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 7.005 4.517 -0.138 1.00 0.33 N ATOM 42 CA ARG A 4 5.713 3.915 0.320 1.00 0.28 C ATOM 43 C ARG A 4 5.038 3.166 -0.838 1.00 0.28 C ATOM 44 O ARG A 4 5.465 3.244 -1.977 1.00 0.37 O ATOM 45 CB ARG A 4 4.771 5.012 0.855 1.00 0.36 C ATOM 46 CG ARG A 4 4.856 6.279 -0.012 1.00 0.46 C ATOM 47 CD ARG A 4 4.331 5.994 -1.423 1.00 0.49 C ATOM 48 NE ARG A 4 2.939 5.439 -1.345 1.00 0.48 N ATOM 49 CZ ARG A 4 1.891 6.219 -1.442 1.00 0.60 C ATOM 50 NH1 ARG A 4 2.020 7.513 -1.485 1.00 0.76 N ATOM 51 NH2 ARG A 4 0.710 5.694 -1.507 1.00 0.67 N ATOM 0 HA ARG A 4 5.924 3.210 1.124 1.00 0.28 H new ATOM 0 HB2 ARG A 4 3.746 4.643 0.867 1.00 0.36 H new ATOM 0 HB3 ARG A 4 5.035 5.253 1.885 1.00 0.36 H new ATOM 0 HG2 ARG A 4 4.275 7.080 0.445 1.00 0.46 H new ATOM 0 HG3 ARG A 4 5.889 6.624 -0.064 1.00 0.46 H new ATOM 0 HD2 ARG A 4 4.335 6.910 -2.014 1.00 0.49 H new ATOM 0 HD3 ARG A 4 4.987 5.286 -1.929 1.00 0.49 H new ATOM 0 HE ARG A 4 2.806 4.436 -1.214 1.00 0.48 H new ATOM 0 HH11 ARG A 4 2.948 7.935 -1.443 1.00 0.76 H new ATOM 0 HH12 ARG A 4 1.193 8.106 -1.561 1.00 0.76 H new ATOM 0 HH21 ARG A 4 0.601 4.680 -1.483 1.00 0.67 H new ATOM 0 HH22 ARG A 4 -0.111 6.294 -1.583 1.00 0.67 H new ATOM 65 N LEU A 5 3.995 2.429 -0.550 1.00 0.25 N ATOM 66 CA LEU A 5 3.289 1.657 -1.623 1.00 0.29 C ATOM 67 C LEU A 5 1.885 1.267 -1.168 1.00 0.21 C ATOM 68 O LEU A 5 1.591 1.190 0.015 1.00 0.24 O ATOM 69 CB LEU A 5 4.063 0.379 -1.932 1.00 0.41 C ATOM 70 CG LEU A 5 4.400 -0.296 -0.617 1.00 0.44 C ATOM 71 CD1 LEU A 5 4.414 -1.810 -0.801 1.00 0.63 C ATOM 72 CD2 LEU A 5 5.774 0.169 -0.131 1.00 0.52 C ATOM 0 H LEU A 5 3.599 2.327 0.385 1.00 0.25 H new ATOM 0 HA LEU A 5 3.225 2.288 -2.509 1.00 0.29 H new ATOM 0 HB2 LEU A 5 3.468 -0.285 -2.559 1.00 0.41 H new ATOM 0 HB3 LEU A 5 4.973 0.609 -2.486 1.00 0.41 H new ATOM 0 HG LEU A 5 3.645 -0.028 0.122 1.00 0.44 H new ATOM 0 HD11 LEU A 5 4.657 -2.290 0.147 1.00 0.63 H new ATOM 0 HD12 LEU A 5 3.432 -2.145 -1.136 1.00 0.63 H new ATOM 0 HD13 LEU A 5 5.163 -2.079 -1.546 1.00 0.63 H new ATOM 0 HD21 LEU A 5 6.010 -0.320 0.814 1.00 0.52 H new ATOM 0 HD22 LEU A 5 6.529 -0.091 -0.873 1.00 0.52 H new ATOM 0 HD23 LEU A 5 5.763 1.250 0.012 1.00 0.52 H new ATOM 84 N CYS A 6 1.031 0.994 -2.112 1.00 0.20 N ATOM 85 CA CYS A 6 -0.357 0.574 -1.783 1.00 0.19 C ATOM 86 C CYS A 6 -0.846 -0.383 -2.861 1.00 0.21 C ATOM 87 O CYS A 6 -0.698 -0.128 -4.043 1.00 0.27 O ATOM 88 CB CYS A 6 -1.288 1.790 -1.722 1.00 0.30 C ATOM 89 SG CYS A 6 -0.709 2.943 -0.453 1.00 0.34 S ATOM 0 H CYS A 6 1.238 1.045 -3.109 1.00 0.20 H new ATOM 0 HA CYS A 6 -0.362 0.085 -0.809 1.00 0.19 H new ATOM 0 HB2 CYS A 6 -1.316 2.287 -2.692 1.00 0.30 H new ATOM 0 HB3 CYS A 6 -2.305 1.470 -1.498 1.00 0.30 H new ATOM 94 N TYR A 7 -1.412 -1.485 -2.466 1.00 0.25 N ATOM 95 CA TYR A 7 -1.899 -2.475 -3.481 1.00 0.37 C ATOM 96 C TYR A 7 -3.231 -3.097 -3.063 1.00 0.32 C ATOM 97 O TYR A 7 -3.497 -3.311 -1.892 1.00 0.27 O ATOM 98 CB TYR A 7 -0.873 -3.605 -3.660 1.00 0.47 C ATOM 99 CG TYR A 7 -0.057 -3.801 -2.406 1.00 0.42 C ATOM 100 CD1 TYR A 7 -0.682 -4.185 -1.215 1.00 0.49 C ATOM 101 CD2 TYR A 7 1.325 -3.609 -2.441 1.00 0.68 C ATOM 102 CE1 TYR A 7 0.080 -4.374 -0.059 1.00 0.49 C ATOM 103 CE2 TYR A 7 2.086 -3.805 -1.286 1.00 0.84 C ATOM 104 CZ TYR A 7 1.462 -4.186 -0.095 1.00 0.65 C ATOM 105 OH TYR A 7 2.209 -4.392 1.043 1.00 0.84 O ATOM 0 H TYR A 7 -1.561 -1.749 -1.492 1.00 0.25 H new ATOM 0 HA TYR A 7 -2.035 -1.934 -4.417 1.00 0.37 H new ATOM 0 HB2 TYR A 7 -1.388 -4.532 -3.911 1.00 0.47 H new ATOM 0 HB3 TYR A 7 -0.212 -3.372 -4.495 1.00 0.47 H new ATOM 0 HD1 TYR A 7 -1.751 -4.335 -1.189 1.00 0.49 H new ATOM 0 HD2 TYR A 7 1.806 -3.309 -3.360 1.00 0.68 H new ATOM 0 HE1 TYR A 7 -0.401 -4.666 0.863 1.00 0.49 H new ATOM 0 HE2 TYR A 7 3.156 -3.662 -1.313 1.00 0.84 H new ATOM 0 HH TYR A 7 3.154 -4.220 0.850 1.00 0.84 H new ATOM 115 N CYS A 8 -4.049 -3.431 -4.031 1.00 0.36 N ATOM 116 CA CYS A 8 -5.351 -4.090 -3.727 1.00 0.34 C ATOM 117 C CYS A 8 -5.146 -5.590 -3.798 1.00 0.34 C ATOM 118 O CYS A 8 -5.179 -6.192 -4.857 1.00 0.44 O ATOM 119 CB CYS A 8 -6.437 -3.661 -4.716 1.00 0.44 C ATOM 120 SG CYS A 8 -7.600 -2.546 -3.885 1.00 0.51 S ATOM 0 H CYS A 8 -3.867 -3.273 -5.022 1.00 0.36 H new ATOM 0 HA CYS A 8 -5.683 -3.794 -2.732 1.00 0.34 H new ATOM 0 HB2 CYS A 8 -5.987 -3.161 -5.574 1.00 0.44 H new ATOM 0 HB3 CYS A 8 -6.964 -4.536 -5.097 1.00 0.44 H new ATOM 125 N ARG A 9 -4.937 -6.196 -2.667 1.00 0.27 N ATOM 126 CA ARG A 9 -4.731 -7.661 -2.635 1.00 0.34 C ATOM 127 C ARG A 9 -6.099 -8.331 -2.526 1.00 0.33 C ATOM 128 O ARG A 9 -7.119 -7.675 -2.391 1.00 0.28 O ATOM 129 CB ARG A 9 -3.871 -8.031 -1.418 1.00 0.37 C ATOM 130 CG ARG A 9 -2.407 -7.665 -1.685 1.00 0.68 C ATOM 131 CD ARG A 9 -1.499 -8.508 -0.787 1.00 0.68 C ATOM 132 NE ARG A 9 -0.194 -7.800 -0.589 1.00 0.55 N ATOM 133 CZ ARG A 9 0.779 -8.351 0.095 1.00 0.62 C ATOM 134 NH1 ARG A 9 0.683 -9.576 0.522 1.00 0.92 N ATOM 135 NH2 ARG A 9 1.846 -7.659 0.364 1.00 0.65 N ATOM 0 H ARG A 9 -4.900 -5.734 -1.759 1.00 0.27 H new ATOM 0 HA ARG A 9 -4.221 -7.994 -3.539 1.00 0.34 H new ATOM 0 HB2 ARG A 9 -4.231 -7.505 -0.534 1.00 0.37 H new ATOM 0 HB3 ARG A 9 -3.957 -9.098 -1.212 1.00 0.37 H new ATOM 0 HG2 ARG A 9 -2.163 -7.839 -2.733 1.00 0.68 H new ATOM 0 HG3 ARG A 9 -2.245 -6.605 -1.491 1.00 0.68 H new ATOM 0 HD2 ARG A 9 -1.981 -8.681 0.175 1.00 0.68 H new ATOM 0 HD3 ARG A 9 -1.330 -9.485 -1.239 1.00 0.68 H new ATOM 0 HE ARG A 9 -0.060 -6.873 -0.993 1.00 0.55 H new ATOM 0 HH11 ARG A 9 -0.157 -10.120 0.326 1.00 0.92 H new ATOM 0 HH12 ARG A 9 1.448 -9.992 1.053 1.00 0.92 H new ATOM 0 HH21 ARG A 9 1.922 -6.694 0.043 1.00 0.65 H new ATOM 0 HH22 ARG A 9 2.607 -8.081 0.896 1.00 0.65 H new ATOM 149 N ARG A 10 -6.124 -9.629 -2.570 1.00 0.41 N ATOM 150 CA ARG A 10 -7.415 -10.373 -2.467 1.00 0.42 C ATOM 151 C ARG A 10 -8.160 -9.961 -1.197 1.00 0.31 C ATOM 152 O ARG A 10 -9.359 -10.156 -1.084 1.00 0.33 O ATOM 153 CB ARG A 10 -7.125 -11.869 -2.415 1.00 0.56 C ATOM 154 CG ARG A 10 -8.175 -12.630 -3.232 1.00 0.63 C ATOM 155 CD ARG A 10 -9.320 -13.071 -2.317 1.00 0.49 C ATOM 156 NE ARG A 10 -10.586 -13.147 -3.114 1.00 0.55 N ATOM 157 CZ ARG A 10 -11.362 -12.104 -3.276 1.00 0.61 C ATOM 158 NH1 ARG A 10 -11.121 -10.978 -2.665 1.00 0.58 N ATOM 159 NH2 ARG A 10 -12.393 -12.193 -4.059 1.00 0.82 N ATOM 0 H ARG A 10 -5.298 -10.218 -2.674 1.00 0.41 H new ATOM 0 HA ARG A 10 -8.033 -10.140 -3.334 1.00 0.42 H new ATOM 0 HB2 ARG A 10 -6.129 -12.070 -2.809 1.00 0.56 H new ATOM 0 HB3 ARG A 10 -7.134 -12.215 -1.381 1.00 0.56 H new ATOM 0 HG2 ARG A 10 -8.559 -11.995 -4.031 1.00 0.63 H new ATOM 0 HG3 ARG A 10 -7.720 -13.500 -3.707 1.00 0.63 H new ATOM 0 HD2 ARG A 10 -9.095 -14.042 -1.876 1.00 0.49 H new ATOM 0 HD3 ARG A 10 -9.436 -12.366 -1.494 1.00 0.49 H new ATOM 0 HE ARG A 10 -10.851 -14.034 -3.542 1.00 0.55 H new ATOM 0 HH11 ARG A 10 -10.315 -10.896 -2.046 1.00 0.58 H new ATOM 0 HH12 ARG A 10 -11.739 -10.179 -2.806 1.00 0.58 H new ATOM 0 HH21 ARG A 10 -12.593 -13.069 -4.541 1.00 0.82 H new ATOM 0 HH22 ARG A 10 -13.004 -11.387 -4.192 1.00 0.82 H new ATOM 173 N ARG A 11 -7.454 -9.410 -0.246 1.00 0.30 N ATOM 174 CA ARG A 11 -8.094 -8.991 1.025 1.00 0.34 C ATOM 175 C ARG A 11 -8.436 -7.493 1.013 1.00 0.28 C ATOM 176 O ARG A 11 -9.303 -7.087 1.764 1.00 0.40 O ATOM 177 CB ARG A 11 -7.144 -9.294 2.192 1.00 0.50 C ATOM 178 CG ARG A 11 -7.963 -9.586 3.456 1.00 0.64 C ATOM 179 CD ARG A 11 -7.731 -8.483 4.494 1.00 0.78 C ATOM 180 NE ARG A 11 -8.617 -7.316 4.186 1.00 0.77 N ATOM 181 CZ ARG A 11 -8.768 -6.337 5.037 1.00 1.06 C ATOM 182 NH1 ARG A 11 -8.074 -6.296 6.136 1.00 1.35 N ATOM 183 NH2 ARG A 11 -9.622 -5.394 4.778 1.00 1.18 N ATOM 0 H ARG A 11 -6.451 -9.232 -0.301 1.00 0.30 H new ATOM 0 HA ARG A 11 -9.024 -9.547 1.142 1.00 0.34 H new ATOM 0 HB2 ARG A 11 -6.513 -10.149 1.949 1.00 0.50 H new ATOM 0 HB3 ARG A 11 -6.480 -8.447 2.364 1.00 0.50 H new ATOM 0 HG2 ARG A 11 -9.023 -9.646 3.207 1.00 0.64 H new ATOM 0 HG3 ARG A 11 -7.677 -10.553 3.870 1.00 0.64 H new ATOM 0 HD2 ARG A 11 -7.942 -8.860 5.495 1.00 0.78 H new ATOM 0 HD3 ARG A 11 -6.686 -8.173 4.484 1.00 0.78 H new ATOM 0 HE ARG A 11 -9.112 -7.285 3.295 1.00 0.77 H new ATOM 0 HH11 ARG A 11 -7.401 -7.035 6.342 1.00 1.35 H new ATOM 0 HH12 ARG A 11 -8.202 -5.525 6.792 1.00 1.35 H new ATOM 0 HH21 ARG A 11 -10.167 -5.422 3.916 1.00 1.18 H new ATOM 0 HH22 ARG A 11 -9.748 -4.625 5.436 1.00 1.18 H new ATOM 197 N PHE A 12 -7.783 -6.668 0.186 1.00 0.18 N ATOM 198 CA PHE A 12 -8.103 -5.190 0.166 1.00 0.24 C ATOM 199 C PHE A 12 -6.936 -4.372 -0.395 1.00 0.18 C ATOM 200 O PHE A 12 -5.876 -4.879 -0.716 1.00 0.14 O ATOM 201 CB PHE A 12 -8.372 -4.649 1.593 1.00 0.38 C ATOM 202 CG PHE A 12 -7.093 -4.624 2.426 1.00 0.40 C ATOM 203 CD1 PHE A 12 -6.364 -5.801 2.659 1.00 0.44 C ATOM 204 CD2 PHE A 12 -6.653 -3.418 2.993 1.00 0.51 C ATOM 205 CE1 PHE A 12 -5.208 -5.770 3.446 1.00 0.57 C ATOM 206 CE2 PHE A 12 -5.501 -3.392 3.785 1.00 0.58 C ATOM 207 CZ PHE A 12 -4.779 -4.567 4.012 1.00 0.61 C ATOM 0 H PHE A 12 -7.053 -6.959 -0.464 1.00 0.18 H new ATOM 0 HA PHE A 12 -8.988 -5.086 -0.462 1.00 0.24 H new ATOM 0 HB2 PHE A 12 -8.788 -3.643 1.531 1.00 0.38 H new ATOM 0 HB3 PHE A 12 -9.118 -5.272 2.086 1.00 0.38 H new ATOM 0 HD1 PHE A 12 -6.697 -6.734 2.229 1.00 0.44 H new ATOM 0 HD2 PHE A 12 -7.206 -2.507 2.817 1.00 0.51 H new ATOM 0 HE1 PHE A 12 -4.647 -6.677 3.616 1.00 0.57 H new ATOM 0 HE2 PHE A 12 -5.168 -2.462 4.222 1.00 0.58 H new ATOM 0 HZ PHE A 12 -3.890 -4.545 4.625 1.00 0.61 H new ATOM 217 N CYS A 13 -7.137 -3.081 -0.434 1.00 0.27 N ATOM 218 CA CYS A 13 -6.073 -2.135 -0.883 1.00 0.28 C ATOM 219 C CYS A 13 -5.266 -1.764 0.348 1.00 0.23 C ATOM 220 O CYS A 13 -5.780 -1.211 1.303 1.00 0.34 O ATOM 221 CB CYS A 13 -6.691 -0.887 -1.518 1.00 0.42 C ATOM 222 SG CYS A 13 -6.478 -0.964 -3.316 1.00 0.53 S ATOM 0 H CYS A 13 -8.014 -2.633 -0.167 1.00 0.27 H new ATOM 0 HA CYS A 13 -5.438 -2.597 -1.639 1.00 0.28 H new ATOM 0 HB2 CYS A 13 -7.750 -0.824 -1.268 1.00 0.42 H new ATOM 0 HB3 CYS A 13 -6.216 0.010 -1.122 1.00 0.42 H new ATOM 227 N VAL A 14 -4.015 -2.111 0.344 1.00 0.17 N ATOM 228 CA VAL A 14 -3.155 -1.852 1.523 1.00 0.19 C ATOM 229 C VAL A 14 -2.254 -0.654 1.254 1.00 0.24 C ATOM 230 O VAL A 14 -1.916 -0.378 0.123 1.00 0.42 O ATOM 231 CB VAL A 14 -2.306 -3.101 1.761 1.00 0.31 C ATOM 232 CG1 VAL A 14 -1.847 -3.150 3.213 1.00 0.48 C ATOM 233 CG2 VAL A 14 -3.122 -4.359 1.438 1.00 0.32 C ATOM 0 H VAL A 14 -3.546 -2.569 -0.437 1.00 0.17 H new ATOM 0 HA VAL A 14 -3.764 -1.632 2.400 1.00 0.19 H new ATOM 0 HB VAL A 14 -1.433 -3.062 1.109 1.00 0.31 H new ATOM 0 HG11 VAL A 14 -1.243 -4.043 3.374 1.00 0.48 H new ATOM 0 HG12 VAL A 14 -1.252 -2.264 3.437 1.00 0.48 H new ATOM 0 HG13 VAL A 14 -2.717 -3.178 3.869 1.00 0.48 H new ATOM 0 HG21 VAL A 14 -2.510 -5.244 1.610 1.00 0.32 H new ATOM 0 HG22 VAL A 14 -4.002 -4.396 2.080 1.00 0.32 H new ATOM 0 HG23 VAL A 14 -3.435 -4.332 0.394 1.00 0.32 H new ATOM 243 N CYS A 15 -1.862 0.050 2.290 1.00 0.23 N ATOM 244 CA CYS A 15 -0.968 1.241 2.122 1.00 0.27 C ATOM 245 C CYS A 15 0.166 1.158 3.150 1.00 0.31 C ATOM 246 O CYS A 15 -0.070 1.209 4.344 1.00 0.45 O ATOM 247 CB CYS A 15 -1.773 2.523 2.350 1.00 0.33 C ATOM 248 SG CYS A 15 -2.305 3.196 0.757 1.00 0.33 S ATOM 0 H CYS A 15 -2.126 -0.152 3.254 1.00 0.23 H new ATOM 0 HA CYS A 15 -0.554 1.253 1.114 1.00 0.27 H new ATOM 0 HB2 CYS A 15 -2.641 2.313 2.976 1.00 0.33 H new ATOM 0 HB3 CYS A 15 -1.166 3.256 2.882 1.00 0.33 H new ATOM 253 N VAL A 16 1.389 1.010 2.702 1.00 0.28 N ATOM 254 CA VAL A 16 2.534 0.899 3.665 1.00 0.31 C ATOM 255 C VAL A 16 3.722 1.764 3.206 1.00 0.26 C ATOM 256 O VAL A 16 3.909 2.022 2.029 1.00 0.28 O ATOM 257 CB VAL A 16 2.956 -0.578 3.766 1.00 0.39 C ATOM 258 CG1 VAL A 16 3.116 -1.173 2.366 1.00 0.52 C ATOM 259 CG2 VAL A 16 4.284 -0.698 4.517 1.00 0.35 C ATOM 0 H VAL A 16 1.645 0.961 1.716 1.00 0.28 H new ATOM 0 HA VAL A 16 2.218 1.261 4.643 1.00 0.31 H new ATOM 0 HB VAL A 16 2.183 -1.123 4.308 1.00 0.39 H new ATOM 0 HG11 VAL A 16 3.415 -2.218 2.447 1.00 0.52 H new ATOM 0 HG12 VAL A 16 2.168 -1.107 1.832 1.00 0.52 H new ATOM 0 HG13 VAL A 16 3.879 -0.619 1.820 1.00 0.52 H new ATOM 0 HG21 VAL A 16 4.572 -1.747 4.582 1.00 0.35 H new ATOM 0 HG22 VAL A 16 5.055 -0.143 3.983 1.00 0.35 H new ATOM 0 HG23 VAL A 16 4.172 -0.290 5.521 1.00 0.35 H new ATOM 269 N GLY A 17 4.528 2.205 4.149 1.00 0.32 N ATOM 270 CA GLY A 17 5.721 3.051 3.815 1.00 0.29 C ATOM 271 C GLY A 17 7.005 2.254 4.070 1.00 0.32 C ATOM 272 O GLY A 17 7.843 2.641 4.872 1.00 0.42 O ATOM 0 H GLY A 17 4.408 2.012 5.143 1.00 0.32 H new ATOM 0 HA2 GLY A 17 5.677 3.364 2.772 1.00 0.29 H new ATOM 0 HA3 GLY A 17 5.717 3.957 4.420 1.00 0.29 H new ATOM 276 N ARG A 18 7.163 1.141 3.394 1.00 0.32 N ATOM 277 CA ARG A 18 8.385 0.294 3.586 1.00 0.44 C ATOM 278 C ARG A 18 9.411 0.561 2.464 1.00 0.46 C ATOM 279 O ARG A 18 10.128 -0.329 2.043 1.00 0.59 O ATOM 280 CB ARG A 18 7.969 -1.183 3.599 1.00 0.53 C ATOM 281 CG ARG A 18 7.311 -1.557 2.268 1.00 0.52 C ATOM 282 CD ARG A 18 7.971 -2.819 1.721 1.00 0.65 C ATOM 283 NE ARG A 18 9.327 -2.474 1.192 1.00 0.64 N ATOM 284 CZ ARG A 18 9.992 -3.301 0.430 1.00 0.71 C ATOM 285 NH1 ARG A 18 9.545 -4.498 0.193 1.00 0.80 N ATOM 286 NH2 ARG A 18 11.115 -2.918 -0.095 1.00 0.76 N ATOM 0 H ARG A 18 6.494 0.780 2.713 1.00 0.32 H new ATOM 0 HA ARG A 18 8.858 0.546 4.535 1.00 0.44 H new ATOM 0 HB2 ARG A 18 8.842 -1.813 3.772 1.00 0.53 H new ATOM 0 HB3 ARG A 18 7.276 -1.366 4.420 1.00 0.53 H new ATOM 0 HG2 ARG A 18 6.243 -1.723 2.410 1.00 0.52 H new ATOM 0 HG3 ARG A 18 7.414 -0.739 1.555 1.00 0.52 H new ATOM 0 HD2 ARG A 18 8.054 -3.570 2.506 1.00 0.65 H new ATOM 0 HD3 ARG A 18 7.358 -3.251 0.930 1.00 0.65 H new ATOM 0 HE ARG A 18 9.742 -1.573 1.431 1.00 0.64 H new ATOM 0 HH11 ARG A 18 8.663 -4.804 0.604 1.00 0.80 H new ATOM 0 HH12 ARG A 18 10.076 -5.132 -0.404 1.00 0.80 H new ATOM 0 HH21 ARG A 18 11.470 -1.980 0.089 1.00 0.76 H new ATOM 0 HH22 ARG A 18 11.643 -3.555 -0.692 1.00 0.76 H new