USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 144 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 ARG N :NH3+ -137:sc= 0 (180deg=-0.316) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.385 1.600 2.410 1.00 0.00 N1+ ATOM 2 CA ARG A 1 -7.977 0.180 2.569 1.00 0.00 C ATOM 3 C ARG A 1 -6.618 -0.082 1.926 1.00 0.00 C ATOM 4 O ARG A 1 -5.702 -0.589 2.573 1.00 0.00 O ATOM 5 CB ARG A 1 -9.044 -0.709 1.928 1.00 0.00 C ATOM 6 CG ARG A 1 -10.393 -0.641 2.628 1.00 0.00 C ATOM 7 CD ARG A 1 -11.441 0.042 1.763 1.00 0.00 C ATOM 8 NE ARG A 1 -12.254 0.984 2.529 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.266 0.621 3.314 1.00 0.00 C ATOM 10 NH1 ARG A 1 -13.592 -0.659 3.441 1.00 0.00 N ATOM 11 NH2 ARG A 1 -13.955 1.542 3.975 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.787 1.948 3.304 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.555 2.173 2.157 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.099 1.674 1.658 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.885 -0.047 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.170 -0.417 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.694 -1.741 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -10.726 -1.649 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.288 -0.100 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -10.949 0.569 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -12.087 -0.712 1.313 1.00 0.00 H new ATOM 0 HE ARG A 1 -12.033 1.977 2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -13.066 -1.372 2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -14.369 -0.930 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -13.709 2.528 3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -14.731 1.265 4.577 1.00 0.00 H new ATOM 27 N ARG A 2 -6.494 0.266 0.649 1.00 0.00 N ATOM 28 CA ARG A 2 -5.245 0.066 -0.080 1.00 0.00 C ATOM 29 C ARG A 2 -4.576 1.401 -0.394 1.00 0.00 C ATOM 30 O ARG A 2 -4.000 1.583 -1.466 1.00 0.00 O ATOM 31 CB ARG A 2 -5.503 -0.706 -1.377 1.00 0.00 C ATOM 32 CG ARG A 2 -6.477 -1.864 -1.216 1.00 0.00 C ATOM 33 CD ARG A 2 -7.646 -1.753 -2.184 1.00 0.00 C ATOM 34 NE ARG A 2 -8.319 -0.460 -2.085 1.00 0.00 N ATOM 35 CZ ARG A 2 -9.563 -0.236 -2.506 1.00 0.00 C ATOM 36 NH1 ARG A 2 -10.272 -1.215 -3.055 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.099 0.970 -2.378 1.00 0.00 N ATOM 0 H ARG A 2 -7.242 0.687 0.098 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.575 -0.515 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.891 -0.018 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.556 -1.090 -1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.954 -2.806 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.852 -1.885 -0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.288 -1.898 -3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.361 -2.550 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.806 0.317 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.865 -2.145 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.224 -1.037 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.559 1.726 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.051 1.142 -2.700 1.00 0.00 H new ATOM 51 N LEU A 3 -4.647 2.327 0.556 1.00 0.00 N ATOM 52 CA LEU A 3 -4.041 3.641 0.396 1.00 0.00 C ATOM 53 C LEU A 3 -2.574 3.578 0.794 1.00 0.00 C ATOM 54 O LEU A 3 -1.690 4.041 0.075 1.00 0.00 O ATOM 55 CB LEU A 3 -4.801 4.677 1.231 1.00 0.00 C ATOM 56 CG LEU A 3 -4.539 4.655 2.742 1.00 0.00 C ATOM 57 CD1 LEU A 3 -4.922 5.990 3.363 1.00 0.00 C ATOM 58 CD2 LEU A 3 -5.310 3.520 3.403 1.00 0.00 C ATOM 0 H LEU A 3 -5.121 2.189 1.449 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.100 3.946 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.552 5.669 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.869 4.533 1.067 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.475 4.487 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.731 5.960 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.329 6.785 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.981 6.182 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.111 3.521 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.378 3.657 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.994 2.568 2.976 1.00 0.00 H new ATOM 70 N ILE A 4 -2.342 2.960 1.939 1.00 0.00 N ATOM 71 CA ILE A 4 -1.008 2.760 2.476 1.00 0.00 C ATOM 72 C ILE A 4 -0.362 1.555 1.826 1.00 0.00 C ATOM 73 O ILE A 4 0.838 1.333 1.936 1.00 0.00 O ATOM 74 CB ILE A 4 -1.028 2.569 4.006 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.952 1.411 4.386 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.467 3.853 4.695 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.574 0.739 5.688 1.00 0.00 C ATOM 0 H ILE A 4 -3.083 2.579 2.528 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.429 3.657 2.255 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.019 2.328 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.974 1.782 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.940 0.670 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.476 3.702 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.772 4.655 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.468 4.123 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.272 -0.072 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.564 0.338 5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.614 1.467 6.498 1.00 0.00 H new ATOM 89 N ARG A 5 -1.210 0.762 1.204 1.00 0.00 N ATOM 90 CA ARG A 5 -0.827 -0.483 0.565 1.00 0.00 C ATOM 91 C ARG A 5 -0.205 -0.284 -0.774 1.00 0.00 C ATOM 92 O ARG A 5 0.984 -0.522 -0.927 1.00 0.00 O ATOM 93 CB ARG A 5 -2.067 -1.326 0.446 1.00 0.00 C ATOM 94 CG ARG A 5 -2.596 -1.595 1.813 1.00 0.00 C ATOM 95 CD ARG A 5 -1.596 -2.461 2.539 1.00 0.00 C ATOM 96 NE ARG A 5 -2.166 -3.741 2.954 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.615 -4.537 3.868 1.00 0.00 C ATOM 98 NH1 ARG A 5 -0.482 -4.189 4.466 1.00 0.00 N ATOM 99 NH2 ARG A 5 -2.200 -5.684 4.187 1.00 0.00 N ATOM 0 H ARG A 5 -2.206 0.968 1.126 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.067 -0.972 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.817 -0.812 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.839 -2.263 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.752 -0.660 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.563 -2.095 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.738 -2.641 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.228 -1.929 3.416 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.037 -4.042 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.029 -3.307 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.065 -4.803 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.072 -5.956 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.778 -6.294 4.887 1.00 0.00 H new ATOM 113 N LEU A 6 -0.969 0.222 -1.730 1.00 0.00 N ATOM 114 CA LEU A 6 -0.412 0.504 -3.042 1.00 0.00 C ATOM 115 C LEU A 6 0.897 1.238 -2.846 1.00 0.00 C ATOM 116 O LEU A 6 1.744 1.307 -3.737 1.00 0.00 O ATOM 117 CB LEU A 6 -1.384 1.324 -3.895 1.00 0.00 C ATOM 118 CG LEU A 6 -2.106 0.536 -4.990 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.128 0.101 -6.069 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.818 -0.670 -4.395 1.00 0.00 C ATOM 0 H LEU A 6 -1.959 0.442 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.239 -0.429 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.130 1.773 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.834 2.143 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.852 1.186 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.660 -0.458 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.663 0.980 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.358 -0.532 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.327 -1.220 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.089 -1.321 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.549 -0.335 -3.659 1.00 0.00 H new ATOM 132 N ILE A 7 1.041 1.772 -1.640 1.00 0.00 N ATOM 133 CA ILE A 7 2.193 2.484 -1.245 1.00 0.00 C ATOM 134 C ILE A 7 3.165 1.544 -0.617 1.00 0.00 C ATOM 135 O ILE A 7 4.331 1.460 -0.996 1.00 0.00 O ATOM 136 CB ILE A 7 1.768 3.596 -0.259 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.367 4.859 -1.022 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.872 3.908 0.746 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.125 4.686 -1.869 1.00 0.00 C ATOM 0 H ILE A 7 0.330 1.706 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 7 2.679 2.943 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 7 0.906 3.232 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.201 5.667 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.194 5.164 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.537 4.694 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.106 3.011 1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.764 4.242 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.099 5.622 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.294 3.901 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.715 4.411 -1.231 1.00 0.00 H new ATOM 151 N LEU A 8 2.643 0.820 0.316 1.00 0.00 N ATOM 152 CA LEU A 8 3.383 -0.165 1.031 1.00 0.00 C ATOM 153 C LEU A 8 3.890 -1.248 0.105 1.00 0.00 C ATOM 154 O LEU A 8 4.745 -2.061 0.453 1.00 0.00 O ATOM 155 CB LEU A 8 2.467 -0.701 2.099 1.00 0.00 C ATOM 156 CG LEU A 8 2.811 -2.069 2.697 1.00 0.00 C ATOM 157 CD1 LEU A 8 2.487 -3.190 1.717 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.274 -2.119 3.117 1.00 0.00 C ATOM 0 H LEU A 8 1.669 0.898 0.609 1.00 0.00 H new ATOM 0 HA LEU A 8 4.276 0.264 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.436 0.024 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.461 -0.758 1.683 1.00 0.00 H new ATOM 0 HG LEU A 8 2.197 -2.215 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.741 -4.150 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.423 -3.170 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.065 -3.053 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.498 -3.099 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.908 -1.945 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.464 -1.349 3.865 1.00 0.00 H new ATOM 170 N ARG A 9 3.322 -1.240 -1.064 1.00 0.00 N ATOM 171 CA ARG A 9 3.623 -2.181 -2.100 1.00 0.00 C ATOM 172 C ARG A 9 4.956 -1.879 -2.767 1.00 0.00 C ATOM 173 O ARG A 9 5.807 -2.756 -2.912 1.00 0.00 O ATOM 174 CB ARG A 9 2.493 -2.042 -3.071 1.00 0.00 C ATOM 175 CG ARG A 9 1.151 -2.400 -2.459 1.00 0.00 C ATOM 176 CD ARG A 9 1.111 -3.851 -2.006 1.00 0.00 C ATOM 177 NE ARG A 9 1.432 -4.773 -3.093 1.00 0.00 N ATOM 178 CZ ARG A 9 0.618 -5.024 -4.117 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.564 -4.425 -4.197 1.00 0.00 N ATOM 180 NH2 ARG A 9 0.988 -5.876 -5.063 1.00 0.00 N ATOM 0 H ARG A 9 2.614 -0.556 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 9 3.718 -3.195 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.459 -1.016 -3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.678 -2.683 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.953 -1.747 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.360 -2.224 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.817 -3.995 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.120 -4.082 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 9 2.332 -5.252 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.853 -3.768 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.183 -4.621 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.895 -6.339 -5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.365 -6.069 -5.848 1.00 0.00 H new ATOM 194 N LEU A 10 5.144 -0.620 -3.129 1.00 0.00 N ATOM 195 CA LEU A 10 6.393 -0.179 -3.735 1.00 0.00 C ATOM 196 C LEU A 10 7.359 0.115 -2.608 1.00 0.00 C ATOM 197 O LEU A 10 8.577 -0.015 -2.735 1.00 0.00 O ATOM 198 CB LEU A 10 6.172 1.067 -4.596 1.00 0.00 C ATOM 199 CG LEU A 10 5.152 0.900 -5.724 1.00 0.00 C ATOM 200 CD1 LEU A 10 5.054 2.173 -6.550 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.523 -0.283 -6.605 1.00 0.00 C ATOM 0 H LEU A 10 4.448 0.116 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 10 6.792 -0.953 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.847 1.883 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.126 1.364 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 10 4.176 0.706 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.324 2.034 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.741 2.998 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.027 2.400 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.787 -0.388 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.509 -0.118 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.539 -1.193 -6.005 1.00 0.00 H new ATOM 213 N LEU A 11 6.759 0.480 -1.487 1.00 0.00 N ATOM 214 CA LEU A 11 7.461 0.776 -0.263 1.00 0.00 C ATOM 215 C LEU A 11 8.055 -0.500 0.307 1.00 0.00 C ATOM 216 O LEU A 11 9.187 -0.520 0.790 1.00 0.00 O ATOM 217 CB LEU A 11 6.449 1.347 0.719 1.00 0.00 C ATOM 218 CG LEU A 11 6.141 2.840 0.584 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.574 3.382 1.886 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.379 3.628 0.176 1.00 0.00 C ATOM 0 H LEU A 11 5.747 0.579 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 11 8.267 1.486 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.516 0.794 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.812 1.163 1.730 1.00 0.00 H new ATOM 0 HG LEU A 11 5.396 2.958 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.360 4.445 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.655 2.850 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.300 3.240 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.125 4.685 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.155 3.502 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.743 3.262 -0.784 1.00 0.00 H new ATOM 232 N ARG A 12 7.264 -1.568 0.245 1.00 0.00 N ATOM 233 CA ARG A 12 7.685 -2.870 0.754 1.00 0.00 C ATOM 234 C ARG A 12 7.801 -2.848 2.275 1.00 0.00 C ATOM 235 O ARG A 12 8.240 -1.813 2.819 1.00 0.00 O ATOM 236 CB ARG A 12 9.023 -3.280 0.135 1.00 0.00 C ATOM 237 CG ARG A 12 9.113 -4.760 -0.197 1.00 0.00 C ATOM 238 CD ARG A 12 9.813 -4.995 -1.526 1.00 0.00 C ATOM 239 NE ARG A 12 9.056 -4.444 -2.649 1.00 0.00 N ATOM 240 CZ ARG A 12 9.299 -3.258 -3.207 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.282 -2.487 -2.757 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.553 -2.840 -4.220 1.00 0.00 N ATOM 243 OXT ARG A 12 7.450 -3.865 2.909 1.00 0.00 O ATOM 0 H ARG A 12 6.325 -1.557 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 12 6.926 -3.601 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.185 -2.702 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.827 -3.022 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.652 -5.279 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.111 -5.187 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.804 -4.541 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.957 -6.065 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 12 8.293 -5.003 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.860 -2.801 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.459 -1.581 -3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.795 -3.425 -4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.737 -1.933 -4.649 1.00 0.00 H new TER 257 ARG A 12