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+ -145:sc= -0.0534 (180deg=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.402 1.648 2.382 1.00 0.00 N1+ ATOM 2 CA ARG A 1 -7.875 0.296 2.709 1.00 0.00 C ATOM 3 C ARG A 1 -6.530 0.047 2.035 1.00 0.00 C ATOM 4 O ARG A 1 -5.548 -0.291 2.695 1.00 0.00 O ATOM 5 CB ARG A 1 -8.894 -0.749 2.252 1.00 0.00 C ATOM 6 CG ARG A 1 -9.987 -1.021 3.274 1.00 0.00 C ATOM 7 CD ARG A 1 -11.346 -1.187 2.612 1.00 0.00 C ATOM 8 NE ARG A 1 -12.319 -0.216 3.108 1.00 0.00 N ATOM 9 CZ ARG A 1 -12.401 1.040 2.675 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.573 1.483 1.736 1.00 0.00 N ATOM 11 NH2 ARG A 1 -13.313 1.858 3.183 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.910 2.031 3.205 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.612 2.279 2.139 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.053 1.581 1.574 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.720 0.226 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.353 -0.414 1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.373 -1.681 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.743 -1.922 3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.029 -0.200 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.240 -1.075 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.716 -2.196 2.793 1.00 0.00 H new ATOM 0 HE ARG A 1 -12.974 -0.519 3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.868 0.860 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -11.642 2.447 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -13.951 1.525 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -13.376 2.821 2.851 1.00 0.00 H new ATOM 27 N ARG A 2 -6.492 0.212 0.717 1.00 0.00 N ATOM 28 CA ARG A 2 -5.266 0.000 -0.044 1.00 0.00 C ATOM 29 C ARG A 2 -4.600 1.330 -0.388 1.00 0.00 C ATOM 30 O ARG A 2 -4.028 1.490 -1.466 1.00 0.00 O ATOM 31 CB ARG A 2 -5.566 -0.782 -1.324 1.00 0.00 C ATOM 32 CG ARG A 2 -6.420 -2.021 -1.094 1.00 0.00 C ATOM 33 CD ARG A 2 -7.506 -2.158 -2.151 1.00 0.00 C ATOM 34 NE ARG A 2 -8.716 -1.417 -1.795 1.00 0.00 N ATOM 35 CZ ARG A 2 -9.048 -0.233 -2.310 1.00 0.00 C ATOM 36 NH1 ARG A 2 -8.262 0.365 -3.199 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.171 0.359 -1.930 1.00 0.00 N ATOM 0 H ARG A 2 -7.295 0.492 0.154 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.579 -0.578 0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.075 -0.126 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.625 -1.080 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.786 -2.908 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.878 -1.970 -0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.128 -1.797 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.752 -3.212 -2.283 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.346 -1.833 -1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.394 -0.082 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.527 1.271 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.778 -0.091 -1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.428 1.265 -2.322 1.00 0.00 H new ATOM 51 N LEU A 3 -4.668 2.275 0.543 1.00 0.00 N ATOM 52 CA LEU A 3 -4.064 3.586 0.355 1.00 0.00 C ATOM 53 C LEU A 3 -2.597 3.529 0.751 1.00 0.00 C ATOM 54 O LEU A 3 -1.714 3.966 0.015 1.00 0.00 O ATOM 55 CB LEU A 3 -4.821 4.640 1.171 1.00 0.00 C ATOM 56 CG LEU A 3 -4.555 4.653 2.680 1.00 0.00 C ATOM 57 CD1 LEU A 3 -4.949 5.997 3.274 1.00 0.00 C ATOM 58 CD2 LEU A 3 -5.312 3.526 3.369 1.00 0.00 C ATOM 0 H LEU A 3 -5.139 2.155 1.440 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.128 3.871 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.574 5.624 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.889 4.492 1.014 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.488 4.498 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.755 5.992 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.365 6.788 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.010 6.175 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.109 3.553 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.382 3.649 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.988 2.568 2.962 1.00 0.00 H new ATOM 70 N ILE A 4 -2.363 2.940 1.910 1.00 0.00 N ATOM 71 CA ILE A 4 -1.028 2.746 2.444 1.00 0.00 C ATOM 72 C ILE A 4 -0.380 1.546 1.787 1.00 0.00 C ATOM 73 O ILE A 4 0.820 1.324 1.895 1.00 0.00 O ATOM 74 CB ILE A 4 -1.040 2.548 3.973 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.922 1.357 4.348 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.521 3.812 4.670 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.558 0.730 5.675 1.00 0.00 C ATOM 0 H ILE A 4 -3.103 2.579 2.513 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.456 3.648 2.227 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.022 2.341 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.962 1.682 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.849 0.601 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.523 3.654 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.854 4.639 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.531 4.050 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.225 -0.108 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.528 0.374 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.658 1.472 6.467 1.00 0.00 H new ATOM 89 N ARG A 5 -1.228 0.754 1.165 1.00 0.00 N ATOM 90 CA ARG A 5 -0.845 -0.487 0.522 1.00 0.00 C ATOM 91 C ARG A 5 -0.211 -0.286 -0.812 1.00 0.00 C ATOM 92 O ARG A 5 0.979 -0.528 -0.954 1.00 0.00 O ATOM 93 CB ARG A 5 -2.088 -1.325 0.395 1.00 0.00 C ATOM 94 CG ARG A 5 -2.606 -1.614 1.763 1.00 0.00 C ATOM 95 CD ARG A 5 -1.602 -2.493 2.467 1.00 0.00 C ATOM 96 NE ARG A 5 -2.172 -3.775 2.873 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.619 -4.579 3.779 1.00 0.00 C ATOM 98 NH1 ARG A 5 -0.477 -4.243 4.365 1.00 0.00 N ATOM 99 NH2 ARG A 5 -2.209 -5.723 4.097 1.00 0.00 N ATOM 0 H ARG A 5 -2.224 0.959 1.090 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.088 -0.981 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.841 -0.799 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.866 -2.254 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.756 -0.687 2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.574 -2.111 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.752 -2.669 1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.221 -1.973 3.346 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.045 -4.072 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.018 -3.365 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.058 -4.863 5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.086 -5.987 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.786 -6.339 4.791 1.00 0.00 H new ATOM 113 N LEU A 6 -0.962 0.225 -1.776 1.00 0.00 N ATOM 114 CA LEU A 6 -0.389 0.510 -3.081 1.00 0.00 C ATOM 115 C LEU A 6 0.919 1.242 -2.868 1.00 0.00 C ATOM 116 O LEU A 6 1.776 1.314 -3.749 1.00 0.00 O ATOM 117 CB LEU A 6 -1.347 1.336 -3.944 1.00 0.00 C ATOM 118 CG LEU A 6 -2.025 0.563 -5.077 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.011 0.179 -6.144 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.723 -0.675 -4.533 1.00 0.00 C ATOM 0 H LEU A 6 -1.953 0.448 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.213 -0.423 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.118 1.760 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.796 2.172 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.775 1.209 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.512 -0.370 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.556 1.080 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.238 -0.449 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.200 -1.213 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.991 -1.323 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.479 -0.377 -3.806 1.00 0.00 H new ATOM 132 N ILE A 7 1.050 1.772 -1.658 1.00 0.00 N ATOM 133 CA ILE A 7 2.199 2.482 -1.250 1.00 0.00 C ATOM 134 C ILE A 7 3.164 1.539 -0.617 1.00 0.00 C ATOM 135 O ILE A 7 4.334 1.456 -0.984 1.00 0.00 O ATOM 136 CB ILE A 7 1.768 3.590 -0.263 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.384 4.860 -1.024 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.864 3.888 0.753 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.120 4.717 -1.843 1.00 0.00 C ATOM 0 H ILE A 7 0.331 1.705 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 7 2.691 2.945 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 7 0.897 3.230 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.255 5.675 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.205 5.140 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.528 4.672 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.087 2.986 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.762 4.220 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.090 5.656 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.251 3.924 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.713 4.468 -1.186 1.00 0.00 H new ATOM 151 N LEU A 8 2.632 0.809 0.308 1.00 0.00 N ATOM 152 CA LEU A 8 3.364 -0.181 1.024 1.00 0.00 C ATOM 153 C LEU A 8 3.882 -1.255 0.095 1.00 0.00 C ATOM 154 O LEU A 8 4.735 -2.069 0.445 1.00 0.00 O ATOM 155 CB LEU A 8 2.432 -0.726 2.075 1.00 0.00 C ATOM 156 CG LEU A 8 2.809 -2.057 2.736 1.00 0.00 C ATOM 157 CD1 LEU A 8 2.625 -3.221 1.771 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.236 -2.011 3.264 1.00 0.00 C ATOM 0 H LEU A 8 1.655 0.887 0.592 1.00 0.00 H new ATOM 0 HA LEU A 8 4.251 0.242 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.336 0.024 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.447 -0.842 1.623 1.00 0.00 H new ATOM 0 HG LEU A 8 2.138 -2.215 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.900 -4.152 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.583 -3.272 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.261 -3.074 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.483 -2.965 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.923 -1.821 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.325 -1.214 4.002 1.00 0.00 H new ATOM 170 N ARG A 9 3.329 -1.235 -1.082 1.00 0.00 N ATOM 171 CA ARG A 9 3.643 -2.165 -2.125 1.00 0.00 C ATOM 172 C ARG A 9 4.982 -1.852 -2.775 1.00 0.00 C ATOM 173 O ARG A 9 5.836 -2.726 -2.926 1.00 0.00 O ATOM 174 CB ARG A 9 2.524 -2.019 -3.107 1.00 0.00 C ATOM 175 CG ARG A 9 1.176 -2.387 -2.515 1.00 0.00 C ATOM 176 CD ARG A 9 1.138 -3.841 -2.073 1.00 0.00 C ATOM 177 NE ARG A 9 1.634 -4.740 -3.111 1.00 0.00 N ATOM 178 CZ ARG A 9 0.977 -5.005 -4.238 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.207 -4.453 -4.470 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.506 -5.826 -5.134 1.00 0.00 N ATOM 0 H ARG A 9 2.624 -0.548 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 9 3.736 -3.182 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.491 -0.990 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.721 -2.651 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.963 -1.741 -1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.393 -2.210 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.738 -3.962 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.115 -4.115 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 9 2.537 -5.191 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.619 -3.822 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.705 -4.660 -5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.415 -6.254 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.004 -6.030 -5.998 1.00 0.00 H new ATOM 194 N LEU A 10 5.171 -0.588 -3.118 1.00 0.00 N ATOM 195 CA LEU A 10 6.423 -0.133 -3.707 1.00 0.00 C ATOM 196 C LEU A 10 7.378 0.151 -2.569 1.00 0.00 C ATOM 197 O LEU A 10 8.598 0.030 -2.689 1.00 0.00 O ATOM 198 CB LEU A 10 6.199 1.122 -4.553 1.00 0.00 C ATOM 199 CG LEU A 10 5.244 0.940 -5.734 1.00 0.00 C ATOM 200 CD1 LEU A 10 5.129 2.229 -6.532 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.712 -0.200 -6.625 1.00 0.00 C ATOM 0 H LEU A 10 4.471 0.145 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 10 6.834 -0.896 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.812 1.912 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.162 1.463 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 10 4.257 0.690 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.445 2.080 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.748 3.022 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.111 2.510 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.021 -0.316 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.709 0.022 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.742 -1.124 -6.048 1.00 0.00 H new ATOM 213 N LEU A 11 6.767 0.500 -1.449 1.00 0.00 N ATOM 214 CA LEU A 11 7.458 0.784 -0.218 1.00 0.00 C ATOM 215 C LEU A 11 8.046 -0.498 0.345 1.00 0.00 C ATOM 216 O LEU A 11 9.169 -0.520 0.848 1.00 0.00 O ATOM 217 CB LEU A 11 6.439 1.352 0.759 1.00 0.00 C ATOM 218 CG LEU A 11 6.132 2.844 0.621 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.564 3.389 1.922 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.372 3.630 0.213 1.00 0.00 C ATOM 0 H LEU A 11 5.754 0.594 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 11 8.268 1.494 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.507 0.798 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.796 1.168 1.772 1.00 0.00 H new ATOM 0 HG LEU A 11 5.388 2.962 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.350 4.452 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.644 2.858 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.290 3.248 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.120 4.687 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.147 3.505 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.737 3.262 -0.746 1.00 0.00 H new ATOM 232 N ARG A 12 7.261 -1.569 0.250 1.00 0.00 N ATOM 233 CA ARG A 12 7.679 -2.876 0.746 1.00 0.00 C ATOM 234 C ARG A 12 7.700 -2.898 2.271 1.00 0.00 C ATOM 235 O ARG A 12 8.275 -1.963 2.868 1.00 0.00 O ATOM 236 CB ARG A 12 9.062 -3.239 0.197 1.00 0.00 C ATOM 237 CG ARG A 12 9.202 -4.704 -0.185 1.00 0.00 C ATOM 238 CD ARG A 12 9.939 -4.873 -1.505 1.00 0.00 C ATOM 239 NE ARG A 12 9.218 -4.263 -2.622 1.00 0.00 N ATOM 240 CZ ARG A 12 9.490 -3.057 -3.120 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.448 -2.306 -2.590 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.796 -2.597 -4.152 1.00 0.00 N ATOM 243 OXT ARG A 12 7.142 -3.851 2.857 1.00 0.00 O ATOM 0 H ARG A 12 6.330 -1.556 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 12 6.956 -3.615 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.269 -2.623 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.816 -2.994 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.738 -5.236 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.213 -5.157 -0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.930 -4.425 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.084 -5.935 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 12 8.458 -4.795 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.984 -2.651 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.648 -1.385 -2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.056 -3.166 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.002 -1.674 -4.535 1.00 0.00 H new TER 257 ARG A 12