USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 139 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.477 12.645 -2.039 1.00 0.00 N ATOM 2 CA PRO A 1 0.993 12.301 -3.352 1.00 0.00 C ATOM 3 C PRO A 1 1.717 10.937 -3.367 1.00 0.00 C ATOM 4 O PRO A 1 2.006 10.385 -4.434 1.00 0.00 O ATOM 5 CB PRO A 1 1.982 13.428 -3.627 1.00 0.00 C ATOM 6 CG PRO A 1 2.507 13.812 -2.281 1.00 0.00 C ATOM 7 CD PRO A 1 1.405 13.523 -1.288 1.00 0.00 C ATOM 0 H2 PRO A 1 0.312 11.791 -1.506 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.424 13.112 -2.141 1.00 0.00 H new ATOM 0 HA PRO A 1 0.201 12.204 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.785 13.097 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.495 14.271 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.405 13.244 -2.039 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.782 14.867 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.789 13.029 -0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.912 14.438 -0.959 1.00 0.00 H new ATOM 15 N VAL A 2 1.961 10.386 -2.199 1.00 0.00 N ATOM 16 CA VAL A 2 2.752 9.181 -2.082 1.00 0.00 C ATOM 17 C VAL A 2 1.844 7.950 -2.097 1.00 0.00 C ATOM 18 O VAL A 2 0.734 7.983 -1.583 1.00 0.00 O ATOM 19 CB VAL A 2 3.588 9.183 -0.770 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.586 8.039 -0.757 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.297 10.515 -0.564 1.00 0.00 C ATOM 0 H VAL A 2 1.621 10.756 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 2 3.433 9.147 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 2 2.894 9.041 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.157 8.065 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.053 7.091 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.265 8.139 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.872 10.482 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.969 10.703 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.559 11.315 -0.504 1.00 0.00 H new ATOM 31 N THR A 3 2.290 6.897 -2.721 1.00 0.00 N ATOM 32 CA THR A 3 1.565 5.665 -2.733 1.00 0.00 C ATOM 33 C THR A 3 2.492 4.538 -2.274 1.00 0.00 C ATOM 34 O THR A 3 3.605 4.381 -2.799 1.00 0.00 O ATOM 35 CB THR A 3 1.021 5.375 -4.142 1.00 0.00 C ATOM 36 OG1 THR A 3 0.341 6.556 -4.624 1.00 0.00 O ATOM 37 CG2 THR A 3 0.037 4.210 -4.115 1.00 0.00 C ATOM 0 H THR A 3 3.170 6.872 -3.236 1.00 0.00 H new ATOM 0 HA THR A 3 0.716 5.736 -2.053 1.00 0.00 H new ATOM 0 HB THR A 3 1.852 5.111 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.011 6.387 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.334 4.024 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.540 3.317 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.799 4.455 -3.460 1.00 0.00 H new ATOM 45 N TRP A 4 2.057 3.803 -1.289 1.00 0.00 N ATOM 46 CA TRP A 4 2.817 2.708 -0.742 1.00 0.00 C ATOM 47 C TRP A 4 2.124 1.415 -1.067 1.00 0.00 C ATOM 48 O TRP A 4 0.978 1.217 -0.677 1.00 0.00 O ATOM 49 CB TRP A 4 2.940 2.837 0.780 1.00 0.00 C ATOM 50 CG TRP A 4 3.691 4.040 1.235 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.189 5.285 1.476 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.087 4.110 1.514 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.196 6.123 1.878 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.372 5.424 1.910 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.123 3.184 1.462 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.651 5.835 2.256 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.397 3.587 1.805 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.651 4.904 2.200 1.00 0.00 C ATOM 0 H TRP A 4 1.154 3.947 -0.836 1.00 0.00 H new ATOM 0 HA TRP A 4 3.816 2.726 -1.179 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.940 2.862 1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.433 1.946 1.170 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.153 5.568 1.366 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.087 7.109 2.115 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.933 2.165 1.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.850 6.853 2.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.209 2.876 1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.657 5.192 2.466 1.00 0.00 H new ATOM 69 N CYS A 5 2.781 0.564 -1.788 1.00 0.00 N ATOM 70 CA CYS A 5 2.230 -0.726 -2.105 1.00 0.00 C ATOM 71 C CYS A 5 2.833 -1.788 -1.221 1.00 0.00 C ATOM 72 O CYS A 5 3.962 -2.254 -1.431 1.00 0.00 O ATOM 73 CB CYS A 5 2.383 -1.058 -3.584 1.00 0.00 C ATOM 74 SG CYS A 5 1.431 0.046 -4.688 1.00 0.00 S ATOM 0 H CYS A 5 3.709 0.736 -2.174 1.00 0.00 H new ATOM 0 HA CYS A 5 1.159 -0.695 -1.906 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.438 -1.003 -3.852 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.064 -2.087 -3.751 1.00 0.00 H new ATOM 79 N VAL A 6 2.093 -2.132 -0.206 1.00 0.00 N ATOM 80 CA VAL A 6 2.507 -3.106 0.758 1.00 0.00 C ATOM 81 C VAL A 6 1.814 -4.413 0.435 1.00 0.00 C ATOM 82 O VAL A 6 0.586 -4.501 0.498 1.00 0.00 O ATOM 83 CB VAL A 6 2.125 -2.659 2.200 1.00 0.00 C ATOM 84 CG1 VAL A 6 2.639 -3.646 3.237 1.00 0.00 C ATOM 85 CG2 VAL A 6 2.646 -1.257 2.493 1.00 0.00 C ATOM 0 H VAL A 6 1.171 -1.736 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 6 3.590 -3.220 0.715 1.00 0.00 H new ATOM 0 HB VAL A 6 1.037 -2.640 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.357 -3.307 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.204 -4.628 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.725 -3.711 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.366 -0.969 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.732 -1.246 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.214 -0.552 1.783 1.00 0.00 H new ATOM 95 N ARG A 7 2.566 -5.399 0.046 1.00 0.00 N ATOM 96 CA ARG A 7 1.986 -6.672 -0.269 1.00 0.00 C ATOM 97 C ARG A 7 1.855 -7.501 1.003 1.00 0.00 C ATOM 98 O ARG A 7 2.847 -7.887 1.637 1.00 0.00 O ATOM 99 CB ARG A 7 2.758 -7.420 -1.390 1.00 0.00 C ATOM 100 CG ARG A 7 4.160 -7.890 -1.028 1.00 0.00 C ATOM 101 CD ARG A 7 4.858 -8.536 -2.207 1.00 0.00 C ATOM 102 NE ARG A 7 6.140 -9.139 -1.814 1.00 0.00 N ATOM 103 CZ ARG A 7 7.355 -8.658 -2.118 1.00 0.00 C ATOM 104 NH1 ARG A 7 7.485 -7.467 -2.694 1.00 0.00 N ATOM 105 NH2 ARG A 7 8.439 -9.359 -1.812 1.00 0.00 N ATOM 0 H ARG A 7 3.579 -5.348 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 7 0.989 -6.503 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.171 -8.287 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.828 -6.764 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.748 -7.042 -0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.104 -8.602 -0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.212 -9.301 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.029 -7.790 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 7 6.102 -9.997 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.657 -6.911 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.413 -7.109 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.348 -10.262 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.364 -8.995 -2.042 1.00 0.00 H new ATOM 119 N ILE A 8 0.649 -7.688 1.412 1.00 0.00 N ATOM 120 CA ILE A 8 0.330 -8.465 2.567 1.00 0.00 C ATOM 121 C ILE A 8 -0.293 -9.757 2.073 1.00 0.00 C ATOM 122 O ILE A 8 -1.458 -9.764 1.665 1.00 0.00 O ATOM 123 CB ILE A 8 -0.652 -7.703 3.501 1.00 0.00 C ATOM 124 CG1 ILE A 8 -0.008 -6.385 3.969 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.042 -8.571 4.695 1.00 0.00 C ATOM 126 CD1 ILE A 8 -0.909 -5.506 4.807 1.00 0.00 C ATOM 0 H ILE A 8 -0.167 -7.296 0.943 1.00 0.00 H new ATOM 0 HA ILE A 8 1.228 -8.665 3.152 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.561 -7.471 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.888 -6.618 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.314 -5.822 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.730 -8.020 5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.527 -9.481 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.148 -8.833 5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.372 -4.601 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.794 -5.237 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.211 -6.046 5.705 1.00 0.00 H new ATOM 152 N PRO A 10 -1.616 -12.184 -0.340 1.00 0.00 N ATOM 153 CA PRO A 10 -2.110 -12.004 -1.701 1.00 0.00 C ATOM 154 C PRO A 10 -2.627 -10.577 -1.960 1.00 0.00 C ATOM 155 O PRO A 10 -2.993 -10.234 -3.081 1.00 0.00 O ATOM 156 CB PRO A 10 -3.271 -12.989 -1.752 1.00 0.00 C ATOM 157 CG PRO A 10 -3.837 -12.970 -0.368 1.00 0.00 C ATOM 158 CD PRO A 10 -2.675 -12.700 0.563 1.00 0.00 C ATOM 0 HA PRO A 10 -1.333 -12.164 -2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.015 -12.688 -2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.933 -13.987 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.600 -12.198 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.313 -13.921 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.937 -11.972 1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.356 -13.606 1.079 1.00 0.00 H new ATOM 166 N THR A 11 -2.645 -9.759 -0.941 1.00 0.00 N ATOM 167 CA THR A 11 -3.209 -8.450 -1.054 1.00 0.00 C ATOM 168 C THR A 11 -2.140 -7.386 -1.203 1.00 0.00 C ATOM 169 O THR A 11 -1.386 -7.101 -0.273 1.00 0.00 O ATOM 170 CB THR A 11 -4.044 -8.142 0.178 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.962 -9.227 0.399 1.00 0.00 O ATOM 172 CG2 THR A 11 -4.826 -6.844 0.012 1.00 0.00 C ATOM 0 H THR A 11 -2.271 -9.983 -0.019 1.00 0.00 H new ATOM 0 HA THR A 11 -3.831 -8.438 -1.949 1.00 0.00 H new ATOM 0 HB THR A 11 -3.374 -8.025 1.030 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.505 -9.040 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.412 -6.655 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.132 -6.019 -0.149 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.494 -6.929 -0.845 1.00 0.00 H new ATOM 180 N VAL A 12 -2.072 -6.829 -2.359 1.00 0.00 N ATOM 181 CA VAL A 12 -1.199 -5.717 -2.616 1.00 0.00 C ATOM 182 C VAL A 12 -1.954 -4.469 -2.200 1.00 0.00 C ATOM 183 O VAL A 12 -2.854 -4.010 -2.904 1.00 0.00 O ATOM 184 CB VAL A 12 -0.779 -5.609 -4.109 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.188 -4.450 -4.310 1.00 0.00 C ATOM 186 CG2 VAL A 12 -0.151 -6.907 -4.589 1.00 0.00 C ATOM 0 H VAL A 12 -2.621 -7.127 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.274 -5.848 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.676 -5.422 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.471 -4.390 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.293 -3.519 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.079 -4.610 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.135 -6.808 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.733 -7.126 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.870 -7.719 -4.485 1.00 0.00 H new ATOM 196 N ARG A 13 -1.654 -3.996 -1.035 1.00 0.00 N ATOM 197 CA ARG A 13 -2.324 -2.868 -0.467 1.00 0.00 C ATOM 198 C ARG A 13 -1.606 -1.603 -0.891 1.00 0.00 C ATOM 199 O ARG A 13 -0.582 -1.244 -0.314 1.00 0.00 O ATOM 200 CB ARG A 13 -2.312 -2.994 1.069 1.00 0.00 C ATOM 201 CG ARG A 13 -3.129 -1.959 1.850 1.00 0.00 C ATOM 202 CD ARG A 13 -4.638 -2.198 1.745 1.00 0.00 C ATOM 203 NE ARG A 13 -5.189 -1.887 0.422 1.00 0.00 N ATOM 204 CZ ARG A 13 -6.166 -2.568 -0.195 1.00 0.00 C ATOM 205 NH1 ARG A 13 -6.666 -3.677 0.344 1.00 0.00 N ATOM 206 NH2 ARG A 13 -6.631 -2.133 -1.353 1.00 0.00 N ATOM 0 H ARG A 13 -0.924 -4.388 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.357 -2.829 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.679 -3.986 1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.277 -2.937 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.833 -1.984 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.896 -0.962 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.850 -3.241 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.147 -1.591 2.494 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.796 -1.085 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.306 -4.018 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.409 -4.186 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.247 -1.285 -1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.374 -2.645 -1.829 1.00 0.00 H new ATOM 220 N CYS A 14 -2.076 -0.982 -1.936 1.00 0.00 N ATOM 221 CA CYS A 14 -1.507 0.266 -2.376 1.00 0.00 C ATOM 222 C CYS A 14 -2.238 1.410 -1.734 1.00 0.00 C ATOM 223 O CYS A 14 -3.287 1.841 -2.208 1.00 0.00 O ATOM 224 CB CYS A 14 -1.495 0.399 -3.902 1.00 0.00 C ATOM 225 SG CYS A 14 -0.420 -0.805 -4.758 1.00 0.00 S ATOM 0 H CYS A 14 -2.854 -1.319 -2.503 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.464 0.287 -2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.514 0.285 -4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.172 1.406 -4.164 1.00 0.00 H new ATOM 230 N THR A 15 -1.723 1.848 -0.627 1.00 0.00 N ATOM 231 CA THR A 15 -2.323 2.902 0.116 1.00 0.00 C ATOM 232 C THR A 15 -1.742 4.240 -0.334 1.00 0.00 C ATOM 233 O THR A 15 -0.537 4.352 -0.612 1.00 0.00 O ATOM 234 CB THR A 15 -2.157 2.688 1.661 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.831 3.720 2.388 1.00 0.00 O ATOM 236 CG2 THR A 15 -0.687 2.652 2.082 1.00 0.00 C ATOM 0 H THR A 15 -0.867 1.478 -0.214 1.00 0.00 H new ATOM 0 HA THR A 15 -3.395 2.903 -0.082 1.00 0.00 H new ATOM 0 HB THR A 15 -2.602 1.721 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.718 3.570 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.621 2.502 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.182 1.833 1.570 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.209 3.595 1.817 1.00 0.00 H new ATOM 244 N VAL A 16 -2.580 5.221 -0.454 1.00 0.00 N ATOM 245 CA VAL A 16 -2.154 6.514 -0.882 1.00 0.00 C ATOM 246 C VAL A 16 -2.157 7.481 0.300 1.00 0.00 C ATOM 247 O VAL A 16 -3.104 7.515 1.101 1.00 0.00 O ATOM 248 CB VAL A 16 -3.020 7.051 -2.072 1.00 0.00 C ATOM 249 CG1 VAL A 16 -4.479 7.222 -1.687 1.00 0.00 C ATOM 250 CG2 VAL A 16 -2.451 8.342 -2.644 1.00 0.00 C ATOM 0 H VAL A 16 -3.578 5.147 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.134 6.430 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.978 6.293 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.040 7.596 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.889 6.261 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.557 7.932 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.079 8.683 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.427 9.105 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.440 8.164 -3.009 1.00 0.00 H new ATOM 260 N ARG A 17 -1.087 8.199 0.439 1.00 0.00 N ATOM 261 CA ARG A 17 -0.930 9.185 1.461 1.00 0.00 C ATOM 262 C ARG A 17 -0.503 10.461 0.778 1.00 0.00 C ATOM 263 O ARG A 17 0.662 10.592 0.387 1.00 0.00 O ATOM 264 CB ARG A 17 0.122 8.768 2.487 1.00 0.00 C ATOM 265 CG ARG A 17 -0.147 7.435 3.157 1.00 0.00 C ATOM 266 CD ARG A 17 0.787 7.224 4.324 1.00 0.00 C ATOM 267 NE ARG A 17 0.557 8.237 5.358 1.00 0.00 N ATOM 268 CZ ARG A 17 1.321 8.451 6.425 1.00 0.00 C ATOM 269 NH1 ARG A 17 2.424 7.737 6.617 1.00 0.00 N ATOM 270 NH2 ARG A 17 0.986 9.407 7.282 1.00 0.00 N ATOM 0 H ARG A 17 -0.276 8.113 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.868 9.313 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.094 8.723 1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.189 9.539 3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.181 7.398 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.022 6.628 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.636 6.229 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.821 7.273 3.983 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.264 8.832 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.690 7.019 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.005 7.907 7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.150 9.968 7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.564 9.580 8.104 1.00 0.00 H new