USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 137 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= -0.267 (180deg=-0.267) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.283 0.055 2.421 1.00 0.00 N ATOM 2 CA GLY A 1 -11.638 -1.307 2.117 1.00 0.00 C ATOM 3 C GLY A 1 -10.978 -1.820 0.852 1.00 0.00 C ATOM 4 O GLY A 1 -10.955 -3.033 0.604 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.763 0.352 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.355 -1.946 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.720 -1.380 2.012 1.00 0.00 H new ATOM 8 N PHE A 2 -10.441 -0.922 0.057 1.00 0.00 N ATOM 9 CA PHE A 2 -9.794 -1.307 -1.176 1.00 0.00 C ATOM 10 C PHE A 2 -8.317 -1.431 -0.909 1.00 0.00 C ATOM 11 O PHE A 2 -7.735 -0.580 -0.235 1.00 0.00 O ATOM 12 CB PHE A 2 -10.063 -0.274 -2.272 1.00 0.00 C ATOM 13 CG PHE A 2 -9.529 -0.641 -3.633 1.00 0.00 C ATOM 14 CD1 PHE A 2 -10.266 -1.450 -4.480 1.00 0.00 C ATOM 15 CD2 PHE A 2 -8.295 -0.171 -4.067 1.00 0.00 C ATOM 16 CE1 PHE A 2 -9.791 -1.780 -5.732 1.00 0.00 C ATOM 17 CE2 PHE A 2 -7.816 -0.501 -5.319 1.00 0.00 C ATOM 18 CZ PHE A 2 -8.565 -1.306 -6.151 1.00 0.00 C ATOM 0 H PHE A 2 -10.440 0.081 0.243 1.00 0.00 H new ATOM 0 HA PHE A 2 -10.190 -2.261 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -11.139 -0.119 -2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.625 0.677 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -11.225 -1.828 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.705 0.459 -3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -10.379 -2.409 -6.384 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.856 -0.129 -5.646 1.00 0.00 H new ATOM 0 HZ PHE A 2 -8.192 -1.565 -7.131 1.00 0.00 H new ATOM 28 N CYS A 3 -7.715 -2.462 -1.406 1.00 0.00 N ATOM 29 CA CYS A 3 -6.327 -2.696 -1.146 1.00 0.00 C ATOM 30 C CYS A 3 -5.493 -2.556 -2.402 1.00 0.00 C ATOM 31 O CYS A 3 -5.946 -2.875 -3.514 1.00 0.00 O ATOM 32 CB CYS A 3 -6.136 -4.055 -0.488 1.00 0.00 C ATOM 33 SG CYS A 3 -7.176 -4.300 1.007 1.00 0.00 S ATOM 0 H CYS A 3 -8.163 -3.161 -1.998 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.975 -1.932 -0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.366 -4.836 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.087 -4.173 -0.215 1.00 0.00 H new ATOM 38 N ARG A 4 -4.308 -2.029 -2.229 1.00 0.00 N ATOM 39 CA ARG A 4 -3.362 -1.829 -3.297 1.00 0.00 C ATOM 40 C ARG A 4 -1.973 -1.979 -2.697 1.00 0.00 C ATOM 41 O ARG A 4 -1.769 -1.648 -1.529 1.00 0.00 O ATOM 42 CB ARG A 4 -3.553 -0.427 -3.896 1.00 0.00 C ATOM 43 CG ARG A 4 -2.658 -0.118 -5.083 1.00 0.00 C ATOM 44 CD ARG A 4 -2.916 1.276 -5.623 1.00 0.00 C ATOM 45 NE ARG A 4 -2.690 2.322 -4.609 1.00 0.00 N ATOM 46 CZ ARG A 4 -1.792 3.316 -4.705 1.00 0.00 C ATOM 47 NH1 ARG A 4 -0.986 3.406 -5.758 1.00 0.00 N ATOM 48 NH2 ARG A 4 -1.694 4.215 -3.734 1.00 0.00 N ATOM 0 H ARG A 4 -3.966 -1.719 -1.319 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.504 -2.554 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.593 -0.317 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.370 0.314 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.613 -0.207 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.829 -0.852 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.266 1.457 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.943 1.339 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.263 2.288 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.045 2.715 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.309 4.166 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.300 4.151 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.012 4.971 -3.805 1.00 0.00 H new ATOM 62 N CYS A 5 -1.045 -2.488 -3.438 1.00 0.00 N ATOM 63 CA CYS A 5 0.261 -2.705 -2.898 1.00 0.00 C ATOM 64 C CYS A 5 1.248 -1.678 -3.385 1.00 0.00 C ATOM 65 O CYS A 5 1.163 -1.194 -4.523 1.00 0.00 O ATOM 66 CB CYS A 5 0.756 -4.108 -3.177 1.00 0.00 C ATOM 67 SG CYS A 5 -0.369 -5.443 -2.621 1.00 0.00 S ATOM 0 H CYS A 5 -1.163 -2.761 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 5 0.176 -2.592 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.921 -4.214 -4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.723 -4.241 -2.691 1.00 0.00 H new ATOM 72 N LEU A 6 2.173 -1.342 -2.520 1.00 0.00 N ATOM 73 CA LEU A 6 3.182 -0.363 -2.808 1.00 0.00 C ATOM 74 C LEU A 6 4.550 -0.938 -2.512 1.00 0.00 C ATOM 75 O LEU A 6 4.770 -1.520 -1.446 1.00 0.00 O ATOM 76 CB LEU A 6 2.980 0.895 -1.941 1.00 0.00 C ATOM 77 CG LEU A 6 1.657 1.654 -2.107 1.00 0.00 C ATOM 78 CD1 LEU A 6 1.579 2.796 -1.108 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.520 2.193 -3.522 1.00 0.00 C ATOM 0 H LEU A 6 2.244 -1.747 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 6 3.105 -0.093 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.074 0.603 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.795 1.586 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 6 0.838 0.959 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.636 3.327 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.637 2.398 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.408 3.483 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.575 2.728 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.345 2.873 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.542 1.365 -4.230 1.00 0.00 H new ATOM 91 N CYS A 7 5.434 -0.814 -3.445 1.00 0.00 N ATOM 92 CA CYS A 7 6.801 -1.172 -3.244 1.00 0.00 C ATOM 93 C CYS A 7 7.616 0.093 -3.193 1.00 0.00 C ATOM 94 O CYS A 7 7.627 0.887 -4.132 1.00 0.00 O ATOM 95 CB CYS A 7 7.308 -2.154 -4.303 1.00 0.00 C ATOM 96 SG CYS A 7 6.528 -3.807 -4.210 1.00 0.00 S ATOM 0 H CYS A 7 5.227 -0.458 -4.378 1.00 0.00 H new ATOM 0 HA CYS A 7 6.902 -1.704 -2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.128 -1.733 -5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.387 -2.265 -4.195 1.00 0.00 H new ATOM 101 N ARG A 8 8.224 0.316 -2.072 1.00 0.00 N ATOM 102 CA ARG A 8 8.955 1.521 -1.815 1.00 0.00 C ATOM 103 C ARG A 8 10.418 1.198 -1.653 1.00 0.00 C ATOM 104 O ARG A 8 10.844 0.768 -0.572 1.00 0.00 O ATOM 105 CB ARG A 8 8.429 2.127 -0.521 1.00 0.00 C ATOM 106 CG ARG A 8 6.941 2.418 -0.532 1.00 0.00 C ATOM 107 CD ARG A 8 6.453 2.785 0.852 1.00 0.00 C ATOM 108 NE ARG A 8 6.647 1.679 1.811 1.00 0.00 N ATOM 109 CZ ARG A 8 6.157 1.655 3.055 1.00 0.00 C ATOM 110 NH1 ARG A 8 5.442 2.677 3.515 1.00 0.00 N ATOM 111 NH2 ARG A 8 6.397 0.612 3.829 1.00 0.00 N ATOM 0 H ARG A 8 8.228 -0.344 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 8 8.833 2.220 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.649 1.447 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.968 3.053 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.731 3.233 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.398 1.545 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.986 3.669 1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.396 3.047 0.808 1.00 0.00 H new ATOM 0 HE ARG A 8 7.194 0.875 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.265 3.485 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.071 2.653 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.953 -0.167 3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.027 0.586 4.779 1.00 0.00 H new ATOM 125 N ARG A 9 11.165 1.371 -2.731 1.00 0.00 N ATOM 126 CA ARG A 9 12.613 1.160 -2.770 1.00 0.00 C ATOM 127 C ARG A 9 12.958 -0.262 -2.273 1.00 0.00 C ATOM 128 O ARG A 9 13.872 -0.476 -1.465 1.00 0.00 O ATOM 129 CB ARG A 9 13.324 2.258 -1.950 1.00 0.00 C ATOM 130 CG ARG A 9 14.836 2.346 -2.142 1.00 0.00 C ATOM 131 CD ARG A 9 15.426 3.456 -1.283 1.00 0.00 C ATOM 132 NE ARG A 9 14.833 4.780 -1.588 1.00 0.00 N ATOM 133 CZ ARG A 9 14.235 5.591 -0.695 1.00 0.00 C ATOM 134 NH1 ARG A 9 14.044 5.187 0.561 1.00 0.00 N ATOM 135 NH2 ARG A 9 13.802 6.787 -1.071 1.00 0.00 N ATOM 0 H ARG A 9 10.778 1.669 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 9 12.970 1.236 -3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.886 3.222 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.119 2.088 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.296 1.393 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.064 2.532 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.265 3.222 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.504 3.499 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 9 14.882 5.103 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.352 4.259 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.590 5.806 1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.922 7.092 -2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.349 7.401 -0.394 1.00 0.00 H new ATOM 149 N GLY A 10 12.170 -1.213 -2.716 1.00 0.00 N ATOM 150 CA GLY A 10 12.377 -2.588 -2.355 1.00 0.00 C ATOM 151 C GLY A 10 11.425 -3.063 -1.276 1.00 0.00 C ATOM 152 O GLY A 10 11.089 -4.250 -1.214 1.00 0.00 O ATOM 0 H GLY A 10 11.373 -1.053 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.257 -3.213 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.403 -2.718 -2.010 1.00 0.00 H new ATOM 156 N ASP A 11 10.974 -2.152 -0.442 1.00 0.00 N ATOM 157 CA ASP A 11 10.085 -2.494 0.665 1.00 0.00 C ATOM 158 C ASP A 11 8.651 -2.552 0.202 1.00 0.00 C ATOM 159 O ASP A 11 8.022 -1.518 -0.049 1.00 0.00 O ATOM 160 CB ASP A 11 10.233 -1.500 1.820 1.00 0.00 C ATOM 161 CG ASP A 11 9.287 -1.796 2.968 1.00 0.00 C ATOM 162 OD1 ASP A 11 9.535 -2.764 3.721 1.00 0.00 O ATOM 163 OD2 ASP A 11 8.293 -1.067 3.142 1.00 0.00 O ATOM 0 H ASP A 11 11.206 -1.161 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 11 10.372 -3.481 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.260 -1.523 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.048 -0.491 1.452 1.00 0.00 H new ATOM 168 N CYS A 12 8.145 -3.736 0.047 1.00 0.00 N ATOM 169 CA CYS A 12 6.792 -3.901 -0.392 1.00 0.00 C ATOM 170 C CYS A 12 5.875 -4.126 0.764 1.00 0.00 C ATOM 171 O CYS A 12 6.171 -4.897 1.695 1.00 0.00 O ATOM 172 CB CYS A 12 6.655 -5.014 -1.406 1.00 0.00 C ATOM 173 SG CYS A 12 7.704 -4.817 -2.889 1.00 0.00 S ATOM 0 H CYS A 12 8.649 -4.606 0.218 1.00 0.00 H new ATOM 0 HA CYS A 12 6.504 -2.973 -0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.902 -5.960 -0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.613 -5.078 -1.719 1.00 0.00 H new ATOM 178 N ARG A 13 4.793 -3.443 0.715 1.00 0.00 N ATOM 179 CA ARG A 13 3.767 -3.509 1.718 1.00 0.00 C ATOM 180 C ARG A 13 2.436 -3.254 1.052 1.00 0.00 C ATOM 181 O ARG A 13 2.337 -2.387 0.172 1.00 0.00 O ATOM 182 CB ARG A 13 4.042 -2.459 2.810 1.00 0.00 C ATOM 183 CG ARG A 13 2.966 -2.336 3.875 1.00 0.00 C ATOM 184 CD ARG A 13 3.355 -1.309 4.922 1.00 0.00 C ATOM 185 NE ARG A 13 2.264 -1.039 5.862 1.00 0.00 N ATOM 186 CZ ARG A 13 2.381 -0.359 7.006 1.00 0.00 C ATOM 187 NH1 ARG A 13 3.576 0.031 7.431 1.00 0.00 N ATOM 188 NH2 ARG A 13 1.302 -0.094 7.731 1.00 0.00 N ATOM 0 H ARG A 13 4.578 -2.797 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 13 3.754 -4.492 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.986 -2.703 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.171 -1.487 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.022 -2.049 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.807 -3.304 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.227 -1.665 5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.646 -0.381 4.429 1.00 0.00 H new ATOM 0 HE ARG A 13 1.340 -1.400 5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.408 -0.188 6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.662 0.550 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.385 -0.409 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.389 0.425 8.605 1.00 0.00 H new ATOM 202 N CYS A 14 1.439 -4.013 1.397 1.00 0.00 N ATOM 203 CA CYS A 14 0.146 -3.773 0.845 1.00 0.00 C ATOM 204 C CYS A 14 -0.673 -2.955 1.797 1.00 0.00 C ATOM 205 O CYS A 14 -0.650 -3.178 3.010 1.00 0.00 O ATOM 206 CB CYS A 14 -0.562 -5.048 0.408 1.00 0.00 C ATOM 207 SG CYS A 14 0.381 -6.038 -0.818 1.00 0.00 S ATOM 0 H CYS A 14 1.497 -4.794 2.051 1.00 0.00 H new ATOM 0 HA CYS A 14 0.277 -3.199 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.756 -5.664 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.531 -4.787 -0.018 1.00 0.00 H new ATOM 212 N ILE A 15 -1.349 -1.994 1.270 1.00 0.00 N ATOM 213 CA ILE A 15 -2.088 -1.063 2.071 1.00 0.00 C ATOM 214 C ILE A 15 -3.552 -1.061 1.661 1.00 0.00 C ATOM 215 O ILE A 15 -3.882 -1.143 0.465 1.00 0.00 O ATOM 216 CB ILE A 15 -1.470 0.385 1.965 1.00 0.00 C ATOM 217 CG1 ILE A 15 -2.184 1.391 2.883 1.00 0.00 C ATOM 218 CG2 ILE A 15 -1.450 0.895 0.526 1.00 0.00 C ATOM 219 CD1 ILE A 15 -2.016 1.110 4.357 1.00 0.00 C ATOM 0 H ILE A 15 -1.409 -1.825 0.266 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.023 -1.376 3.113 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.438 0.299 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.807 2.391 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.247 1.393 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.017 1.895 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.851 0.224 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.468 0.931 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.550 1.865 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.420 0.124 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.957 1.138 4.614 1.00 0.00 H new ATOM 231 N CYS A 16 -4.411 -1.030 2.623 1.00 0.00 N ATOM 232 CA CYS A 16 -5.805 -0.954 2.361 1.00 0.00 C ATOM 233 C CYS A 16 -6.326 0.384 2.802 1.00 0.00 C ATOM 234 O CYS A 16 -5.909 0.924 3.833 1.00 0.00 O ATOM 235 CB CYS A 16 -6.567 -2.094 3.029 1.00 0.00 C ATOM 236 SG CYS A 16 -5.985 -3.770 2.566 1.00 0.00 S ATOM 0 H CYS A 16 -4.165 -1.057 3.613 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.963 -1.059 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.489 -1.982 4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.623 -2.007 2.775 1.00 0.00 H new ATOM 241 N THR A 17 -7.180 0.928 2.004 1.00 0.00 N ATOM 242 CA THR A 17 -7.794 2.180 2.258 1.00 0.00 C ATOM 243 C THR A 17 -9.215 2.154 1.761 1.00 0.00 C ATOM 244 O THR A 17 -9.494 1.794 0.595 1.00 0.00 O ATOM 245 CB THR A 17 -6.983 3.362 1.659 1.00 0.00 C ATOM 246 OG1 THR A 17 -7.718 4.598 1.725 1.00 0.00 O ATOM 247 CG2 THR A 17 -6.510 3.092 0.234 1.00 0.00 C ATOM 0 H THR A 17 -7.478 0.497 1.129 1.00 0.00 H new ATOM 0 HA THR A 17 -7.808 2.348 3.335 1.00 0.00 H new ATOM 0 HB THR A 17 -6.092 3.460 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.178 5.320 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.949 3.952 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.869 2.210 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.373 2.921 -0.409 1.00 0.00 H new ATOM 255 N ARG A 18 -10.112 2.456 2.680 1.00 0.00 N ATOM 256 CA ARG A 18 -11.547 2.474 2.476 1.00 0.00 C ATOM 257 C ARG A 18 -12.056 1.063 2.069 1.00 0.00 C ATOM 258 O ARG A 18 -13.122 0.890 1.457 1.00 0.00 O ATOM 259 CB ARG A 18 -11.922 3.558 1.453 1.00 0.00 C ATOM 260 CG ARG A 18 -13.389 3.893 1.421 1.00 0.00 C ATOM 261 CD ARG A 18 -13.708 4.906 0.331 1.00 0.00 C ATOM 262 NE ARG A 18 -12.974 6.179 0.499 1.00 0.00 N ATOM 263 CZ ARG A 18 -12.728 7.053 -0.494 1.00 0.00 C ATOM 264 NH1 ARG A 18 -13.187 6.811 -1.717 1.00 0.00 N ATOM 265 NH2 ARG A 18 -12.038 8.169 -0.260 1.00 0.00 N ATOM 0 H ARG A 18 -9.847 2.707 3.633 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.045 2.730 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.358 4.464 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.614 3.228 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.967 2.984 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.693 4.291 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.464 4.477 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.779 5.107 0.330 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.631 6.410 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.725 5.964 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.002 7.472 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.691 8.367 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.857 8.825 -1.020 1.00 0.00 H new TER 279 ARG A 18