.011 0.656 1.00 0.00 N ATOM 0 H2 ARG A 1 11.134 -1.854 2.642 1.00 0.00 H new ATOM 0 HA ARG A 1 13.149 -0.606 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.768 -2.566 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.075 -1.518 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.390 -2.074 -0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.231 -0.354 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 1 15.095 -0.662 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 1 15.236 -2.387 1.572 1.00 0.00 H new ATOM 0 HE ARG A 1 16.703 -1.096 -0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 1 16.775 -1.437 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 1 18.533 -1.283 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 1 18.965 -0.908 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 1 19.768 -0.984 1.214 1.00 0.00 H new ATOM 25 N ARG A 2 11.507 1.238 0.310 1.00 0.00 N ATOM 26 CA ARG A 2 11.456 2.570 -0.285 1.00 0.00 C ATOM 27 C ARG A 2 10.158 2.762 -1.061 1.00 0.00 C ATOM 28 O ARG A 2 9.600 3.857 -1.094 1.00 0.00 O ATOM 29 CB ARG A 2 12.655 2.799 -1.214 1.00 0.00 C ATOM 30 CG ARG A 2 12.722 4.205 -1.792 1.00 0.00 C ATOM 31 CD ARG A 2 12.804 5.258 -0.695 1.00 0.00 C ATOM 32 NE ARG A 2 12.782 6.624 -1.228 1.00 0.00 N ATOM 33 CZ ARG A 2 13.788 7.188 -1.906 1.00 0.00 C ATOM 34 NH1 ARG A 2 14.928 6.528 -2.090 1.00 0.00 N ATOM 35 NH2 ARG A 2 13.653 8.422 -2.386 1.00 0.00 N ATOM 0 H ARG A 2 10.740 0.625 0.033 1.00 0.00 H new ATOM 0 HA ARG A 2 11.496 3.299 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 2 13.574 2.598 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.611 2.081 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.591 4.290 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.842 4.388 -2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.970 5.126 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.718 5.110 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 2 11.943 7.182 -1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.039 5.587 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.691 6.963 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.784 8.935 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.418 8.855 -2.903 1.00 0.00 H new ATOM 49 N ILE A 3 9.685 1.694 -1.687 1.00 0.00 N ATOM 50 CA ILE A 3 8.455 1.760 -2.458 1.00 0.00 C ATOM 51 C ILE A 3 7.254 1.478 -1.566 1.00 0.00 C ATOM 52 O ILE A 3 7.244 0.512 -0.801 1.00 0.00 O ATOM 53 CB ILE A 3 8.479 0.776 -3.655 1.00 0.00 C ATOM 54 CG1 ILE A 3 7.134 0.794 -4.396 1.00 0.00 C ATOM 55 CG2 ILE A 3 8.827 -0.635 -3.193 1.00 0.00 C ATOM 56 CD1 ILE A 3 7.107 -0.075 -5.635 1.00 0.00 C ATOM 0 H ILE A 3 10.132 0.777 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 3 8.370 2.770 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 3 9.254 1.102 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.350 0.463 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.899 1.820 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.837 -1.307 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.810 -0.632 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.082 -0.977 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.125 -0.010 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.867 0.268 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.310 -1.110 -5.358 1.00 0.00 H new ATOM 68 N CYS A 4 6.256 2.342 -1.648 1.00 0.00 N ATOM 69 CA CYS A 4 5.066 2.204 -0.839 1.00 0.00 C ATOM 70 C CYS A 4 3.823 2.552 -1.649 1.00 0.00 C ATOM 71 O CYS A 4 3.704 3.652 -2.193 1.00 0.00 O ATOM 72 CB CYS A 4 5.182 3.097 0.393 1.00 0.00 C ATOM 73 SG CYS A 4 6.611 2.691 1.450 1.00 0.00 S ATOM 0 H CYS A 4 6.251 3.149 -2.272 1.00 0.00 H new ATOM 0 HA CYS A 4 4.971 1.168 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.260 4.136 0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.268 3.012 0.981 1.00 0.00 H new ATOM 78 N ARG A 5 2.906 1.597 -1.738 1.00 0.00 N ATOM 79 CA ARG A 5 1.668 1.771 -2.493 1.00 0.00 C ATOM 80 C ARG A 5 0.478 1.245 -1.699 1.00 0.00 C ATOM 81 O ARG A 5 -0.301 0.436 -2.194 1.00 0.00 O ATOM 82 CB ARG A 5 1.750 1.042 -3.840 1.00 0.00 C ATOM 83 CG ARG A 5 2.680 1.690 -4.861 1.00 0.00 C ATOM 84 CD ARG A 5 2.116 3.000 -5.395 1.00 0.00 C ATOM 85 NE ARG A 5 2.256 4.100 -4.438 1.00 0.00 N ATOM 86 CZ ARG A 5 1.748 5.320 -4.619 1.00 0.00 C ATOM 87 NH1 ARG A 5 1.033 5.593 -5.706 1.00 0.00 N ATOM 88 NH2 ARG A 5 1.955 6.264 -3.707 1.00 0.00 N ATOM 0 H ARG A 5 2.997 0.684 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 5 1.531 2.837 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.082 0.019 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.749 0.983 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.651 1.874 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.845 1.001 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.627 3.261 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.062 2.866 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 5 2.775 3.922 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.871 4.868 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.646 6.527 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.501 6.055 -2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.568 7.198 -3.843 1.00 0.00 H new ATOM 102 N CYS A 6 0.349 1.699 -0.464 1.00 0.00 N ATOM 103 CA CYS A 6 -0.746 1.264 0.389 1.00 0.00 C ATOM 104 C CYS A 6 -2.043 1.964 0.009 1.00 0.00 C ATOM 105 O CYS A 6 -2.104 3.192 -0.043 1.00 0.00 O ATOM 106 CB CYS A 6 -0.413 1.536 1.852 1.00 0.00 C ATOM 107 SG CYS A 6 1.176 0.814 2.376 1.00 0.00 S ATOM 0 H CYS A 6 0.986 2.367 -0.030 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.882 0.192 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.387 2.613 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.210 1.137 2.479 1.00 0.00 H new ATOM 112 N ILE A 7 -3.072 1.172 -0.240 1.00 0.00 N ATOM 113 CA ILE A 7 -4.383 1.693 -0.602 1.00 0.00 C ATOM 114 C ILE A 7 -5.429 1.070 0.306 1.00 0.00 C ATOM 115 O ILE A 7 -5.441 -0.146 0.503 1.00 0.00 O ATOM 116 CB ILE A 7 -4.757 1.381 -2.068 1.00 0.00 C ATOM 117 CG1 ILE A 7 -3.638 1.803 -3.032 1.00 0.00 C ATOM 118 CG2 ILE A 7 -6.067 2.064 -2.443 1.00 0.00 C ATOM 119 CD1 ILE A 7 -3.396 3.298 -3.082 1.00 0.00 C ATOM 0 H ILE A 7 -3.025 0.154 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.349 2.776 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.887 0.302 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.714 1.306 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.885 1.452 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.314 1.833 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.864 1.706 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.961 3.143 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.591 3.513 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.306 3.803 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.116 3.655 -2.091 1.00 0.00 H new ATOM 131 N CYS A 8 -6.295 1.899 0.857 1.00 0.00 N ATOM 132 CA CYS A 8 -7.343 1.433 1.755 1.00 0.00 C ATOM 133 C CYS A 8 -8.561 2.345 1.677 1.00 0.00 C ATOM 134 O CYS A 8 -8.431 3.553 1.487 1.00 0.00 O ATOM 135 CB CYS A 8 -6.829 1.372 3.201 1.00 0.00 C ATOM 136 SG CYS A 8 -5.487 0.164 3.473 1.00 0.00 S ATOM 0 H CYS A 8 -6.296 2.907 0.699 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.634 0.430 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.475 2.362 3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.662 1.126 3.860 1.00 0.00 H new ATOM 141 N GLY A 9 -9.739 1.756 1.820 1.00 0.00 N ATOM 142 CA GLY A 9 -10.968 2.515 1.764 1.00 0.00 C ATOM 143 C GLY A 9 -12.064 1.878 2.596 1.00 0.00 C ATOM 144 O GLY A 9 -11.786 1.245 3.612 1.00 0.00 O ATOM 0 H GLY A 9 -9.864 0.756 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.785 3.529 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.298 2.595 0.728 1.00 0.00 H new ATOM 148 N ARG A 10 -13.308 2.047 2.168 1.00 0.00 N ATOM 149 CA ARG A 10 -14.451 1.501 2.879 1.00 0.00 C ATOM 150 C ARG A 10 -14.676 0.020 2.548 1.00 0.00 C ATOM 151 O ARG A 10 -15.788 -0.391 2.207 1.00 0.00 O ATOM 152 CB ARG A 10 -15.710 2.315 2.558 1.00 0.00 C ATOM 153 CG ARG A 10 -16.888 2.003 3.468 1.00 0.00 C ATOM 154 CD ARG A 10 -18.182 2.594 2.931 1.00 0.00 C ATOM 155 NE ARG A 10 -19.354 2.149 3.693 1.00 0.00 N ATOM 156 CZ ARG A 10 -19.791 0.884 3.737 1.00 0.00 C ATOM 157 NH1 ARG A 10 -19.162 -0.075 3.060 1.00 0.00 N ATOM 158 NH2 ARG A 10 -20.864 0.580 4.462 1.00 0.00 N ATOM 0 H ARG A 10 -13.550 2.564 1.323 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.240 1.569 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.475 3.377 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.000 2.126 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.995 0.923 3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.693 2.398 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.123 3.682 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.302 2.311 1.885 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.870 2.850 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.339 0.151 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.503 -1.035 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.351 1.310 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -21.199 -0.383 4.498 1.00 0.00 H new ATOM 172 N GLY A 11 -13.625 -0.776 2.657 1.00 0.00 N ATOM 173 CA GLY A 11 -13.742 -2.196 2.378 1.00 0.00 C ATOM 174 C GLY A 11 -12.416 -2.825 2.011 1.00 0.00 C ATOM 175 O GLY A 11 -11.966 -3.769 2.655 1.00 0.00 O ATOM 0 H GLY A 11 -12.693 -0.468 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.151 -2.702 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.450 -2.346 1.563 1.00 0.00 H new ATOM 179 N ILE A 12 -11.786 -2.290 0.979 1.00 0.00 N ATOM 180 CA ILE A 12 -10.500 -2.791 0.525 1.00 0.00 C ATOM 181 C ILE A 12 -9.374 -2.078 1.263 1.00 0.00 C ATOM 182 O ILE A 12 -9.450 -0.876 1.505 1.00 0.00 O ATOM 183 CB ILE A 12 -10.329 -2.594 -1.001 1.00 0.00 C ATOM 184 CG1 ILE A 12 -11.493 -3.242 -1.761 1.00 0.00 C ATOM 185 CG2 ILE A 12 -8.999 -3.166 -1.479 1.00 0.00 C ATOM 186 CD1 ILE A 12 -11.621 -4.735 -1.536 1.00 0.00 C ATOM 0 H ILE A 12 -12.147 -1.505 0.437 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.460 -3.859 0.739 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.332 -1.523 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.423 -2.759 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.366 -3.055 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.903 -3.015 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.180 -2.660 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.961 -4.233 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.467 -5.118 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.708 -5.232 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.781 -4.931 -0.476 1.00 0.00 H new ATOM 198 N CYS A 13 -8.340 -2.825 1.619 1.00 0.00 N ATOM 199 CA CYS A 13 -7.202 -2.265 2.328 1.00 0.00 C ATOM 200 C CYS A 13 -5.993 -3.180 2.193 1.00 0.00 C ATOM 201 O CYS A 13 -6.028 -4.343 2.596 1.00 0.00 O ATOM 202 CB CYS A 13 -7.551 -2.059 3.807 1.00 0.00 C ATOM 203 SG CYS A 13 -6.281 -1.175 4.777 1.00 0.00 S ATOM 0 H CYS A 13 -8.267 -3.824 1.427 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.956 -1.298 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.488 -1.505 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.724 -3.033 4.264 1.00 0.00 H new ATOM 208 N ARG A 14 -4.930 -2.645 1.617 1.00 0.00 N ATOM 209 CA ARG A 14 -3.703 -3.393 1.418 1.00 0.00 C ATOM 210 C ARG A 14 -2.512 -2.443 1.423 1.00 0.00 C ATOM 211 O ARG A 14 -2.430 -1.533 0.598 1.00 0.00 O ATOM 212 CB ARG A 14 -3.757 -4.166 0.095 1.00 0.00 C ATOM 213 CG ARG A 14 -2.553 -5.064 -0.140 1.00 0.00 C ATOM 214 CD ARG A 14 -2.461 -6.161 0.909 1.00 0.00 C ATOM 215 NE ARG A 14 -1.249 -6.967 0.756 1.00 0.00 N ATOM 216 CZ ARG A 14 -0.937 -8.002 1.539 1.00 0.00 C ATOM 217 NH1 ARG A 14 -1.760 -8.371 2.516 1.00 0.00 N ATOM 218 NH2 ARG A 14 0.196 -8.670 1.339 1.00 0.00 N ATOM 0 H ARG A 14 -4.894 -1.684 1.276 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.591 -4.109 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.661 -4.774 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.834 -3.455 -0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.620 -5.512 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.642 -4.465 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.476 -5.714 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.337 -6.806 0.837 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.603 -6.723 0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.631 -7.863 2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.520 -9.162 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.826 -8.391 0.587 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.434 -9.461 1.937 1.00 0.00 H new ATOM 232 N CYS A 15 -1.601 -2.648 2.359 1.00 0.00 N ATOM 233 CA CYS A 15 -0.435 -1.804 2.466 1.00 0.00 C ATOM 234 C CYS A 15 0.770 -2.477 1.816 1.00 0.00 C ATOM 235 O CYS A 15 1.168 -3.574 2.208 1.00 0.00 O ATOM 236 CB CYS A 15 -0.148 -1.482 3.936 1.00 0.00 C ATOM 237 SG CYS A 15 0.806 0.052 4.224 1.00 0.00 S ATOM 0 H CYS A 15 -1.651 -3.393 3.054 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.629 -0.869 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.097 -1.406 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.397 -2.318 4.375 1.00 0.00 H new ATOM 242 N ILE A 16 1.348 -1.806 0.830 1.00 0.00 N ATOM 243 CA ILE A 16 2.511 -2.304 0.126 1.00 0.00 C ATOM 244 C ILE A 16 3.639 -1.293 0.295 1.00 0.00 C ATOM 245 O ILE A 16 4.009 -0.590 -0.640 1.00 0.00 O ATOM 246 CB ILE A 16 2.227 -2.531 -1.382 1.00 0.00 C ATOM 247 CG1 ILE A 16 0.977 -3.400 -1.576 1.00 0.00 C ATOM 248 CG2 ILE A 16 3.428 -3.179 -2.066 1.00 0.00 C ATOM 249 CD1 ILE A 16 1.114 -4.807 -1.029 1.00 0.00 C ATOM 0 H ILE A 16 1.019 -0.899 0.498 1.00 0.00 H new ATOM 0 HA ILE A 16 2.788 -3.271 0.547 1.00 0.00 H new ATOM 0 HB ILE A 16 2.048 -1.558 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.130 -2.914 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.747 -3.456 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.207 -3.329 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.298 -2.530 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.637 -4.141 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.190 -5.357 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.939 -5.314 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.312 -4.763 0.042 1.00 0.00 H new ATOM 261 N CYS A 17 4.143 -1.194 1.513 1.00 0.00 N ATOM 262 CA CYS A 17 5.196 -0.244 1.831 1.00 0.00 C ATOM 263 C CYS A 17 6.396 -0.966 2.430 1.00 0.00 C ATOM 264 O CYS A 17 6.253 -1.721 3.392 1.00 0.00 O ATOM 265 CB CYS A 17 4.651 0.796 2.821 1.00 0.00 C ATOM 266 SG CYS A 17 5.787 2.164 3.228 1.00 0.00 S ATOM 0 H CYS A 17 3.838 -1.763 2.302 1.00 0.00 H new ATOM 0 HA CYS A 17 5.521 0.257 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.734 1.218 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.380 0.285 3.745 1.00 0.00 H new ATOM 271 N GLY A 18 7.571 -0.745 1.857 1.00 0.00 N ATOM 272 CA GLY A 18 8.762 -1.397 2.357 1.00 0.00 C ATOM 273 C GLY A 18 10.004 -1.048 1.562 1.00 0.00 C ATOM 274 O GLY A 18 9.953 -0.940 0.335 1.00 0.00 O ATOM 0 H GLY A 18 7.719 -0.128 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.913 -1.116 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.615 -2.477 2.336 1.00 0.00 H new TER 278 GLY A 18