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= -0.278 USER MOD ----------------------------------------------------------------- ATOM 41 N ARG A 4 6.784 4.746 -0.176 1.00 0.31 N ATOM 42 CA ARG A 4 5.669 3.894 0.354 1.00 0.25 C ATOM 43 C ARG A 4 4.909 3.229 -0.810 1.00 0.21 C ATOM 44 O ARG A 4 5.015 3.645 -1.951 1.00 0.28 O ATOM 45 CB ARG A 4 4.709 4.772 1.174 1.00 0.35 C ATOM 46 CG ARG A 4 3.994 5.774 0.259 1.00 0.46 C ATOM 47 CD ARG A 4 2.569 5.289 -0.008 1.00 0.56 C ATOM 48 NE ARG A 4 2.460 4.835 -1.429 1.00 0.38 N ATOM 49 CZ ARG A 4 2.224 5.685 -2.397 1.00 0.58 C ATOM 50 NH1 ARG A 4 2.202 6.964 -2.170 1.00 0.93 N ATOM 51 NH2 ARG A 4 1.993 5.245 -3.596 1.00 0.57 N ATOM 0 HA ARG A 4 6.083 3.112 0.990 1.00 0.25 H new ATOM 0 HB2 ARG A 4 3.976 4.145 1.682 1.00 0.35 H new ATOM 0 HB3 ARG A 4 5.263 5.305 1.947 1.00 0.35 H new ATOM 0 HG2 ARG A 4 3.973 6.759 0.725 1.00 0.46 H new ATOM 0 HG3 ARG A 4 4.537 5.877 -0.680 1.00 0.46 H new ATOM 0 HD2 ARG A 4 2.318 4.471 0.667 1.00 0.56 H new ATOM 0 HD3 ARG A 4 1.857 6.092 0.185 1.00 0.56 H new ATOM 0 HE ARG A 4 2.572 3.845 -1.648 1.00 0.38 H new ATOM 0 HH11 ARG A 4 2.370 7.318 -1.228 1.00 0.93 H new ATOM 0 HH12 ARG A 4 2.017 7.614 -2.934 1.00 0.93 H new ATOM 0 HH21 ARG A 4 1.996 4.242 -3.780 1.00 0.57 H new ATOM 0 HH22 ARG A 4 1.809 5.902 -4.354 1.00 0.57 H new ATOM 65 N LEU A 5 4.138 2.198 -0.529 1.00 0.22 N ATOM 66 CA LEU A 5 3.372 1.505 -1.619 1.00 0.21 C ATOM 67 C LEU A 5 1.934 1.190 -1.177 1.00 0.20 C ATOM 68 O LEU A 5 1.651 0.972 -0.010 1.00 0.27 O ATOM 69 CB LEU A 5 4.080 0.207 -2.018 1.00 0.25 C ATOM 70 CG LEU A 5 4.217 -0.690 -0.800 1.00 0.29 C ATOM 71 CD1 LEU A 5 4.292 -2.150 -1.247 1.00 0.38 C ATOM 72 CD2 LEU A 5 5.490 -0.336 -0.030 1.00 0.33 C ATOM 0 H LEU A 5 4.008 1.809 0.405 1.00 0.22 H new ATOM 0 HA LEU A 5 3.330 2.178 -2.476 1.00 0.21 H new ATOM 0 HB2 LEU A 5 3.514 -0.304 -2.797 1.00 0.25 H new ATOM 0 HB3 LEU A 5 5.064 0.429 -2.432 1.00 0.25 H new ATOM 0 HG LEU A 5 3.351 -0.545 -0.154 1.00 0.29 H new ATOM 0 HD11 LEU A 5 4.390 -2.794 -0.373 1.00 0.38 H new ATOM 0 HD12 LEU A 5 3.384 -2.411 -1.790 1.00 0.38 H new ATOM 0 HD13 LEU A 5 5.156 -2.287 -1.898 1.00 0.38 H new ATOM 0 HD21 LEU A 5 5.580 -0.984 0.842 1.00 0.33 H new ATOM 0 HD22 LEU A 5 6.357 -0.475 -0.676 1.00 0.33 H new ATOM 0 HD23 LEU A 5 5.442 0.704 0.294 1.00 0.33 H new ATOM 84 N CYS A 6 1.033 1.153 -2.129 1.00 0.21 N ATOM 85 CA CYS A 6 -0.404 0.842 -1.845 1.00 0.22 C ATOM 86 C CYS A 6 -0.870 -0.200 -2.869 1.00 0.23 C ATOM 87 O CYS A 6 -0.728 -0.003 -4.062 1.00 0.27 O ATOM 88 CB CYS A 6 -1.241 2.124 -1.982 1.00 0.27 C ATOM 89 SG CYS A 6 -2.426 2.250 -0.619 1.00 0.30 S ATOM 0 H CYS A 6 1.238 1.329 -3.112 1.00 0.21 H new ATOM 0 HA CYS A 6 -0.523 0.455 -0.833 1.00 0.22 H new ATOM 0 HB2 CYS A 6 -0.586 2.995 -1.985 1.00 0.27 H new ATOM 0 HB3 CYS A 6 -1.771 2.120 -2.934 1.00 0.27 H new ATOM 94 N TYR A 7 -1.385 -1.318 -2.419 1.00 0.24 N ATOM 95 CA TYR A 7 -1.812 -2.384 -3.381 1.00 0.27 C ATOM 96 C TYR A 7 -3.106 -3.064 -2.929 1.00 0.22 C ATOM 97 O TYR A 7 -3.376 -3.196 -1.750 1.00 0.29 O ATOM 98 CB TYR A 7 -0.709 -3.451 -3.505 1.00 0.33 C ATOM 99 CG TYR A 7 0.019 -3.660 -2.193 1.00 0.30 C ATOM 100 CD1 TYR A 7 0.837 -2.652 -1.668 1.00 0.28 C ATOM 101 CD2 TYR A 7 -0.116 -4.874 -1.510 1.00 0.34 C ATOM 102 CE1 TYR A 7 1.510 -2.854 -0.460 1.00 0.30 C ATOM 103 CE2 TYR A 7 0.562 -5.076 -0.303 1.00 0.35 C ATOM 104 CZ TYR A 7 1.374 -4.066 0.223 1.00 0.33 C ATOM 105 OH TYR A 7 2.039 -4.267 1.414 1.00 0.39 O ATOM 0 H TYR A 7 -1.528 -1.539 -1.433 1.00 0.24 H new ATOM 0 HA TYR A 7 -1.987 -1.905 -4.344 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -1.149 -4.393 -3.831 1.00 0.33 H new ATOM 0 HB3 TYR A 7 0.004 -3.150 -4.273 1.00 0.33 H new ATOM 0 HD1 TYR A 7 0.948 -1.717 -2.197 1.00 0.28 H new ATOM 0 HD2 TYR A 7 -0.743 -5.655 -1.914 1.00 0.34 H new ATOM 0 HE1 TYR A 7 2.136 -2.073 -0.054 1.00 0.30 H new ATOM 0 HE2 TYR A 7 0.458 -6.013 0.223 1.00 0.35 H new ATOM 0 HH TYR A 7 1.834 -5.162 1.756 1.00 0.39 H new ATOM 115 N CYS A 8 -3.894 -3.520 -3.875 1.00 0.17 N ATOM 116 CA CYS A 8 -5.169 -4.226 -3.535 1.00 0.16 C ATOM 117 C CYS A 8 -4.959 -5.728 -3.688 1.00 0.16 C ATOM 118 O CYS A 8 -4.687 -6.224 -4.767 1.00 0.24 O ATOM 119 CB CYS A 8 -6.301 -3.736 -4.445 1.00 0.21 C ATOM 120 SG CYS A 8 -6.310 -1.922 -4.464 1.00 0.23 S ATOM 0 H CYS A 8 -3.706 -3.432 -4.874 1.00 0.17 H new ATOM 0 HA CYS A 8 -5.450 -4.009 -2.504 1.00 0.16 H new ATOM 0 HB2 CYS A 8 -6.164 -4.121 -5.455 1.00 0.21 H new ATOM 0 HB3 CYS A 8 -7.260 -4.112 -4.088 1.00 0.21 H new ATOM 125 N ARG A 9 -5.061 -6.449 -2.601 1.00 0.15 N ATOM 126 CA ARG A 9 -4.845 -7.920 -2.649 1.00 0.17 C ATOM 127 C ARG A 9 -6.182 -8.657 -2.524 1.00 0.15 C ATOM 128 O ARG A 9 -6.850 -8.602 -1.505 1.00 0.18 O ATOM 129 CB ARG A 9 -3.909 -8.332 -1.509 1.00 0.24 C ATOM 130 CG ARG A 9 -2.499 -7.794 -1.779 1.00 0.31 C ATOM 131 CD ARG A 9 -1.614 -8.912 -2.338 1.00 0.50 C ATOM 132 NE ARG A 9 -1.210 -8.567 -3.737 1.00 0.53 N ATOM 133 CZ ARG A 9 -0.213 -9.178 -4.323 1.00 0.71 C ATOM 134 NH1 ARG A 9 0.383 -10.183 -3.752 1.00 0.92 N ATOM 135 NH2 ARG A 9 0.191 -8.772 -5.487 1.00 0.82 N ATOM 0 H ARG A 9 -5.286 -6.077 -1.678 1.00 0.15 H new ATOM 0 HA ARG A 9 -4.392 -8.186 -3.604 1.00 0.17 H new ATOM 0 HB2 ARG A 9 -4.282 -7.944 -0.561 1.00 0.24 H new ATOM 0 HB3 ARG A 9 -3.884 -9.418 -1.421 1.00 0.24 H new ATOM 0 HG2 ARG A 9 -2.545 -6.966 -2.487 1.00 0.31 H new ATOM 0 HG3 ARG A 9 -2.067 -7.402 -0.858 1.00 0.31 H new ATOM 0 HD2 ARG A 9 -0.730 -9.040 -1.713 1.00 0.50 H new ATOM 0 HD3 ARG A 9 -2.153 -9.859 -2.326 1.00 0.50 H new ATOM 0 HE ARG A 9 -1.721 -7.843 -4.242 1.00 0.53 H new ATOM 0 HH11 ARG A 9 0.074 -10.505 -2.835 1.00 0.92 H new ATOM 0 HH12 ARG A 9 1.159 -10.649 -4.222 1.00 0.92 H new ATOM 0 HH21 ARG A 9 -0.268 -7.981 -5.939 1.00 0.82 H new ATOM 0 HH22 ARG A 9 0.968 -9.243 -5.950 1.00 0.82 H new ATOM 149 N ARG A 10 -6.558 -9.341 -3.575 1.00 0.21 N ATOM 150 CA ARG A 10 -7.831 -10.126 -3.615 1.00 0.26 C ATOM 151 C ARG A 10 -9.042 -9.217 -3.444 1.00 0.22 C ATOM 152 O ARG A 10 -9.861 -9.087 -4.337 1.00 0.25 O ATOM 153 CB ARG A 10 -7.817 -11.199 -2.517 1.00 0.34 C ATOM 154 CG ARG A 10 -9.091 -12.046 -2.609 1.00 0.45 C ATOM 155 CD ARG A 10 -9.110 -12.824 -3.932 1.00 0.54 C ATOM 156 NE ARG A 10 -9.754 -11.988 -4.997 1.00 0.55 N ATOM 157 CZ ARG A 10 -9.871 -12.431 -6.222 1.00 0.72 C ATOM 158 NH1 ARG A 10 -9.533 -13.650 -6.525 1.00 0.87 N ATOM 159 NH2 ARG A 10 -10.322 -11.643 -7.149 1.00 0.82 N ATOM 0 H ARG A 10 -6.015 -9.389 -4.437 1.00 0.21 H new ATOM 0 HA ARG A 10 -7.906 -10.608 -4.590 1.00 0.26 H new ATOM 0 HB2 ARG A 10 -6.938 -11.834 -2.626 1.00 0.34 H new ATOM 0 HB3 ARG A 10 -7.751 -10.729 -1.536 1.00 0.34 H new ATOM 0 HG2 ARG A 10 -9.138 -12.739 -1.769 1.00 0.45 H new ATOM 0 HG3 ARG A 10 -9.970 -11.404 -2.542 1.00 0.45 H new ATOM 0 HD2 ARG A 10 -8.094 -13.086 -4.226 1.00 0.54 H new ATOM 0 HD3 ARG A 10 -9.657 -13.759 -3.808 1.00 0.54 H new ATOM 0 HE ARG A 10 -10.106 -11.060 -4.763 1.00 0.55 H new ATOM 0 HH11 ARG A 10 -9.172 -14.273 -5.803 1.00 0.87 H new ATOM 0 HH12 ARG A 10 -9.629 -13.982 -7.484 1.00 0.87 H new ATOM 0 HH21 ARG A 10 -10.583 -10.684 -6.921 1.00 0.82 H new ATOM 0 HH22 ARG A 10 -10.415 -11.983 -8.106 1.00 0.82 H new ATOM 173 N ARG A 11 -9.165 -8.616 -2.304 1.00 0.19 N ATOM 174 CA ARG A 11 -10.318 -7.727 -2.031 1.00 0.22 C ATOM 175 C ARG A 11 -9.905 -6.588 -1.079 1.00 0.21 C ATOM 176 O ARG A 11 -10.752 -5.984 -0.439 1.00 0.28 O ATOM 177 CB ARG A 11 -11.422 -8.577 -1.388 1.00 0.30 C ATOM 178 CG ARG A 11 -12.758 -7.829 -1.421 1.00 0.37 C ATOM 179 CD ARG A 11 -13.362 -7.822 -0.015 1.00 0.44 C ATOM 180 NE ARG A 11 -12.754 -6.706 0.772 1.00 0.52 N ATOM 181 CZ ARG A 11 -13.235 -6.346 1.931 1.00 0.80 C ATOM 182 NH1 ARG A 11 -14.261 -6.956 2.451 1.00 0.99 N ATOM 183 NH2 ARG A 11 -12.679 -5.368 2.574 1.00 0.96 N ATOM 0 H ARG A 11 -8.503 -8.704 -1.533 1.00 0.19 H new ATOM 0 HA ARG A 11 -10.673 -7.276 -2.958 1.00 0.22 H new ATOM 0 HB2 ARG A 11 -11.515 -9.525 -1.918 1.00 0.30 H new ATOM 0 HB3 ARG A 11 -11.155 -8.813 -0.358 1.00 0.30 H new ATOM 0 HG2 ARG A 11 -12.609 -6.808 -1.771 1.00 0.37 H new ATOM 0 HG3 ARG A 11 -13.441 -8.310 -2.121 1.00 0.37 H new ATOM 0 HD2 ARG A 11 -14.443 -7.697 -0.071 1.00 0.44 H new ATOM 0 HD3 ARG A 11 -13.176 -8.776 0.479 1.00 0.44 H new ATOM 0 HE ARG A 11 -11.944 -6.214 0.395 1.00 0.52 H new ATOM 0 HH11 ARG A 11 -14.702 -7.728 1.952 1.00 0.99 H new ATOM 0 HH12 ARG A 11 -14.624 -6.662 3.358 1.00 0.99 H new ATOM 0 HH21 ARG A 11 -11.873 -4.887 2.174 1.00 0.96 H new ATOM 0 HH22 ARG A 11 -13.047 -5.079 3.480 1.00 0.96 H new ATOM 197 N PHE A 12 -8.626 -6.268 -0.962 1.00 0.17 N ATOM 198 CA PHE A 12 -8.272 -5.154 -0.025 1.00 0.19 C ATOM 199 C PHE A 12 -7.058 -4.349 -0.500 1.00 0.17 C ATOM 200 O PHE A 12 -5.996 -4.877 -0.772 1.00 0.18 O ATOM 201 CB PHE A 12 -8.034 -5.702 1.398 1.00 0.22 C ATOM 202 CG PHE A 12 -6.714 -6.430 1.505 1.00 0.20 C ATOM 203 CD1 PHE A 12 -6.640 -7.797 1.222 1.00 0.22 C ATOM 204 CD2 PHE A 12 -5.567 -5.738 1.911 1.00 0.26 C ATOM 205 CE1 PHE A 12 -5.422 -8.474 1.343 1.00 0.25 C ATOM 206 CE2 PHE A 12 -4.348 -6.413 2.029 1.00 0.29 C ATOM 207 CZ PHE A 12 -4.273 -7.780 1.746 1.00 0.25 C ATOM 0 H PHE A 12 -7.849 -6.711 -1.453 1.00 0.17 H new ATOM 0 HA PHE A 12 -9.120 -4.469 -0.009 1.00 0.19 H new ATOM 0 HB2 PHE A 12 -8.054 -4.879 2.113 1.00 0.22 H new ATOM 0 HB3 PHE A 12 -8.845 -6.378 1.668 1.00 0.22 H new ATOM 0 HD1 PHE A 12 -7.525 -8.331 0.909 1.00 0.22 H new ATOM 0 HD2 PHE A 12 -5.623 -4.683 2.133 1.00 0.26 H new ATOM 0 HE1 PHE A 12 -5.367 -9.531 1.126 1.00 0.25 H new ATOM 0 HE2 PHE A 12 -3.463 -5.877 2.339 1.00 0.29 H new ATOM 0 HZ PHE A 12 -3.331 -8.300 1.838 1.00 0.25 H new ATOM 217 N CYS A 13 -7.234 -3.051 -0.555 1.00 0.20 N ATOM 218 CA CYS A 13 -6.130 -2.123 -0.950 1.00 0.22 C ATOM 219 C CYS A 13 -5.387 -1.738 0.315 1.00 0.23 C ATOM 220 O CYS A 13 -5.969 -1.273 1.278 1.00 0.31 O ATOM 221 CB CYS A 13 -6.701 -0.883 -1.635 1.00 0.27 C ATOM 222 SG CYS A 13 -7.681 -1.396 -3.072 1.00 0.25 S ATOM 0 H CYS A 13 -8.116 -2.587 -0.338 1.00 0.20 H new ATOM 0 HA CYS A 13 -5.454 -2.606 -1.656 1.00 0.22 H new ATOM 0 HB2 CYS A 13 -7.322 -0.321 -0.938 1.00 0.27 H new ATOM 0 HB3 CYS A 13 -5.894 -0.221 -1.948 1.00 0.27 H new ATOM 227 N VAL A 14 -4.110 -1.969 0.331 1.00 0.23 N ATOM 228 CA VAL A 14 -3.309 -1.672 1.539 1.00 0.26 C ATOM 229 C VAL A 14 -2.312 -0.572 1.241 1.00 0.26 C ATOM 230 O VAL A 14 -1.926 -0.365 0.113 1.00 0.39 O ATOM 231 CB VAL A 14 -2.577 -2.945 1.949 1.00 0.28 C ATOM 232 CG1 VAL A 14 -1.649 -3.398 0.826 1.00 0.43 C ATOM 233 CG2 VAL A 14 -1.770 -2.705 3.222 1.00 0.52 C ATOM 0 H VAL A 14 -3.582 -2.356 -0.451 1.00 0.23 H new ATOM 0 HA VAL A 14 -3.958 -1.336 2.348 1.00 0.26 H new ATOM 0 HB VAL A 14 -3.314 -3.725 2.141 1.00 0.28 H new ATOM 0 HG11 VAL A 14 -1.130 -4.308 1.128 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -2.234 -3.595 -0.072 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -0.919 -2.616 0.619 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -1.253 -3.622 3.503 1.00 0.52 H new ATOM 0 HG22 VAL A 14 -1.039 -1.916 3.046 1.00 0.52 H new ATOM 0 HG23 VAL A 14 -2.441 -2.406 4.027 1.00 0.52 H new ATOM 243 N CYS A 15 -1.889 0.113 2.259 1.00 0.23 N ATOM 244 CA CYS A 15 -0.894 1.219 2.081 1.00 0.25 C ATOM 245 C CYS A 15 0.226 1.060 3.108 1.00 0.28 C ATOM 246 O CYS A 15 -0.006 1.092 4.301 1.00 0.34 O ATOM 247 CB CYS A 15 -1.587 2.570 2.270 1.00 0.29 C ATOM 248 SG CYS A 15 -1.538 3.488 0.709 1.00 0.35 S ATOM 0 H CYS A 15 -2.189 -0.042 3.222 1.00 0.23 H new ATOM 0 HA CYS A 15 -0.472 1.174 1.077 1.00 0.25 H new ATOM 0 HB2 CYS A 15 -2.620 2.422 2.586 1.00 0.29 H new ATOM 0 HB3 CYS A 15 -1.092 3.139 3.056 1.00 0.29 H new ATOM 253 N VAL A 16 1.438 0.876 2.650 1.00 0.28 N ATOM 254 CA VAL A 16 2.584 0.692 3.598 1.00 0.32 C ATOM 255 C VAL A 16 3.760 1.588 3.195 1.00 0.29 C ATOM 256 O VAL A 16 4.034 1.794 2.023 1.00 0.29 O ATOM 257 CB VAL A 16 3.013 -0.786 3.594 1.00 0.36 C ATOM 258 CG1 VAL A 16 2.999 -1.330 2.163 1.00 0.36 C ATOM 259 CG2 VAL A 16 4.423 -0.933 4.171 1.00 0.43 C ATOM 0 H VAL A 16 1.686 0.845 1.661 1.00 0.28 H new ATOM 0 HA VAL A 16 2.269 0.975 4.602 1.00 0.32 H new ATOM 0 HB VAL A 16 2.311 -1.350 4.209 1.00 0.36 H new ATOM 0 HG11 VAL A 16 3.304 -2.377 2.169 1.00 0.36 H new ATOM 0 HG12 VAL A 16 1.993 -1.247 1.752 1.00 0.36 H new ATOM 0 HG13 VAL A 16 3.690 -0.754 1.548 1.00 0.36 H new ATOM 0 HG21 VAL A 16 4.712 -1.984 4.162 1.00 0.43 H new ATOM 0 HG22 VAL A 16 5.125 -0.358 3.567 1.00 0.43 H new ATOM 0 HG23 VAL A 16 4.437 -0.562 5.196 1.00 0.43 H new ATOM 269 N GLY A 17 4.465 2.111 4.171 1.00 0.31 N ATOM 270 CA GLY A 17 5.641 2.995 3.883 1.00 0.34 C ATOM 271 C GLY A 17 6.911 2.151 3.761 1.00 0.34 C ATOM 272 O GLY A 17 7.899 2.397 4.434 1.00 0.39 O ATOM 0 H GLY A 17 4.275 1.962 5.162 1.00 0.31 H new ATOM 0 HA2 GLY A 17 5.473 3.549 2.960 1.00 0.34 H new ATOM 0 HA3 GLY A 17 5.758 3.730 4.679 1.00 0.34 H new ATOM 276 N ARG A 18 6.894 1.165 2.899 1.00 0.39 N ATOM 277 CA ARG A 18 8.090 0.290 2.711 1.00 0.46 C ATOM 278 C ARG A 18 8.509 0.300 1.226 1.00 0.43 C ATOM 279 O ARG A 18 8.583 -0.733 0.585 1.00 0.40 O ATOM 280 CB ARG A 18 7.734 -1.136 3.161 1.00 0.58 C ATOM 281 CG ARG A 18 9.015 -1.932 3.441 1.00 0.66 C ATOM 282 CD ARG A 18 8.947 -3.283 2.723 1.00 0.64 C ATOM 283 NE ARG A 18 8.849 -3.053 1.247 1.00 0.52 N ATOM 284 CZ ARG A 18 8.890 -4.046 0.402 1.00 0.78 C ATOM 285 NH1 ARG A 18 9.016 -5.272 0.815 1.00 0.91 N ATOM 286 NH2 ARG A 18 8.805 -3.802 -0.867 1.00 1.03 N ATOM 0 H ARG A 18 6.094 0.927 2.312 1.00 0.39 H new ATOM 0 HA ARG A 18 8.925 0.658 3.308 1.00 0.46 H new ATOM 0 HB2 ARG A 18 7.115 -1.100 4.058 1.00 0.58 H new ATOM 0 HB3 ARG A 18 7.148 -1.634 2.389 1.00 0.58 H new ATOM 0 HG2 ARG A 18 9.885 -1.371 3.101 1.00 0.66 H new ATOM 0 HG3 ARG A 18 9.133 -2.084 4.514 1.00 0.66 H new ATOM 0 HD2 ARG A 18 9.833 -3.875 2.953 1.00 0.64 H new ATOM 0 HD3 ARG A 18 8.085 -3.851 3.072 1.00 0.64 H new ATOM 0 HE ARG A 18 8.748 -2.101 0.895 1.00 0.52 H new ATOM 0 HH11 ARG A 18 9.084 -5.469 1.813 1.00 0.91 H new ATOM 0 HH12 ARG A 18 9.046 -6.037 0.141 1.00 0.91 H new ATOM 0 HH21 ARG A 18 8.707 -2.842 -1.196 1.00 1.03 H new ATOM 0 HH22 ARG A 18 8.836 -4.570 -1.537 1.00 1.03 H new