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 GLY H1 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0929 (180deg=-0.0929) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.420 -1.374 -0.310 1.00 0.00 N ATOM 2 CA GLY A 1 -13.414 -2.672 -0.970 1.00 0.00 C ATOM 3 C GLY A 1 -12.149 -2.924 -1.762 1.00 0.00 C ATOM 4 O GLY A 1 -11.842 -4.068 -2.128 1.00 0.00 O ATOM 0 H2 GLY A 1 -14.309 -1.256 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.530 -3.455 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.274 -2.739 -1.637 1.00 0.00 H new ATOM 8 N ILE A 2 -11.410 -1.879 -2.010 1.00 0.00 N ATOM 9 CA ILE A 2 -10.219 -1.938 -2.805 1.00 0.00 C ATOM 10 C ILE A 2 -9.098 -1.432 -1.938 1.00 0.00 C ATOM 11 O ILE A 2 -9.341 -0.618 -1.036 1.00 0.00 O ATOM 12 CB ILE A 2 -10.346 -1.021 -4.069 1.00 0.00 C ATOM 13 CG1 ILE A 2 -11.626 -1.334 -4.867 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.124 -1.153 -4.975 1.00 0.00 C ATOM 15 CD1 ILE A 2 -11.707 -2.749 -5.402 1.00 0.00 C ATOM 0 H ILE A 2 -11.624 -0.946 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.042 -2.957 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.405 0.007 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.490 -1.151 -4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -11.696 -0.639 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.243 -0.504 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.230 -0.862 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.026 -2.187 -5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.641 -2.878 -5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.866 -2.934 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.673 -3.454 -4.572 1.00 0.00 H new ATOM 27 N CYS A 3 -7.913 -1.909 -2.149 1.00 0.00 N ATOM 28 CA CYS A 3 -6.814 -1.443 -1.380 1.00 0.00 C ATOM 29 C CYS A 3 -5.847 -0.677 -2.250 1.00 0.00 C ATOM 30 O CYS A 3 -5.711 -0.940 -3.452 1.00 0.00 O ATOM 31 CB CYS A 3 -6.117 -2.582 -0.639 1.00 0.00 C ATOM 32 SG CYS A 3 -7.241 -3.642 0.370 1.00 0.00 S ATOM 0 H CYS A 3 -7.686 -2.618 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.202 -0.763 -0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.602 -3.210 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.354 -2.160 0.014 1.00 0.00 H new ATOM 37 N ARG A 4 -5.232 0.292 -1.660 1.00 0.00 N ATOM 38 CA ARG A 4 -4.258 1.109 -2.307 1.00 0.00 C ATOM 39 C ARG A 4 -2.909 0.785 -1.715 1.00 0.00 C ATOM 40 O ARG A 4 -2.603 1.174 -0.584 1.00 0.00 O ATOM 41 CB ARG A 4 -4.594 2.593 -2.123 1.00 0.00 C ATOM 42 CG ARG A 4 -3.635 3.537 -2.823 1.00 0.00 C ATOM 43 CD ARG A 4 -4.063 4.980 -2.659 1.00 0.00 C ATOM 44 NE ARG A 4 -3.183 5.907 -3.386 1.00 0.00 N ATOM 45 CZ ARG A 4 -3.250 7.242 -3.321 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.159 7.825 -2.559 1.00 0.00 N ATOM 47 NH2 ARG A 4 -2.413 7.981 -4.028 1.00 0.00 N ATOM 0 H ARG A 4 -5.397 0.546 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.249 0.909 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.602 2.775 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.601 2.823 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.632 3.405 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.586 3.288 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.086 5.097 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.065 5.239 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.466 5.501 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.812 7.257 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.208 8.843 -2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.716 7.534 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.464 8.999 -3.978 1.00 0.00 H new ATOM 61 N CYS A 5 -2.153 0.018 -2.426 1.00 0.00 N ATOM 62 CA CYS A 5 -0.869 -0.381 -2.000 1.00 0.00 C ATOM 63 C CYS A 5 0.185 0.521 -2.568 1.00 0.00 C ATOM 64 O CYS A 5 0.523 0.448 -3.757 1.00 0.00 O ATOM 65 CB CYS A 5 -0.620 -1.834 -2.368 1.00 0.00 C ATOM 66 SG CYS A 5 -1.766 -3.003 -1.560 1.00 0.00 S ATOM 0 H CYS A 5 -2.423 -0.353 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.818 -0.297 -0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.704 -1.945 -3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.403 -2.097 -2.099 1.00 0.00 H new ATOM 71 N ILE A 6 0.643 1.421 -1.736 1.00 0.00 N ATOM 72 CA ILE A 6 1.706 2.299 -2.079 1.00 0.00 C ATOM 73 C ILE A 6 2.965 1.492 -1.947 1.00 0.00 C ATOM 74 O ILE A 6 3.323 1.078 -0.846 1.00 0.00 O ATOM 75 CB ILE A 6 1.796 3.503 -1.117 1.00 0.00 C ATOM 76 CG1 ILE A 6 0.446 4.231 -0.981 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.899 4.471 -1.553 1.00 0.00 C ATOM 78 CD1 ILE A 6 -0.097 4.794 -2.281 1.00 0.00 C ATOM 0 H ILE A 6 0.277 1.558 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 6 1.549 2.695 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 6 2.054 3.112 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.286 3.538 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.557 5.045 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.942 5.310 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.858 3.953 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.684 4.840 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.050 5.289 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.612 5.514 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.244 3.984 -2.995 1.00 0.00 H new ATOM 90 N CYS A 7 3.581 1.239 -3.033 1.00 0.00 N ATOM 91 CA CYS A 7 4.744 0.405 -3.086 1.00 0.00 C ATOM 92 C CYS A 7 5.878 1.092 -3.768 1.00 0.00 C ATOM 93 O CYS A 7 5.680 1.883 -4.692 1.00 0.00 O ATOM 94 CB CYS A 7 4.449 -0.920 -3.788 1.00 0.00 C ATOM 95 SG CYS A 7 3.380 -2.055 -2.853 1.00 0.00 S ATOM 0 H CYS A 7 3.295 1.608 -3.940 1.00 0.00 H new ATOM 0 HA CYS A 7 5.031 0.199 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.980 -0.710 -4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.393 -1.422 -3.998 1.00 0.00 H new ATOM 100 N GLY A 8 7.044 0.830 -3.276 1.00 0.00 N ATOM 101 CA GLY A 8 8.234 1.315 -3.864 1.00 0.00 C ATOM 102 C GLY A 8 9.005 0.143 -4.370 1.00 0.00 C ATOM 103 O GLY A 8 8.416 -0.780 -4.946 1.00 0.00 O ATOM 0 H GLY A 8 7.192 0.263 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.005 2.002 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.821 1.872 -3.134 1.00 0.00 H new ATOM 107 N ARG A 9 10.282 0.114 -4.118 1.00 0.00 N ATOM 108 CA ARG A 9 11.083 -0.995 -4.548 1.00 0.00 C ATOM 109 C ARG A 9 10.917 -2.162 -3.594 1.00 0.00 C ATOM 110 O ARG A 9 10.745 -3.298 -4.020 1.00 0.00 O ATOM 111 CB ARG A 9 12.565 -0.624 -4.657 1.00 0.00 C ATOM 112 CG ARG A 9 12.876 0.478 -5.659 1.00 0.00 C ATOM 113 CD ARG A 9 14.376 0.606 -5.888 1.00 0.00 C ATOM 114 NE ARG A 9 15.127 0.924 -4.661 1.00 0.00 N ATOM 115 CZ ARG A 9 16.358 0.467 -4.371 1.00 0.00 C ATOM 116 NH1 ARG A 9 16.990 -0.346 -5.208 1.00 0.00 N ATOM 117 NH2 ARG A 9 16.945 0.835 -3.255 1.00 0.00 N ATOM 0 H ARG A 9 10.790 0.844 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 9 10.736 -1.280 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.920 -0.313 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.129 -1.515 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.378 0.265 -6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.479 1.426 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.754 -0.327 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.558 1.384 -6.629 1.00 0.00 H new ATOM 0 HE ARG A 9 14.679 1.537 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.542 -0.629 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.924 -0.688 -4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.467 1.466 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.879 0.490 -3.032 1.00 0.00 H new ATOM 131 N ARG A 10 10.954 -1.875 -2.306 1.00 0.00 N ATOM 132 CA ARG A 10 10.891 -2.932 -1.300 1.00 0.00 C ATOM 133 C ARG A 10 9.817 -2.668 -0.264 1.00 0.00 C ATOM 134 O ARG A 10 9.409 -3.566 0.468 1.00 0.00 O ATOM 135 CB ARG A 10 12.250 -3.074 -0.609 1.00 0.00 C ATOM 136 CG ARG A 10 13.391 -3.310 -1.574 1.00 0.00 C ATOM 137 CD ARG A 10 14.731 -3.318 -0.886 1.00 0.00 C ATOM 138 NE ARG A 10 15.817 -3.452 -1.860 1.00 0.00 N ATOM 139 CZ ARG A 10 17.022 -2.886 -1.760 1.00 0.00 C ATOM 140 NH1 ARG A 10 17.329 -2.130 -0.712 1.00 0.00 N ATOM 141 NH2 ARG A 10 17.921 -3.079 -2.712 1.00 0.00 N ATOM 0 H ARG A 10 11.027 -0.930 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 10 10.635 -3.859 -1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.452 -2.172 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.205 -3.902 0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.241 -4.262 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.383 -2.534 -2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.858 -2.397 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.773 -4.141 -0.172 1.00 0.00 H new ATOM 0 HE ARG A 10 15.637 -4.026 -2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.641 -1.977 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.252 -1.702 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.692 -3.659 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.842 -2.648 -2.638 1.00 0.00 H new ATOM 155 N ILE A 11 9.368 -1.456 -0.202 1.00 0.00 N ATOM 156 CA ILE A 11 8.414 -1.052 0.817 1.00 0.00 C ATOM 157 C ILE A 11 7.031 -0.928 0.205 1.00 0.00 C ATOM 158 O ILE A 11 6.889 -0.530 -0.953 1.00 0.00 O ATOM 159 CB ILE A 11 8.799 0.325 1.425 1.00 0.00 C ATOM 160 CG1 ILE A 11 10.285 0.362 1.806 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.929 0.642 2.651 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.781 1.728 2.228 1.00 0.00 C ATOM 0 H ILE A 11 9.641 -0.712 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 11 8.422 -1.810 1.600 1.00 0.00 H new ATOM 0 HB ILE A 11 8.620 1.086 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.458 -0.343 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.876 0.019 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.216 1.611 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.880 0.669 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.073 -0.129 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.840 1.669 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.642 2.434 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.219 2.066 3.098 1.00 0.00 H new ATOM 174 N CYS A 12 6.050 -1.261 0.975 1.00 0.00 N ATOM 175 CA CYS A 12 4.664 -1.141 0.608 1.00 0.00 C ATOM 176 C CYS A 12 3.858 -0.733 1.793 1.00 0.00 C ATOM 177 O CYS A 12 4.311 -0.831 2.934 1.00 0.00 O ATOM 178 CB CYS A 12 4.061 -2.428 0.051 1.00 0.00 C ATOM 179 SG CYS A 12 4.678 -2.957 -1.571 1.00 0.00 S ATOM 0 H CYS A 12 6.188 -1.639 1.912 1.00 0.00 H new ATOM 0 HA CYS A 12 4.632 -0.390 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.243 -3.230 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.981 -2.300 -0.017 1.00 0.00 H new ATOM 184 N ARG A 13 2.687 -0.267 1.511 1.00 0.00 N ATOM 185 CA ARG A 13 1.725 0.108 2.492 1.00 0.00 C ATOM 186 C ARG A 13 0.356 0.002 1.850 1.00 0.00 C ATOM 187 O ARG A 13 0.028 0.779 0.953 1.00 0.00 O ATOM 188 CB ARG A 13 1.977 1.540 2.957 1.00 0.00 C ATOM 189 CG ARG A 13 1.171 1.955 4.172 1.00 0.00 C ATOM 190 CD ARG A 13 1.509 1.090 5.383 1.00 0.00 C ATOM 191 NE ARG A 13 2.951 1.103 5.678 1.00 0.00 N ATOM 192 CZ ARG A 13 3.634 0.107 6.259 1.00 0.00 C ATOM 193 NH1 ARG A 13 3.005 -1.003 6.634 1.00 0.00 N ATOM 194 NH2 ARG A 13 4.952 0.225 6.457 1.00 0.00 N ATOM 0 H ARG A 13 2.362 -0.132 0.554 1.00 0.00 H new ATOM 0 HA ARG A 13 1.793 -0.544 3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.037 1.654 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.751 2.221 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.370 3.002 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.107 1.874 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.957 1.449 6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.185 0.066 5.200 1.00 0.00 H new ATOM 0 HE ARG A 13 3.474 1.940 5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.001 -1.097 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.526 -1.760 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.438 1.073 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.471 -0.533 6.899 1.00 0.00 H new ATOM 208 N CYS A 14 -0.390 -0.991 2.227 1.00 0.00 N ATOM 209 CA CYS A 14 -1.704 -1.190 1.692 1.00 0.00 C ATOM 210 C CYS A 14 -2.776 -0.581 2.571 1.00 0.00 C ATOM 211 O CYS A 14 -3.008 -1.032 3.690 1.00 0.00 O ATOM 212 CB CYS A 14 -1.954 -2.669 1.463 1.00 0.00 C ATOM 213 SG CYS A 14 -0.859 -3.423 0.213 1.00 0.00 S ATOM 0 H CYS A 14 -0.105 -1.688 2.915 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.757 -0.673 0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.829 -3.199 2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.990 -2.808 1.155 1.00 0.00 H new ATOM 218 N ILE A 15 -3.385 0.472 2.076 1.00 0.00 N ATOM 219 CA ILE A 15 -4.491 1.115 2.750 1.00 0.00 C ATOM 220 C ILE A 15 -5.762 0.613 2.087 1.00 0.00 C ATOM 221 O ILE A 15 -5.940 0.788 0.888 1.00 0.00 O ATOM 222 CB ILE A 15 -4.456 2.696 2.648 1.00 0.00 C ATOM 223 CG1 ILE A 15 -3.178 3.322 3.266 1.00 0.00 C ATOM 224 CG2 ILE A 15 -5.691 3.316 3.295 1.00 0.00 C ATOM 225 CD1 ILE A 15 -1.917 3.183 2.433 1.00 0.00 C ATOM 0 H ILE A 15 -3.127 0.909 1.191 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.436 0.871 3.811 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.447 2.922 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.362 4.382 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.003 2.863 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.640 4.401 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.587 2.954 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.730 3.036 4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.083 3.653 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.698 2.127 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.063 3.669 1.468 1.00 0.00 H new ATOM 237 N CYS A 16 -6.605 -0.041 2.823 1.00 0.00 N ATOM 238 CA CYS A 16 -7.828 -0.563 2.263 1.00 0.00 C ATOM 239 C CYS A 16 -8.982 0.391 2.470 1.00 0.00 C ATOM 240 O CYS A 16 -9.366 0.702 3.617 1.00 0.00 O ATOM 241 CB CYS A 16 -8.116 -1.968 2.781 1.00 0.00 C ATOM 242 SG CYS A 16 -6.821 -3.185 2.313 1.00 0.00 S ATOM 0 H CYS A 16 -6.475 -0.230 3.817 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.697 -0.652 1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.203 -1.938 3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.078 -2.302 2.393 1.00 0.00 H new ATOM 247 N GLY A 17 -9.528 0.865 1.372 1.00 0.00 N ATOM 248 CA GLY A 17 -10.563 1.840 1.423 1.00 0.00 C ATOM 249 C GLY A 17 -11.913 1.221 1.268 1.00 0.00 C ATOM 250 O GLY A 17 -12.372 0.480 2.140 1.00 0.00 O ATOM 0 H GLY A 17 -9.260 0.579 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.514 2.373 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.408 2.577 0.635 1.00 0.00 H new ATOM 254 N ARG A 18 -12.532 1.481 0.157 1.00 0.00 N ATOM 255 CA ARG A 18 -13.863 0.982 -0.097 1.00 0.00 C ATOM 256 C ARG A 18 -13.841 -0.291 -0.934 1.00 0.00 C ATOM 257 O ARG A 18 -14.096 -0.275 -2.136 1.00 0.00 O ATOM 258 CB ARG A 18 -14.777 2.074 -0.701 1.00 0.00 C ATOM 259 CG ARG A 18 -14.168 2.811 -1.891 1.00 0.00 C ATOM 260 CD ARG A 18 -15.121 3.830 -2.490 1.00 0.00 C ATOM 261 NE ARG A 18 -16.318 3.203 -3.056 1.00 0.00 N ATOM 262 CZ ARG A 18 -16.844 3.496 -4.256 1.00 0.00 C ATOM 263 NH1 ARG A 18 -16.340 4.484 -4.993 1.00 0.00 N ATOM 264 NH2 ARG A 18 -17.883 2.808 -4.706 1.00 0.00 N ATOM 0 H ARG A 18 -12.138 2.041 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.298 0.710 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.715 1.615 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.020 2.799 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.254 3.314 -1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.885 2.088 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.416 4.544 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.606 4.393 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.787 2.491 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.548 5.025 -4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.746 4.699 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.281 2.058 -4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.285 3.028 -5.617 1.00 0.00 H new TER 278 ARG A 18