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+ -136:sc= -0.0443 (180deg=-0.565) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.607 7.007 4.168 1.00 0.00 N ATOM 2 CA ILE A 1 -11.766 5.933 5.190 1.00 0.00 C ATOM 3 C ILE A 1 -10.606 4.937 5.097 1.00 0.00 C ATOM 4 O ILE A 1 -10.785 3.793 4.732 1.00 0.00 O ATOM 5 CB ILE A 1 -13.088 5.249 4.844 1.00 0.00 C ATOM 6 CG1 ILE A 1 -14.243 6.220 5.097 1.00 0.00 C ATOM 7 CG2 ILE A 1 -13.266 4.007 5.719 1.00 0.00 C ATOM 8 CD1 ILE A 1 -15.098 6.340 3.834 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.812 7.931 4.600 1.00 0.00 H new ATOM 0 H2 ILE A 1 -10.631 7.002 3.808 1.00 0.00 H new ATOM 0 H3 ILE A 1 -12.267 6.839 3.382 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.765 6.327 6.206 1.00 0.00 H new ATOM 0 HB ILE A 1 -13.081 4.955 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -14.853 5.867 5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -13.854 7.198 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -14.209 3.520 5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -12.443 3.315 5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -13.273 4.300 6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -15.920 7.032 4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -14.485 6.713 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -15.499 5.361 3.572 1.00 0.00 H new ATOM 22 N LEU A 2 -9.418 5.366 5.425 1.00 0.00 N ATOM 23 CA LEU A 2 -8.247 4.443 5.356 1.00 0.00 C ATOM 24 C LEU A 2 -8.300 3.438 6.511 1.00 0.00 C ATOM 25 O LEU A 2 -8.770 3.742 7.589 1.00 0.00 O ATOM 26 CB LEU A 2 -7.023 5.350 5.487 1.00 0.00 C ATOM 27 CG LEU A 2 -6.207 5.294 4.193 1.00 0.00 C ATOM 28 CD1 LEU A 2 -5.650 3.882 4.000 1.00 0.00 C ATOM 29 CD2 LEU A 2 -7.106 5.651 3.008 1.00 0.00 C ATOM 0 H LEU A 2 -9.207 6.314 5.737 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.228 3.864 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.336 6.375 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.410 5.032 6.330 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.383 6.005 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.069 3.843 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.010 3.625 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.474 3.171 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.526 5.611 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.930 4.940 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.504 6.657 3.143 1.00 0.00 H new ATOM 41 N ALA A 3 -7.823 2.242 6.294 1.00 0.00 N ATOM 42 CA ALA A 3 -7.846 1.216 7.375 1.00 0.00 C ATOM 43 C ALA A 3 -7.512 -0.160 6.790 1.00 0.00 C ATOM 44 O ALA A 3 -7.977 -0.519 5.727 1.00 0.00 O ATOM 45 CB ALA A 3 -9.275 1.236 7.918 1.00 0.00 C ATOM 0 H ALA A 3 -7.417 1.931 5.411 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.116 1.421 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.370 0.504 8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.504 2.229 8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.972 0.989 7.117 1.00 0.00 H new ATOM 51 N TRP A 4 -6.697 -0.925 7.470 1.00 0.00 N ATOM 52 CA TRP A 4 -6.309 -2.280 6.958 1.00 0.00 C ATOM 53 C TRP A 4 -5.299 -2.135 5.821 1.00 0.00 C ATOM 54 O TRP A 4 -4.243 -2.736 5.834 1.00 0.00 O ATOM 55 CB TRP A 4 -7.601 -2.929 6.460 1.00 0.00 C ATOM 56 CG TRP A 4 -7.662 -4.340 6.950 1.00 0.00 C ATOM 57 CD1 TRP A 4 -8.642 -4.849 7.731 1.00 0.00 C ATOM 58 CD2 TRP A 4 -6.722 -5.428 6.711 1.00 0.00 C ATOM 59 NE1 TRP A 4 -8.365 -6.181 7.983 1.00 0.00 N ATOM 60 CE2 TRP A 4 -7.192 -6.584 7.376 1.00 0.00 C ATOM 61 CE3 TRP A 4 -5.519 -5.522 5.987 1.00 0.00 C ATOM 62 CZ2 TRP A 4 -6.495 -7.791 7.326 1.00 0.00 C ATOM 63 CZ3 TRP A 4 -4.815 -6.735 5.934 1.00 0.00 C ATOM 64 CH2 TRP A 4 -5.302 -7.868 6.602 1.00 0.00 C ATOM 0 H TRP A 4 -6.279 -0.670 8.365 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.840 -2.889 7.731 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.465 -2.369 6.818 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.637 -2.908 5.371 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.500 -4.305 8.098 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.955 -6.791 8.548 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.135 -4.656 5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.874 -8.660 7.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.893 -6.796 5.375 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.756 -8.799 6.557 1.00 0.00 H new ATOM 75 N LYS A 5 -5.605 -1.325 4.850 1.00 0.00 N ATOM 76 CA LYS A 5 -4.653 -1.120 3.722 1.00 0.00 C ATOM 77 C LYS A 5 -3.507 -0.213 4.181 1.00 0.00 C ATOM 78 O LYS A 5 -2.604 0.097 3.429 1.00 0.00 O ATOM 79 CB LYS A 5 -5.473 -0.441 2.624 1.00 0.00 C ATOM 80 CG LYS A 5 -6.398 -1.469 1.968 1.00 0.00 C ATOM 81 CD LYS A 5 -5.649 -2.187 0.845 1.00 0.00 C ATOM 82 CE LYS A 5 -6.150 -3.629 0.735 1.00 0.00 C ATOM 83 NZ LYS A 5 -5.212 -4.427 1.574 1.00 0.00 N ATOM 0 H LYS A 5 -6.474 -0.794 4.787 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.210 -2.052 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.060 0.375 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.810 -0.004 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.741 -2.190 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.284 -0.975 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.802 -1.665 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.577 -2.178 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.175 -3.719 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.143 -3.972 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.490 -5.429 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.245 -4.327 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.245 -4.083 2.555 1.00 0.00 H new ATOM 97 N TRP A 6 -3.536 0.205 5.419 1.00 0.00 N ATOM 98 CA TRP A 6 -2.445 1.085 5.941 1.00 0.00 C ATOM 99 C TRP A 6 -1.308 0.223 6.495 1.00 0.00 C ATOM 100 O TRP A 6 -0.154 0.409 6.163 1.00 0.00 O ATOM 101 CB TRP A 6 -3.074 1.922 7.066 1.00 0.00 C ATOM 102 CG TRP A 6 -2.866 3.374 6.784 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.843 4.314 6.762 1.00 0.00 C ATOM 104 CD2 TRP A 6 -1.622 4.070 6.482 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.275 5.540 6.467 1.00 0.00 N ATOM 106 CE2 TRP A 6 -1.909 5.442 6.286 1.00 0.00 C ATOM 107 CE3 TRP A 6 -0.286 3.647 6.361 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -0.905 6.362 5.980 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.727 4.571 6.055 1.00 0.00 C ATOM 110 CH2 TRP A 6 0.418 5.925 5.864 1.00 0.00 C ATOM 0 H TRP A 6 -4.267 -0.024 6.092 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.030 1.722 5.160 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.139 1.705 7.143 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.625 1.659 8.024 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.892 4.135 6.945 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.801 6.411 6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.038 2.606 6.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.148 7.404 5.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.750 4.236 5.966 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.201 6.630 5.627 1.00 0.00 H new ATOM 121 N ALA A 7 -1.628 -0.721 7.338 1.00 0.00 N ATOM 122 CA ALA A 7 -0.572 -1.599 7.915 1.00 0.00 C ATOM 123 C ALA A 7 0.296 -2.189 6.800 1.00 0.00 C ATOM 124 O ALA A 7 1.429 -2.569 7.019 1.00 0.00 O ATOM 125 CB ALA A 7 -1.338 -2.705 8.643 1.00 0.00 C ATOM 0 H ALA A 7 -2.577 -0.922 7.652 1.00 0.00 H new ATOM 0 HA ALA A 7 0.099 -1.058 8.582 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.631 -3.398 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.965 -2.264 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.965 -3.242 7.932 1.00 0.00 H new ATOM 131 N TRP A 8 -0.227 -2.270 5.607 1.00 0.00 N ATOM 132 CA TRP A 8 0.572 -2.837 4.483 1.00 0.00 C ATOM 133 C TRP A 8 1.830 -2.006 4.257 1.00 0.00 C ATOM 134 O TRP A 8 2.892 -2.307 4.762 1.00 0.00 O ATOM 135 CB TRP A 8 -0.338 -2.745 3.255 1.00 0.00 C ATOM 136 CG TRP A 8 0.484 -2.853 1.998 1.00 0.00 C ATOM 137 CD1 TRP A 8 0.595 -1.898 1.045 1.00 0.00 C ATOM 138 CD2 TRP A 8 1.313 -3.962 1.552 1.00 0.00 C ATOM 139 NE1 TRP A 8 1.415 -2.364 0.033 1.00 0.00 N ATOM 140 CE2 TRP A 8 1.884 -3.632 0.302 1.00 0.00 C ATOM 141 CE3 TRP A 8 1.611 -5.210 2.105 1.00 0.00 C ATOM 142 CZ2 TRP A 8 2.722 -4.518 -0.376 1.00 0.00 C ATOM 143 CZ3 TRP A 8 2.455 -6.108 1.432 1.00 0.00 C ATOM 144 CH2 TRP A 8 3.007 -5.764 0.189 1.00 0.00 C ATOM 0 H TRP A 8 -1.170 -1.969 5.362 1.00 0.00 H new ATOM 0 HA TRP A 8 0.889 -3.860 4.687 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.082 -3.541 3.283 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.881 -1.800 3.264 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.120 -0.928 1.071 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.644 -1.835 -0.808 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.188 -5.487 3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 3.147 -4.243 -1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.680 -7.068 1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.650 -6.460 -0.330 1.00 0.00 H new ATOM 155 N TRP A 9 1.712 -0.969 3.478 1.00 0.00 N ATOM 156 CA TRP A 9 2.890 -0.122 3.185 1.00 0.00 C ATOM 157 C TRP A 9 3.727 0.103 4.451 1.00 0.00 C ATOM 158 O TRP A 9 4.920 0.330 4.380 1.00 0.00 O ATOM 159 CB TRP A 9 2.313 1.189 2.652 1.00 0.00 C ATOM 160 CG TRP A 9 3.417 2.022 2.092 1.00 0.00 C ATOM 161 CD1 TRP A 9 3.787 2.067 0.792 1.00 0.00 C ATOM 162 CD2 TRP A 9 4.299 2.926 2.800 1.00 0.00 C ATOM 163 NE1 TRP A 9 4.847 2.950 0.663 1.00 0.00 N ATOM 164 CE2 TRP A 9 5.198 3.505 1.879 1.00 0.00 C ATOM 165 CE3 TRP A 9 4.398 3.289 4.147 1.00 0.00 C ATOM 166 CZ2 TRP A 9 6.169 4.422 2.286 1.00 0.00 C ATOM 167 CZ3 TRP A 9 5.370 4.210 4.567 1.00 0.00 C ATOM 168 CH2 TRP A 9 6.256 4.776 3.637 1.00 0.00 C ATOM 0 H TRP A 9 0.844 -0.673 3.031 1.00 0.00 H new ATOM 0 HA TRP A 9 3.562 -0.585 2.463 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.569 0.986 1.882 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.805 1.728 3.452 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.332 1.508 -0.012 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.311 3.164 -0.220 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.721 2.857 4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.847 4.854 1.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.437 4.484 5.609 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.004 5.484 3.964 1.00 0.00 H new ATOM 179 N ALA A 10 3.124 0.028 5.608 1.00 0.00 N ATOM 180 CA ALA A 10 3.905 0.222 6.867 1.00 0.00 C ATOM 181 C ALA A 10 4.894 -0.931 7.044 1.00 0.00 C ATOM 182 O ALA A 10 5.984 -0.755 7.551 1.00 0.00 O ATOM 183 CB ALA A 10 2.865 0.221 7.986 1.00 0.00 C ATOM 0 H ALA A 10 2.129 -0.158 5.737 1.00 0.00 H new ATOM 0 HA ALA A 10 4.486 1.144 6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.363 0.359 8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.156 1.033 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.333 -0.730 7.987 1.00 0.00 H new ATOM 189 N TRP A 11 4.528 -2.108 6.618 1.00 0.00 N ATOM 190 CA TRP A 11 5.453 -3.269 6.748 1.00 0.00 C ATOM 191 C TRP A 11 6.645 -3.080 5.804 1.00 0.00 C ATOM 192 O TRP A 11 7.785 -3.300 6.160 1.00 0.00 O ATOM 193 CB TRP A 11 4.610 -4.495 6.337 1.00 0.00 C ATOM 194 CG TRP A 11 4.959 -4.931 4.939 1.00 0.00 C ATOM 195 CD1 TRP A 11 4.232 -4.664 3.831 1.00 0.00 C ATOM 196 CD2 TRP A 11 6.123 -5.684 4.490 1.00 0.00 C ATOM 197 NE1 TRP A 11 4.872 -5.214 2.734 1.00 0.00 N ATOM 198 CE2 TRP A 11 6.040 -5.855 3.090 1.00 0.00 C ATOM 199 CE3 TRP A 11 7.227 -6.233 5.159 1.00 0.00 C ATOM 200 CZ2 TRP A 11 7.020 -6.546 2.377 1.00 0.00 C ATOM 201 CZ3 TRP A 11 8.218 -6.930 4.447 1.00 0.00 C ATOM 202 CH2 TRP A 11 8.114 -7.087 3.058 1.00 0.00 C ATOM 0 H TRP A 11 3.628 -2.316 6.185 1.00 0.00 H new ATOM 0 HA TRP A 11 5.857 -3.381 7.754 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.785 -5.314 7.034 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.549 -4.250 6.394 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.304 -4.112 3.806 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.522 -5.153 1.778 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.316 -6.119 6.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.934 -6.662 1.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.064 -7.347 4.973 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.877 -7.625 2.515 1.00 0.00 H new ATOM 213 N ARG A 12 6.365 -2.690 4.594 1.00 0.00 N ATOM 214 CA ARG A 12 7.450 -2.499 3.593 1.00 0.00 C ATOM 215 C ARG A 12 8.605 -1.705 4.209 1.00 0.00 C ATOM 216 O ARG A 12 9.747 -1.846 3.818 1.00 0.00 O ATOM 217 CB ARG A 12 6.806 -1.715 2.447 1.00 0.00 C ATOM 218 CG ARG A 12 5.668 -2.537 1.822 1.00 0.00 C ATOM 219 CD ARG A 12 5.048 -1.747 0.666 1.00 0.00 C ATOM 220 NE ARG A 12 5.990 -1.931 -0.472 1.00 0.00 N ATOM 221 CZ ARG A 12 6.629 -0.904 -0.962 1.00 0.00 C ATOM 222 NH1 ARG A 12 6.040 0.260 -1.031 1.00 0.00 N ATOM 223 NH2 ARG A 12 7.856 -1.039 -1.385 1.00 0.00 N ATOM 0 H ARG A 12 5.424 -2.494 4.252 1.00 0.00 H new ATOM 0 HA ARG A 12 7.865 -3.447 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.419 -0.766 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.555 -1.481 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.050 -3.492 1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.910 -2.760 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.054 -2.121 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.938 -0.693 0.922 1.00 0.00 H new ATOM 0 HE ARG A 12 6.136 -2.859 -0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.080 0.366 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.540 1.063 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.316 -1.948 -1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.355 -0.236 -1.768 1.00 0.00 H new ATOM 237 N ARG A 13 8.317 -0.870 5.171 1.00 0.00 N ATOM 238 CA ARG A 13 9.398 -0.068 5.812 1.00 0.00 C ATOM 239 C ARG A 13 9.933 -0.794 7.050 1.00 0.00 C ATOM 240 O ARG A 13 11.079 -1.197 7.090 1.00 0.00 O ATOM 241 CB ARG A 13 8.730 1.248 6.210 1.00 0.00 C ATOM 242 CG ARG A 13 9.772 2.369 6.216 1.00 0.00 C ATOM 243 CD ARG A 13 9.350 3.466 5.232 1.00 0.00 C ATOM 244 NE ARG A 13 9.732 2.943 3.884 1.00 0.00 N ATOM 245 CZ ARG A 13 9.139 1.885 3.407 1.00 0.00 C ATOM 246 NH1 ARG A 13 7.841 1.866 3.273 1.00 0.00 N ATOM 247 NH2 ARG A 13 9.845 0.842 3.060 1.00 0.00 N ATOM 0 H ARG A 13 7.380 -0.709 5.540 1.00 0.00 H new ATOM 0 HA ARG A 13 10.246 0.090 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.928 1.487 5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.276 1.154 7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.869 2.784 7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.749 1.973 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.279 3.659 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.856 4.407 5.449 1.00 0.00 H new ATOM 0 HE ARG A 13 10.455 3.413 3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.289 2.680 3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.379 1.037 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.860 0.856 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.381 0.014 2.687 1.00 0.00 H new HETATM 261 N NH2 A 14 9.143 -0.980 8.072 1.00 0.00 N TER 264 NH2 A 14