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= -0.168 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.201 0.797 -0.178 1.00 0.00 N ATOM 2 CA GLY A 1 -14.079 -0.290 -0.574 1.00 0.00 C ATOM 3 C GLY A 1 -13.288 -1.347 -1.328 1.00 0.00 C ATOM 4 O GLY A 1 -13.827 -2.367 -1.764 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.749 1.516 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.545 -0.732 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.884 0.092 -1.203 1.00 0.00 H new ATOM 8 N ILE A 2 -11.994 -1.087 -1.453 1.00 0.00 N ATOM 9 CA ILE A 2 -11.023 -1.882 -2.184 1.00 0.00 C ATOM 10 C ILE A 2 -9.679 -1.506 -1.567 1.00 0.00 C ATOM 11 O ILE A 2 -9.554 -0.397 -1.006 1.00 0.00 O ATOM 12 CB ILE A 2 -10.982 -1.505 -3.733 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.362 -1.650 -4.405 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.960 -2.365 -4.485 1.00 0.00 C ATOM 15 CD1 ILE A 2 -12.395 -1.245 -5.864 1.00 0.00 C ATOM 0 H ILE A 2 -11.571 -0.266 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.268 -2.942 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.684 -0.458 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.686 -2.687 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.085 -1.046 -3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.954 -2.086 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.968 -2.205 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.230 -3.417 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -13.403 -1.379 -6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.105 -0.198 -5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.700 -1.866 -6.430 1.00 0.00 H new ATOM 27 N CYS A 3 -8.722 -2.380 -1.617 1.00 0.00 N ATOM 28 CA CYS A 3 -7.415 -2.083 -1.106 1.00 0.00 C ATOM 29 C CYS A 3 -6.445 -1.939 -2.267 1.00 0.00 C ATOM 30 O CYS A 3 -6.633 -2.548 -3.318 1.00 0.00 O ATOM 31 CB CYS A 3 -6.942 -3.182 -0.162 1.00 0.00 C ATOM 32 SG CYS A 3 -8.100 -3.550 1.208 1.00 0.00 S ATOM 0 H CYS A 3 -8.821 -3.316 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.457 -1.149 -0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.778 -4.093 -0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.979 -2.893 0.260 1.00 0.00 H new ATOM 37 N ARG A 4 -5.442 -1.127 -2.090 1.00 0.00 N ATOM 38 CA ARG A 4 -4.434 -0.894 -3.111 1.00 0.00 C ATOM 39 C ARG A 4 -3.059 -1.183 -2.555 1.00 0.00 C ATOM 40 O ARG A 4 -2.646 -0.581 -1.564 1.00 0.00 O ATOM 41 CB ARG A 4 -4.494 0.544 -3.651 1.00 0.00 C ATOM 42 CG ARG A 4 -5.729 0.870 -4.490 1.00 0.00 C ATOM 43 CD ARG A 4 -5.772 0.053 -5.782 1.00 0.00 C ATOM 44 NE ARG A 4 -4.582 0.278 -6.625 1.00 0.00 N ATOM 45 CZ ARG A 4 -4.380 -0.259 -7.838 1.00 0.00 C ATOM 46 NH1 ARG A 4 -5.320 -0.991 -8.410 1.00 0.00 N ATOM 47 NH2 ARG A 4 -3.242 -0.032 -8.486 1.00 0.00 N ATOM 0 H ARG A 4 -5.291 -0.599 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.639 -1.569 -3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.454 1.234 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.605 0.726 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.628 0.673 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.733 1.933 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.846 -1.007 -5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.668 0.314 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.855 0.891 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.205 -1.151 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.160 -1.396 -9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.521 0.551 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.090 -0.441 -9.408 1.00 0.00 H new ATOM 61 N CYS A 5 -2.375 -2.117 -3.160 1.00 0.00 N ATOM 62 CA CYS A 5 -1.055 -2.493 -2.750 1.00 0.00 C ATOM 63 C CYS A 5 -0.009 -1.694 -3.492 1.00 0.00 C ATOM 64 O CYS A 5 0.301 -1.966 -4.659 1.00 0.00 O ATOM 65 CB CYS A 5 -0.861 -3.984 -2.953 1.00 0.00 C ATOM 66 SG CYS A 5 -2.014 -5.025 -1.974 1.00 0.00 S ATOM 0 H CYS A 5 -2.726 -2.642 -3.961 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.937 -2.270 -1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.987 -4.216 -4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.163 -4.246 -2.689 1.00 0.00 H new ATOM 71 N ILE A 6 0.512 -0.693 -2.835 1.00 0.00 N ATOM 72 CA ILE A 6 1.484 0.162 -3.427 1.00 0.00 C ATOM 73 C ILE A 6 2.844 -0.063 -2.810 1.00 0.00 C ATOM 74 O ILE A 6 2.949 -0.474 -1.647 1.00 0.00 O ATOM 75 CB ILE A 6 1.105 1.665 -3.340 1.00 0.00 C ATOM 76 CG1 ILE A 6 0.928 2.118 -1.876 1.00 0.00 C ATOM 77 CG2 ILE A 6 -0.155 1.941 -4.152 1.00 0.00 C ATOM 78 CD1 ILE A 6 0.664 3.604 -1.719 1.00 0.00 C ATOM 0 H ILE A 6 0.269 -0.454 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 6 1.516 -0.100 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 6 1.925 2.245 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.101 1.563 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.825 1.857 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.409 2.999 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.020 1.678 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.978 1.344 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.551 3.844 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.501 4.168 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.250 3.869 -2.251 1.00 0.00 H new ATOM 90 N CYS A 7 3.860 0.174 -3.583 1.00 0.00 N ATOM 91 CA CYS A 7 5.220 0.054 -3.143 1.00 0.00 C ATOM 92 C CYS A 7 5.981 1.301 -3.530 1.00 0.00 C ATOM 93 O CYS A 7 5.705 1.905 -4.576 1.00 0.00 O ATOM 94 CB CYS A 7 5.891 -1.175 -3.771 1.00 0.00 C ATOM 95 SG CYS A 7 5.168 -2.786 -3.298 1.00 0.00 S ATOM 0 H CYS A 7 3.767 0.462 -4.557 1.00 0.00 H new ATOM 0 HA CYS A 7 5.228 -0.066 -2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.845 -1.079 -4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.946 -1.174 -3.495 1.00 0.00 H new ATOM 100 N GLY A 8 6.887 1.718 -2.685 1.00 0.00 N ATOM 101 CA GLY A 8 7.723 2.849 -3.000 1.00 0.00 C ATOM 102 C GLY A 8 8.987 2.364 -3.620 1.00 0.00 C ATOM 103 O GLY A 8 9.055 2.103 -4.829 1.00 0.00 O ATOM 0 H GLY A 8 7.066 1.293 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.204 3.522 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.942 3.418 -2.096 1.00 0.00 H new ATOM 107 N ARG A 9 9.972 2.225 -2.808 1.00 0.00 N ATOM 108 CA ARG A 9 11.208 1.632 -3.195 1.00 0.00 C ATOM 109 C ARG A 9 11.109 0.143 -2.901 1.00 0.00 C ATOM 110 O ARG A 9 10.890 -0.667 -3.812 1.00 0.00 O ATOM 111 CB ARG A 9 12.376 2.256 -2.443 1.00 0.00 C ATOM 112 CG ARG A 9 12.568 3.743 -2.676 1.00 0.00 C ATOM 113 CD ARG A 9 13.830 4.229 -1.989 1.00 0.00 C ATOM 114 NE ARG A 9 15.034 3.622 -2.574 1.00 0.00 N ATOM 115 CZ ARG A 9 16.140 3.273 -1.903 1.00 0.00 C ATOM 116 NH1 ARG A 9 16.147 3.262 -0.571 1.00 0.00 N ATOM 117 NH2 ARG A 9 17.227 2.896 -2.571 1.00 0.00 N ATOM 0 H ARG A 9 9.944 2.526 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 9 11.391 1.801 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.234 2.086 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.291 1.738 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.628 3.945 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.706 4.291 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.894 5.314 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.781 3.990 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 9 15.027 3.451 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.306 3.520 -0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.993 2.995 -0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.217 2.873 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.071 2.630 -2.063 1.00 0.00 H new ATOM 131 N ARG A 10 11.226 -0.219 -1.628 1.00 0.00 N ATOM 132 CA ARG A 10 11.020 -1.596 -1.212 1.00 0.00 C ATOM 133 C ARG A 10 9.989 -1.699 -0.105 1.00 0.00 C ATOM 134 O ARG A 10 9.674 -2.789 0.360 1.00 0.00 O ATOM 135 CB ARG A 10 12.325 -2.324 -0.845 1.00 0.00 C ATOM 136 CG ARG A 10 13.201 -2.612 -2.051 1.00 0.00 C ATOM 137 CD ARG A 10 14.394 -3.495 -1.716 1.00 0.00 C ATOM 138 NE ARG A 10 15.350 -2.857 -0.804 1.00 0.00 N ATOM 139 CZ ARG A 10 16.634 -3.227 -0.676 1.00 0.00 C ATOM 140 NH1 ARG A 10 17.109 -4.243 -1.392 1.00 0.00 N ATOM 141 NH2 ARG A 10 17.435 -2.581 0.165 1.00 0.00 N ATOM 0 H ARG A 10 11.462 0.422 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 10 10.624 -2.116 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.885 -1.718 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.083 -3.262 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.602 -3.096 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.558 -1.670 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.037 -4.422 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.908 -3.765 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 10 15.017 -2.082 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.497 -4.741 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.085 -4.524 -1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.075 -1.802 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.410 -2.865 0.260 1.00 0.00 H new ATOM 155 N ILE A 11 9.446 -0.568 0.310 1.00 0.00 N ATOM 156 CA ILE A 11 8.382 -0.577 1.296 1.00 0.00 C ATOM 157 C ILE A 11 7.081 -0.682 0.534 1.00 0.00 C ATOM 158 O ILE A 11 6.938 -0.075 -0.536 1.00 0.00 O ATOM 159 CB ILE A 11 8.334 0.723 2.148 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.705 1.065 2.736 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.297 0.595 3.270 1.00 0.00 C ATOM 162 CD1 ILE A 11 9.745 2.383 3.487 1.00 0.00 C ATOM 0 H ILE A 11 9.721 0.358 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 11 8.552 -1.408 1.980 1.00 0.00 H new ATOM 0 HB ILE A 11 8.041 1.536 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.009 0.265 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.437 1.096 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.278 1.515 3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.312 0.420 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.562 -0.241 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.751 2.552 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.474 3.195 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.039 2.350 4.317 1.00 0.00 H new ATOM 174 N CYS A 12 6.164 -1.416 1.059 1.00 0.00 N ATOM 175 CA CYS A 12 4.881 -1.619 0.426 1.00 0.00 C ATOM 176 C CYS A 12 3.806 -1.596 1.470 1.00 0.00 C ATOM 177 O CYS A 12 4.079 -1.807 2.655 1.00 0.00 O ATOM 178 CB CYS A 12 4.809 -2.957 -0.303 1.00 0.00 C ATOM 179 SG CYS A 12 6.103 -3.249 -1.562 1.00 0.00 S ATOM 0 H CYS A 12 6.271 -1.903 1.949 1.00 0.00 H new ATOM 0 HA CYS A 12 4.744 -0.819 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.862 -3.756 0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.835 -3.034 -0.786 1.00 0.00 H new ATOM 184 N ARG A 13 2.614 -1.344 1.049 1.00 0.00 N ATOM 185 CA ARG A 13 1.485 -1.311 1.917 1.00 0.00 C ATOM 186 C ARG A 13 0.215 -1.468 1.106 1.00 0.00 C ATOM 187 O ARG A 13 0.037 -0.798 0.079 1.00 0.00 O ATOM 188 CB ARG A 13 1.456 0.012 2.686 1.00 0.00 C ATOM 189 CG ARG A 13 0.308 0.157 3.669 1.00 0.00 C ATOM 190 CD ARG A 13 0.339 -0.912 4.762 1.00 0.00 C ATOM 191 NE ARG A 13 1.574 -0.864 5.560 1.00 0.00 N ATOM 192 CZ ARG A 13 1.923 -1.773 6.491 1.00 0.00 C ATOM 193 NH1 ARG A 13 1.155 -2.831 6.717 1.00 0.00 N ATOM 194 NH2 ARG A 13 3.045 -1.615 7.184 1.00 0.00 N ATOM 0 H ARG A 13 2.391 -1.151 0.072 1.00 0.00 H new ATOM 0 HA ARG A 13 1.557 -2.131 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.395 0.120 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.406 0.831 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.349 1.144 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.638 0.095 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.520 -0.780 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.243 -1.897 4.305 1.00 0.00 H new ATOM 0 HE ARG A 13 2.213 -0.086 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.295 -2.960 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.425 -3.516 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.642 -0.806 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.310 -2.303 7.889 1.00 0.00 H new ATOM 208 N CYS A 14 -0.621 -2.381 1.515 1.00 0.00 N ATOM 209 CA CYS A 14 -1.913 -2.520 0.945 1.00 0.00 C ATOM 210 C CYS A 14 -2.863 -1.678 1.754 1.00 0.00 C ATOM 211 O CYS A 14 -3.282 -2.054 2.849 1.00 0.00 O ATOM 212 CB CYS A 14 -2.329 -3.986 0.908 1.00 0.00 C ATOM 213 SG CYS A 14 -1.218 -5.055 -0.096 1.00 0.00 S ATOM 0 H CYS A 14 -0.415 -3.049 2.258 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.920 -2.176 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.361 -4.370 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.341 -4.056 0.509 1.00 0.00 H new ATOM 218 N ILE A 15 -3.152 -0.512 1.238 1.00 0.00 N ATOM 219 CA ILE A 15 -3.963 0.450 1.936 1.00 0.00 C ATOM 220 C ILE A 15 -5.420 0.204 1.601 1.00 0.00 C ATOM 221 O ILE A 15 -5.765 0.019 0.434 1.00 0.00 O ATOM 222 CB ILE A 15 -3.576 1.906 1.547 1.00 0.00 C ATOM 223 CG1 ILE A 15 -2.062 2.110 1.685 1.00 0.00 C ATOM 224 CG2 ILE A 15 -4.309 2.900 2.446 1.00 0.00 C ATOM 225 CD1 ILE A 15 -1.579 3.483 1.268 1.00 0.00 C ATOM 0 H ILE A 15 -2.831 -0.203 0.321 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.796 0.333 3.007 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.865 2.076 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.777 1.937 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.549 1.359 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.032 3.916 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.385 2.772 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.034 2.722 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.498 3.543 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.830 3.655 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.061 4.241 1.885 1.00 0.00 H new ATOM 237 N CYS A 16 -6.247 0.177 2.598 1.00 0.00 N ATOM 238 CA CYS A 16 -7.657 -0.060 2.414 1.00 0.00 C ATOM 239 C CYS A 16 -8.442 1.184 2.821 1.00 0.00 C ATOM 240 O CYS A 16 -7.848 2.179 3.287 1.00 0.00 O ATOM 241 CB CYS A 16 -8.092 -1.273 3.243 1.00 0.00 C ATOM 242 SG CYS A 16 -7.174 -2.810 2.856 1.00 0.00 S ATOM 0 H CYS A 16 -5.969 0.318 3.569 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.859 -0.271 1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.963 -1.042 4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.156 -1.447 3.082 1.00 0.00 H new ATOM 247 N GLY A 17 -9.740 1.156 2.620 1.00 0.00 N ATOM 248 CA GLY A 17 -10.571 2.270 3.008 1.00 0.00 C ATOM 249 C GLY A 17 -11.202 2.925 1.813 1.00 0.00 C ATOM 250 O GLY A 17 -11.643 4.071 1.877 1.00 0.00 O ATOM 0 H GLY A 17 -10.240 0.377 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.349 1.926 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.972 3.001 3.551 1.00 0.00 H new ATOM 254 N ARG A 18 -11.240 2.197 0.711 1.00 0.00 N ATOM 255 CA ARG A 18 -11.796 2.711 -0.535 1.00 0.00 C ATOM 256 C ARG A 18 -12.840 1.738 -1.036 1.00 0.00 C ATOM 257 O ARG A 18 -13.284 1.809 -2.189 1.00 0.00 O ATOM 258 CB ARG A 18 -10.702 2.789 -1.598 1.00 0.00 C ATOM 259 CG ARG A 18 -9.432 3.463 -1.156 1.00 0.00 C ATOM 260 CD ARG A 18 -8.413 3.465 -2.270 1.00 0.00 C ATOM 261 NE ARG A 18 -7.117 3.967 -1.829 1.00 0.00 N ATOM 262 CZ ARG A 18 -6.103 4.268 -2.643 1.00 0.00 C ATOM 263 NH1 ARG A 18 -6.261 4.216 -3.970 1.00 0.00 N ATOM 264 NH2 ARG A 18 -4.937 4.643 -2.137 1.00 0.00 N ATOM 0 H ARG A 18 -10.890 1.241 0.651 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.222 3.698 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.463 1.778 -1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.095 3.321 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.646 4.487 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.025 2.948 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.297 2.452 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.778 4.079 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.975 4.097 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.161 3.945 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.482 4.447 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.815 4.701 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.162 4.873 -2.759 1.00 0.00 H new TER 278 ARG A 18