USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 156 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 1 LYS N :NH3+ 137:sc=0.000661 (180deg=-0.0756) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.373 -9.733 11.216 1.00 0.00 N ATOM 2 CA LYS A 1 -1.099 -9.748 9.919 1.00 0.00 C ATOM 3 C LYS A 1 -0.685 -8.572 9.042 1.00 0.00 C ATOM 4 O LYS A 1 -0.555 -7.446 9.520 1.00 0.00 O ATOM 5 CB LYS A 1 -2.602 -9.690 10.202 1.00 0.00 C ATOM 6 CG LYS A 1 -3.028 -8.464 10.996 1.00 0.00 C ATOM 7 CD LYS A 1 -4.302 -7.850 10.440 1.00 0.00 C ATOM 8 CE LYS A 1 -5.528 -8.318 11.209 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.247 -9.409 10.496 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.035 -9.954 11.987 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.386 -10.443 11.197 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.038 -8.791 11.373 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.851 -10.663 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -3.142 -9.704 9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.895 -10.586 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.182 -8.741 12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.229 -7.723 10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.234 -6.763 10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.407 -8.117 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.226 -8.667 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.204 -7.477 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.076 -9.700 11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.558 -9.069 9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.610 -10.222 10.373 1.00 0.00 H new ATOM 25 N TRP A 2 -0.480 -8.842 7.756 1.00 0.00 N ATOM 26 CA TRP A 2 -0.083 -7.810 6.801 1.00 0.00 C ATOM 27 C TRP A 2 -1.245 -7.481 5.861 1.00 0.00 C ATOM 28 O TRP A 2 -1.833 -8.379 5.258 1.00 0.00 O ATOM 29 CB TRP A 2 1.129 -8.281 5.995 1.00 0.00 C ATOM 30 CG TRP A 2 2.356 -7.437 6.183 1.00 0.00 C ATOM 31 CD1 TRP A 2 3.253 -7.086 5.214 1.00 0.00 C ATOM 32 CD2 TRP A 2 2.831 -6.843 7.402 1.00 0.00 C ATOM 33 NE1 TRP A 2 4.256 -6.318 5.752 1.00 0.00 N ATOM 34 CE2 TRP A 2 4.020 -6.153 7.091 1.00 0.00 C ATOM 35 CE3 TRP A 2 2.374 -6.823 8.727 1.00 0.00 C ATOM 36 CZ2 TRP A 2 4.754 -5.457 8.049 1.00 0.00 C ATOM 37 CZ3 TRP A 2 3.104 -6.131 9.675 1.00 0.00 C ATOM 38 CH2 TRP A 2 4.282 -5.457 9.331 1.00 0.00 C ATOM 0 H TRP A 2 -0.583 -9.772 7.349 1.00 0.00 H new ATOM 0 HA TRP A 2 0.186 -6.908 7.351 1.00 0.00 H new ATOM 0 HB2 TRP A 2 1.361 -9.308 6.276 1.00 0.00 H new ATOM 0 HB3 TRP A 2 0.867 -8.291 4.937 1.00 0.00 H new ATOM 0 HD1 TRP A 2 3.183 -7.371 4.175 1.00 0.00 H new ATOM 0 HE1 TRP A 2 5.048 -5.933 5.238 1.00 0.00 H new ATOM 0 HE3 TRP A 2 1.467 -7.340 9.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.663 -4.936 7.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 2.760 -6.110 10.698 1.00 0.00 H new ATOM 0 HH2 TRP A 2 4.829 -4.926 10.096 1.00 0.00 H new ATOM 49 N CYS A 3 -1.582 -6.193 5.744 1.00 0.00 N ATOM 50 CA CYS A 3 -2.682 -5.769 4.884 1.00 0.00 C ATOM 51 C CYS A 3 -2.973 -4.275 5.025 1.00 0.00 C ATOM 52 O CYS A 3 -4.032 -3.883 5.518 1.00 0.00 O ATOM 53 CB CYS A 3 -3.950 -6.578 5.192 1.00 0.00 C ATOM 54 SG CYS A 3 -4.146 -7.038 6.948 1.00 0.00 S ATOM 0 H CYS A 3 -1.110 -5.432 6.233 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.376 -5.956 3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.820 -5.999 4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.941 -7.487 4.590 1.00 0.00 H new ATOM 59 N PHE A 4 -2.039 -3.444 4.575 1.00 0.00 N ATOM 60 CA PHE A 4 -2.214 -1.998 4.645 1.00 0.00 C ATOM 61 C PHE A 4 -1.489 -1.304 3.496 1.00 0.00 C ATOM 62 O PHE A 4 -0.432 -0.704 3.686 1.00 0.00 O ATOM 63 CB PHE A 4 -1.710 -1.463 5.985 1.00 0.00 C ATOM 64 CG PHE A 4 -2.571 -0.375 6.561 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.382 0.946 6.190 1.00 0.00 C ATOM 66 CD2 PHE A 4 -3.569 -0.675 7.475 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.171 1.949 6.719 1.00 0.00 C ATOM 68 CE2 PHE A 4 -4.363 0.323 8.007 1.00 0.00 C ATOM 69 CZ PHE A 4 -4.163 1.637 7.630 1.00 0.00 C ATOM 0 H PHE A 4 -1.157 -3.745 4.160 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.279 -1.783 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.654 -2.286 6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.696 -1.083 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.608 1.195 5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.728 -1.700 7.775 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.013 2.975 6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.139 0.076 8.717 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.781 2.419 8.046 1.00 0.00 H new ATOM 79 N ARG A 5 -2.070 -1.389 2.304 1.00 0.00 N ATOM 80 CA ARG A 5 -1.488 -0.767 1.121 1.00 0.00 C ATOM 81 C ARG A 5 -2.304 0.447 0.694 1.00 0.00 C ATOM 82 O ARG A 5 -3.237 0.331 -0.101 1.00 0.00 O ATOM 83 CB ARG A 5 -1.416 -1.776 -0.027 1.00 0.00 C ATOM 84 CG ARG A 5 -0.207 -1.588 -0.929 1.00 0.00 C ATOM 85 CD ARG A 5 -0.182 -0.200 -1.548 1.00 0.00 C ATOM 86 NE ARG A 5 0.236 -0.230 -2.946 1.00 0.00 N ATOM 87 CZ ARG A 5 1.470 -0.533 -3.346 1.00 0.00 C ATOM 88 NH1 ARG A 5 2.404 -0.845 -2.458 1.00 0.00 N ATOM 89 NH2 ARG A 5 1.767 -0.530 -4.638 1.00 0.00 N ATOM 0 H ARG A 5 -2.945 -1.884 2.132 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.479 -0.438 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.396 -2.784 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.322 -1.696 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.705 -1.747 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.221 -2.339 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.174 0.246 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.496 0.437 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.458 -0.006 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.179 -0.854 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.347 -1.076 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.051 -0.296 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.712 -0.762 -4.945 1.00 0.00 H new ATOM 103 N VAL A 6 -1.950 1.611 1.228 1.00 0.00 N ATOM 104 CA VAL A 6 -2.656 2.845 0.899 1.00 0.00 C ATOM 105 C VAL A 6 -1.934 4.064 1.466 1.00 0.00 C ATOM 106 O VAL A 6 -1.150 3.951 2.407 1.00 0.00 O ATOM 107 CB VAL A 6 -4.104 2.820 1.426 1.00 0.00 C ATOM 108 CG1 VAL A 6 -4.124 2.691 2.943 1.00 0.00 C ATOM 109 CG2 VAL A 6 -4.859 4.064 0.980 1.00 0.00 C ATOM 0 H VAL A 6 -1.181 1.726 1.888 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.676 2.918 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.605 1.948 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.156 2.675 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.627 1.766 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.603 3.539 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.879 4.027 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.358 4.952 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.881 4.105 -0.109 1.00 0.00 H new ATOM 119 N CYS A 7 -2.206 5.228 0.885 1.00 0.00 N ATOM 120 CA CYS A 7 -1.583 6.470 1.328 1.00 0.00 C ATOM 121 C CYS A 7 -2.420 7.148 2.408 1.00 0.00 C ATOM 122 O CYS A 7 -3.380 7.858 2.112 1.00 0.00 O ATOM 123 CB CYS A 7 -1.382 7.416 0.143 1.00 0.00 C ATOM 124 SG CYS A 7 0.286 7.342 -0.591 1.00 0.00 S ATOM 0 H CYS A 7 -2.855 5.337 0.105 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.610 6.226 1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.117 7.179 -0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.579 8.437 0.469 1.00 0.00 H new ATOM 129 N TYR A 8 -2.043 6.922 3.663 1.00 0.00 N ATOM 130 CA TYR A 8 -2.750 7.508 4.794 1.00 0.00 C ATOM 131 C TYR A 8 -2.168 8.873 5.150 1.00 0.00 C ATOM 132 O TYR A 8 -0.971 8.999 5.407 1.00 0.00 O ATOM 133 CB TYR A 8 -2.677 6.574 6.006 1.00 0.00 C ATOM 134 CG TYR A 8 -4.027 6.078 6.472 1.00 0.00 C ATOM 135 CD1 TYR A 8 -4.992 5.675 5.559 1.00 0.00 C ATOM 136 CD2 TYR A 8 -4.334 6.014 7.826 1.00 0.00 C ATOM 137 CE1 TYR A 8 -6.228 5.221 5.983 1.00 0.00 C ATOM 138 CE2 TYR A 8 -5.567 5.561 8.257 1.00 0.00 C ATOM 139 CZ TYR A 8 -6.510 5.167 7.331 1.00 0.00 C ATOM 140 OH TYR A 8 -7.738 4.716 7.756 1.00 0.00 O ATOM 0 H TYR A 8 -1.250 6.335 3.921 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.794 7.642 4.511 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.051 5.717 5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.188 7.097 6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.775 5.717 4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.598 6.323 8.553 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.969 4.910 5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.790 5.516 9.313 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.774 4.740 8.735 1.00 0.00 H new ATOM 150 N ARG A 9 -3.023 9.893 5.163 1.00 0.00 N ATOM 151 CA ARG A 9 -2.595 11.252 5.486 1.00 0.00 C ATOM 152 C ARG A 9 -1.701 11.820 4.388 1.00 0.00 C ATOM 153 O ARG A 9 -2.081 12.761 3.692 1.00 0.00 O ATOM 154 CB ARG A 9 -1.856 11.274 6.827 1.00 0.00 C ATOM 155 CG ARG A 9 -1.677 12.672 7.400 1.00 0.00 C ATOM 156 CD ARG A 9 -2.569 12.898 8.611 1.00 0.00 C ATOM 157 NE ARG A 9 -2.211 12.024 9.725 1.00 0.00 N ATOM 158 CZ ARG A 9 -2.571 12.246 10.987 1.00 0.00 C ATOM 159 NH1 ARG A 9 -3.300 13.310 11.298 1.00 0.00 N ATOM 160 NH2 ARG A 9 -2.202 11.400 11.940 1.00 0.00 N ATOM 0 H ARG A 9 -4.017 9.804 4.953 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.486 11.876 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.404 10.664 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.876 10.814 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.635 12.820 7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.908 13.412 6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.494 13.938 8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.609 12.724 8.333 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.652 11.195 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.587 13.962 10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.573 13.476 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.643 10.580 11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.478 11.570 12.907 1.00 0.00 H new ATOM 174 N GLY A 10 -0.514 11.243 4.240 1.00 0.00 N ATOM 175 CA GLY A 10 0.415 11.705 3.225 1.00 0.00 C ATOM 176 C GLY A 10 1.574 10.749 3.019 1.00 0.00 C ATOM 177 O GLY A 10 2.703 11.176 2.775 1.00 0.00 O ATOM 0 H GLY A 10 -0.178 10.463 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.117 11.834 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.802 12.684 3.510 1.00 0.00 H new ATOM 181 N ILE A 11 1.296 9.453 3.118 1.00 0.00 N ATOM 182 CA ILE A 11 2.325 8.435 2.941 1.00 0.00 C ATOM 183 C ILE A 11 1.702 7.064 2.698 1.00 0.00 C ATOM 184 O ILE A 11 0.791 6.650 3.413 1.00 0.00 O ATOM 185 CB ILE A 11 3.264 8.371 4.166 1.00 0.00 C ATOM 186 CG1 ILE A 11 4.492 7.504 3.858 1.00 0.00 C ATOM 187 CG2 ILE A 11 2.521 7.852 5.391 1.00 0.00 C ATOM 188 CD1 ILE A 11 4.211 6.015 3.829 1.00 0.00 C ATOM 0 H ILE A 11 0.367 9.083 3.320 1.00 0.00 H new ATOM 0 HA ILE A 11 2.912 8.716 2.066 1.00 0.00 H new ATOM 0 HB ILE A 11 3.609 9.381 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.901 7.804 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.260 7.703 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.202 7.815 6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.689 8.518 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.140 6.851 5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.131 5.475 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.832 5.697 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.468 5.800 3.061 1.00 0.00 H new ATOM 200 N CYS A 12 2.200 6.364 1.682 1.00 0.00 N ATOM 201 CA CYS A 12 1.691 5.040 1.343 1.00 0.00 C ATOM 202 C CYS A 12 2.401 3.959 2.147 1.00 0.00 C ATOM 203 O CYS A 12 3.580 3.679 1.930 1.00 0.00 O ATOM 204 CB CYS A 12 1.855 4.778 -0.155 1.00 0.00 C ATOM 205 SG CYS A 12 0.480 5.407 -1.173 1.00 0.00 S ATOM 0 H CYS A 12 2.955 6.692 1.080 1.00 0.00 H new ATOM 0 HA CYS A 12 0.631 5.009 1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.784 5.237 -0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.952 3.704 -0.317 1.00 0.00 H new ATOM 210 N TYR A 13 1.670 3.354 3.077 1.00 0.00 N ATOM 211 CA TYR A 13 2.223 2.301 3.919 1.00 0.00 C ATOM 212 C TYR A 13 1.954 0.925 3.321 1.00 0.00 C ATOM 213 O TYR A 13 1.097 0.772 2.448 1.00 0.00 O ATOM 214 CB TYR A 13 1.626 2.381 5.326 1.00 0.00 C ATOM 215 CG TYR A 13 2.268 3.435 6.199 1.00 0.00 C ATOM 216 CD1 TYR A 13 3.546 3.256 6.714 1.00 0.00 C ATOM 217 CD2 TYR A 13 1.593 4.609 6.511 1.00 0.00 C ATOM 218 CE1 TYR A 13 4.134 4.217 7.514 1.00 0.00 C ATOM 219 CE2 TYR A 13 2.175 5.574 7.311 1.00 0.00 C ATOM 220 CZ TYR A 13 3.445 5.373 7.810 1.00 0.00 C ATOM 221 OH TYR A 13 4.026 6.332 8.607 1.00 0.00 O ATOM 0 H TYR A 13 0.693 3.575 3.266 1.00 0.00 H new ATOM 0 HA TYR A 13 3.302 2.447 3.977 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.559 2.588 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.727 1.410 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.089 2.351 6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.598 4.770 6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.129 4.063 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.638 6.481 7.544 1.00 0.00 H new ATOM 0 HH TYR A 13 3.408 7.084 8.717 1.00 0.00 H new ATOM 231 N ARG A 14 2.692 -0.071 3.800 1.00 0.00 N ATOM 232 CA ARG A 14 2.542 -1.440 3.322 1.00 0.00 C ATOM 233 C ARG A 14 2.709 -2.430 4.473 1.00 0.00 C ATOM 234 O ARG A 14 3.702 -3.154 4.545 1.00 0.00 O ATOM 235 CB ARG A 14 3.567 -1.732 2.223 1.00 0.00 C ATOM 236 CG ARG A 14 3.475 -3.139 1.657 1.00 0.00 C ATOM 237 CD ARG A 14 2.135 -3.386 0.984 1.00 0.00 C ATOM 238 NE ARG A 14 1.560 -4.673 1.366 1.00 0.00 N ATOM 239 CZ ARG A 14 0.658 -5.329 0.641 1.00 0.00 C ATOM 240 NH1 ARG A 14 0.225 -4.826 -0.509 1.00 0.00 N ATOM 241 NH2 ARG A 14 0.187 -6.495 1.066 1.00 0.00 N ATOM 0 H ARG A 14 3.403 0.046 4.522 1.00 0.00 H new ATOM 0 HA ARG A 14 1.540 -1.554 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.432 -1.015 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.569 -1.576 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.278 -3.295 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.619 -3.864 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.443 -2.587 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.261 -3.352 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 14 1.869 -5.094 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.584 -3.931 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.467 -5.334 -1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.517 -6.887 1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.505 -6.999 0.511 1.00 0.00 H new ATOM 255 N ARG A 15 1.733 -2.449 5.376 1.00 0.00 N ATOM 256 CA ARG A 15 1.774 -3.346 6.528 1.00 0.00 C ATOM 257 C ARG A 15 0.554 -3.143 7.421 1.00 0.00 C ATOM 258 O ARG A 15 0.232 -2.017 7.800 1.00 0.00 O ATOM 259 CB ARG A 15 3.052 -3.111 7.336 1.00 0.00 C ATOM 260 CG ARG A 15 3.314 -1.646 7.648 1.00 0.00 C ATOM 261 CD ARG A 15 3.062 -1.333 9.113 1.00 0.00 C ATOM 262 NE ARG A 15 4.051 -1.962 9.986 1.00 0.00 N ATOM 263 CZ ARG A 15 5.273 -1.478 10.189 1.00 0.00 C ATOM 264 NH1 ARG A 15 5.663 -0.362 9.584 1.00 0.00 N ATOM 265 NH2 ARG A 15 6.111 -2.110 10.999 1.00 0.00 N ATOM 0 H ARG A 15 0.905 -1.855 5.333 1.00 0.00 H new ATOM 0 HA ARG A 15 1.766 -4.371 6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.988 -3.667 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.901 -3.514 6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.345 -1.398 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.673 -1.021 7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.082 -0.253 9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.065 -1.674 9.390 1.00 0.00 H new ATOM 0 HE ARG A 15 3.789 -2.822 10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.024 0.129 8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.602 0.004 9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.819 -2.968 11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.048 -1.738 11.154 1.00 0.00 H new ATOM 279 N CYS A 16 -0.115 -4.241 7.766 1.00 0.00 N ATOM 280 CA CYS A 16 -1.294 -4.180 8.623 1.00 0.00 C ATOM 281 C CYS A 16 -0.878 -3.880 10.059 1.00 0.00 C ATOM 282 O CYS A 16 0.243 -3.436 10.307 1.00 0.00 O ATOM 283 CB CYS A 16 -2.083 -5.495 8.571 1.00 0.00 C ATOM 284 SG CYS A 16 -3.789 -5.311 7.956 1.00 0.00 S ATOM 0 H CYS A 16 0.140 -5.182 7.465 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.939 -3.381 8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.552 -6.201 7.933 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.113 -5.929 9.570 1.00 0.00 H new ATOM 289 N ARG A 17 -1.773 -4.140 11.007 1.00 0.00 N ATOM 290 CA ARG A 17 -1.475 -3.909 12.412 1.00 0.00 C ATOM 291 C ARG A 17 -2.642 -4.341 13.294 1.00 0.00 C ATOM 292 O ARG A 17 -2.496 -5.350 14.016 1.00 0.00 O ATOM 293 CB ARG A 17 -1.150 -2.433 12.655 1.00 0.00 C ATOM 294 CG ARG A 17 0.338 -2.153 12.785 1.00 0.00 C ATOM 295 CD ARG A 17 0.747 -0.921 11.994 1.00 0.00 C ATOM 296 NE ARG A 17 0.295 0.314 12.630 1.00 0.00 N ATOM 297 CZ ARG A 17 0.329 1.507 12.043 1.00 0.00 C ATOM 298 NH1 ARG A 17 0.792 1.633 10.805 1.00 0.00 N ATOM 299 NH2 ARG A 17 -0.102 2.578 12.694 1.00 0.00 N ATOM 300 OXT ARG A 17 -3.693 -3.665 13.258 1.00 0.00 O ATOM 0 H ARG A 17 -2.707 -4.509 10.827 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.604 -4.509 12.675 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.553 -1.841 11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.654 -2.103 13.563 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.592 -2.012 13.836 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.903 -3.016 12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.832 -0.900 11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.333 -0.983 10.988 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.069 0.258 13.581 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.124 0.812 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.816 2.551 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.460 2.487 13.645 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.076 3.493 12.244 1.00 0.00 H new TER 314 ARG A 17