USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=1 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+ -172:sc= 0 (180deg=-0.0548) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.115 0.623 2.317 1.00 0.00 N ATOM 2 CA ARG A 1 10.902 1.854 2.467 1.00 0.00 C ATOM 3 C ARG A 1 11.043 2.607 1.145 1.00 0.00 C ATOM 4 O ARG A 1 10.620 3.753 1.036 1.00 0.00 O ATOM 5 CB ARG A 1 12.287 1.563 3.061 1.00 0.00 C ATOM 6 CG ARG A 1 12.245 1.018 4.481 1.00 0.00 C ATOM 7 CD ARG A 1 11.576 1.995 5.434 1.00 0.00 C ATOM 8 NE ARG A 1 11.522 1.478 6.802 1.00 0.00 N ATOM 9 CZ ARG A 1 10.973 2.132 7.827 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.424 3.329 7.638 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.973 1.588 9.040 1.00 0.00 N ATOM 0 H2 ARG A 1 9.928 0.214 3.255 1.00 0.00 H new ATOM 0 HA ARG A 1 10.354 2.493 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.803 0.846 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.876 2.480 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.706 0.071 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.259 0.812 4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.120 2.940 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.565 2.206 5.086 1.00 0.00 H new ATOM 0 HE ARG A 1 11.929 0.561 6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.422 3.748 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.005 3.827 8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.393 0.670 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.553 2.088 9.823 1.00 0.00 H new ATOM 25 N ARG A 2 11.628 1.960 0.146 1.00 0.00 N ATOM 26 CA ARG A 2 11.806 2.581 -1.161 1.00 0.00 C ATOM 27 C ARG A 2 10.494 2.589 -1.932 1.00 0.00 C ATOM 28 O ARG A 2 10.132 3.581 -2.558 1.00 0.00 O ATOM 29 CB ARG A 2 12.885 1.850 -1.965 1.00 0.00 C ATOM 30 CG ARG A 2 14.278 1.985 -1.373 1.00 0.00 C ATOM 31 CD ARG A 2 15.322 1.301 -2.243 1.00 0.00 C ATOM 32 NE ARG A 2 16.683 1.482 -1.726 1.00 0.00 N ATOM 33 CZ ARG A 2 17.343 2.645 -1.725 1.00 0.00 C ATOM 34 NH1 ARG A 2 16.790 3.734 -2.255 1.00 0.00 N ATOM 35 NH2 ARG A 2 18.564 2.716 -1.204 1.00 0.00 N ATOM 0 H ARG A 2 11.987 1.008 0.214 1.00 0.00 H new ATOM 0 HA ARG A 2 12.127 3.611 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.626 0.793 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.893 2.237 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 2 14.528 3.040 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.294 1.550 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 2 15.098 0.236 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.265 1.699 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 2 17.158 0.665 -1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.857 3.684 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 2 17.299 4.618 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 2 18.997 1.883 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.067 3.603 -1.203 1.00 0.00 H new ATOM 49 N ILE A 3 9.782 1.475 -1.871 1.00 0.00 N ATOM 50 CA ILE A 3 8.503 1.347 -2.548 1.00 0.00 C ATOM 51 C ILE A 3 7.386 1.277 -1.518 1.00 0.00 C ATOM 52 O ILE A 3 7.490 0.542 -0.541 1.00 0.00 O ATOM 53 CB ILE A 3 8.460 0.088 -3.443 1.00 0.00 C ATOM 54 CG1 ILE A 3 9.624 0.102 -4.440 1.00 0.00 C ATOM 55 CG2 ILE A 3 7.127 -0.003 -4.179 1.00 0.00 C ATOM 56 CD1 ILE A 3 9.723 -1.151 -5.284 1.00 0.00 C ATOM 0 H ILE A 3 10.071 0.643 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 3 8.369 2.221 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 3 8.560 -0.791 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.516 0.964 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.557 0.234 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.117 -0.896 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.314 -0.057 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.996 0.879 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.570 -1.065 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.864 -2.016 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.806 -1.275 -5.860 1.00 0.00 H new ATOM 68 N CYS A 4 6.330 2.039 -1.731 1.00 0.00 N ATOM 69 CA CYS A 4 5.206 2.054 -0.809 1.00 0.00 C ATOM 70 C CYS A 4 3.917 2.231 -1.599 1.00 0.00 C ATOM 71 O CYS A 4 3.747 3.226 -2.300 1.00 0.00 O ATOM 72 CB CYS A 4 5.382 3.193 0.198 1.00 0.00 C ATOM 73 SG CYS A 4 4.796 2.813 1.881 1.00 0.00 S ATOM 0 H CYS A 4 6.225 2.657 -2.535 1.00 0.00 H new ATOM 0 HA CYS A 4 5.160 1.113 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.438 3.458 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.849 4.070 -0.169 1.00 0.00 H new ATOM 78 N ARG A 5 3.020 1.254 -1.515 1.00 0.00 N ATOM 79 CA ARG A 5 1.765 1.317 -2.258 1.00 0.00 C ATOM 80 C ARG A 5 0.588 0.862 -1.405 1.00 0.00 C ATOM 81 O ARG A 5 -0.206 0.022 -1.833 1.00 0.00 O ATOM 82 CB ARG A 5 1.845 0.463 -3.529 1.00 0.00 C ATOM 83 CG ARG A 5 2.910 0.919 -4.515 1.00 0.00 C ATOM 84 CD ARG A 5 2.884 0.094 -5.791 1.00 0.00 C ATOM 85 NE ARG A 5 1.640 0.281 -6.544 1.00 0.00 N ATOM 86 CZ ARG A 5 1.354 -0.352 -7.684 1.00 0.00 C ATOM 87 NH1 ARG A 5 2.214 -1.230 -8.194 1.00 0.00 N ATOM 88 NH2 ARG A 5 0.208 -0.109 -8.312 1.00 0.00 N ATOM 0 H ARG A 5 3.136 0.416 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 5 1.604 2.358 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.044 -0.571 -3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.875 0.477 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.755 1.970 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.893 0.841 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.732 0.370 -6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.002 -0.961 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 5 0.950 0.935 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.094 -1.420 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.994 -1.713 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.454 0.562 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.009 -0.594 -9.183 1.00 0.00 H new ATOM 102 N CYS A 6 0.477 1.407 -0.207 1.00 0.00 N ATOM 103 CA CYS A 6 -0.612 1.046 0.689 1.00 0.00 C ATOM 104 C CYS A 6 -1.852 1.881 0.398 1.00 0.00 C ATOM 105 O CYS A 6 -1.777 3.102 0.288 1.00 0.00 O ATOM 106 CB CYS A 6 -0.180 1.219 2.142 1.00 0.00 C ATOM 107 SG CYS A 6 1.293 0.237 2.570 1.00 0.00 S ATOM 0 H CYS A 6 1.125 2.100 0.169 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.862 -0.002 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.025 2.273 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.003 0.932 2.796 1.00 0.00 H new ATOM 112 N ILE A 7 -2.989 1.208 0.275 1.00 0.00 N ATOM 113 CA ILE A 7 -4.260 1.869 -0.002 1.00 0.00 C ATOM 114 C ILE A 7 -5.377 1.162 0.751 1.00 0.00 C ATOM 115 O ILE A 7 -5.463 -0.068 0.733 1.00 0.00 O ATOM 116 CB ILE A 7 -4.613 1.859 -1.509 1.00 0.00 C ATOM 117 CG1 ILE A 7 -3.434 2.347 -2.360 1.00 0.00 C ATOM 118 CG2 ILE A 7 -5.841 2.721 -1.771 1.00 0.00 C ATOM 119 CD1 ILE A 7 -3.663 2.227 -3.851 1.00 0.00 C ATOM 0 H ILE A 7 -3.057 0.194 0.364 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.158 2.905 0.322 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.833 0.830 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.230 3.390 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.545 1.777 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.077 2.704 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.687 2.331 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.639 3.746 -1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.785 2.592 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.837 1.182 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.532 2.820 -4.134 1.00 0.00 H new ATOM 131 N CYS A 8 -6.225 1.939 1.402 1.00 0.00 N ATOM 132 CA CYS A 8 -7.344 1.400 2.167 1.00 0.00 C ATOM 133 C CYS A 8 -8.506 2.386 2.171 1.00 0.00 C ATOM 134 O CYS A 8 -8.299 3.599 2.181 1.00 0.00 O ATOM 135 CB CYS A 8 -6.918 1.088 3.608 1.00 0.00 C ATOM 136 SG CYS A 8 -5.697 -0.261 3.755 1.00 0.00 S ATOM 0 H CYS A 8 -6.161 2.957 1.418 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.666 0.473 1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.500 1.990 4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.803 0.826 4.187 1.00 0.00 H new ATOM 141 N GLY A 9 -9.723 1.860 2.154 1.00 0.00 N ATOM 142 CA GLY A 9 -10.898 2.703 2.152 1.00 0.00 C ATOM 143 C GLY A 9 -12.101 2.018 2.768 1.00 0.00 C ATOM 144 O GLY A 9 -11.964 1.231 3.703 1.00 0.00 O ATOM 0 H GLY A 9 -9.916 0.859 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.685 3.620 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.133 2.992 1.128 1.00 0.00 H new ATOM 148 N ARG A 10 -13.284 2.320 2.245 1.00 0.00 N ATOM 149 CA ARG A 10 -14.525 1.751 2.747 1.00 0.00 C ATOM 150 C ARG A 10 -14.788 0.353 2.191 1.00 0.00 C ATOM 151 O ARG A 10 -15.873 0.075 1.685 1.00 0.00 O ATOM 152 CB ARG A 10 -15.707 2.669 2.419 1.00 0.00 C ATOM 153 CG ARG A 10 -15.591 4.062 3.016 1.00 0.00 C ATOM 154 CD ARG A 10 -16.853 4.879 2.779 1.00 0.00 C ATOM 155 NE ARG A 10 -17.172 5.010 1.354 1.00 0.00 N ATOM 156 CZ ARG A 10 -18.223 5.685 0.883 1.00 0.00 C ATOM 157 NH1 ARG A 10 -19.052 6.301 1.721 1.00 0.00 N ATOM 158 NH2 ARG A 10 -18.444 5.744 -0.427 1.00 0.00 N ATOM 0 H ARG A 10 -13.408 2.964 1.464 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.419 1.663 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.798 2.755 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.625 2.205 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.402 3.985 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.736 4.577 2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.690 4.408 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.728 5.871 3.214 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.553 4.558 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.886 6.258 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.854 6.816 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.810 5.273 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.247 6.260 -0.786 1.00 0.00 H new ATOM 172 N GLY A 11 -13.801 -0.522 2.292 1.00 0.00 N ATOM 173 CA GLY A 11 -13.965 -1.880 1.805 1.00 0.00 C ATOM 174 C GLY A 11 -12.648 -2.528 1.447 1.00 0.00 C ATOM 175 O GLY A 11 -12.299 -3.583 1.970 1.00 0.00 O ATOM 0 H GLY A 11 -12.889 -0.319 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.466 -2.478 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.613 -1.873 0.929 1.00 0.00 H new ATOM 179 N ILE A 12 -11.912 -1.887 0.558 1.00 0.00 N ATOM 180 CA ILE A 12 -10.622 -2.392 0.126 1.00 0.00 C ATOM 181 C ILE A 12 -9.519 -1.870 1.041 1.00 0.00 C ATOM 182 O ILE A 12 -9.534 -0.709 1.442 1.00 0.00 O ATOM 183 CB ILE A 12 -10.316 -1.978 -1.332 1.00 0.00 C ATOM 184 CG1 ILE A 12 -11.467 -2.393 -2.255 1.00 0.00 C ATOM 185 CG2 ILE A 12 -9.006 -2.598 -1.805 1.00 0.00 C ATOM 186 CD1 ILE A 12 -11.296 -1.935 -3.688 1.00 0.00 C ATOM 0 H ILE A 12 -12.188 -1.009 0.118 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.658 -3.480 0.177 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.213 -0.893 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.560 -3.479 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.400 -1.988 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.810 -2.294 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.191 -2.260 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.079 -3.684 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.149 -2.266 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.234 -0.847 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.381 -2.362 -4.100 1.00 0.00 H new ATOM 198 N CYS A 13 -8.569 -2.736 1.360 1.00 0.00 N ATOM 199 CA CYS A 13 -7.457 -2.370 2.217 1.00 0.00 C ATOM 200 C CYS A 13 -6.290 -3.321 2.000 1.00 0.00 C ATOM 201 O CYS A 13 -6.393 -4.524 2.236 1.00 0.00 O ATOM 202 CB CYS A 13 -7.887 -2.385 3.689 1.00 0.00 C ATOM 203 SG CYS A 13 -6.660 -1.681 4.844 1.00 0.00 S ATOM 0 H CYS A 13 -8.548 -3.703 1.035 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.139 -1.360 1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.820 -1.830 3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.095 -3.414 3.983 1.00 0.00 H new ATOM 208 N ARG A 14 -5.184 -2.761 1.535 1.00 0.00 N ATOM 209 CA ARG A 14 -3.974 -3.521 1.268 1.00 0.00 C ATOM 210 C ARG A 14 -2.759 -2.615 1.428 1.00 0.00 C ATOM 211 O ARG A 14 -2.731 -1.503 0.899 1.00 0.00 O ATOM 212 CB ARG A 14 -4.014 -4.121 -0.141 1.00 0.00 C ATOM 213 CG ARG A 14 -4.471 -3.140 -1.211 1.00 0.00 C ATOM 214 CD ARG A 14 -4.162 -3.649 -2.610 1.00 0.00 C ATOM 215 NE ARG A 14 -2.722 -3.834 -2.822 1.00 0.00 N ATOM 216 CZ ARG A 14 -1.820 -2.849 -2.760 1.00 0.00 C ATOM 217 NH1 ARG A 14 -2.208 -1.593 -2.566 1.00 0.00 N ATOM 218 NH2 ARG A 14 -0.529 -3.121 -2.911 1.00 0.00 N ATOM 0 H ARG A 14 -5.101 -1.765 1.332 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.905 -4.342 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.021 -4.489 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.682 -4.982 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.543 -2.970 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.980 -2.179 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.677 -4.596 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.549 -2.944 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.387 -4.775 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.199 -1.376 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.515 -0.846 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.226 -4.081 -3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.159 -2.370 -2.864 1.00 0.00 H new ATOM 232 N CYS A 15 -1.765 -3.077 2.166 1.00 0.00 N ATOM 233 CA CYS A 15 -0.576 -2.292 2.399 1.00 0.00 C ATOM 234 C CYS A 15 0.674 -3.060 1.986 1.00 0.00 C ATOM 235 O CYS A 15 0.906 -4.179 2.438 1.00 0.00 O ATOM 236 CB CYS A 15 -0.504 -1.892 3.879 1.00 0.00 C ATOM 237 SG CYS A 15 0.801 -0.684 4.312 1.00 0.00 S ATOM 0 H CYS A 15 -1.762 -3.994 2.613 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.626 -1.390 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.469 -1.477 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.351 -2.793 4.473 1.00 0.00 H new ATOM 242 N ILE A 16 1.483 -2.429 1.143 1.00 0.00 N ATOM 243 CA ILE A 16 2.729 -2.996 0.674 1.00 0.00 C ATOM 244 C ILE A 16 3.765 -1.890 0.706 1.00 0.00 C ATOM 245 O ILE A 16 3.597 -0.863 0.047 1.00 0.00 O ATOM 246 CB ILE A 16 2.616 -3.561 -0.766 1.00 0.00 C ATOM 247 CG1 ILE A 16 1.660 -4.759 -0.812 1.00 0.00 C ATOM 248 CG2 ILE A 16 3.989 -3.954 -1.301 1.00 0.00 C ATOM 249 CD1 ILE A 16 2.130 -5.954 -0.005 1.00 0.00 C ATOM 0 H ILE A 16 1.285 -1.502 0.766 1.00 0.00 H new ATOM 0 HA ILE A 16 3.005 -3.831 1.317 1.00 0.00 H new ATOM 0 HB ILE A 16 2.209 -2.776 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.683 -4.446 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.526 -5.064 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.886 -4.348 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.638 -3.078 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.426 -4.717 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.400 -6.759 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.092 -6.295 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.236 -5.667 1.041 1.00 0.00 H new ATOM 261 N CYS A 17 4.804 -2.069 1.498 1.00 0.00 N ATOM 262 CA CYS A 17 5.817 -1.044 1.628 1.00 0.00 C ATOM 263 C CYS A 17 7.165 -1.648 1.999 1.00 0.00 C ATOM 264 O CYS A 17 7.246 -2.568 2.812 1.00 0.00 O ATOM 265 CB CYS A 17 5.380 -0.038 2.698 1.00 0.00 C ATOM 266 SG CYS A 17 6.225 1.572 2.621 1.00 0.00 S ATOM 0 H CYS A 17 4.967 -2.907 2.056 1.00 0.00 H new ATOM 0 HA CYS A 17 5.930 -0.539 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.306 0.126 2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.552 -0.476 3.681 1.00 0.00 H new ATOM 271 N GLY A 18 8.214 -1.122 1.389 1.00 0.00 N ATOM 272 CA GLY A 18 9.556 -1.599 1.643 1.00 0.00 C ATOM 273 C GLY A 18 10.543 -0.459 1.679 1.00 0.00 C ATOM 274 O GLY A 18 11.644 -0.553 1.134 1.00 0.00 O ATOM 0 H GLY A 18 8.158 -0.361 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.581 -2.135 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.845 -2.309 0.868 1.00 0.00 H new TER 278 GLY A 18