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+ -160:sc= -0.525 (180deg=-1.73) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.871 2.204 2.354 1.00 0.00 N1+ ATOM 2 CA ARG A 1 -8.233 0.865 2.252 1.00 0.00 C ATOM 3 C ARG A 1 -7.290 0.793 1.056 1.00 0.00 C ATOM 4 O ARG A 1 -7.501 1.464 0.045 1.00 0.00 O ATOM 5 CB ARG A 1 -9.334 -0.190 2.122 1.00 0.00 C ATOM 6 CG ARG A 1 -10.350 -0.151 3.251 1.00 0.00 C ATOM 7 CD ARG A 1 -11.506 0.782 2.928 1.00 0.00 C ATOM 8 NE ARG A 1 -12.727 0.409 3.639 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.431 -0.690 3.376 1.00 0.00 C ATOM 10 NH1 ARG A 1 -13.037 -1.527 2.425 1.00 0.00 N ATOM 11 NH2 ARG A 1 -14.531 -0.952 4.068 1.00 0.00 N ATOM 0 H1 ARG A 1 -9.225 2.347 3.321 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.172 2.940 2.129 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.664 2.263 1.683 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.640 0.681 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.852 -0.048 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.876 -1.179 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -10.732 -1.156 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.863 0.176 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.231 1.804 3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.693 0.768 1.854 1.00 0.00 H new ATOM 0 HE ARG A 1 -13.059 1.026 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -12.191 -1.330 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -13.580 -2.367 2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -14.837 -0.312 4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -15.071 -1.794 3.868 1.00 0.00 H new ATOM 27 N ARG A 2 -6.249 -0.024 1.178 1.00 0.00 N ATOM 28 CA ARG A 2 -5.272 -0.185 0.107 1.00 0.00 C ATOM 29 C ARG A 2 -4.604 1.146 -0.234 1.00 0.00 C ATOM 30 O ARG A 2 -4.042 1.309 -1.318 1.00 0.00 O ATOM 31 CB ARG A 2 -5.945 -0.763 -1.139 1.00 0.00 C ATOM 32 CG ARG A 2 -6.788 -1.997 -0.857 1.00 0.00 C ATOM 33 CD ARG A 2 -7.991 -2.077 -1.784 1.00 0.00 C ATOM 34 NE ARG A 2 -9.074 -1.192 -1.356 1.00 0.00 N ATOM 35 CZ ARG A 2 -9.289 0.024 -1.858 1.00 0.00 C ATOM 36 NH1 ARG A 2 -8.502 0.513 -2.809 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.299 0.754 -1.405 1.00 0.00 N ATOM 0 H ARG A 2 -6.060 -0.585 2.008 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.503 -0.875 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.576 0.003 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.179 -1.016 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.176 -2.891 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.127 -1.978 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.686 -1.813 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.354 -3.104 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.705 -1.526 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.724 -0.043 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.676 1.445 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.908 0.385 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.467 1.685 -1.787 1.00 0.00 H new ATOM 51 N LEU A 3 -4.658 2.090 0.701 1.00 0.00 N ATOM 52 CA LEU A 3 -4.051 3.398 0.509 1.00 0.00 C ATOM 53 C LEU A 3 -2.580 3.341 0.890 1.00 0.00 C ATOM 54 O LEU A 3 -1.703 3.785 0.148 1.00 0.00 O ATOM 55 CB LEU A 3 -4.799 4.452 1.334 1.00 0.00 C ATOM 56 CG LEU A 3 -4.521 4.460 2.842 1.00 0.00 C ATOM 57 CD1 LEU A 3 -4.899 5.805 3.441 1.00 0.00 C ATOM 58 CD2 LEU A 3 -5.281 3.337 3.535 1.00 0.00 C ATOM 0 H LEU A 3 -5.119 1.970 1.603 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.122 3.682 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.552 5.436 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.869 4.307 1.184 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.454 4.297 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.696 5.796 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.312 6.592 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.960 5.992 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.070 3.360 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.351 3.468 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.967 2.378 3.124 1.00 0.00 H new ATOM 70 N ILE A 4 -2.334 2.752 2.047 1.00 0.00 N ATOM 71 CA ILE A 4 -0.995 2.566 2.573 1.00 0.00 C ATOM 72 C ILE A 4 -0.326 1.386 1.900 1.00 0.00 C ATOM 73 O ILE A 4 0.879 1.190 2.001 1.00 0.00 O ATOM 74 CB ILE A 4 -1.006 2.344 4.098 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.892 1.149 4.454 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.487 3.599 4.812 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.557 0.525 5.791 1.00 0.00 C ATOM 0 H ILE A 4 -3.067 2.386 2.654 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.435 3.478 2.364 1.00 0.00 H new ATOM 0 HB ILE A 4 0.011 2.129 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.934 1.469 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.798 0.392 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.489 3.427 5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.820 4.429 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.497 3.841 4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.225 -0.316 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.525 0.174 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.679 1.267 6.580 1.00 0.00 H new ATOM 89 N ARG A 5 -1.158 0.583 1.268 1.00 0.00 N ATOM 90 CA ARG A 5 -0.745 -0.641 0.607 1.00 0.00 C ATOM 91 C ARG A 5 -0.148 -0.405 -0.736 1.00 0.00 C ATOM 92 O ARG A 5 1.046 -0.605 -0.908 1.00 0.00 O ATOM 93 CB ARG A 5 -1.960 -1.523 0.494 1.00 0.00 C ATOM 94 CG ARG A 5 -2.480 -1.803 1.864 1.00 0.00 C ATOM 95 CD ARG A 5 -1.443 -2.612 2.601 1.00 0.00 C ATOM 96 NE ARG A 5 -1.953 -3.911 3.033 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.390 -4.650 3.986 1.00 0.00 C ATOM 98 NH1 ARG A 5 -0.299 -4.222 4.609 1.00 0.00 N ATOM 99 NH2 ARG A 5 -1.918 -5.820 4.317 1.00 0.00 N ATOM 0 H ARG A 5 -2.159 0.765 1.197 1.00 0.00 H new ATOM 0 HA ARG A 5 0.039 -1.113 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.726 -1.035 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.704 -2.455 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.682 -0.871 2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.421 -2.350 1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.577 -2.761 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.100 -2.052 3.471 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.790 -4.273 2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.112 -3.323 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.128 -4.792 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.756 -6.154 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.486 -6.386 5.047 1.00 0.00 H new ATOM 113 N LEU A 6 -0.938 0.092 -1.674 1.00 0.00 N ATOM 114 CA LEU A 6 -0.406 0.410 -2.987 1.00 0.00 C ATOM 115 C LEU A 6 0.885 1.176 -2.795 1.00 0.00 C ATOM 116 O LEU A 6 1.719 1.283 -3.694 1.00 0.00 O ATOM 117 CB LEU A 6 -1.409 1.220 -3.814 1.00 0.00 C ATOM 118 CG LEU A 6 -2.158 0.423 -4.882 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.209 -0.009 -5.989 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.842 -0.786 -4.263 1.00 0.00 C ATOM 0 H LEU A 6 -1.933 0.281 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.216 -0.510 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.138 1.667 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.879 2.040 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.923 1.066 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.760 -0.575 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.765 0.872 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.421 -0.634 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.370 -1.342 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.094 -1.430 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.553 -0.454 -3.506 1.00 0.00 H new ATOM 132 N ILE A 7 1.031 1.692 -1.581 1.00 0.00 N ATOM 133 CA ILE A 7 2.169 2.426 -1.190 1.00 0.00 C ATOM 134 C ILE A 7 3.174 1.501 -0.594 1.00 0.00 C ATOM 135 O ILE A 7 4.331 1.443 -1.003 1.00 0.00 O ATOM 136 CB ILE A 7 1.731 3.511 -0.180 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.293 4.777 -0.917 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.840 3.830 0.817 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.086 4.572 -1.807 1.00 0.00 C ATOM 0 H ILE A 7 0.332 1.595 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 7 2.630 2.913 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 7 0.884 3.119 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.068 5.553 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.123 5.141 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.496 4.597 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.101 2.929 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.717 4.193 0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.168 5.512 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.314 3.819 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.758 4.238 -1.204 1.00 0.00 H new ATOM 151 N LEU A 8 2.690 0.760 0.347 1.00 0.00 N ATOM 152 CA LEU A 8 3.468 -0.216 1.035 1.00 0.00 C ATOM 153 C LEU A 8 3.991 -1.271 0.087 1.00 0.00 C ATOM 154 O LEU A 8 4.872 -2.065 0.412 1.00 0.00 O ATOM 155 CB LEU A 8 2.583 -0.793 2.112 1.00 0.00 C ATOM 156 CG LEU A 8 2.947 -2.179 2.659 1.00 0.00 C ATOM 157 CD1 LEU A 8 2.629 -3.268 1.642 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.413 -2.228 3.067 1.00 0.00 C ATOM 0 H LEU A 8 1.723 0.817 0.666 1.00 0.00 H new ATOM 0 HA LEU A 8 4.356 0.231 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.571 -0.094 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.566 -0.841 1.722 1.00 0.00 H new ATOM 0 HG LEU A 8 2.341 -2.363 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.897 -4.241 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.564 -3.252 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.199 -3.092 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.651 -3.220 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.039 -2.016 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.600 -1.484 3.841 1.00 0.00 H new ATOM 170 N ARG A 9 3.408 -1.263 -1.074 1.00 0.00 N ATOM 171 CA ARG A 9 3.720 -2.184 -2.124 1.00 0.00 C ATOM 172 C ARG A 9 5.024 -1.826 -2.820 1.00 0.00 C ATOM 173 O ARG A 9 5.902 -2.670 -2.996 1.00 0.00 O ATOM 174 CB ARG A 9 2.564 -2.084 -3.068 1.00 0.00 C ATOM 175 CG ARG A 9 1.250 -2.479 -2.420 1.00 0.00 C ATOM 176 CD ARG A 9 1.265 -3.931 -1.970 1.00 0.00 C ATOM 177 NE ARG A 9 1.778 -4.822 -3.009 1.00 0.00 N ATOM 178 CZ ARG A 9 1.114 -5.123 -4.122 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.089 -4.609 -4.346 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.655 -5.941 -5.015 1.00 0.00 N ATOM 0 H ARG A 9 2.679 -0.594 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 9 3.863 -3.196 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.490 -1.062 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.747 -2.724 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.057 -1.833 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.434 -2.324 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.880 -4.027 -1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.255 -4.236 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 9 2.699 -5.238 -2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.510 -3.979 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.593 -4.844 -5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.579 -6.339 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.147 -6.172 -5.869 1.00 0.00 H new ATOM 194 N LEU A 10 5.155 -0.558 -3.174 1.00 0.00 N ATOM 195 CA LEU A 10 6.370 -0.064 -3.808 1.00 0.00 C ATOM 196 C LEU A 10 7.356 0.262 -2.707 1.00 0.00 C ATOM 197 O LEU A 10 8.574 0.226 -2.883 1.00 0.00 O ATOM 198 CB LEU A 10 6.080 1.178 -4.652 1.00 0.00 C ATOM 199 CG LEU A 10 5.150 0.948 -5.844 1.00 0.00 C ATOM 200 CD1 LEU A 10 4.966 2.236 -6.632 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.696 -0.154 -6.739 1.00 0.00 C ATOM 0 H LEU A 10 4.435 0.150 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 10 6.779 -0.820 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.640 1.941 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.025 1.577 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 10 4.176 0.634 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.301 2.054 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.531 2.999 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.933 2.579 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.022 -0.305 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.681 0.132 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.777 -1.079 -6.169 1.00 0.00 H new ATOM 213 N LEU A 11 6.775 0.557 -1.556 1.00 0.00 N ATOM 214 CA LEU A 11 7.498 0.876 -0.351 1.00 0.00 C ATOM 215 C LEU A 11 8.139 -0.379 0.217 1.00 0.00 C ATOM 216 O LEU A 11 9.282 -0.362 0.675 1.00 0.00 O ATOM 217 CB LEU A 11 6.495 1.433 0.649 1.00 0.00 C ATOM 218 CG LEU A 11 6.144 2.915 0.501 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.617 3.468 1.816 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.343 3.728 0.028 1.00 0.00 C ATOM 0 H LEU A 11 5.762 0.580 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 11 8.285 1.601 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.575 0.854 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.888 1.273 1.653 1.00 0.00 H new ATOM 0 HG LEU A 11 5.365 2.998 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.372 4.523 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.722 2.919 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.379 3.359 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.058 4.776 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.153 3.636 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.677 3.354 -0.940 1.00 0.00 H new ATOM 232 N ARG A 12 7.379 -1.470 0.183 1.00 0.00 N ATOM 233 CA ARG A 12 7.849 -2.754 0.697 1.00 0.00 C ATOM 234 C ARG A 12 7.919 -2.736 2.221 1.00 0.00 C ATOM 235 O ARG A 12 7.553 -1.701 2.817 1.00 0.00 O ATOM 236 CB ARG A 12 9.225 -3.094 0.117 1.00 0.00 C ATOM 237 CG ARG A 12 9.447 -4.583 -0.094 1.00 0.00 C ATOM 238 CD ARG A 12 10.095 -4.868 -1.441 1.00 0.00 C ATOM 239 NE ARG A 12 9.236 -4.472 -2.556 1.00 0.00 N ATOM 240 CZ ARG A 12 9.359 -3.327 -3.227 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.306 -2.452 -2.907 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.529 -3.054 -4.224 1.00 0.00 N ATOM 243 OXT ARG A 12 8.337 -3.758 2.805 1.00 0.00 O ATOM 0 H ARG A 12 6.432 -1.491 -0.196 1.00 0.00 H new ATOM 0 HA ARG A 12 7.136 -3.519 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.345 -2.579 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.996 -2.712 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.078 -4.974 0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.493 -5.106 -0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.044 -4.335 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.321 -5.932 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 12 8.495 -5.113 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.948 -2.653 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.391 -1.579 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.798 -3.720 -4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.621 -2.178 -4.739 1.00 0.00 H new TER 257 ARG A 12