USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 136 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= -0.0272 (180deg=-0.0272) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.010 -0.896 1.249 1.00 0.00 N ATOM 2 CA GLY A 1 -11.522 -2.233 1.182 1.00 0.00 C ATOM 3 C GLY A 1 -10.631 -3.160 0.378 1.00 0.00 C ATOM 4 O GLY A 1 -10.661 -4.377 0.568 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.656 -0.304 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.632 -2.627 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.517 -2.215 0.737 1.00 0.00 H new ATOM 8 N VAL A 2 -9.835 -2.601 -0.512 1.00 0.00 N ATOM 9 CA VAL A 2 -8.952 -3.401 -1.334 1.00 0.00 C ATOM 10 C VAL A 2 -7.578 -3.453 -0.691 1.00 0.00 C ATOM 11 O VAL A 2 -6.825 -2.495 -0.764 1.00 0.00 O ATOM 12 CB VAL A 2 -8.831 -2.824 -2.779 1.00 0.00 C ATOM 13 CG1 VAL A 2 -7.923 -3.684 -3.649 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.200 -2.691 -3.424 1.00 0.00 C ATOM 0 H VAL A 2 -9.782 -1.597 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.373 -4.404 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.383 -1.834 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.862 -3.253 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.927 -3.722 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.330 -4.693 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.090 -2.287 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.674 -3.671 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.819 -2.020 -2.829 1.00 0.00 H new ATOM 37 N ARG A 4 -4.187 -3.811 -0.743 1.00 0.00 N ATOM 38 CA ARG A 4 -3.210 -3.774 -1.769 1.00 0.00 C ATOM 39 C ARG A 4 -1.943 -3.265 -1.155 1.00 0.00 C ATOM 40 O ARG A 4 -1.979 -2.454 -0.220 1.00 0.00 O ATOM 41 CB ARG A 4 -3.704 -2.885 -2.911 1.00 0.00 C ATOM 42 CG ARG A 4 -2.761 -2.769 -4.085 1.00 0.00 C ATOM 43 CD ARG A 4 -3.439 -2.090 -5.255 1.00 0.00 C ATOM 44 NE ARG A 4 -4.571 -2.885 -5.744 1.00 0.00 N ATOM 45 CZ ARG A 4 -5.429 -2.518 -6.690 1.00 0.00 C ATOM 46 NH1 ARG A 4 -5.326 -1.333 -7.278 1.00 0.00 N ATOM 47 NH2 ARG A 4 -6.390 -3.351 -7.044 1.00 0.00 N ATOM 0 HA ARG A 4 -3.027 -4.760 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.658 -3.274 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.894 -1.887 -2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.877 -2.202 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.420 -3.761 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.788 -1.102 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.720 -1.942 -6.060 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.712 -3.802 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.582 -0.691 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.991 -1.064 -8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.467 -4.263 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.056 -3.083 -7.769 1.00 0.00 H new ATOM 61 N CYS A 5 -0.843 -3.741 -1.605 1.00 0.00 N ATOM 62 CA CYS A 5 0.374 -3.394 -0.973 1.00 0.00 C ATOM 63 C CYS A 5 1.090 -2.322 -1.743 1.00 0.00 C ATOM 64 O CYS A 5 1.175 -2.350 -2.972 1.00 0.00 O ATOM 65 CB CYS A 5 1.230 -4.631 -0.731 1.00 0.00 C ATOM 66 SG CYS A 5 0.253 -6.072 -0.098 1.00 0.00 S ATOM 0 H CYS A 5 -0.759 -4.369 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 5 0.155 -2.973 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.723 -4.913 -1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.015 -4.389 -0.015 1.00 0.00 H new ATOM 71 N VAL A 6 1.561 -1.369 -1.015 1.00 0.00 N ATOM 72 CA VAL A 6 2.248 -0.235 -1.566 1.00 0.00 C ATOM 73 C VAL A 6 3.716 -0.384 -1.257 1.00 0.00 C ATOM 74 O VAL A 6 4.099 -0.590 -0.089 1.00 0.00 O ATOM 75 CB VAL A 6 1.718 1.108 -0.966 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.428 2.314 -1.582 1.00 0.00 C ATOM 77 CG2 VAL A 6 0.206 1.232 -1.148 1.00 0.00 C ATOM 0 H VAL A 6 1.482 -1.349 0.002 1.00 0.00 H new ATOM 0 HA VAL A 6 2.075 -0.202 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 6 1.938 1.095 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.035 3.231 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.498 2.246 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.258 2.326 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.136 2.175 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.036 1.205 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.291 0.404 -0.642 1.00 0.00 H new ATOM 87 N CYS A 7 4.529 -0.305 -2.262 1.00 0.00 N ATOM 88 CA CYS A 7 5.930 -0.453 -2.073 1.00 0.00 C ATOM 89 C CYS A 7 6.598 0.867 -2.136 1.00 0.00 C ATOM 90 O CYS A 7 6.368 1.654 -3.050 1.00 0.00 O ATOM 91 CB CYS A 7 6.530 -1.395 -3.080 1.00 0.00 C ATOM 92 SG CYS A 7 5.831 -3.082 -3.045 1.00 0.00 S ATOM 0 H CYS A 7 4.241 -0.138 -3.226 1.00 0.00 H new ATOM 0 HA CYS A 7 6.088 -0.885 -1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.391 -0.978 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.604 -1.456 -2.907 1.00 0.00 H new ATOM 97 N ARG A 8 7.392 1.113 -1.159 1.00 0.00 N ATOM 98 CA ARG A 8 8.088 2.353 -1.053 1.00 0.00 C ATOM 99 C ARG A 8 9.411 2.131 -0.362 1.00 0.00 C ATOM 100 O ARG A 8 9.460 1.586 0.751 1.00 0.00 O ATOM 101 CB ARG A 8 7.258 3.376 -0.282 1.00 0.00 C ATOM 102 CG ARG A 8 7.866 4.753 -0.301 1.00 0.00 C ATOM 103 CD ARG A 8 7.031 5.756 0.446 1.00 0.00 C ATOM 104 NE ARG A 8 7.598 7.097 0.316 1.00 0.00 N ATOM 105 CZ ARG A 8 7.174 8.179 0.957 1.00 0.00 C ATOM 106 NH1 ARG A 8 6.178 8.092 1.834 1.00 0.00 N ATOM 107 NH2 ARG A 8 7.747 9.350 0.710 1.00 0.00 N ATOM 0 H ARG A 8 7.582 0.457 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 8 8.263 2.744 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.256 3.420 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.150 3.045 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.863 4.714 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.986 5.081 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.012 5.748 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.976 5.479 1.499 1.00 0.00 H new ATOM 0 HE ARG A 8 8.386 7.211 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.736 7.191 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.856 8.926 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.507 9.413 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.428 10.187 1.198 1.00 0.00 H new ATOM 121 N ARG A 9 10.476 2.499 -1.047 1.00 0.00 N ATOM 122 CA ARG A 9 11.843 2.427 -0.548 1.00 0.00 C ATOM 123 C ARG A 9 12.207 0.984 -0.170 1.00 0.00 C ATOM 124 O ARG A 9 12.814 0.704 0.881 1.00 0.00 O ATOM 125 CB ARG A 9 12.026 3.389 0.624 1.00 0.00 C ATOM 126 CG ARG A 9 13.466 3.676 0.968 1.00 0.00 C ATOM 127 CD ARG A 9 13.589 4.587 2.160 1.00 0.00 C ATOM 128 NE ARG A 9 14.989 4.915 2.429 1.00 0.00 N ATOM 129 CZ ARG A 9 15.414 5.724 3.400 1.00 0.00 C ATOM 130 NH1 ARG A 9 14.555 6.195 4.300 1.00 0.00 N ATOM 131 NH2 ARG A 9 16.702 6.029 3.492 1.00 0.00 N ATOM 0 H ARG A 9 10.416 2.868 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 9 12.528 2.734 -1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.526 4.329 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.530 2.974 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.984 2.739 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.960 4.132 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.025 5.503 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.150 4.108 3.035 1.00 0.00 H new ATOM 0 HE ARG A 9 15.695 4.492 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.569 5.937 4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.882 6.814 5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.366 5.645 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.028 6.648 4.235 1.00 0.00 H new ATOM 145 N GLY A 10 11.776 0.063 -1.010 1.00 0.00 N ATOM 146 CA GLY A 10 12.061 -1.333 -0.817 1.00 0.00 C ATOM 147 C GLY A 10 11.147 -2.004 0.189 1.00 0.00 C ATOM 148 O GLY A 10 11.226 -3.219 0.396 1.00 0.00 O ATOM 0 H GLY A 10 11.221 0.267 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.976 -1.849 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.094 -1.442 -0.487 1.00 0.00 H new ATOM 152 N VAL A 11 10.276 -1.234 0.800 1.00 0.00 N ATOM 153 CA VAL A 11 9.381 -1.747 1.800 1.00 0.00 C ATOM 154 C VAL A 11 8.024 -1.889 1.191 1.00 0.00 C ATOM 155 O VAL A 11 7.482 -0.926 0.669 1.00 0.00 O ATOM 156 CB VAL A 11 9.266 -0.775 3.007 1.00 0.00 C ATOM 157 CG1 VAL A 11 8.379 -1.338 4.111 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.629 -0.417 3.544 1.00 0.00 C ATOM 0 H VAL A 11 10.172 -0.236 0.615 1.00 0.00 H new ATOM 0 HA VAL A 11 9.768 -2.703 2.152 1.00 0.00 H new ATOM 0 HB VAL A 11 8.790 0.135 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.327 -0.626 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.377 -1.513 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.798 -2.278 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.520 0.264 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.140 -1.322 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.213 0.066 2.761 1.00 0.00 H new ATOM 168 N CYS A 12 7.481 -3.053 1.215 1.00 0.00 N ATOM 169 CA CYS A 12 6.162 -3.211 0.729 1.00 0.00 C ATOM 170 C CYS A 12 5.240 -3.380 1.896 1.00 0.00 C ATOM 171 O CYS A 12 5.396 -4.301 2.714 1.00 0.00 O ATOM 172 CB CYS A 12 6.050 -4.349 -0.280 1.00 0.00 C ATOM 173 SG CYS A 12 7.063 -4.104 -1.784 1.00 0.00 S ATOM 0 H CYS A 12 7.926 -3.902 1.563 1.00 0.00 H new ATOM 0 HA CYS A 12 5.871 -2.317 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.350 -5.280 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.006 -4.463 -0.571 1.00 0.00 H new ATOM 178 N ARG A 13 4.326 -2.477 2.002 1.00 0.00 N ATOM 179 CA ARG A 13 3.414 -2.440 3.092 1.00 0.00 C ATOM 180 C ARG A 13 2.019 -2.680 2.593 1.00 0.00 C ATOM 181 O ARG A 13 1.562 -2.008 1.667 1.00 0.00 O ATOM 182 CB ARG A 13 3.515 -1.089 3.778 1.00 0.00 C ATOM 183 CG ARG A 13 2.535 -0.885 4.907 1.00 0.00 C ATOM 184 CD ARG A 13 2.708 0.476 5.524 1.00 0.00 C ATOM 185 NE ARG A 13 1.738 0.709 6.590 1.00 0.00 N ATOM 186 CZ ARG A 13 2.043 1.098 7.823 1.00 0.00 C ATOM 187 NH1 ARG A 13 3.319 1.239 8.196 1.00 0.00 N ATOM 188 NH2 ARG A 13 1.071 1.342 8.686 1.00 0.00 N ATOM 0 H ARG A 13 4.190 -1.730 1.321 1.00 0.00 H new ATOM 0 HA ARG A 13 3.660 -3.221 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.527 -0.967 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.362 -0.306 3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.516 -0.994 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.681 -1.654 5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.718 0.570 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.597 1.241 4.756 1.00 0.00 H new ATOM 0 HE ARG A 13 0.753 0.562 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.069 1.047 7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.543 1.538 9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.098 1.231 8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.295 1.641 9.635 1.00 0.00 H new ATOM 202 N CYS A 14 1.354 -3.631 3.165 1.00 0.00 N ATOM 203 CA CYS A 14 0.022 -3.939 2.754 1.00 0.00 C ATOM 204 C CYS A 14 -0.977 -3.097 3.496 1.00 0.00 C ATOM 205 O CYS A 14 -1.020 -3.091 4.727 1.00 0.00 O ATOM 206 CB CYS A 14 -0.251 -5.419 2.851 1.00 0.00 C ATOM 207 SG CYS A 14 0.890 -6.410 1.811 1.00 0.00 S ATOM 0 H CYS A 14 1.714 -4.211 3.923 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.087 -3.683 1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.159 -5.735 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.279 -5.617 2.548 1.00 0.00 H new ATOM 212 N VAL A 15 -1.747 -2.352 2.743 1.00 0.00 N ATOM 213 CA VAL A 15 -2.682 -1.398 3.302 1.00 0.00 C ATOM 214 C VAL A 15 -4.061 -1.632 2.697 1.00 0.00 C ATOM 215 O VAL A 15 -4.179 -2.013 1.529 1.00 0.00 O ATOM 216 CB VAL A 15 -2.235 0.069 2.970 1.00 0.00 C ATOM 217 CG1 VAL A 15 -3.130 1.092 3.649 1.00 0.00 C ATOM 218 CG2 VAL A 15 -0.778 0.317 3.340 1.00 0.00 C ATOM 0 H VAL A 15 -1.746 -2.387 1.724 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.710 -1.531 4.383 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.334 0.187 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.791 2.097 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.157 0.960 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.085 0.955 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.510 1.344 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.641 0.153 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.139 -0.368 2.783 1.00 0.00 H new ATOM 241 N ARG A 17 -6.751 -0.389 0.929 1.00 0.00 N ATOM 242 CA ARG A 17 -7.011 0.709 0.037 1.00 0.00 C ATOM 243 C ARG A 17 -8.496 0.714 -0.273 1.00 0.00 C ATOM 244 O ARG A 17 -8.946 0.136 -1.277 1.00 0.00 O ATOM 245 CB ARG A 17 -6.185 0.535 -1.248 1.00 0.00 C ATOM 246 CG ARG A 17 -4.695 0.281 -0.998 1.00 0.00 C ATOM 247 CD ARG A 17 -3.989 1.490 -0.412 1.00 0.00 C ATOM 248 NE ARG A 17 -3.851 2.547 -1.407 1.00 0.00 N ATOM 249 CZ ARG A 17 -3.568 3.826 -1.165 1.00 0.00 C ATOM 250 NH1 ARG A 17 -3.465 4.285 0.086 1.00 0.00 N ATOM 251 NH2 ARG A 17 -3.392 4.652 -2.186 1.00 0.00 N ATOM 0 HA ARG A 17 -6.728 1.658 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.594 -0.297 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.293 1.429 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.583 -0.565 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.215 0.003 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.550 1.863 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.004 1.199 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.984 2.281 -2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.604 3.653 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.248 5.268 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.474 4.306 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.175 5.634 -2.016 1.00 0.00 H new ATOM 265 N ARG A 18 -9.257 1.285 0.655 1.00 0.00 N ATOM 266 CA ARG A 18 -10.708 1.396 0.566 1.00 0.00 C ATOM 267 C ARG A 18 -11.338 0.010 0.357 1.00 0.00 C ATOM 268 O ARG A 18 -12.044 -0.252 -0.620 1.00 0.00 O ATOM 269 CB ARG A 18 -11.111 2.388 -0.525 1.00 0.00 C ATOM 270 CG ARG A 18 -12.594 2.694 -0.565 1.00 0.00 C ATOM 271 CD ARG A 18 -12.940 3.658 -1.674 1.00 0.00 C ATOM 272 NE ARG A 18 -14.388 3.853 -1.767 1.00 0.00 N ATOM 273 CZ ARG A 18 -15.001 4.761 -2.528 1.00 0.00 C ATOM 274 NH1 ARG A 18 -14.295 5.593 -3.273 1.00 0.00 N ATOM 275 NH2 ARG A 18 -16.325 4.825 -2.535 1.00 0.00 N ATOM 0 H ARG A 18 -8.874 1.692 1.508 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.092 1.789 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.563 3.318 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.807 1.990 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.152 1.768 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.904 3.115 0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.451 4.616 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.559 3.279 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.978 3.243 -1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.276 5.543 -3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.769 6.285 -3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.870 4.182 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.799 5.517 -3.115 1.00 0.00 H new