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+ -172:sc= 0 (180deg=-0.0904) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -9.009 2.161 2.198 1.00 0.00 N1+ ATOM 2 CA ARG A 1 -8.265 0.874 2.183 1.00 0.00 C ATOM 3 C ARG A 1 -7.286 0.816 1.015 1.00 0.00 C ATOM 4 O ARG A 1 -7.460 1.506 0.011 1.00 0.00 O ATOM 5 CB ARG A 1 -9.273 -0.272 2.084 1.00 0.00 C ATOM 6 CG ARG A 1 -9.968 -0.586 3.399 1.00 0.00 C ATOM 7 CD ARG A 1 -11.478 -0.647 3.235 1.00 0.00 C ATOM 8 NE ARG A 1 -12.055 0.673 2.991 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.357 0.892 2.820 1.00 0.00 C ATOM 10 NH1 ARG A 1 -14.218 -0.117 2.864 1.00 0.00 N ATOM 11 NH2 ARG A 1 -13.799 2.123 2.603 1.00 0.00 N ATOM 0 H1 ARG A 1 -9.566 2.230 3.074 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.335 2.952 2.153 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.647 2.203 1.378 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.685 0.786 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -10.025 -0.020 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.760 -1.167 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.605 -1.539 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.712 0.175 4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.726 -1.310 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.923 -1.077 4.132 1.00 0.00 H new ATOM 0 HE ARG A 1 -11.424 1.473 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -13.883 -1.066 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -15.214 0.057 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -13.142 2.902 2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -14.796 2.291 2.472 1.00 0.00 H new ATOM 27 N ARG A 2 -6.257 -0.013 1.155 1.00 0.00 N ATOM 28 CA ARG A 2 -5.247 -0.165 0.112 1.00 0.00 C ATOM 29 C ARG A 2 -4.585 1.174 -0.211 1.00 0.00 C ATOM 30 O ARG A 2 -4.031 1.357 -1.295 1.00 0.00 O ATOM 31 CB ARG A 2 -5.875 -0.752 -1.155 1.00 0.00 C ATOM 32 CG ARG A 2 -6.798 -1.931 -0.891 1.00 0.00 C ATOM 33 CD ARG A 2 -8.039 -1.877 -1.769 1.00 0.00 C ATOM 34 NE ARG A 2 -8.797 -0.642 -1.574 1.00 0.00 N ATOM 35 CZ ARG A 2 -10.051 -0.469 -1.985 1.00 0.00 C ATOM 36 NH1 ARG A 2 -10.692 -1.447 -2.614 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.667 0.684 -1.766 1.00 0.00 N ATOM 0 H ARG A 2 -6.100 -0.591 1.981 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.482 -0.847 0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.436 0.030 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.080 -1.068 -1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.262 -2.862 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.094 -1.935 0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.746 -1.961 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.677 -2.732 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.338 0.133 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.223 -2.337 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.653 -1.308 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.180 1.439 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.628 0.817 -2.081 1.00 0.00 H new ATOM 51 N LEU A 3 -4.639 2.101 0.739 1.00 0.00 N ATOM 52 CA LEU A 3 -4.040 3.416 0.565 1.00 0.00 C ATOM 53 C LEU A 3 -2.567 3.363 0.938 1.00 0.00 C ATOM 54 O LEU A 3 -1.698 3.833 0.203 1.00 0.00 O ATOM 55 CB LEU A 3 -4.790 4.452 1.409 1.00 0.00 C ATOM 56 CG LEU A 3 -4.509 4.433 2.916 1.00 0.00 C ATOM 57 CD1 LEU A 3 -4.889 5.767 3.541 1.00 0.00 C ATOM 58 CD2 LEU A 3 -5.265 3.295 3.590 1.00 0.00 C ATOM 0 H LEU A 3 -5.094 1.963 1.641 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.117 3.715 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.547 5.444 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.860 4.306 1.259 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.442 4.270 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.684 5.739 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.305 6.564 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.950 5.955 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.052 3.299 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.336 3.426 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.949 2.344 3.161 1.00 0.00 H new ATOM 70 N ILE A 4 -2.310 2.752 2.081 1.00 0.00 N ATOM 71 CA ILE A 4 -0.966 2.568 2.597 1.00 0.00 C ATOM 72 C ILE A 4 -0.302 1.385 1.924 1.00 0.00 C ATOM 73 O ILE A 4 0.905 1.191 2.016 1.00 0.00 O ATOM 74 CB ILE A 4 -0.965 2.354 4.123 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.878 1.185 4.496 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.403 3.624 4.836 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.582 0.599 5.860 1.00 0.00 C ATOM 0 H ILE A 4 -3.037 2.366 2.683 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.407 3.478 2.379 1.00 0.00 H new ATOM 0 HB ILE A 4 0.050 2.114 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.914 1.522 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.779 0.402 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.397 3.457 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.716 4.434 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.410 3.892 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.267 -0.225 6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.556 0.232 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.709 1.368 6.622 1.00 0.00 H new ATOM 89 N ARG A 5 -1.137 0.578 1.303 1.00 0.00 N ATOM 90 CA ARG A 5 -0.728 -0.650 0.646 1.00 0.00 C ATOM 91 C ARG A 5 -0.142 -0.418 -0.703 1.00 0.00 C ATOM 92 O ARG A 5 1.050 -0.617 -0.885 1.00 0.00 O ATOM 93 CB ARG A 5 -1.942 -1.534 0.545 1.00 0.00 C ATOM 94 CG ARG A 5 -2.452 -1.805 1.921 1.00 0.00 C ATOM 95 CD ARG A 5 -1.409 -2.607 2.657 1.00 0.00 C ATOM 96 NE ARG A 5 -1.912 -3.904 3.101 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.275 -4.690 3.965 1.00 0.00 C ATOM 98 NH1 ARG A 5 -0.113 -4.313 4.484 1.00 0.00 N ATOM 99 NH2 ARG A 5 -1.802 -5.856 4.313 1.00 0.00 N ATOM 0 H ARG A 5 -2.139 0.759 1.239 1.00 0.00 H new ATOM 0 HA ARG A 5 0.059 -1.120 1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.713 -1.050 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.688 -2.469 0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.652 -0.870 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.393 -2.353 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.547 -2.758 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.062 -2.040 3.521 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.804 -4.226 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.296 -3.416 4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.371 -4.920 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.695 -6.150 3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.314 -6.459 4.975 1.00 0.00 H new ATOM 113 N LEU A 6 -0.942 0.073 -1.636 1.00 0.00 N ATOM 114 CA LEU A 6 -0.423 0.387 -2.955 1.00 0.00 C ATOM 115 C LEU A 6 0.868 1.157 -2.777 1.00 0.00 C ATOM 116 O LEU A 6 1.693 1.263 -3.685 1.00 0.00 O ATOM 117 CB LEU A 6 -1.436 1.192 -3.773 1.00 0.00 C ATOM 118 CG LEU A 6 -2.210 0.388 -4.819 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.285 -0.059 -5.940 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.886 -0.812 -4.173 1.00 0.00 C ATOM 0 H LEU A 6 -1.936 0.260 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.236 -0.533 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.150 1.651 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.910 2.003 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.981 1.029 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.853 -0.630 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.846 0.816 -6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.492 -0.684 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.432 -1.373 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.131 -1.454 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.579 -0.469 -3.405 1.00 0.00 H new ATOM 132 N ILE A 7 1.023 1.677 -1.567 1.00 0.00 N ATOM 133 CA ILE A 7 2.161 2.416 -1.189 1.00 0.00 C ATOM 134 C ILE A 7 3.173 1.497 -0.593 1.00 0.00 C ATOM 135 O ILE A 7 4.327 1.442 -1.008 1.00 0.00 O ATOM 136 CB ILE A 7 1.727 3.507 -0.183 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.285 4.768 -0.927 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.840 3.832 0.807 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.048 4.569 -1.774 1.00 0.00 C ATOM 0 H ILE A 7 0.331 1.580 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 7 2.615 2.898 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 7 0.883 3.119 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.095 5.560 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.101 5.108 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.499 4.603 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.103 2.934 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.715 4.192 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.207 5.505 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.239 3.800 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.782 4.259 -1.139 1.00 0.00 H new ATOM 151 N LEU A 8 2.697 0.757 0.353 1.00 0.00 N ATOM 152 CA LEU A 8 3.484 -0.213 1.040 1.00 0.00 C ATOM 153 C LEU A 8 4.004 -1.270 0.094 1.00 0.00 C ATOM 154 O LEU A 8 4.891 -2.059 0.417 1.00 0.00 O ATOM 155 CB LEU A 8 2.609 -0.788 2.125 1.00 0.00 C ATOM 156 CG LEU A 8 2.984 -2.168 2.680 1.00 0.00 C ATOM 157 CD1 LEU A 8 2.668 -3.266 1.673 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.452 -2.206 3.081 1.00 0.00 C ATOM 0 H LEU A 8 1.731 0.811 0.676 1.00 0.00 H new ATOM 0 HA LEU A 8 4.374 0.239 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.597 -0.083 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.591 -0.845 1.741 1.00 0.00 H new ATOM 0 HG LEU A 8 2.383 -2.348 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.944 -4.234 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.601 -3.258 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.233 -3.093 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.697 -3.194 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.073 -1.996 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.639 -1.455 3.849 1.00 0.00 H new ATOM 170 N ARG A 9 3.414 -1.271 -1.064 1.00 0.00 N ATOM 171 CA ARG A 9 3.724 -2.195 -2.111 1.00 0.00 C ATOM 172 C ARG A 9 5.020 -1.833 -2.821 1.00 0.00 C ATOM 173 O ARG A 9 5.904 -2.672 -2.997 1.00 0.00 O ATOM 174 CB ARG A 9 2.558 -2.108 -3.044 1.00 0.00 C ATOM 175 CG ARG A 9 1.253 -2.506 -2.381 1.00 0.00 C ATOM 176 CD ARG A 9 1.283 -3.953 -1.914 1.00 0.00 C ATOM 177 NE ARG A 9 1.797 -4.852 -2.945 1.00 0.00 N ATOM 178 CZ ARG A 9 1.129 -5.170 -4.052 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.080 -4.668 -4.274 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.671 -5.993 -4.939 1.00 0.00 N ATOM 0 H ARG A 9 2.681 -0.607 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 9 3.879 -3.203 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.474 -1.089 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.736 -2.753 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.062 -1.852 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.430 -2.366 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.904 -4.033 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.277 -4.263 -1.631 1.00 0.00 H new ATOM 0 HE ARG A 9 2.722 -5.260 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.502 -4.035 -3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.587 -4.915 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.599 -6.382 -4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.160 -6.237 -5.787 1.00 0.00 H new ATOM 194 N LEU A 10 5.139 -0.568 -3.187 1.00 0.00 N ATOM 195 CA LEU A 10 6.346 -0.071 -3.835 1.00 0.00 C ATOM 196 C LEU A 10 7.340 0.273 -2.747 1.00 0.00 C ATOM 197 O LEU A 10 8.556 0.270 -2.942 1.00 0.00 O ATOM 198 CB LEU A 10 6.039 1.159 -4.692 1.00 0.00 C ATOM 199 CG LEU A 10 5.063 0.917 -5.844 1.00 0.00 C ATOM 200 CD1 LEU A 10 4.842 2.197 -6.635 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.577 -0.192 -6.750 1.00 0.00 C ATOM 0 H LEU A 10 4.415 0.136 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 10 6.756 -0.831 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.632 1.939 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.974 1.540 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 10 4.106 0.605 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.145 2.005 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.431 2.964 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.792 2.541 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.871 -0.352 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.546 0.093 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.682 -1.112 -6.175 1.00 0.00 H new ATOM 213 N LEU A 11 6.769 0.547 -1.586 1.00 0.00 N ATOM 214 CA LEU A 11 7.502 0.880 -0.391 1.00 0.00 C ATOM 215 C LEU A 11 8.150 -0.369 0.183 1.00 0.00 C ATOM 216 O LEU A 11 9.298 -0.349 0.627 1.00 0.00 O ATOM 217 CB LEU A 11 6.507 1.445 0.612 1.00 0.00 C ATOM 218 CG LEU A 11 6.153 2.925 0.451 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.635 3.490 1.764 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.347 3.733 -0.039 1.00 0.00 C ATOM 0 H LEU A 11 5.758 0.542 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 11 8.285 1.605 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.587 0.864 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.908 1.296 1.614 1.00 0.00 H new ATOM 0 HG LEU A 11 5.368 3.001 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.387 4.544 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.743 2.942 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.403 3.390 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.060 4.780 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.162 3.649 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.674 3.349 -1.005 1.00 0.00 H new ATOM 232 N ARG A 12 7.388 -1.459 0.169 1.00 0.00 N ATOM 233 CA ARG A 12 7.863 -2.739 0.689 1.00 0.00 C ATOM 234 C ARG A 12 7.923 -2.717 2.213 1.00 0.00 C ATOM 235 O ARG A 12 8.128 -1.624 2.780 1.00 0.00 O ATOM 236 CB ARG A 12 9.243 -3.074 0.117 1.00 0.00 C ATOM 237 CG ARG A 12 9.489 -4.566 -0.045 1.00 0.00 C ATOM 238 CD ARG A 12 10.049 -4.898 -1.420 1.00 0.00 C ATOM 239 NE ARG A 12 9.134 -4.512 -2.494 1.00 0.00 N ATOM 240 CZ ARG A 12 9.247 -3.392 -3.209 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.229 -2.531 -2.968 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.371 -3.131 -4.169 1.00 0.00 N ATOM 243 OXT ARG A 12 7.764 -3.794 2.826 1.00 0.00 O ATOM 0 H ARG A 12 6.436 -1.482 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 12 7.157 -3.510 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.353 -2.589 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.009 -2.657 0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.184 -4.906 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.555 -5.107 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.003 -4.388 -1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.249 -5.968 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 12 8.360 -5.140 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.906 -2.723 -2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.306 -1.677 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.613 -3.786 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.455 -2.275 -4.717 1.00 0.00 H new TER 257 ARG A 12