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= -0.241 (180deg=-0.241) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.991 -0.425 0.702 1.00 0.00 N ATOM 2 CA GLY A 1 -11.499 -1.690 1.153 1.00 0.00 C ATOM 3 C GLY A 1 -10.666 -2.871 0.659 1.00 0.00 C ATOM 4 O GLY A 1 -10.825 -4.001 1.145 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.593 0.341 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.524 -1.699 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.527 -1.807 0.810 1.00 0.00 H new ATOM 8 N VAL A 2 -9.750 -2.609 -0.248 1.00 0.00 N ATOM 9 CA VAL A 2 -8.978 -3.653 -0.884 1.00 0.00 C ATOM 10 C VAL A 2 -7.562 -3.668 -0.300 1.00 0.00 C ATOM 11 O VAL A 2 -6.962 -2.613 -0.071 1.00 0.00 O ATOM 12 CB VAL A 2 -8.916 -3.427 -2.429 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.299 -4.616 -3.139 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.300 -3.126 -3.000 1.00 0.00 C ATOM 0 H VAL A 2 -9.520 -1.667 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.460 -4.613 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.278 -2.561 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.271 -4.425 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.285 -4.773 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.897 -5.506 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.224 -2.974 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.967 -3.964 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.698 -2.225 -2.533 1.00 0.00 H new ATOM 37 N ARG A 4 -4.351 -3.610 -0.919 1.00 0.00 N ATOM 38 CA ARG A 4 -3.352 -3.337 -1.922 1.00 0.00 C ATOM 39 C ARG A 4 -2.037 -3.134 -1.225 1.00 0.00 C ATOM 40 O ARG A 4 -1.995 -2.631 -0.095 1.00 0.00 O ATOM 41 CB ARG A 4 -3.706 -2.090 -2.750 1.00 0.00 C ATOM 42 CG ARG A 4 -5.067 -2.154 -3.435 1.00 0.00 C ATOM 43 CD ARG A 4 -5.202 -3.377 -4.341 1.00 0.00 C ATOM 44 NE ARG A 4 -4.280 -3.368 -5.486 1.00 0.00 N ATOM 45 CZ ARG A 4 -4.110 -4.398 -6.328 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.666 -5.575 -6.070 1.00 0.00 N ATOM 47 NH2 ARG A 4 -3.354 -4.258 -7.406 1.00 0.00 N ATOM 0 HA ARG A 4 -3.299 -4.178 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.682 -1.217 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.938 -1.942 -3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.852 -2.176 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.218 -1.249 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.026 -4.277 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.226 -3.433 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.734 -2.523 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.227 -5.700 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.533 -6.354 -6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.899 -3.365 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.226 -5.043 -8.045 1.00 0.00 H new ATOM 61 N CYS A 5 -0.983 -3.528 -1.834 1.00 0.00 N ATOM 62 CA CYS A 5 0.268 -3.369 -1.200 1.00 0.00 C ATOM 63 C CYS A 5 1.043 -2.271 -1.864 1.00 0.00 C ATOM 64 O CYS A 5 1.181 -2.222 -3.092 1.00 0.00 O ATOM 65 CB CYS A 5 1.062 -4.663 -1.158 1.00 0.00 C ATOM 66 SG CYS A 5 0.104 -6.132 -0.593 1.00 0.00 S ATOM 0 H CYS A 5 -0.960 -3.958 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 5 0.084 -3.090 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.457 -4.864 -2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.918 -4.528 -0.497 1.00 0.00 H new ATOM 71 N VAL A 6 1.532 -1.406 -1.060 1.00 0.00 N ATOM 72 CA VAL A 6 2.272 -0.260 -1.499 1.00 0.00 C ATOM 73 C VAL A 6 3.733 -0.443 -1.109 1.00 0.00 C ATOM 74 O VAL A 6 4.032 -0.968 -0.029 1.00 0.00 O ATOM 75 CB VAL A 6 1.675 1.062 -0.906 1.00 0.00 C ATOM 76 CG1 VAL A 6 1.727 1.101 0.621 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.339 2.290 -1.507 1.00 0.00 C ATOM 0 H VAL A 6 1.432 -1.466 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 6 2.201 -0.172 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 6 0.621 1.075 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.300 2.039 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.155 0.266 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.763 1.026 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.901 3.189 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.408 2.267 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.185 2.295 -2.586 1.00 0.00 H new ATOM 87 N CYS A 7 4.630 -0.089 -1.987 1.00 0.00 N ATOM 88 CA CYS A 7 6.034 -0.228 -1.708 1.00 0.00 C ATOM 89 C CYS A 7 6.725 1.095 -1.802 1.00 0.00 C ATOM 90 O CYS A 7 6.456 1.894 -2.700 1.00 0.00 O ATOM 91 CB CYS A 7 6.696 -1.237 -2.637 1.00 0.00 C ATOM 92 SG CYS A 7 5.992 -2.918 -2.554 1.00 0.00 S ATOM 0 H CYS A 7 4.414 0.299 -2.905 1.00 0.00 H new ATOM 0 HA CYS A 7 6.127 -0.603 -0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.617 -0.874 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.758 -1.289 -2.398 1.00 0.00 H new ATOM 97 N ARG A 8 7.579 1.341 -0.867 1.00 0.00 N ATOM 98 CA ARG A 8 8.357 2.557 -0.825 1.00 0.00 C ATOM 99 C ARG A 8 9.778 2.216 -0.425 1.00 0.00 C ATOM 100 O ARG A 8 10.005 1.576 0.596 1.00 0.00 O ATOM 101 CB ARG A 8 7.715 3.616 0.104 1.00 0.00 C ATOM 102 CG ARG A 8 7.467 3.153 1.533 1.00 0.00 C ATOM 103 CD ARG A 8 6.837 4.251 2.386 1.00 0.00 C ATOM 104 NE ARG A 8 5.483 4.639 1.939 1.00 0.00 N ATOM 105 CZ ARG A 8 4.575 5.274 2.710 1.00 0.00 C ATOM 106 NH1 ARG A 8 4.907 5.687 3.934 1.00 0.00 N ATOM 107 NH2 ARG A 8 3.361 5.539 2.233 1.00 0.00 N ATOM 0 H ARG A 8 7.767 0.702 -0.095 1.00 0.00 H new ATOM 0 HA ARG A 8 8.375 3.011 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.360 4.494 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.766 3.930 -0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.814 2.281 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.410 2.840 1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.787 3.913 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.482 5.129 2.369 1.00 0.00 H new ATOM 0 HE ARG A 8 5.216 4.411 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.849 5.523 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.219 6.167 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.115 5.262 1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.677 6.019 2.818 1.00 0.00 H new ATOM 121 N ARG A 9 10.710 2.545 -1.304 1.00 0.00 N ATOM 122 CA ARG A 9 12.145 2.272 -1.158 1.00 0.00 C ATOM 123 C ARG A 9 12.436 0.748 -1.073 1.00 0.00 C ATOM 124 O ARG A 9 13.534 0.316 -0.727 1.00 0.00 O ATOM 125 CB ARG A 9 12.744 3.036 0.033 1.00 0.00 C ATOM 126 CG ARG A 9 14.272 3.031 0.097 1.00 0.00 C ATOM 127 CD ARG A 9 14.877 3.709 -1.119 1.00 0.00 C ATOM 128 NE ARG A 9 16.331 3.589 -1.138 1.00 0.00 N ATOM 129 CZ ARG A 9 17.151 4.340 -1.871 1.00 0.00 C ATOM 130 NH1 ARG A 9 16.685 5.354 -2.581 1.00 0.00 N ATOM 131 NH2 ARG A 9 18.444 4.088 -1.875 1.00 0.00 N ATOM 0 H ARG A 9 10.488 3.028 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 9 12.638 2.639 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.400 4.069 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.355 2.605 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.602 3.541 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.632 2.004 0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.464 3.266 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.599 4.763 -1.124 1.00 0.00 H new ATOM 0 HE ARG A 9 16.752 2.875 -0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.688 5.568 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.323 5.922 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.815 3.319 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.074 4.662 -2.436 1.00 0.00 H new ATOM 145 N GLY A 10 11.471 -0.048 -1.447 1.00 0.00 N ATOM 146 CA GLY A 10 11.616 -1.468 -1.388 1.00 0.00 C ATOM 147 C GLY A 10 10.997 -2.059 -0.146 1.00 0.00 C ATOM 148 O GLY A 10 11.048 -3.274 0.069 1.00 0.00 O ATOM 0 H GLY A 10 10.569 0.272 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.154 -1.914 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.675 -1.724 -1.420 1.00 0.00 H new ATOM 152 N VAL A 11 10.440 -1.214 0.686 1.00 0.00 N ATOM 153 CA VAL A 11 9.757 -1.661 1.872 1.00 0.00 C ATOM 154 C VAL A 11 8.286 -1.618 1.554 1.00 0.00 C ATOM 155 O VAL A 11 7.760 -0.568 1.157 1.00 0.00 O ATOM 156 CB VAL A 11 10.074 -0.770 3.106 1.00 0.00 C ATOM 157 CG1 VAL A 11 9.432 -1.336 4.367 1.00 0.00 C ATOM 158 CG2 VAL A 11 11.573 -0.636 3.294 1.00 0.00 C ATOM 0 H VAL A 11 10.448 -0.202 0.560 1.00 0.00 H new ATOM 0 HA VAL A 11 10.086 -2.666 2.138 1.00 0.00 H new ATOM 0 HB VAL A 11 9.654 0.219 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.669 -0.694 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.351 -1.380 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.816 -2.339 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.776 -0.009 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.010 -1.623 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.012 -0.180 2.407 1.00 0.00 H new ATOM 168 N CYS A 12 7.627 -2.710 1.707 1.00 0.00 N ATOM 169 CA CYS A 12 6.276 -2.817 1.280 1.00 0.00 C ATOM 170 C CYS A 12 5.352 -2.985 2.450 1.00 0.00 C ATOM 171 O CYS A 12 5.743 -3.502 3.511 1.00 0.00 O ATOM 172 CB CYS A 12 6.116 -3.984 0.302 1.00 0.00 C ATOM 173 SG CYS A 12 7.168 -3.864 -1.193 1.00 0.00 S ATOM 0 H CYS A 12 8.008 -3.556 2.132 1.00 0.00 H new ATOM 0 HA CYS A 12 6.009 -1.892 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.349 -4.913 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.072 -4.044 -0.006 1.00 0.00 H new ATOM 178 N ARG A 13 4.162 -2.521 2.276 1.00 0.00 N ATOM 179 CA ARG A 13 3.140 -2.644 3.245 1.00 0.00 C ATOM 180 C ARG A 13 1.827 -2.922 2.562 1.00 0.00 C ATOM 181 O ARG A 13 1.481 -2.263 1.577 1.00 0.00 O ATOM 182 CB ARG A 13 3.061 -1.383 4.098 1.00 0.00 C ATOM 183 CG ARG A 13 1.849 -1.351 5.012 1.00 0.00 C ATOM 184 CD ARG A 13 1.839 -0.149 5.913 1.00 0.00 C ATOM 185 NE ARG A 13 0.612 -0.116 6.704 1.00 0.00 N ATOM 186 CZ ARG A 13 0.168 0.920 7.403 1.00 0.00 C ATOM 187 NH1 ARG A 13 0.923 2.001 7.544 1.00 0.00 N ATOM 188 NH2 ARG A 13 -1.027 0.863 7.976 1.00 0.00 N ATOM 0 H ARG A 13 3.870 -2.032 1.430 1.00 0.00 H new ATOM 0 HA ARG A 13 3.370 -3.478 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.965 -1.304 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.037 -0.511 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.942 -1.355 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.832 -2.256 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.705 -0.175 6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.920 0.760 5.318 1.00 0.00 H new ATOM 0 HE ARG A 13 0.046 -0.965 6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.847 2.037 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.579 2.796 8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.600 0.025 7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.373 1.657 8.515 1.00 0.00 H new ATOM 202 N CYS A 14 1.130 -3.907 3.036 1.00 0.00 N ATOM 203 CA CYS A 14 -0.161 -4.203 2.508 1.00 0.00 C ATOM 204 C CYS A 14 -1.192 -3.521 3.336 1.00 0.00 C ATOM 205 O CYS A 14 -1.324 -3.775 4.539 1.00 0.00 O ATOM 206 CB CYS A 14 -0.407 -5.687 2.385 1.00 0.00 C ATOM 207 SG CYS A 14 0.788 -6.529 1.283 1.00 0.00 S ATOM 0 H CYS A 14 1.437 -4.521 3.791 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.221 -3.821 1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.359 -6.140 3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.417 -5.851 2.008 1.00 0.00 H new ATOM 212 N VAL A 15 -1.884 -2.635 2.719 1.00 0.00 N ATOM 213 CA VAL A 15 -2.822 -1.801 3.418 1.00 0.00 C ATOM 214 C VAL A 15 -4.202 -1.862 2.769 1.00 0.00 C ATOM 215 O VAL A 15 -4.333 -1.838 1.537 1.00 0.00 O ATOM 216 CB VAL A 15 -2.277 -0.335 3.534 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.972 0.271 2.171 1.00 0.00 C ATOM 218 CG2 VAL A 15 -3.209 0.562 4.347 1.00 0.00 C ATOM 0 H VAL A 15 -1.825 -2.459 1.716 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.939 -2.182 4.433 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.335 -0.398 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.597 1.286 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.218 -0.332 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.882 0.293 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.791 1.567 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.187 0.601 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.315 0.159 5.354 1.00 0.00 H new ATOM 241 N ARG A 17 -6.863 -0.320 1.552 1.00 0.00 N ATOM 242 CA ARG A 17 -7.265 0.944 1.019 1.00 0.00 C ATOM 243 C ARG A 17 -8.331 0.729 -0.010 1.00 0.00 C ATOM 244 O ARG A 17 -8.225 -0.184 -0.829 1.00 0.00 O ATOM 245 CB ARG A 17 -6.073 1.687 0.430 1.00 0.00 C ATOM 246 CG ARG A 17 -5.131 2.216 1.487 1.00 0.00 C ATOM 247 CD ARG A 17 -3.982 2.990 0.887 1.00 0.00 C ATOM 248 NE ARG A 17 -3.312 3.806 1.897 1.00 0.00 N ATOM 249 CZ ARG A 17 -3.601 5.094 2.142 1.00 0.00 C ATOM 250 NH1 ARG A 17 -4.549 5.723 1.440 1.00 0.00 N ATOM 251 NH2 ARG A 17 -2.944 5.739 3.080 1.00 0.00 N ATOM 0 HA ARG A 17 -7.668 1.562 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.527 1.018 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.433 2.517 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.682 2.859 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.740 1.384 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.267 2.298 0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.350 3.629 0.084 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.577 3.369 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.060 5.224 0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.762 6.702 1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.220 5.261 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.158 6.718 3.272 1.00 0.00 H new ATOM 265 N ARG A 18 -9.389 1.527 0.070 1.00 0.00 N ATOM 266 CA ARG A 18 -10.566 1.402 -0.798 1.00 0.00 C ATOM 267 C ARG A 18 -11.263 0.063 -0.489 1.00 0.00 C ATOM 268 O ARG A 18 -12.013 -0.493 -1.279 1.00 0.00 O ATOM 269 CB ARG A 18 -10.173 1.552 -2.293 1.00 0.00 C ATOM 270 CG ARG A 18 -11.320 1.544 -3.304 1.00 0.00 C ATOM 271 CD ARG A 18 -12.266 2.705 -3.096 1.00 0.00 C ATOM 272 NE ARG A 18 -13.398 2.656 -4.016 1.00 0.00 N ATOM 273 CZ ARG A 18 -14.502 3.407 -3.926 1.00 0.00 C ATOM 274 NH1 ARG A 18 -14.614 4.333 -2.978 1.00 0.00 N ATOM 275 NH2 ARG A 18 -15.490 3.221 -4.793 1.00 0.00 N ATOM 0 H ARG A 18 -9.460 2.289 0.745 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.272 2.208 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.622 2.486 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.488 0.744 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.913 1.584 -4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.871 0.607 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.632 2.696 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.727 3.642 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.343 1.995 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.855 4.475 -2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.459 4.901 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.404 2.511 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.335 3.789 -4.732 1.00 0.00 H new