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= -0.208 USER MOD ----------------------------------------------------------------- ATOM 41 N ARG A 4 4.738 4.160 1.126 1.00 0.19 N ATOM 42 CA ARG A 4 5.596 4.091 -0.084 1.00 0.19 C ATOM 43 C ARG A 4 4.833 3.366 -1.195 1.00 0.16 C ATOM 44 O ARG A 4 4.843 3.775 -2.340 1.00 0.22 O ATOM 45 CB ARG A 4 6.888 3.336 0.256 1.00 0.23 C ATOM 46 CG ARG A 4 8.078 3.968 -0.481 1.00 0.33 C ATOM 47 CD ARG A 4 7.780 4.085 -1.982 1.00 0.35 C ATOM 48 NE ARG A 4 7.360 2.751 -2.516 1.00 0.30 N ATOM 49 CZ ARG A 4 7.399 2.493 -3.799 1.00 0.45 C ATOM 50 NH1 ARG A 4 7.699 3.424 -4.657 1.00 0.65 N ATOM 51 NH2 ARG A 4 7.140 1.294 -4.220 1.00 0.48 N ATOM 0 HA ARG A 4 5.852 5.095 -0.423 1.00 0.19 H new ATOM 0 HB2 ARG A 4 7.061 3.362 1.332 1.00 0.23 H new ATOM 0 HB3 ARG A 4 6.791 2.288 -0.026 1.00 0.23 H new ATOM 0 HG2 ARG A 4 8.287 4.955 -0.068 1.00 0.33 H new ATOM 0 HG3 ARG A 4 8.971 3.363 -0.328 1.00 0.33 H new ATOM 0 HD2 ARG A 4 6.993 4.820 -2.151 1.00 0.35 H new ATOM 0 HD3 ARG A 4 8.664 4.438 -2.512 1.00 0.35 H new ATOM 0 HE ARG A 4 7.038 2.031 -1.869 1.00 0.30 H new ATOM 0 HH11 ARG A 4 7.907 4.368 -4.333 1.00 0.65 H new ATOM 0 HH12 ARG A 4 7.726 3.209 -5.654 1.00 0.65 H new ATOM 0 HH21 ARG A 4 6.908 0.558 -3.553 1.00 0.48 H new ATOM 0 HH22 ARG A 4 7.169 1.087 -5.218 1.00 0.48 H new ATOM 65 N LEU A 5 4.164 2.300 -0.850 1.00 0.17 N ATOM 66 CA LEU A 5 3.380 1.528 -1.865 1.00 0.20 C ATOM 67 C LEU A 5 1.996 1.154 -1.334 1.00 0.18 C ATOM 68 O LEU A 5 1.806 0.859 -0.163 1.00 0.20 O ATOM 69 CB LEU A 5 4.119 0.244 -2.257 1.00 0.24 C ATOM 70 CG LEU A 5 4.388 -0.593 -1.015 1.00 0.25 C ATOM 71 CD1 LEU A 5 4.483 -2.068 -1.406 1.00 0.35 C ATOM 72 CD2 LEU A 5 5.706 -0.162 -0.365 1.00 0.27 C ATOM 0 H LEU A 5 4.125 1.925 0.098 1.00 0.17 H new ATOM 0 HA LEU A 5 3.266 2.171 -2.738 1.00 0.20 H new ATOM 0 HB2 LEU A 5 3.523 -0.327 -2.970 1.00 0.24 H new ATOM 0 HB3 LEU A 5 5.059 0.490 -2.752 1.00 0.24 H new ATOM 0 HG LEU A 5 3.572 -0.447 -0.307 1.00 0.25 H new ATOM 0 HD11 LEU A 5 4.676 -2.668 -0.517 1.00 0.35 H new ATOM 0 HD12 LEU A 5 3.545 -2.385 -1.861 1.00 0.35 H new ATOM 0 HD13 LEU A 5 5.296 -2.204 -2.119 1.00 0.35 H new ATOM 0 HD21 LEU A 5 5.889 -0.767 0.523 1.00 0.27 H new ATOM 0 HD22 LEU A 5 6.523 -0.300 -1.073 1.00 0.27 H new ATOM 0 HD23 LEU A 5 5.645 0.889 -0.082 1.00 0.27 H new ATOM 84 N CYS A 6 1.041 1.128 -2.220 1.00 0.21 N ATOM 85 CA CYS A 6 -0.345 0.737 -1.851 1.00 0.21 C ATOM 86 C CYS A 6 -0.795 -0.332 -2.844 1.00 0.22 C ATOM 87 O CYS A 6 -0.611 -0.199 -4.040 1.00 0.27 O ATOM 88 CB CYS A 6 -1.280 1.949 -1.918 1.00 0.25 C ATOM 89 SG CYS A 6 -0.757 3.181 -0.699 1.00 0.27 S ATOM 0 H CYS A 6 1.167 1.366 -3.204 1.00 0.21 H new ATOM 0 HA CYS A 6 -0.375 0.354 -0.831 1.00 0.21 H new ATOM 0 HB2 CYS A 6 -1.262 2.381 -2.919 1.00 0.25 H new ATOM 0 HB3 CYS A 6 -2.307 1.641 -1.722 1.00 0.25 H new ATOM 94 N TYR A 7 -1.338 -1.410 -2.357 1.00 0.20 N ATOM 95 CA TYR A 7 -1.747 -2.523 -3.275 1.00 0.22 C ATOM 96 C TYR A 7 -3.101 -3.102 -2.870 1.00 0.19 C ATOM 97 O TYR A 7 -3.449 -3.140 -1.705 1.00 0.20 O ATOM 98 CB TYR A 7 -0.692 -3.640 -3.204 1.00 0.26 C ATOM 99 CG TYR A 7 -0.057 -3.653 -1.833 1.00 0.24 C ATOM 100 CD1 TYR A 7 1.065 -2.859 -1.579 1.00 0.27 C ATOM 101 CD2 TYR A 7 -0.604 -4.440 -0.815 1.00 0.30 C ATOM 102 CE1 TYR A 7 1.643 -2.853 -0.307 1.00 0.29 C ATOM 103 CE2 TYR A 7 -0.026 -4.432 0.459 1.00 0.31 C ATOM 104 CZ TYR A 7 1.096 -3.639 0.712 1.00 0.29 C ATOM 105 OH TYR A 7 1.663 -3.630 1.968 1.00 0.34 O ATOM 0 H TYR A 7 -1.519 -1.575 -1.367 1.00 0.20 H new ATOM 0 HA TYR A 7 -1.826 -2.125 -4.287 1.00 0.22 H new ATOM 0 HB2 TYR A 7 -1.155 -4.605 -3.410 1.00 0.26 H new ATOM 0 HB3 TYR A 7 0.070 -3.483 -3.967 1.00 0.26 H new ATOM 0 HD1 TYR A 7 1.485 -2.250 -2.366 1.00 0.27 H new ATOM 0 HD2 TYR A 7 -1.471 -5.053 -1.012 1.00 0.30 H new ATOM 0 HE1 TYR A 7 2.512 -2.242 -0.111 1.00 0.29 H new ATOM 0 HE2 TYR A 7 -0.447 -5.039 1.247 1.00 0.31 H new ATOM 0 HH TYR A 7 1.161 -4.230 2.558 1.00 0.34 H new ATOM 115 N CYS A 8 -3.849 -3.585 -3.829 1.00 0.20 N ATOM 116 CA CYS A 8 -5.173 -4.202 -3.520 1.00 0.17 C ATOM 117 C CYS A 8 -5.026 -5.717 -3.581 1.00 0.16 C ATOM 118 O CYS A 8 -4.848 -6.297 -4.636 1.00 0.22 O ATOM 119 CB CYS A 8 -6.232 -3.721 -4.519 1.00 0.21 C ATOM 120 SG CYS A 8 -7.498 -2.771 -3.639 1.00 0.24 S ATOM 0 H CYS A 8 -3.598 -3.578 -4.818 1.00 0.20 H new ATOM 0 HA CYS A 8 -5.498 -3.905 -2.523 1.00 0.17 H new ATOM 0 HB2 CYS A 8 -5.768 -3.105 -5.289 1.00 0.21 H new ATOM 0 HB3 CYS A 8 -6.686 -4.574 -5.024 1.00 0.21 H new ATOM 125 N ARG A 9 -5.082 -6.357 -2.443 1.00 0.14 N ATOM 126 CA ARG A 9 -4.924 -7.833 -2.404 1.00 0.16 C ATOM 127 C ARG A 9 -6.294 -8.518 -2.434 1.00 0.14 C ATOM 128 O ARG A 9 -7.022 -8.535 -1.456 1.00 0.15 O ATOM 129 CB ARG A 9 -4.160 -8.230 -1.137 1.00 0.21 C ATOM 130 CG ARG A 9 -2.697 -8.522 -1.490 1.00 0.42 C ATOM 131 CD ARG A 9 -1.918 -8.846 -0.213 1.00 0.51 C ATOM 132 NE ARG A 9 -0.649 -8.051 -0.186 1.00 0.67 N ATOM 133 CZ ARG A 9 0.447 -8.494 -0.752 1.00 0.64 C ATOM 134 NH1 ARG A 9 0.442 -9.591 -1.451 1.00 0.67 N ATOM 135 NH2 ARG A 9 1.552 -7.829 -0.613 1.00 0.92 N ATOM 0 H ARG A 9 -5.231 -5.915 -1.536 1.00 0.14 H new ATOM 0 HA ARG A 9 -4.361 -8.156 -3.280 1.00 0.16 H new ATOM 0 HB2 ARG A 9 -4.214 -7.428 -0.401 1.00 0.21 H new ATOM 0 HB3 ARG A 9 -4.618 -9.109 -0.684 1.00 0.21 H new ATOM 0 HG2 ARG A 9 -2.640 -9.359 -2.186 1.00 0.42 H new ATOM 0 HG3 ARG A 9 -2.254 -7.661 -1.990 1.00 0.42 H new ATOM 0 HD2 ARG A 9 -2.523 -8.614 0.663 1.00 0.51 H new ATOM 0 HD3 ARG A 9 -1.693 -9.912 -0.172 1.00 0.51 H new ATOM 0 HE ARG A 9 -0.637 -7.145 0.283 1.00 0.67 H new ATOM 0 HH11 ARG A 9 -0.423 -10.119 -1.565 1.00 0.67 H new ATOM 0 HH12 ARG A 9 1.303 -9.923 -1.885 1.00 0.67 H new ATOM 0 HH21 ARG A 9 1.564 -6.968 -0.066 1.00 0.92 H new ATOM 0 HH22 ARG A 9 2.409 -8.167 -1.050 1.00 0.92 H new ATOM 149 N ARG A 10 -6.629 -9.082 -3.569 1.00 0.17 N ATOM 150 CA ARG A 10 -7.925 -9.820 -3.769 1.00 0.21 C ATOM 151 C ARG A 10 -9.144 -8.936 -3.525 1.00 0.18 C ATOM 152 O ARG A 10 -10.013 -8.823 -4.370 1.00 0.24 O ATOM 153 CB ARG A 10 -7.982 -11.029 -2.829 1.00 0.26 C ATOM 154 CG ARG A 10 -8.792 -12.151 -3.489 1.00 0.33 C ATOM 155 CD ARG A 10 -10.289 -11.925 -3.252 1.00 0.35 C ATOM 156 NE ARG A 10 -11.069 -12.628 -4.322 1.00 0.46 N ATOM 157 CZ ARG A 10 -11.369 -12.041 -5.456 1.00 0.49 C ATOM 158 NH1 ARG A 10 -11.106 -10.781 -5.660 1.00 0.45 N ATOM 159 NH2 ARG A 10 -11.929 -12.734 -6.400 1.00 0.61 N ATOM 0 H ARG A 10 -6.036 -9.062 -4.399 1.00 0.17 H new ATOM 0 HA ARG A 10 -7.954 -10.143 -4.810 1.00 0.21 H new ATOM 0 HB2 ARG A 10 -6.974 -11.377 -2.605 1.00 0.26 H new ATOM 0 HB3 ARG A 10 -8.439 -10.745 -1.881 1.00 0.26 H new ATOM 0 HG2 ARG A 10 -8.585 -12.180 -4.559 1.00 0.33 H new ATOM 0 HG3 ARG A 10 -8.492 -13.116 -3.080 1.00 0.33 H new ATOM 0 HD2 ARG A 10 -10.575 -12.302 -2.270 1.00 0.35 H new ATOM 0 HD3 ARG A 10 -10.514 -10.859 -3.262 1.00 0.35 H new ATOM 0 HE ARG A 10 -11.375 -13.588 -4.164 1.00 0.46 H new ATOM 0 HH11 ARG A 10 -10.657 -10.229 -4.929 1.00 0.45 H new ATOM 0 HH12 ARG A 10 -11.349 -10.347 -6.551 1.00 0.45 H new ATOM 0 HH21 ARG A 10 -12.131 -13.723 -6.255 1.00 0.61 H new ATOM 0 HH22 ARG A 10 -12.167 -12.289 -7.286 1.00 0.61 H new ATOM 173 N ARG A 11 -9.232 -8.358 -2.371 1.00 0.14 N ATOM 174 CA ARG A 11 -10.406 -7.515 -2.034 1.00 0.17 C ATOM 175 C ARG A 11 -10.002 -6.345 -1.121 1.00 0.16 C ATOM 176 O ARG A 11 -10.860 -5.706 -0.534 1.00 0.24 O ATOM 177 CB ARG A 11 -11.438 -8.394 -1.312 1.00 0.23 C ATOM 178 CG ARG A 11 -12.813 -8.250 -1.977 1.00 0.30 C ATOM 179 CD ARG A 11 -13.391 -6.856 -1.702 1.00 0.32 C ATOM 180 NE ARG A 11 -13.115 -6.462 -0.282 1.00 0.30 N ATOM 181 CZ ARG A 11 -13.961 -6.718 0.680 1.00 0.37 C ATOM 182 NH1 ARG A 11 -15.029 -7.427 0.462 1.00 0.41 N ATOM 183 NH2 ARG A 11 -13.730 -6.255 1.870 1.00 0.48 N ATOM 0 H ARG A 11 -8.532 -8.433 -1.633 1.00 0.14 H new ATOM 0 HA ARG A 11 -10.824 -7.099 -2.951 1.00 0.17 H new ATOM 0 HB2 ARG A 11 -11.121 -9.436 -1.338 1.00 0.23 H new ATOM 0 HB3 ARG A 11 -11.501 -8.106 -0.263 1.00 0.23 H new ATOM 0 HG2 ARG A 11 -12.724 -8.409 -3.052 1.00 0.30 H new ATOM 0 HG3 ARG A 11 -13.491 -9.014 -1.597 1.00 0.30 H new ATOM 0 HD2 ARG A 11 -12.949 -6.129 -2.383 1.00 0.32 H new ATOM 0 HD3 ARG A 11 -14.465 -6.855 -1.887 1.00 0.32 H new ATOM 0 HE ARG A 11 -12.243 -5.981 -0.061 1.00 0.30 H new ATOM 0 HH11 ARG A 11 -15.217 -7.793 -0.472 1.00 0.41 H new ATOM 0 HH12 ARG A 11 -15.679 -7.617 1.225 1.00 0.41 H new ATOM 0 HH21 ARG A 11 -12.895 -5.697 2.047 1.00 0.48 H new ATOM 0 HH22 ARG A 11 -14.384 -6.449 2.628 1.00 0.48 H new ATOM 197 N PHE A 12 -8.729 -6.030 -0.970 1.00 0.12 N ATOM 198 CA PHE A 12 -8.413 -4.880 -0.066 1.00 0.16 C ATOM 199 C PHE A 12 -7.154 -4.129 -0.492 1.00 0.15 C ATOM 200 O PHE A 12 -6.105 -4.700 -0.729 1.00 0.14 O ATOM 201 CB PHE A 12 -8.296 -5.358 1.392 1.00 0.21 C ATOM 202 CG PHE A 12 -7.066 -6.213 1.600 1.00 0.21 C ATOM 203 CD1 PHE A 12 -7.042 -7.528 1.132 1.00 0.24 C ATOM 204 CD2 PHE A 12 -5.962 -5.697 2.286 1.00 0.26 C ATOM 205 CE1 PHE A 12 -5.915 -8.329 1.344 1.00 0.27 C ATOM 206 CE2 PHE A 12 -4.836 -6.500 2.504 1.00 0.29 C ATOM 207 CZ PHE A 12 -4.812 -7.815 2.032 1.00 0.27 C ATOM 0 H PHE A 12 -7.936 -6.495 -1.411 1.00 0.12 H new ATOM 0 HA PHE A 12 -9.241 -4.175 -0.143 1.00 0.16 H new ATOM 0 HB2 PHE A 12 -8.257 -4.495 2.057 1.00 0.21 H new ATOM 0 HB3 PHE A 12 -9.186 -5.927 1.661 1.00 0.21 H new ATOM 0 HD1 PHE A 12 -7.896 -7.928 0.605 1.00 0.24 H new ATOM 0 HD2 PHE A 12 -5.978 -4.679 2.648 1.00 0.26 H new ATOM 0 HE1 PHE A 12 -5.897 -9.344 0.976 1.00 0.27 H new ATOM 0 HE2 PHE A 12 -3.985 -6.103 3.037 1.00 0.29 H new ATOM 0 HZ PHE A 12 -3.942 -8.433 2.199 1.00 0.27 H new ATOM 217 N CYS A 13 -7.279 -2.828 -0.558 1.00 0.18 N ATOM 218 CA CYS A 13 -6.131 -1.949 -0.932 1.00 0.19 C ATOM 219 C CYS A 13 -5.371 -1.596 0.334 1.00 0.20 C ATOM 220 O CYS A 13 -5.943 -1.190 1.328 1.00 0.25 O ATOM 221 CB CYS A 13 -6.643 -0.677 -1.609 1.00 0.25 C ATOM 222 SG CYS A 13 -6.684 -0.933 -3.404 1.00 0.28 S ATOM 0 H CYS A 13 -8.147 -2.328 -0.364 1.00 0.18 H new ATOM 0 HA CYS A 13 -5.474 -2.467 -1.631 1.00 0.19 H new ATOM 0 HB2 CYS A 13 -7.639 -0.431 -1.242 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -5.996 0.165 -1.364 1.00 0.25 H new ATOM 227 N VAL A 14 -4.089 -1.789 0.306 1.00 0.19 N ATOM 228 CA VAL A 14 -3.255 -1.520 1.498 1.00 0.21 C ATOM 229 C VAL A 14 -2.262 -0.404 1.181 1.00 0.21 C ATOM 230 O VAL A 14 -2.028 -0.083 0.034 1.00 0.23 O ATOM 231 CB VAL A 14 -2.531 -2.820 1.844 1.00 0.23 C ATOM 232 CG1 VAL A 14 -1.445 -2.584 2.889 1.00 0.34 C ATOM 233 CG2 VAL A 14 -3.546 -3.822 2.378 1.00 0.26 C ATOM 0 H VAL A 14 -3.576 -2.128 -0.508 1.00 0.19 H new ATOM 0 HA VAL A 14 -3.859 -1.195 2.345 1.00 0.21 H new ATOM 0 HB VAL A 14 -2.054 -3.207 0.943 1.00 0.23 H new ATOM 0 HG11 VAL A 14 -0.947 -3.527 3.115 1.00 0.34 H new ATOM 0 HG12 VAL A 14 -0.716 -1.872 2.502 1.00 0.34 H new ATOM 0 HG13 VAL A 14 -1.895 -2.184 3.798 1.00 0.34 H new ATOM 0 HG21 VAL A 14 -3.040 -4.754 2.628 1.00 0.26 H new ATOM 0 HG22 VAL A 14 -4.022 -3.417 3.271 1.00 0.26 H new ATOM 0 HG23 VAL A 14 -4.303 -4.013 1.618 1.00 0.26 H new ATOM 243 N CYS A 15 -1.685 0.180 2.195 1.00 0.22 N ATOM 244 CA CYS A 15 -0.694 1.286 1.994 1.00 0.23 C ATOM 245 C CYS A 15 0.446 1.120 3.002 1.00 0.23 C ATOM 246 O CYS A 15 0.263 1.308 4.191 1.00 0.35 O ATOM 247 CB CYS A 15 -1.381 2.638 2.216 1.00 0.27 C ATOM 248 SG CYS A 15 -2.219 3.150 0.695 1.00 0.30 S ATOM 0 H CYS A 15 -1.858 -0.063 3.170 1.00 0.22 H new ATOM 0 HA CYS A 15 -0.299 1.247 0.979 1.00 0.23 H new ATOM 0 HB2 CYS A 15 -2.100 2.562 3.032 1.00 0.27 H new ATOM 0 HB3 CYS A 15 -0.645 3.388 2.508 1.00 0.27 H new ATOM 253 N VAL A 16 1.613 0.764 2.536 1.00 0.24 N ATOM 254 CA VAL A 16 2.769 0.569 3.468 1.00 0.26 C ATOM 255 C VAL A 16 3.913 1.524 3.103 1.00 0.21 C ATOM 256 O VAL A 16 4.080 1.911 1.957 1.00 0.22 O ATOM 257 CB VAL A 16 3.247 -0.887 3.384 1.00 0.30 C ATOM 258 CG1 VAL A 16 3.476 -1.278 1.923 1.00 0.28 C ATOM 259 CG2 VAL A 16 4.553 -1.056 4.159 1.00 0.38 C ATOM 0 H VAL A 16 1.819 0.599 1.551 1.00 0.24 H new ATOM 0 HA VAL A 16 2.451 0.787 4.488 1.00 0.26 H new ATOM 0 HB VAL A 16 2.482 -1.530 3.818 1.00 0.30 H new ATOM 0 HG11 VAL A 16 3.815 -2.313 1.872 1.00 0.28 H new ATOM 0 HG12 VAL A 16 2.544 -1.174 1.368 1.00 0.28 H new ATOM 0 HG13 VAL A 16 4.233 -0.626 1.486 1.00 0.28 H new ATOM 0 HG21 VAL A 16 4.884 -2.093 4.093 1.00 0.38 H new ATOM 0 HG22 VAL A 16 5.316 -0.404 3.733 1.00 0.38 H new ATOM 0 HG23 VAL A 16 4.393 -0.792 5.204 1.00 0.38 H new ATOM 269 N GLY A 17 4.699 1.904 4.080 1.00 0.25 N ATOM 270 CA GLY A 17 5.844 2.837 3.827 1.00 0.27 C ATOM 271 C GLY A 17 7.106 2.310 4.513 1.00 0.31 C ATOM 272 O GLY A 17 7.191 2.274 5.727 1.00 0.45 O ATOM 0 H GLY A 17 4.597 1.606 5.050 1.00 0.25 H new ATOM 0 HA2 GLY A 17 6.016 2.934 2.755 1.00 0.27 H new ATOM 0 HA3 GLY A 17 5.604 3.832 4.202 1.00 0.27 H new ATOM 276 N ARG A 18 8.091 1.910 3.745 1.00 0.29 N ATOM 277 CA ARG A 18 9.359 1.384 4.349 1.00 0.36 C ATOM 278 C ARG A 18 10.223 2.556 4.858 1.00 0.38 C ATOM 279 O ARG A 18 11.373 2.704 4.480 1.00 0.38 O ATOM 280 CB ARG A 18 10.126 0.574 3.292 1.00 0.44 C ATOM 281 CG ARG A 18 11.072 -0.412 3.989 1.00 0.59 C ATOM 282 CD ARG A 18 12.480 -0.283 3.403 1.00 0.55 C ATOM 283 NE ARG A 18 13.034 1.067 3.738 1.00 0.37 N ATOM 284 CZ ARG A 18 14.316 1.306 3.687 1.00 0.52 C ATOM 285 NH1 ARG A 18 15.144 0.409 3.238 1.00 0.68 N ATOM 286 NH2 ARG A 18 14.767 2.453 4.088 1.00 0.68 N ATOM 0 H ARG A 18 8.073 1.925 2.725 1.00 0.29 H new ATOM 0 HA ARG A 18 9.122 0.736 5.193 1.00 0.36 H new ATOM 0 HB2 ARG A 18 9.426 0.034 2.654 1.00 0.44 H new ATOM 0 HB3 ARG A 18 10.694 1.244 2.646 1.00 0.44 H new ATOM 0 HG2 ARG A 18 11.095 -0.213 5.060 1.00 0.59 H new ATOM 0 HG3 ARG A 18 10.707 -1.431 3.862 1.00 0.59 H new ATOM 0 HD2 ARG A 18 13.126 -1.064 3.804 1.00 0.55 H new ATOM 0 HD3 ARG A 18 12.450 -0.418 2.322 1.00 0.55 H new ATOM 0 HE ARG A 18 12.397 1.815 4.012 1.00 0.37 H new ATOM 0 HH11 ARG A 18 14.794 -0.495 2.920 1.00 0.68 H new ATOM 0 HH12 ARG A 18 16.144 0.609 3.204 1.00 0.68 H new ATOM 0 HH21 ARG A 18 14.122 3.160 4.440 1.00 0.68 H new ATOM 0 HH22 ARG A 18 15.767 2.649 4.052 1.00 0.68 H new