USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 130 hydrogens (2 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 ILE N :NH3+ -155:sc=-0.00846 (180deg=-0.264) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -13.128 1.431 8.400 1.00 0.00 N ATOM 2 CA ILE A 1 -13.037 0.303 7.429 1.00 0.00 C ATOM 3 C ILE A 1 -12.643 0.825 6.045 1.00 0.00 C ATOM 4 O ILE A 1 -13.437 0.835 5.126 1.00 0.00 O ATOM 5 CB ILE A 1 -14.441 -0.303 7.394 1.00 0.00 C ATOM 6 CG1 ILE A 1 -14.757 -0.934 8.751 1.00 0.00 C ATOM 7 CG2 ILE A 1 -14.505 -1.376 6.306 1.00 0.00 C ATOM 8 CD1 ILE A 1 -15.913 -0.179 9.409 1.00 0.00 C ATOM 0 H1 ILE A 1 -12.973 1.073 9.364 1.00 0.00 H new ATOM 0 H2 ILE A 1 -12.404 2.143 8.174 1.00 0.00 H new ATOM 0 H3 ILE A 1 -14.071 1.866 8.340 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.283 -0.430 7.717 1.00 0.00 H new ATOM 0 HB ILE A 1 -15.170 0.478 7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -15.021 -1.984 8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -13.876 -0.902 9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -15.505 -1.809 6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -14.279 -0.927 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -13.777 -2.158 6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -16.138 -0.629 10.376 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -15.632 0.865 9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -16.794 -0.234 8.770 1.00 0.00 H new ATOM 22 N LEU A 2 -11.423 1.260 5.891 1.00 0.00 N ATOM 23 CA LEU A 2 -10.979 1.780 4.566 1.00 0.00 C ATOM 24 C LEU A 2 -9.451 1.742 4.466 1.00 0.00 C ATOM 25 O LEU A 2 -8.765 2.602 4.982 1.00 0.00 O ATOM 26 CB LEU A 2 -11.483 3.223 4.519 1.00 0.00 C ATOM 27 CG LEU A 2 -11.692 3.644 3.064 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.109 4.196 2.891 1.00 0.00 C ATOM 29 CD2 LEU A 2 -10.676 4.728 2.697 1.00 0.00 C ATOM 0 H LEU A 2 -10.714 1.278 6.624 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.365 1.185 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.418 3.311 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.764 3.886 5.001 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.556 2.781 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.258 4.496 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.834 3.426 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.245 5.060 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.824 5.029 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.813 5.591 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.666 4.337 2.821 1.00 0.00 H new ATOM 41 N ALA A 3 -8.912 0.753 3.805 1.00 0.00 N ATOM 42 CA ALA A 3 -7.432 0.660 3.668 1.00 0.00 C ATOM 43 C ALA A 3 -7.048 -0.708 3.102 1.00 0.00 C ATOM 44 O ALA A 3 -7.615 -1.723 3.460 1.00 0.00 O ATOM 45 CB ALA A 3 -6.882 0.823 5.083 1.00 0.00 C ATOM 0 H ALA A 3 -9.436 0.004 3.353 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.033 1.416 2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.794 0.765 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.185 1.791 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.274 0.030 5.719 1.00 0.00 H new ATOM 51 N TRP A 4 -6.089 -0.741 2.224 1.00 0.00 N ATOM 52 CA TRP A 4 -5.654 -2.037 1.624 1.00 0.00 C ATOM 53 C TRP A 4 -4.701 -1.770 0.461 1.00 0.00 C ATOM 54 O TRP A 4 -3.562 -2.193 0.466 1.00 0.00 O ATOM 55 CB TRP A 4 -6.933 -2.711 1.126 1.00 0.00 C ATOM 56 CG TRP A 4 -7.041 -4.073 1.733 1.00 0.00 C ATOM 57 CD1 TRP A 4 -8.021 -4.474 2.575 1.00 0.00 C ATOM 58 CD2 TRP A 4 -6.151 -5.214 1.565 1.00 0.00 C ATOM 59 NE1 TRP A 4 -7.790 -5.790 2.932 1.00 0.00 N ATOM 60 CE2 TRP A 4 -6.650 -6.291 2.335 1.00 0.00 C ATOM 61 CE3 TRP A 4 -4.972 -5.417 0.825 1.00 0.00 C ATOM 62 CZ2 TRP A 4 -6.003 -7.526 2.370 1.00 0.00 C ATOM 63 CZ3 TRP A 4 -4.318 -6.659 0.859 1.00 0.00 C ATOM 64 CH2 TRP A 4 -4.833 -7.712 1.630 1.00 0.00 C ATOM 0 H TRP A 4 -5.582 0.079 1.891 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.127 -2.667 2.341 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.802 -2.111 1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.919 -2.785 0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.848 -3.867 2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.389 -6.326 3.560 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.568 -4.613 0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.404 -8.333 2.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.413 -6.805 0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.325 -8.665 1.651 1.00 0.00 H new ATOM 75 N LYS A 5 -5.156 -1.054 -0.527 1.00 0.00 N ATOM 76 CA LYS A 5 -4.274 -0.737 -1.687 1.00 0.00 C ATOM 77 C LYS A 5 -3.162 0.221 -1.246 1.00 0.00 C ATOM 78 O LYS A 5 -2.265 0.540 -2.002 1.00 0.00 O ATOM 79 CB LYS A 5 -5.190 -0.064 -2.711 1.00 0.00 C ATOM 80 CG LYS A 5 -4.429 0.129 -4.025 1.00 0.00 C ATOM 81 CD LYS A 5 -4.897 -0.911 -5.044 1.00 0.00 C ATOM 82 CE LYS A 5 -4.011 -2.155 -4.949 1.00 0.00 C ATOM 83 NZ LYS A 5 -3.410 -2.305 -6.304 1.00 0.00 N ATOM 0 H LYS A 5 -6.101 -0.674 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.791 -1.623 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.077 -0.675 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.532 0.899 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.599 1.134 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.357 0.030 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.937 -1.177 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.851 -0.495 -6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.241 -2.034 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.594 -3.035 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.788 -3.139 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.166 -2.425 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.855 -1.456 -6.534 1.00 0.00 H new ATOM 97 N TRP A 6 -3.212 0.676 -0.021 1.00 0.00 N ATOM 98 CA TRP A 6 -2.151 1.608 0.475 1.00 0.00 C ATOM 99 C TRP A 6 -0.944 0.802 0.961 1.00 0.00 C ATOM 100 O TRP A 6 0.185 1.084 0.613 1.00 0.00 O ATOM 101 CB TRP A 6 -2.774 2.386 1.643 1.00 0.00 C ATOM 102 CG TRP A 6 -2.632 3.854 1.392 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.636 4.758 1.469 1.00 0.00 C ATOM 104 CD2 TRP A 6 -1.436 4.599 1.024 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.132 6.011 1.173 1.00 0.00 N ATOM 106 CE2 TRP A 6 -1.781 5.966 0.892 1.00 0.00 C ATOM 107 CE3 TRP A 6 -0.099 4.228 0.795 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -0.832 6.928 0.544 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.858 5.194 0.445 1.00 0.00 C ATOM 110 CH2 TRP A 6 0.491 6.543 0.320 1.00 0.00 C ATOM 0 H TRP A 6 -3.938 0.445 0.657 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.809 2.283 -0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.827 2.124 1.749 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.283 2.116 2.578 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.663 4.537 1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.690 6.865 1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.194 3.193 0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.119 7.965 0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.882 4.897 0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.231 7.282 0.051 1.00 0.00 H new ATOM 121 N ALA A 7 -1.177 -0.202 1.763 1.00 0.00 N ATOM 122 CA ALA A 7 -0.048 -1.030 2.271 1.00 0.00 C ATOM 123 C ALA A 7 0.787 -1.558 1.102 1.00 0.00 C ATOM 124 O ALA A 7 1.982 -1.746 1.214 1.00 0.00 O ATOM 125 CB ALA A 7 -0.711 -2.185 3.021 1.00 0.00 C ATOM 0 H ALA A 7 -2.102 -0.484 2.088 1.00 0.00 H new ATOM 0 HA ALA A 7 0.626 -0.462 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.057 -2.843 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.318 -1.789 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.346 -2.747 2.336 1.00 0.00 H new ATOM 131 N TRP A 8 0.165 -1.795 -0.019 1.00 0.00 N ATOM 132 CA TRP A 8 0.920 -2.309 -1.197 1.00 0.00 C ATOM 133 C TRP A 8 2.130 -1.419 -1.471 1.00 0.00 C ATOM 134 O TRP A 8 3.244 -1.726 -1.095 1.00 0.00 O ATOM 135 CB TRP A 8 -0.072 -2.241 -2.366 1.00 0.00 C ATOM 136 CG TRP A 8 0.662 -2.144 -3.677 1.00 0.00 C ATOM 137 CD1 TRP A 8 0.624 -1.082 -4.515 1.00 0.00 C ATOM 138 CD2 TRP A 8 1.537 -3.122 -4.308 1.00 0.00 C ATOM 139 NE1 TRP A 8 1.405 -1.353 -5.623 1.00 0.00 N ATOM 140 CE2 TRP A 8 1.989 -2.599 -5.543 1.00 0.00 C ATOM 141 CE3 TRP A 8 1.972 -4.400 -3.936 1.00 0.00 C ATOM 142 CZ2 TRP A 8 2.841 -3.322 -6.378 1.00 0.00 C ATOM 143 CZ3 TRP A 8 2.831 -5.133 -4.772 1.00 0.00 C ATOM 144 CH2 TRP A 8 3.264 -4.596 -5.991 1.00 0.00 C ATOM 0 H TRP A 8 -0.834 -1.655 -0.171 1.00 0.00 H new ATOM 0 HA TRP A 8 1.295 -3.320 -1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.707 -3.127 -2.363 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.727 -1.378 -2.245 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.072 -0.169 -4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.533 -0.710 -6.404 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.645 -4.826 -2.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 3.171 -2.900 -7.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.160 -6.117 -4.473 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.923 -5.165 -6.630 1.00 0.00 H new ATOM 155 N TRP A 9 1.914 -0.324 -2.141 1.00 0.00 N ATOM 156 CA TRP A 9 3.039 0.586 -2.469 1.00 0.00 C ATOM 157 C TRP A 9 3.912 0.844 -1.234 1.00 0.00 C ATOM 158 O TRP A 9 5.066 1.207 -1.348 1.00 0.00 O ATOM 159 CB TRP A 9 2.377 1.873 -2.956 1.00 0.00 C ATOM 160 CG TRP A 9 3.411 2.757 -3.571 1.00 0.00 C ATOM 161 CD1 TRP A 9 3.691 2.833 -4.892 1.00 0.00 C ATOM 162 CD2 TRP A 9 4.305 3.684 -2.907 1.00 0.00 C ATOM 163 NE1 TRP A 9 4.706 3.756 -5.077 1.00 0.00 N ATOM 164 CE2 TRP A 9 5.118 4.308 -3.879 1.00 0.00 C ATOM 165 CE3 TRP A 9 4.483 4.036 -1.565 1.00 0.00 C ATOM 166 CZ2 TRP A 9 6.079 5.256 -3.525 1.00 0.00 C ATOM 167 CZ3 TRP A 9 5.447 4.987 -1.199 1.00 0.00 C ATOM 168 CH2 TRP A 9 6.245 5.598 -2.178 1.00 0.00 C ATOM 0 H TRP A 9 1.000 -0.020 -2.477 1.00 0.00 H new ATOM 0 HA TRP A 9 3.703 0.162 -3.223 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.599 1.643 -3.684 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.893 2.384 -2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.204 2.268 -5.673 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.101 3.999 -5.986 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.873 3.572 -0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.690 5.722 -4.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.575 5.250 -0.159 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.986 6.331 -1.893 1.00 0.00 H new ATOM 179 N ALA A 10 3.378 0.656 -0.058 1.00 0.00 N ATOM 180 CA ALA A 10 4.192 0.886 1.174 1.00 0.00 C ATOM 181 C ALA A 10 5.172 -0.272 1.378 1.00 0.00 C ATOM 182 O ALA A 10 6.373 -0.091 1.349 1.00 0.00 O ATOM 183 CB ALA A 10 3.178 0.943 2.316 1.00 0.00 C ATOM 0 H ALA A 10 2.417 0.354 0.105 1.00 0.00 H new ATOM 0 HA ALA A 10 4.785 1.798 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.700 1.110 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.477 1.759 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.633 0.001 2.366 1.00 0.00 H new ATOM 189 N TRP A 11 4.672 -1.459 1.578 1.00 0.00 N ATOM 190 CA TRP A 11 5.582 -2.623 1.775 1.00 0.00 C ATOM 191 C TRP A 11 6.680 -2.605 0.710 1.00 0.00 C ATOM 192 O TRP A 11 7.840 -2.841 0.985 1.00 0.00 O ATOM 193 CB TRP A 11 4.680 -3.861 1.613 1.00 0.00 C ATOM 194 CG TRP A 11 4.824 -4.444 0.233 1.00 0.00 C ATOM 195 CD1 TRP A 11 3.925 -4.316 -0.765 1.00 0.00 C ATOM 196 CD2 TRP A 11 5.927 -5.222 -0.315 1.00 0.00 C ATOM 197 NE1 TRP A 11 4.394 -4.983 -1.881 1.00 0.00 N ATOM 198 CE2 TRP A 11 5.625 -5.558 -1.654 1.00 0.00 C ATOM 199 CE3 TRP A 11 7.143 -5.670 0.220 1.00 0.00 C ATOM 200 CZ2 TRP A 11 6.500 -6.312 -2.436 1.00 0.00 C ATOM 201 CZ3 TRP A 11 8.030 -6.429 -0.562 1.00 0.00 C ATOM 202 CH2 TRP A 11 7.708 -6.750 -1.888 1.00 0.00 C ATOM 0 H TRP A 11 3.676 -1.674 1.614 1.00 0.00 H new ATOM 0 HA TRP A 11 6.079 -2.611 2.745 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.944 -4.610 2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.640 -3.586 1.791 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.990 -3.779 -0.702 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.890 -5.042 -2.766 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.400 -5.430 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.246 -6.555 -3.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.965 -6.767 -0.139 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.392 -7.335 -2.485 1.00 0.00 H new ATOM 213 N ARG A 12 6.298 -2.350 -0.512 1.00 0.00 N ATOM 214 CA ARG A 12 7.283 -2.337 -1.626 1.00 0.00 C ATOM 215 C ARG A 12 8.602 -1.710 -1.168 1.00 0.00 C ATOM 216 O ARG A 12 9.672 -2.207 -1.457 1.00 0.00 O ATOM 217 CB ARG A 12 6.640 -1.483 -2.717 1.00 0.00 C ATOM 218 CG ARG A 12 5.410 -2.203 -3.282 1.00 0.00 C ATOM 219 CD ARG A 12 4.856 -1.412 -4.470 1.00 0.00 C ATOM 220 NE ARG A 12 5.502 -2.017 -5.668 1.00 0.00 N ATOM 221 CZ ARG A 12 6.384 -1.336 -6.347 1.00 0.00 C ATOM 222 NH1 ARG A 12 5.994 -0.510 -7.279 1.00 0.00 N ATOM 223 NH2 ARG A 12 7.656 -1.479 -6.092 1.00 0.00 N ATOM 0 H ARG A 12 5.336 -2.149 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 12 7.515 -3.343 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.351 -0.514 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.359 -1.292 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.678 -3.212 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.647 -2.302 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.770 -1.490 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.095 -0.352 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 12 5.255 -2.963 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.000 -0.397 -7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.683 0.022 -7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.961 -2.123 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.346 -0.947 -6.623 1.00 0.00 H new ATOM 237 N ARG A 13 8.530 -0.621 -0.454 1.00 0.00 N ATOM 238 CA ARG A 13 9.775 0.044 0.025 1.00 0.00 C ATOM 239 C ARG A 13 10.541 -0.886 0.971 1.00 0.00 C ATOM 240 O ARG A 13 11.746 -1.008 0.884 1.00 0.00 O ATOM 241 CB ARG A 13 9.293 1.290 0.770 1.00 0.00 C ATOM 242 CG ARG A 13 10.487 2.192 1.086 1.00 0.00 C ATOM 243 CD ARG A 13 10.076 3.659 0.920 1.00 0.00 C ATOM 244 NE ARG A 13 10.025 3.880 -0.554 1.00 0.00 N ATOM 245 CZ ARG A 13 11.059 4.378 -1.176 1.00 0.00 C ATOM 246 NH1 ARG A 13 11.645 5.447 -0.712 1.00 0.00 N ATOM 247 NH2 ARG A 13 11.506 3.808 -2.261 1.00 0.00 N ATOM 0 H ARG A 13 7.661 -0.162 -0.181 1.00 0.00 H new ATOM 0 HA ARG A 13 10.453 0.293 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.566 1.831 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.788 1.002 1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.833 2.013 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.319 1.959 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.108 3.853 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.795 4.327 1.395 1.00 0.00 H new ATOM 0 HE ARG A 13 9.182 3.642 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.295 5.893 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.453 5.837 -1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.047 2.972 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.314 4.198 -2.746 1.00 0.00 H new HETATM 261 N NH2 A 14 9.884 -1.554 1.879 1.00 0.00 N TER 264 NH2 A 14