USER MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 131 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N ARG A 4 6.568 4.499 0.374 1.00 0.20 N ATOM 42 CA ARG A 4 5.095 4.261 0.363 1.00 0.18 C ATOM 43 C ARG A 4 4.699 3.271 -0.740 1.00 0.18 C ATOM 44 O ARG A 4 5.204 3.301 -1.851 1.00 0.27 O ATOM 45 CB ARG A 4 4.352 5.583 0.169 1.00 0.24 C ATOM 46 CG ARG A 4 2.848 5.331 0.202 1.00 0.32 C ATOM 47 CD ARG A 4 2.247 5.994 1.439 1.00 0.42 C ATOM 48 NE ARG A 4 2.322 5.045 2.594 1.00 0.29 N ATOM 49 CZ ARG A 4 1.687 5.304 3.712 1.00 0.38 C ATOM 50 NH1 ARG A 4 1.081 6.443 3.879 1.00 0.44 N ATOM 51 NH2 ARG A 4 1.645 4.416 4.656 1.00 0.57 N ATOM 0 HA ARG A 4 4.817 3.827 1.323 1.00 0.18 H new ATOM 0 HB2 ARG A 4 4.631 6.287 0.953 1.00 0.24 H new ATOM 0 HB3 ARG A 4 4.635 6.035 -0.782 1.00 0.24 H new ATOM 0 HG2 ARG A 4 2.382 5.729 -0.699 1.00 0.32 H new ATOM 0 HG3 ARG A 4 2.648 4.260 0.218 1.00 0.32 H new ATOM 0 HD2 ARG A 4 2.786 6.912 1.672 1.00 0.42 H new ATOM 0 HD3 ARG A 4 1.210 6.273 1.249 1.00 0.42 H new ATOM 0 HE ARG A 4 2.872 4.190 2.511 1.00 0.29 H new ATOM 0 HH11 ARG A 4 1.097 7.143 3.137 1.00 0.44 H new ATOM 0 HH12 ARG A 4 0.590 6.636 4.752 1.00 0.44 H new ATOM 0 HH21 ARG A 4 2.106 3.515 4.530 1.00 0.57 H new ATOM 0 HH22 ARG A 4 1.151 4.619 5.525 1.00 0.57 H new ATOM 65 N LEU A 5 3.781 2.398 -0.419 1.00 0.18 N ATOM 66 CA LEU A 5 3.295 1.382 -1.406 1.00 0.22 C ATOM 67 C LEU A 5 1.891 0.935 -1.005 1.00 0.19 C ATOM 68 O LEU A 5 1.633 0.643 0.143 1.00 0.27 O ATOM 69 CB LEU A 5 4.216 0.164 -1.398 1.00 0.28 C ATOM 70 CG LEU A 5 4.342 -0.324 0.035 1.00 0.27 C ATOM 71 CD1 LEU A 5 4.411 -1.849 0.057 1.00 0.39 C ATOM 72 CD2 LEU A 5 5.608 0.251 0.670 1.00 0.33 C ATOM 0 H LEU A 5 3.339 2.343 0.499 1.00 0.18 H new ATOM 0 HA LEU A 5 3.286 1.825 -2.402 1.00 0.22 H new ATOM 0 HB2 LEU A 5 3.811 -0.623 -2.034 1.00 0.28 H new ATOM 0 HB3 LEU A 5 5.196 0.425 -1.799 1.00 0.28 H new ATOM 0 HG LEU A 5 3.471 0.008 0.601 1.00 0.27 H new ATOM 0 HD11 LEU A 5 4.501 -2.194 1.087 1.00 0.39 H new ATOM 0 HD12 LEU A 5 3.504 -2.261 -0.386 1.00 0.39 H new ATOM 0 HD13 LEU A 5 5.277 -2.182 -0.515 1.00 0.39 H new ATOM 0 HD21 LEU A 5 5.693 -0.103 1.698 1.00 0.33 H new ATOM 0 HD22 LEU A 5 6.480 -0.073 0.102 1.00 0.33 H new ATOM 0 HD23 LEU A 5 5.556 1.340 0.664 1.00 0.33 H new ATOM 84 N CYS A 6 0.990 0.871 -1.940 1.00 0.19 N ATOM 85 CA CYS A 6 -0.405 0.430 -1.620 1.00 0.18 C ATOM 86 C CYS A 6 -0.897 -0.534 -2.703 1.00 0.20 C ATOM 87 O CYS A 6 -0.915 -0.210 -3.875 1.00 0.27 O ATOM 88 CB CYS A 6 -1.354 1.638 -1.536 1.00 0.22 C ATOM 89 SG CYS A 6 -0.411 3.182 -1.375 1.00 0.24 S ATOM 0 H CYS A 6 1.154 1.105 -2.919 1.00 0.19 H new ATOM 0 HA CYS A 6 -0.398 -0.072 -0.653 1.00 0.18 H new ATOM 0 HB2 CYS A 6 -1.979 1.679 -2.428 1.00 0.22 H new ATOM 0 HB3 CYS A 6 -2.023 1.523 -0.683 1.00 0.22 H new ATOM 94 N TYR A 7 -1.282 -1.720 -2.311 1.00 0.19 N ATOM 95 CA TYR A 7 -1.765 -2.732 -3.310 1.00 0.22 C ATOM 96 C TYR A 7 -3.180 -3.205 -2.972 1.00 0.19 C ATOM 97 O TYR A 7 -3.534 -3.370 -1.818 1.00 0.17 O ATOM 98 CB TYR A 7 -0.844 -3.965 -3.322 1.00 0.28 C ATOM 99 CG TYR A 7 -0.090 -4.083 -2.024 1.00 0.28 C ATOM 100 CD1 TYR A 7 -0.780 -4.364 -0.845 1.00 0.30 C ATOM 101 CD2 TYR A 7 1.294 -3.908 -2.004 1.00 0.43 C ATOM 102 CE1 TYR A 7 -0.086 -4.466 0.362 1.00 0.35 C ATOM 103 CE2 TYR A 7 1.991 -4.014 -0.800 1.00 0.49 C ATOM 104 CZ TYR A 7 1.302 -4.292 0.386 1.00 0.40 C ATOM 105 OH TYR A 7 1.992 -4.388 1.577 1.00 0.50 O ATOM 0 H TYR A 7 -1.285 -2.037 -1.341 1.00 0.19 H new ATOM 0 HA TYR A 7 -1.760 -2.247 -4.286 1.00 0.22 H new ATOM 0 HB2 TYR A 7 -1.436 -4.865 -3.487 1.00 0.28 H new ATOM 0 HB3 TYR A 7 -0.140 -3.891 -4.151 1.00 0.28 H new ATOM 0 HD1 TYR A 7 -1.851 -4.503 -0.866 1.00 0.30 H new ATOM 0 HD2 TYR A 7 1.825 -3.691 -2.919 1.00 0.43 H new ATOM 0 HE1 TYR A 7 -0.620 -4.679 1.276 1.00 0.35 H new ATOM 0 HE2 TYR A 7 3.063 -3.881 -0.783 1.00 0.49 H new ATOM 0 HH TYR A 7 2.947 -4.242 1.414 1.00 0.50 H new ATOM 115 N CYS A 8 -3.966 -3.470 -3.986 1.00 0.23 N ATOM 116 CA CYS A 8 -5.354 -3.989 -3.772 1.00 0.22 C ATOM 117 C CYS A 8 -5.274 -5.509 -3.730 1.00 0.24 C ATOM 118 O CYS A 8 -5.150 -6.169 -4.746 1.00 0.33 O ATOM 119 CB CYS A 8 -6.277 -3.517 -4.901 1.00 0.27 C ATOM 120 SG CYS A 8 -7.235 -2.089 -4.320 1.00 0.31 S ATOM 0 H CYS A 8 -3.703 -3.348 -4.964 1.00 0.23 H new ATOM 0 HA CYS A 8 -5.768 -3.612 -2.837 1.00 0.22 H new ATOM 0 HB2 CYS A 8 -5.690 -3.245 -5.779 1.00 0.27 H new ATOM 0 HB3 CYS A 8 -6.947 -4.323 -5.202 1.00 0.27 H new ATOM 125 N ARG A 9 -5.300 -6.063 -2.545 1.00 0.21 N ATOM 126 CA ARG A 9 -5.179 -7.536 -2.400 1.00 0.26 C ATOM 127 C ARG A 9 -6.560 -8.193 -2.374 1.00 0.23 C ATOM 128 O ARG A 9 -7.267 -8.154 -1.381 1.00 0.21 O ATOM 129 CB ARG A 9 -4.418 -7.854 -1.108 1.00 0.29 C ATOM 130 CG ARG A 9 -2.987 -7.313 -1.206 1.00 0.41 C ATOM 131 CD ARG A 9 -2.000 -8.369 -0.704 1.00 0.58 C ATOM 132 NE ARG A 9 -0.610 -7.823 -0.802 1.00 0.52 N ATOM 133 CZ ARG A 9 0.416 -8.486 -0.342 1.00 0.74 C ATOM 134 NH1 ARG A 9 0.280 -9.693 0.129 1.00 1.15 N ATOM 135 NH2 ARG A 9 1.588 -7.931 -0.354 1.00 0.78 N ATOM 0 H ARG A 9 -5.401 -5.551 -1.669 1.00 0.21 H new ATOM 0 HA ARG A 9 -4.632 -7.934 -3.255 1.00 0.26 H new ATOM 0 HB2 ARG A 9 -4.928 -7.408 -0.254 1.00 0.29 H new ATOM 0 HB3 ARG A 9 -4.399 -8.931 -0.941 1.00 0.29 H new ATOM 0 HG2 ARG A 9 -2.758 -7.049 -2.238 1.00 0.41 H new ATOM 0 HG3 ARG A 9 -2.891 -6.402 -0.615 1.00 0.41 H new ATOM 0 HD2 ARG A 9 -2.227 -8.636 0.328 1.00 0.58 H new ATOM 0 HD3 ARG A 9 -2.089 -9.280 -1.296 1.00 0.58 H new ATOM 0 HE ARG A 9 -0.461 -6.913 -1.238 1.00 0.52 H new ATOM 0 HH11 ARG A 9 -0.639 -10.135 0.142 1.00 1.15 H new ATOM 0 HH12 ARG A 9 1.093 -10.196 0.484 1.00 1.15 H new ATOM 0 HH21 ARG A 9 1.701 -6.986 -0.720 1.00 0.78 H new ATOM 0 HH22 ARG A 9 2.397 -8.440 0.003 1.00 0.78 H new ATOM 149 N ARG A 10 -6.924 -8.801 -3.477 1.00 0.29 N ATOM 150 CA ARG A 10 -8.233 -9.520 -3.620 1.00 0.31 C ATOM 151 C ARG A 10 -9.431 -8.600 -3.393 1.00 0.23 C ATOM 152 O ARG A 10 -10.312 -8.505 -4.230 1.00 0.29 O ATOM 153 CB ARG A 10 -8.282 -10.695 -2.637 1.00 0.37 C ATOM 154 CG ARG A 10 -9.640 -11.398 -2.743 1.00 0.40 C ATOM 155 CD ARG A 10 -9.813 -11.982 -4.150 1.00 0.52 C ATOM 156 NE ARG A 10 -11.202 -12.524 -4.302 1.00 0.52 N ATOM 157 CZ ARG A 10 -12.205 -11.750 -4.636 1.00 0.48 C ATOM 158 NH1 ARG A 10 -12.057 -10.460 -4.737 1.00 0.49 N ATOM 159 NH2 ARG A 10 -13.364 -12.281 -4.879 1.00 0.56 N ATOM 0 H ARG A 10 -6.346 -8.830 -4.317 1.00 0.29 H new ATOM 0 HA ARG A 10 -8.298 -9.885 -4.645 1.00 0.31 H new ATOM 0 HB2 ARG A 10 -7.479 -11.399 -2.856 1.00 0.37 H new ATOM 0 HB3 ARG A 10 -8.125 -10.338 -1.619 1.00 0.37 H new ATOM 0 HG2 ARG A 10 -9.708 -12.192 -1.999 1.00 0.40 H new ATOM 0 HG3 ARG A 10 -10.443 -10.692 -2.531 1.00 0.40 H new ATOM 0 HD2 ARG A 10 -9.628 -11.212 -4.899 1.00 0.52 H new ATOM 0 HD3 ARG A 10 -9.083 -12.773 -4.319 1.00 0.52 H new ATOM 0 HE ARG A 10 -11.370 -13.517 -4.142 1.00 0.52 H new ATOM 0 HH11 ARG A 10 -11.148 -10.035 -4.555 1.00 0.49 H new ATOM 0 HH12 ARG A 10 -12.850 -9.875 -4.998 1.00 0.49 H new ATOM 0 HH21 ARG A 10 -13.487 -13.291 -4.809 1.00 0.56 H new ATOM 0 HH22 ARG A 10 -14.152 -11.688 -5.140 1.00 0.56 H new ATOM 173 N ARG A 11 -9.487 -7.965 -2.266 1.00 0.19 N ATOM 174 CA ARG A 11 -10.636 -7.079 -1.955 1.00 0.26 C ATOM 175 C ARG A 11 -10.187 -5.865 -1.119 1.00 0.23 C ATOM 176 O ARG A 11 -11.021 -5.143 -0.595 1.00 0.30 O ATOM 177 CB ARG A 11 -11.669 -7.900 -1.173 1.00 0.38 C ATOM 178 CG ARG A 11 -13.039 -7.217 -1.230 1.00 0.50 C ATOM 179 CD ARG A 11 -13.553 -7.000 0.194 1.00 0.57 C ATOM 180 NE ARG A 11 -13.015 -5.705 0.715 1.00 0.53 N ATOM 181 CZ ARG A 11 -13.511 -5.139 1.784 1.00 0.73 C ATOM 182 NH1 ARG A 11 -14.422 -5.735 2.493 1.00 0.91 N ATOM 183 NH2 ARG A 11 -13.085 -3.968 2.141 1.00 0.86 N ATOM 0 H ARG A 11 -8.777 -8.021 -1.535 1.00 0.19 H new ATOM 0 HA ARG A 11 -11.067 -6.700 -2.882 1.00 0.26 H new ATOM 0 HB2 ARG A 11 -11.738 -8.905 -1.590 1.00 0.38 H new ATOM 0 HB3 ARG A 11 -11.350 -8.007 -0.136 1.00 0.38 H new ATOM 0 HG2 ARG A 11 -12.961 -6.263 -1.751 1.00 0.50 H new ATOM 0 HG3 ARG A 11 -13.742 -7.831 -1.793 1.00 0.50 H new ATOM 0 HD2 ARG A 11 -14.643 -6.985 0.203 1.00 0.57 H new ATOM 0 HD3 ARG A 11 -13.240 -7.823 0.836 1.00 0.57 H new ATOM 0 HE ARG A 11 -12.243 -5.253 0.225 1.00 0.53 H new ATOM 0 HH11 ARG A 11 -14.760 -6.657 2.218 1.00 0.91 H new ATOM 0 HH12 ARG A 11 -14.799 -5.281 3.325 1.00 0.91 H new ATOM 0 HH21 ARG A 11 -12.369 -3.496 1.589 1.00 0.86 H new ATOM 0 HH22 ARG A 11 -13.466 -3.519 2.974 1.00 0.86 H new ATOM 197 N PHE A 12 -8.897 -5.603 -0.980 1.00 0.17 N ATOM 198 CA PHE A 12 -8.513 -4.407 -0.162 1.00 0.17 C ATOM 199 C PHE A 12 -7.176 -3.804 -0.593 1.00 0.14 C ATOM 200 O PHE A 12 -6.176 -4.482 -0.747 1.00 0.15 O ATOM 201 CB PHE A 12 -8.483 -4.762 1.339 1.00 0.22 C ATOM 202 CG PHE A 12 -7.298 -5.643 1.693 1.00 0.21 C ATOM 203 CD1 PHE A 12 -7.235 -6.954 1.216 1.00 0.25 C ATOM 204 CD2 PHE A 12 -6.281 -5.158 2.529 1.00 0.27 C ATOM 205 CE1 PHE A 12 -6.166 -7.783 1.568 1.00 0.30 C ATOM 206 CE2 PHE A 12 -5.208 -5.988 2.875 1.00 0.31 C ATOM 207 CZ PHE A 12 -5.152 -7.300 2.397 1.00 0.31 C ATOM 0 H PHE A 12 -8.129 -6.142 -1.380 1.00 0.17 H new ATOM 0 HA PHE A 12 -9.276 -3.649 -0.336 1.00 0.17 H new ATOM 0 HB2 PHE A 12 -8.441 -3.845 1.927 1.00 0.22 H new ATOM 0 HB3 PHE A 12 -9.407 -5.272 1.609 1.00 0.22 H new ATOM 0 HD1 PHE A 12 -8.016 -7.329 0.572 1.00 0.25 H new ATOM 0 HD2 PHE A 12 -6.326 -4.146 2.905 1.00 0.27 H new ATOM 0 HE1 PHE A 12 -6.125 -8.797 1.199 1.00 0.30 H new ATOM 0 HE2 PHE A 12 -4.421 -5.613 3.513 1.00 0.31 H new ATOM 0 HZ PHE A 12 -4.325 -7.940 2.669 1.00 0.31 H new ATOM 217 N CYS A 13 -7.171 -2.505 -0.743 1.00 0.16 N ATOM 218 CA CYS A 13 -5.925 -1.772 -1.112 1.00 0.17 C ATOM 219 C CYS A 13 -5.216 -1.427 0.186 1.00 0.15 C ATOM 220 O CYS A 13 -5.724 -0.697 1.016 1.00 0.21 O ATOM 221 CB CYS A 13 -6.261 -0.507 -1.908 1.00 0.25 C ATOM 222 SG CYS A 13 -5.844 -0.776 -3.653 1.00 0.30 S ATOM 0 H CYS A 13 -7.992 -1.912 -0.623 1.00 0.16 H new ATOM 0 HA CYS A 13 -5.284 -2.384 -1.747 1.00 0.17 H new ATOM 0 HB2 CYS A 13 -7.320 -0.269 -1.807 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -5.704 0.344 -1.515 1.00 0.25 H new ATOM 227 N VAL A 14 -4.062 -1.993 0.377 1.00 0.14 N ATOM 228 CA VAL A 14 -3.306 -1.771 1.638 1.00 0.17 C ATOM 229 C VAL A 14 -2.044 -0.984 1.333 1.00 0.16 C ATOM 230 O VAL A 14 -1.256 -1.371 0.491 1.00 0.20 O ATOM 231 CB VAL A 14 -2.946 -3.122 2.269 1.00 0.21 C ATOM 232 CG1 VAL A 14 -3.681 -3.262 3.593 1.00 0.30 C ATOM 233 CG2 VAL A 14 -3.340 -4.272 1.335 1.00 0.21 C ATOM 0 H VAL A 14 -3.603 -2.608 -0.295 1.00 0.14 H new ATOM 0 HA VAL A 14 -3.920 -1.207 2.340 1.00 0.17 H new ATOM 0 HB VAL A 14 -1.869 -3.165 2.435 1.00 0.21 H new ATOM 0 HG11 VAL A 14 -3.431 -4.220 4.049 1.00 0.30 H new ATOM 0 HG12 VAL A 14 -3.384 -2.454 4.261 1.00 0.30 H new ATOM 0 HG13 VAL A 14 -4.756 -3.213 3.419 1.00 0.30 H new ATOM 0 HG21 VAL A 14 -3.078 -5.223 1.798 1.00 0.21 H new ATOM 0 HG22 VAL A 14 -4.414 -4.241 1.153 1.00 0.21 H new ATOM 0 HG23 VAL A 14 -2.809 -4.170 0.389 1.00 0.21 H new ATOM 243 N CYS A 15 -1.863 0.127 1.997 1.00 0.17 N ATOM 244 CA CYS A 15 -0.667 0.975 1.734 1.00 0.16 C ATOM 245 C CYS A 15 0.326 0.924 2.906 1.00 0.18 C ATOM 246 O CYS A 15 -0.055 0.829 4.058 1.00 0.27 O ATOM 247 CB CYS A 15 -1.127 2.408 1.503 1.00 0.20 C ATOM 248 SG CYS A 15 0.145 3.299 0.571 1.00 0.23 S ATOM 0 H CYS A 15 -2.496 0.484 2.713 1.00 0.17 H new ATOM 0 HA CYS A 15 -0.152 0.595 0.851 1.00 0.16 H new ATOM 0 HB2 CYS A 15 -2.069 2.416 0.955 1.00 0.20 H new ATOM 0 HB3 CYS A 15 -1.309 2.902 2.457 1.00 0.20 H new ATOM 253 N VAL A 16 1.603 0.995 2.601 1.00 0.16 N ATOM 254 CA VAL A 16 2.660 0.952 3.667 1.00 0.19 C ATOM 255 C VAL A 16 3.716 2.034 3.381 1.00 0.16 C ATOM 256 O VAL A 16 3.538 2.868 2.505 1.00 0.18 O ATOM 257 CB VAL A 16 3.338 -0.435 3.690 1.00 0.27 C ATOM 258 CG1 VAL A 16 3.450 -0.922 5.136 1.00 0.53 C ATOM 259 CG2 VAL A 16 2.514 -1.451 2.892 1.00 0.37 C ATOM 0 H VAL A 16 1.961 1.082 1.650 1.00 0.16 H new ATOM 0 HA VAL A 16 2.196 1.135 4.636 1.00 0.19 H new ATOM 0 HB VAL A 16 4.327 -0.344 3.242 1.00 0.27 H new ATOM 0 HG11 VAL A 16 3.928 -1.901 5.154 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.047 -0.216 5.713 1.00 0.53 H new ATOM 0 HG13 VAL A 16 2.454 -0.997 5.573 1.00 0.53 H new ATOM 0 HG21 VAL A 16 3.008 -2.422 2.920 1.00 0.37 H new ATOM 0 HG22 VAL A 16 1.519 -1.537 3.330 1.00 0.37 H new ATOM 0 HG23 VAL A 16 2.428 -1.117 1.858 1.00 0.37 H new ATOM 269 N GLY A 17 4.804 2.038 4.120 1.00 0.19 N ATOM 270 CA GLY A 17 5.873 3.069 3.908 1.00 0.21 C ATOM 271 C GLY A 17 7.074 2.448 3.183 1.00 0.20 C ATOM 272 O GLY A 17 7.533 2.967 2.181 1.00 0.29 O ATOM 0 H GLY A 17 4.997 1.368 4.864 1.00 0.19 H new ATOM 0 HA2 GLY A 17 5.476 3.899 3.324 1.00 0.21 H new ATOM 0 HA3 GLY A 17 6.190 3.477 4.868 1.00 0.21 H new ATOM 276 N ARG A 18 7.583 1.345 3.679 1.00 0.24 N ATOM 277 CA ARG A 18 8.756 0.684 3.017 1.00 0.30 C ATOM 278 C ARG A 18 8.289 -0.560 2.242 1.00 0.32 C ATOM 279 O ARG A 18 7.651 -1.442 2.790 1.00 0.49 O ATOM 280 CB ARG A 18 9.802 0.289 4.075 1.00 0.50 C ATOM 281 CG ARG A 18 9.163 -0.589 5.159 1.00 0.62 C ATOM 282 CD ARG A 18 9.811 -1.975 5.144 1.00 0.78 C ATOM 283 NE ARG A 18 8.966 -2.900 4.326 1.00 0.76 N ATOM 284 CZ ARG A 18 9.123 -4.196 4.388 1.00 0.97 C ATOM 285 NH1 ARG A 18 10.095 -4.718 5.077 1.00 1.14 N ATOM 286 NH2 ARG A 18 8.294 -4.969 3.759 1.00 1.10 N ATOM 0 H ARG A 18 7.237 0.873 4.514 1.00 0.24 H new ATOM 0 HA ARG A 18 9.211 1.384 2.317 1.00 0.30 H new ATOM 0 HB2 ARG A 18 10.623 -0.248 3.601 1.00 0.50 H new ATOM 0 HB3 ARG A 18 10.227 1.185 4.528 1.00 0.50 H new ATOM 0 HG2 ARG A 18 9.291 -0.127 6.138 1.00 0.62 H new ATOM 0 HG3 ARG A 18 8.090 -0.676 4.986 1.00 0.62 H new ATOM 0 HD2 ARG A 18 10.816 -1.916 4.727 1.00 0.78 H new ATOM 0 HD3 ARG A 18 9.910 -2.355 6.161 1.00 0.78 H new ATOM 0 HE ARG A 18 8.254 -2.512 3.708 1.00 0.76 H new ATOM 0 HH11 ARG A 18 10.747 -4.114 5.578 1.00 1.14 H new ATOM 0 HH12 ARG A 18 10.205 -5.731 5.116 1.00 1.14 H new ATOM 0 HH21 ARG A 18 7.527 -4.565 3.222 1.00 1.10 H new ATOM 0 HH22 ARG A 18 8.409 -5.982 3.802 1.00 1.10 H new