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 0.670 12.511 -2.636 1.00 0.00 N ATOM 2 CA PRO A 1 1.025 12.129 -3.988 1.00 0.00 C ATOM 3 C PRO A 1 1.786 10.792 -4.061 1.00 0.00 C ATOM 4 O PRO A 1 2.157 10.350 -5.143 1.00 0.00 O ATOM 5 CB PRO A 1 1.944 13.273 -4.408 1.00 0.00 C ATOM 6 CG PRO A 1 2.658 13.668 -3.155 1.00 0.00 C ATOM 7 CD PRO A 1 1.727 13.346 -2.010 1.00 0.00 C ATOM 0 H2 PRO A 1 0.519 11.674 -2.073 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.210 13.026 -2.647 1.00 0.00 H new ATOM 0 HA PRO A 1 0.148 11.980 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.645 12.954 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.375 14.107 -4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.597 13.124 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.905 14.730 -3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.243 12.808 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.311 14.251 -1.566 1.00 0.00 H new ATOM 15 N VAL A 2 2.009 10.155 -2.926 1.00 0.00 N ATOM 16 CA VAL A 2 2.813 8.946 -2.897 1.00 0.00 C ATOM 17 C VAL A 2 1.967 7.733 -2.520 1.00 0.00 C ATOM 18 O VAL A 2 1.197 7.763 -1.543 1.00 0.00 O ATOM 19 CB VAL A 2 4.014 9.076 -1.912 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.927 7.862 -2.002 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.805 10.350 -2.179 1.00 0.00 C ATOM 0 H VAL A 2 1.648 10.451 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 2 3.208 8.804 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 2 3.607 9.128 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.757 7.978 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.364 6.964 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.315 7.773 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.637 10.415 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.190 10.332 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.155 11.215 -2.052 1.00 0.00 H new ATOM 31 N THR A 3 2.093 6.694 -3.295 1.00 0.00 N ATOM 32 CA THR A 3 1.383 5.471 -3.068 1.00 0.00 C ATOM 33 C THR A 3 2.271 4.521 -2.249 1.00 0.00 C ATOM 34 O THR A 3 3.456 4.325 -2.579 1.00 0.00 O ATOM 35 CB THR A 3 1.079 4.795 -4.411 1.00 0.00 C ATOM 36 OG1 THR A 3 0.787 5.802 -5.401 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.124 3.871 -4.267 1.00 0.00 C ATOM 0 H THR A 3 2.701 6.674 -4.114 1.00 0.00 H new ATOM 0 HA THR A 3 0.456 5.688 -2.537 1.00 0.00 H new ATOM 0 HB THR A 3 1.947 4.213 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.594 5.371 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.334 3.395 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.092 3.106 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.992 4.450 -3.952 1.00 0.00 H new ATOM 45 N TRP A 4 1.730 3.951 -1.204 1.00 0.00 N ATOM 46 CA TRP A 4 2.458 3.012 -0.390 1.00 0.00 C ATOM 47 C TRP A 4 1.769 1.663 -0.426 1.00 0.00 C ATOM 48 O TRP A 4 0.709 1.471 0.174 1.00 0.00 O ATOM 49 CB TRP A 4 2.606 3.517 1.049 1.00 0.00 C ATOM 50 CG TRP A 4 3.382 4.796 1.152 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.878 6.052 1.284 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.805 4.944 1.100 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.904 6.968 1.345 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.090 6.310 1.227 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.865 4.053 0.967 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.388 6.802 1.224 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.152 4.545 0.962 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.399 5.909 1.088 1.00 0.00 C ATOM 0 H TRP A 4 0.774 4.124 -0.893 1.00 0.00 H new ATOM 0 HA TRP A 4 3.463 2.906 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.615 3.666 1.478 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.100 2.751 1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.827 6.295 1.334 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.794 7.975 1.460 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.682 2.993 0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.586 7.859 1.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.982 3.862 0.859 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.419 6.264 1.077 1.00 0.00 H new ATOM 69 N CYS A 5 2.334 0.762 -1.176 1.00 0.00 N ATOM 70 CA CYS A 5 1.796 -0.558 -1.328 1.00 0.00 C ATOM 71 C CYS A 5 2.576 -1.549 -0.496 1.00 0.00 C ATOM 72 O CYS A 5 3.804 -1.645 -0.612 1.00 0.00 O ATOM 73 CB CYS A 5 1.826 -0.983 -2.798 1.00 0.00 C ATOM 74 SG CYS A 5 0.879 0.102 -3.918 1.00 0.00 S ATOM 0 H CYS A 5 3.191 0.925 -1.705 1.00 0.00 H new ATOM 0 HA CYS A 5 0.762 -0.543 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.863 -1.014 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.435 -1.997 -2.878 1.00 0.00 H new ATOM 79 N VAL A 6 1.887 -2.224 0.378 1.00 0.00 N ATOM 80 CA VAL A 6 2.457 -3.303 1.141 1.00 0.00 C ATOM 81 C VAL A 6 1.760 -4.579 0.711 1.00 0.00 C ATOM 82 O VAL A 6 0.532 -4.616 0.610 1.00 0.00 O ATOM 83 CB VAL A 6 2.353 -3.084 2.692 1.00 0.00 C ATOM 84 CG1 VAL A 6 3.230 -1.920 3.128 1.00 0.00 C ATOM 85 CG2 VAL A 6 0.911 -2.838 3.136 1.00 0.00 C ATOM 0 H VAL A 6 0.905 -2.042 0.585 1.00 0.00 H new ATOM 0 HA VAL A 6 3.527 -3.358 0.939 1.00 0.00 H new ATOM 0 HB VAL A 6 2.703 -3.999 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.144 -1.784 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.268 -2.130 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.907 -1.011 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.883 -2.691 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.524 -1.949 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.297 -3.698 2.871 1.00 0.00 H new ATOM 95 N ARG A 7 2.505 -5.594 0.392 1.00 0.00 N ATOM 96 CA ARG A 7 1.891 -6.795 -0.112 1.00 0.00 C ATOM 97 C ARG A 7 1.559 -7.745 1.012 1.00 0.00 C ATOM 98 O ARG A 7 2.412 -8.485 1.495 1.00 0.00 O ATOM 99 CB ARG A 7 2.747 -7.469 -1.182 1.00 0.00 C ATOM 100 CG ARG A 7 2.055 -8.638 -1.872 1.00 0.00 C ATOM 101 CD ARG A 7 2.927 -9.236 -2.957 1.00 0.00 C ATOM 102 NE ARG A 7 4.164 -9.813 -2.420 1.00 0.00 N ATOM 103 CZ ARG A 7 5.356 -9.776 -3.025 1.00 0.00 C ATOM 104 NH1 ARG A 7 5.513 -9.109 -4.172 1.00 0.00 N ATOM 105 NH2 ARG A 7 6.393 -10.381 -2.470 1.00 0.00 N ATOM 0 H ARG A 7 3.522 -5.621 0.468 1.00 0.00 H new ATOM 0 HA ARG A 7 0.956 -6.506 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.025 -6.729 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.671 -7.823 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.811 -9.404 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.113 -8.301 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.368 -10.008 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.175 -8.466 -3.687 1.00 0.00 H new ATOM 0 HE ARG A 7 4.111 -10.279 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.721 -8.623 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.425 -9.085 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.282 -10.873 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.304 -10.355 -2.928 1.00 0.00 H new ATOM 119 N ILE A 8 0.335 -7.691 1.445 1.00 0.00 N ATOM 120 CA ILE A 8 -0.137 -8.535 2.497 1.00 0.00 C ATOM 121 C ILE A 8 -0.679 -9.791 1.838 1.00 0.00 C ATOM 122 O ILE A 8 -1.688 -9.735 1.100 1.00 0.00 O ATOM 123 CB ILE A 8 -1.255 -7.849 3.333 1.00 0.00 C ATOM 124 CG1 ILE A 8 -0.789 -6.467 3.852 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.669 -8.739 4.501 1.00 0.00 C ATOM 126 CD1 ILE A 8 0.442 -6.501 4.750 1.00 0.00 C ATOM 0 H ILE A 8 -0.369 -7.053 1.073 1.00 0.00 H new ATOM 0 HA ILE A 8 0.676 -8.758 3.187 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.117 -7.697 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.579 -5.826 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.609 -6.006 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.452 -8.244 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.044 -9.689 4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.807 -8.921 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.692 -5.487 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.235 -7.112 5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.281 -6.928 4.201 1.00 0.00 H new ATOM 152 N PRO A 10 -1.035 -12.165 -1.012 1.00 0.00 N ATOM 153 CA PRO A 10 -0.890 -11.907 -2.421 1.00 0.00 C ATOM 154 C PRO A 10 -1.543 -10.574 -2.814 1.00 0.00 C ATOM 155 O PRO A 10 -1.599 -10.216 -3.985 1.00 0.00 O ATOM 156 CB PRO A 10 -1.670 -13.073 -3.032 1.00 0.00 C ATOM 157 CG PRO A 10 -2.745 -13.397 -2.029 1.00 0.00 C ATOM 158 CD PRO A 10 -2.348 -12.748 -0.717 1.00 0.00 C ATOM 0 HA PRO A 10 0.148 -11.834 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.100 -12.798 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.022 -13.932 -3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.711 -13.022 -2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.846 -14.476 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.066 -11.987 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.292 -13.477 0.091 1.00 0.00 H new ATOM 166 N THR A 11 -2.013 -9.839 -1.832 1.00 0.00 N ATOM 167 CA THR A 11 -2.738 -8.637 -2.072 1.00 0.00 C ATOM 168 C THR A 11 -1.870 -7.422 -1.817 1.00 0.00 C ATOM 169 O THR A 11 -1.311 -7.254 -0.734 1.00 0.00 O ATOM 170 CB THR A 11 -3.954 -8.584 -1.153 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.698 -9.813 -1.285 1.00 0.00 O ATOM 172 CG2 THR A 11 -4.862 -7.404 -1.491 1.00 0.00 C ATOM 0 H THR A 11 -1.897 -10.069 -0.845 1.00 0.00 H new ATOM 0 HA THR A 11 -3.054 -8.629 -3.115 1.00 0.00 H new ATOM 0 HB THR A 11 -3.604 -8.457 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.480 -9.787 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.718 -7.398 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.306 -6.473 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.212 -7.497 -2.519 1.00 0.00 H new ATOM 180 N VAL A 12 -1.744 -6.597 -2.805 1.00 0.00 N ATOM 181 CA VAL A 12 -1.026 -5.374 -2.644 1.00 0.00 C ATOM 182 C VAL A 12 -1.953 -4.321 -2.045 1.00 0.00 C ATOM 183 O VAL A 12 -2.890 -3.836 -2.686 1.00 0.00 O ATOM 184 CB VAL A 12 -0.315 -4.886 -3.953 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.777 -5.868 -4.345 1.00 0.00 C ATOM 186 CG2 VAL A 12 -1.286 -4.721 -5.116 1.00 0.00 C ATOM 0 H VAL A 12 -2.131 -6.748 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.205 -5.555 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 12 0.114 -3.907 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.267 -5.523 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.511 -5.936 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.338 -6.850 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.743 -4.381 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.764 -5.677 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.047 -3.986 -4.853 1.00 0.00 H new ATOM 196 N ARG A 13 -1.752 -4.059 -0.787 1.00 0.00 N ATOM 197 CA ARG A 13 -2.541 -3.108 -0.069 1.00 0.00 C ATOM 198 C ARG A 13 -1.917 -1.754 -0.270 1.00 0.00 C ATOM 199 O ARG A 13 -0.872 -1.438 0.313 1.00 0.00 O ATOM 200 CB ARG A 13 -2.613 -3.492 1.421 1.00 0.00 C ATOM 201 CG ARG A 13 -3.483 -2.584 2.280 1.00 0.00 C ATOM 202 CD ARG A 13 -3.584 -3.113 3.706 1.00 0.00 C ATOM 203 NE ARG A 13 -4.474 -2.296 4.540 1.00 0.00 N ATOM 204 CZ ARG A 13 -4.958 -2.646 5.747 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.607 -3.801 6.311 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.794 -1.842 6.381 1.00 0.00 N ATOM 0 H ARG A 13 -1.027 -4.506 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.566 -3.092 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.990 -4.512 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.602 -3.494 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.065 -1.577 2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.479 -2.511 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.950 -4.140 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.590 -3.137 4.154 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.750 -1.385 4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.966 -4.430 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.980 -4.056 7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.072 -0.957 5.956 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.161 -2.106 7.295 1.00 0.00 H new ATOM 220 N CYS A 14 -2.493 -1.004 -1.153 1.00 0.00 N ATOM 221 CA CYS A 14 -1.974 0.280 -1.498 1.00 0.00 C ATOM 222 C CYS A 14 -2.735 1.373 -0.811 1.00 0.00 C ATOM 223 O CYS A 14 -3.915 1.610 -1.102 1.00 0.00 O ATOM 224 CB CYS A 14 -1.987 0.481 -3.012 1.00 0.00 C ATOM 225 SG CYS A 14 -0.976 -0.723 -3.931 1.00 0.00 S ATOM 0 H CYS A 14 -3.340 -1.266 -1.657 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.940 0.325 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.016 0.421 -3.367 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.630 1.486 -3.237 1.00 0.00 H new ATOM 230 N THR A 15 -2.089 2.002 0.119 1.00 0.00 N ATOM 231 CA THR A 15 -2.642 3.121 0.784 1.00 0.00 C ATOM 232 C THR A 15 -1.981 4.349 0.171 1.00 0.00 C ATOM 233 O THR A 15 -0.845 4.265 -0.330 1.00 0.00 O ATOM 234 CB THR A 15 -2.418 3.047 2.335 1.00 0.00 C ATOM 235 OG1 THR A 15 -3.165 4.075 2.998 1.00 0.00 O ATOM 236 CG2 THR A 15 -0.941 3.170 2.712 1.00 0.00 C ATOM 0 H THR A 15 -1.154 1.745 0.436 1.00 0.00 H new ATOM 0 HA THR A 15 -3.724 3.157 0.654 1.00 0.00 H new ATOM 0 HB THR A 15 -2.768 2.067 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.017 4.015 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.836 3.113 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.379 2.359 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.554 4.126 2.360 1.00 0.00 H new ATOM 244 N VAL A 16 -2.650 5.445 0.152 1.00 0.00 N ATOM 245 CA VAL A 16 -2.085 6.601 -0.464 1.00 0.00 C ATOM 246 C VAL A 16 -1.864 7.716 0.541 1.00 0.00 C ATOM 247 O VAL A 16 -2.729 8.015 1.370 1.00 0.00 O ATOM 248 CB VAL A 16 -2.917 7.079 -1.696 1.00 0.00 C ATOM 249 CG1 VAL A 16 -4.331 7.495 -1.317 1.00 0.00 C ATOM 250 CG2 VAL A 16 -2.203 8.187 -2.442 1.00 0.00 C ATOM 0 H VAL A 16 -3.581 5.571 0.550 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.106 6.313 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.009 6.223 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.867 7.819 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.851 6.649 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.289 8.316 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.806 8.499 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.051 9.036 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.237 7.825 -2.794 1.00 0.00 H new ATOM 260 N ARG A 17 -0.689 8.274 0.499 1.00 0.00 N ATOM 261 CA ARG A 17 -0.331 9.383 1.324 1.00 0.00 C ATOM 262 C ARG A 17 0.013 10.538 0.421 1.00 0.00 C ATOM 263 O ARG A 17 1.091 10.549 -0.188 1.00 0.00 O ATOM 264 CB ARG A 17 0.847 9.038 2.231 1.00 0.00 C ATOM 265 CG ARG A 17 0.512 8.024 3.308 1.00 0.00 C ATOM 266 CD ARG A 17 1.734 7.646 4.122 1.00 0.00 C ATOM 267 NE ARG A 17 2.376 8.798 4.764 1.00 0.00 N ATOM 268 CZ ARG A 17 3.421 8.719 5.596 1.00 0.00 C ATOM 269 NH1 ARG A 17 3.930 7.530 5.919 1.00 0.00 N ATOM 270 NH2 ARG A 17 3.951 9.824 6.103 1.00 0.00 N ATOM 0 H ARG A 17 0.058 7.963 -0.122 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.166 9.646 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.662 8.650 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.209 9.951 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.253 8.434 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.090 7.130 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.445 6.926 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.456 7.150 3.473 1.00 0.00 H new ATOM 0 HE ARG A 17 1.999 9.724 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.523 6.679 5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.727 7.472 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.562 10.735 5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.748 9.763 6.737 1.00 0.00 H new