USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 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+ -148:sc= -0.501 (180deg=-2.69!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -12.892 5.146 2.866 1.00 0.00 N ATOM 2 CA ILE A 1 -12.635 3.760 2.373 1.00 0.00 C ATOM 3 C ILE A 1 -12.227 2.855 3.538 1.00 0.00 C ATOM 4 O ILE A 1 -11.954 3.314 4.629 1.00 0.00 O ATOM 5 CB ILE A 1 -11.488 3.896 1.371 1.00 0.00 C ATOM 6 CG1 ILE A 1 -11.852 4.944 0.319 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.242 2.550 0.687 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.586 5.390 -0.414 1.00 0.00 C ATOM 0 H1 ILE A 1 -13.634 5.588 2.287 1.00 0.00 H new ATOM 0 H2 ILE A 1 -13.202 5.110 3.858 1.00 0.00 H new ATOM 0 H3 ILE A 1 -12.019 5.707 2.797 1.00 0.00 H new ATOM 0 HA ILE A 1 -13.519 3.314 1.917 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.584 4.206 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -12.569 4.530 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -12.331 5.800 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.424 2.649 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.981 1.803 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -12.145 2.238 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.844 6.137 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.884 5.821 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.126 4.530 -0.901 1.00 0.00 H new ATOM 22 N LEU A 2 -12.185 1.569 3.314 1.00 0.00 N ATOM 23 CA LEU A 2 -11.797 0.634 4.406 1.00 0.00 C ATOM 24 C LEU A 2 -10.438 -0.003 4.104 1.00 0.00 C ATOM 25 O LEU A 2 -10.205 -0.478 3.010 1.00 0.00 O ATOM 26 CB LEU A 2 -12.893 -0.434 4.417 1.00 0.00 C ATOM 27 CG LEU A 2 -13.913 -0.114 5.510 1.00 0.00 C ATOM 28 CD1 LEU A 2 -15.071 -1.110 5.436 1.00 0.00 C ATOM 29 CD2 LEU A 2 -13.239 -0.218 6.881 1.00 0.00 C ATOM 0 H LEU A 2 -12.403 1.127 2.421 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.704 1.140 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.386 -0.473 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.455 -1.417 4.591 1.00 0.00 H new ATOM 0 HG LEU A 2 -14.294 0.897 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -15.798 -0.881 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -15.551 -1.038 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.691 -2.121 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.965 0.010 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.858 -1.229 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.413 0.491 6.935 1.00 0.00 H new ATOM 41 N PRO A 3 -9.584 0.002 5.091 1.00 0.00 N ATOM 42 CA PRO A 3 -8.232 -0.589 4.932 1.00 0.00 C ATOM 43 C PRO A 3 -8.321 -2.116 4.901 1.00 0.00 C ATOM 44 O PRO A 3 -8.180 -2.777 5.911 1.00 0.00 O ATOM 45 CB PRO A 3 -7.488 -0.119 6.178 1.00 0.00 C ATOM 46 CG PRO A 3 -8.555 0.145 7.190 1.00 0.00 C ATOM 47 CD PRO A 3 -9.793 0.554 6.435 1.00 0.00 C ATOM 0 HA PRO A 3 -7.739 -0.290 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.789 -0.878 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.906 0.780 5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.746 -0.745 7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.246 0.932 7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.694 0.151 6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.905 1.638 6.409 1.00 0.00 H new ATOM 55 N TRP A 4 -8.562 -2.684 3.750 1.00 0.00 N ATOM 56 CA TRP A 4 -8.666 -4.166 3.664 1.00 0.00 C ATOM 57 C TRP A 4 -8.128 -4.661 2.326 1.00 0.00 C ATOM 58 O TRP A 4 -7.114 -5.325 2.249 1.00 0.00 O ATOM 59 CB TRP A 4 -10.160 -4.454 3.786 1.00 0.00 C ATOM 60 CG TRP A 4 -10.405 -5.339 4.961 1.00 0.00 C ATOM 61 CD1 TRP A 4 -10.166 -6.670 5.012 1.00 0.00 C ATOM 62 CD2 TRP A 4 -10.935 -4.969 6.255 1.00 0.00 C ATOM 63 NE1 TRP A 4 -10.521 -7.136 6.268 1.00 0.00 N ATOM 64 CE2 TRP A 4 -11.002 -6.121 7.069 1.00 0.00 C ATOM 65 CE3 TRP A 4 -11.360 -3.748 6.787 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -11.477 -6.058 8.380 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -11.840 -3.675 8.104 1.00 0.00 C ATOM 68 CH2 TRP A 4 -11.899 -4.829 8.902 1.00 0.00 C ATOM 0 H TRP A 4 -8.691 -2.186 2.869 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.085 -4.670 4.437 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -10.712 -3.521 3.899 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -10.524 -4.931 2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.765 -7.269 4.208 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.437 -8.109 6.563 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -11.319 -2.855 6.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -11.519 -6.950 8.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -12.166 -2.727 8.506 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -12.269 -4.769 9.915 1.00 0.00 H new ATOM 79 N LYS A 5 -8.811 -4.339 1.281 1.00 0.00 N ATOM 80 CA LYS A 5 -8.372 -4.778 -0.073 1.00 0.00 C ATOM 81 C LYS A 5 -7.537 -3.685 -0.747 1.00 0.00 C ATOM 82 O LYS A 5 -7.825 -3.264 -1.850 1.00 0.00 O ATOM 83 CB LYS A 5 -9.667 -5.017 -0.848 1.00 0.00 C ATOM 84 CG LYS A 5 -10.245 -6.382 -0.467 1.00 0.00 C ATOM 85 CD LYS A 5 -9.447 -7.483 -1.167 1.00 0.00 C ATOM 86 CE LYS A 5 -9.831 -8.844 -0.582 1.00 0.00 C ATOM 87 NZ LYS A 5 -8.918 -9.037 0.581 1.00 0.00 N ATOM 0 H LYS A 5 -9.667 -3.784 1.297 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.747 -5.670 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.387 -4.230 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.474 -4.978 -1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.204 -6.518 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.295 -6.438 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.647 -7.466 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.379 -7.309 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.875 -8.859 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.706 -9.639 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.122 -9.951 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.931 -9.025 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.064 -8.270 1.268 1.00 0.00 H new ATOM 101 N TRP A 6 -6.501 -3.225 -0.097 1.00 0.00 N ATOM 102 CA TRP A 6 -5.653 -2.166 -0.712 1.00 0.00 C ATOM 103 C TRP A 6 -4.211 -2.652 -0.862 1.00 0.00 C ATOM 104 O TRP A 6 -3.717 -3.401 -0.043 1.00 0.00 O ATOM 105 CB TRP A 6 -5.727 -0.981 0.236 1.00 0.00 C ATOM 106 CG TRP A 6 -4.860 0.102 -0.289 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.525 0.032 -0.382 1.00 0.00 C ATOM 108 CD2 TRP A 6 -5.245 1.398 -0.809 1.00 0.00 C ATOM 109 NE1 TRP A 6 -3.050 1.217 -0.916 1.00 0.00 N ATOM 110 CE2 TRP A 6 -4.079 2.094 -1.197 1.00 0.00 C ATOM 111 CE3 TRP A 6 -6.483 2.025 -0.972 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -4.143 3.381 -1.732 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -6.557 3.321 -1.512 1.00 0.00 C ATOM 114 CH2 TRP A 6 -5.388 3.997 -1.891 1.00 0.00 C ATOM 0 H TRP A 6 -6.207 -3.536 0.829 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.999 -1.901 -1.711 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.756 -0.632 0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.402 -1.275 1.234 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.919 -0.812 -0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.064 1.417 -1.081 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -7.388 1.511 -0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.239 3.897 -2.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -7.518 3.798 -1.635 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.450 4.992 -2.305 1.00 0.00 H new ATOM 125 N PRO A 7 -3.587 -2.211 -1.923 1.00 0.00 N ATOM 126 CA PRO A 7 -2.196 -2.606 -2.213 1.00 0.00 C ATOM 127 C PRO A 7 -1.203 -1.635 -1.565 1.00 0.00 C ATOM 128 O PRO A 7 -1.282 -0.436 -1.748 1.00 0.00 O ATOM 129 CB PRO A 7 -2.127 -2.514 -3.734 1.00 0.00 C ATOM 130 CG PRO A 7 -3.195 -1.531 -4.135 1.00 0.00 C ATOM 131 CD PRO A 7 -4.114 -1.315 -2.953 1.00 0.00 C ATOM 0 HA PRO A 7 -1.940 -3.592 -1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.143 -2.177 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.300 -3.488 -4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.745 -0.587 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.758 -1.909 -4.988 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.101 -0.276 -2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.147 -1.557 -3.202 1.00 0.00 H new ATOM 139 N TRP A 8 -0.261 -2.147 -0.818 1.00 0.00 N ATOM 140 CA TRP A 8 0.747 -1.262 -0.165 1.00 0.00 C ATOM 141 C TRP A 8 1.728 -2.101 0.660 1.00 0.00 C ATOM 142 O TRP A 8 1.430 -2.513 1.764 1.00 0.00 O ATOM 143 CB TRP A 8 -0.062 -0.332 0.744 1.00 0.00 C ATOM 144 CG TRP A 8 0.652 0.971 0.952 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.443 1.622 0.057 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.622 1.795 2.139 1.00 0.00 C ATOM 147 NE1 TRP A 8 1.908 2.786 0.644 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.427 2.937 1.930 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.021 1.649 3.369 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.587 3.908 2.921 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.132 2.619 4.374 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.936 3.748 4.150 1.00 0.00 C ATOM 0 H TRP A 8 -0.146 -3.143 -0.632 1.00 0.00 H new ATOM 0 HA TRP A 8 1.337 -0.703 -0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.041 -0.148 0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.232 -0.815 1.706 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.670 1.287 -0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.530 3.451 0.183 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.641 0.784 3.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.207 4.774 2.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.371 2.496 5.322 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.052 4.492 4.924 1.00 0.00 H new ATOM 163 N TRP A 9 2.894 -2.355 0.133 1.00 0.00 N ATOM 164 CA TRP A 9 3.894 -3.168 0.881 1.00 0.00 C ATOM 165 C TRP A 9 5.038 -2.270 1.364 1.00 0.00 C ATOM 166 O TRP A 9 6.116 -2.279 0.802 1.00 0.00 O ATOM 167 CB TRP A 9 4.395 -4.192 -0.139 1.00 0.00 C ATOM 168 CG TRP A 9 5.392 -5.133 0.469 1.00 0.00 C ATOM 169 CD1 TRP A 9 6.087 -6.062 -0.228 1.00 0.00 C ATOM 170 CD2 TRP A 9 5.823 -5.264 1.856 1.00 0.00 C ATOM 171 NE1 TRP A 9 6.915 -6.750 0.640 1.00 0.00 N ATOM 172 CE2 TRP A 9 6.787 -6.295 1.936 1.00 0.00 C ATOM 173 CE3 TRP A 9 5.472 -4.596 3.037 1.00 0.00 C ATOM 174 CZ2 TRP A 9 7.383 -6.648 3.147 1.00 0.00 C ATOM 175 CZ3 TRP A 9 6.068 -4.946 4.259 1.00 0.00 C ATOM 176 CH2 TRP A 9 7.023 -5.971 4.313 1.00 0.00 C ATOM 0 H TRP A 9 3.198 -2.034 -0.786 1.00 0.00 H new ATOM 0 HA TRP A 9 3.476 -3.647 1.766 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.551 -4.759 -0.531 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.850 -3.673 -0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.008 -6.238 -1.291 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.543 -7.502 0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.737 -3.805 3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.117 -7.439 3.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.789 -4.423 5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.479 -6.236 5.255 1.00 0.00 H new ATOM 187 N PRO A 10 4.757 -1.525 2.399 1.00 0.00 N ATOM 188 CA PRO A 10 5.769 -0.606 2.976 1.00 0.00 C ATOM 189 C PRO A 10 6.851 -1.401 3.722 1.00 0.00 C ATOM 190 O PRO A 10 6.551 -2.202 4.585 1.00 0.00 O ATOM 191 CB PRO A 10 4.960 0.254 3.944 1.00 0.00 C ATOM 192 CG PRO A 10 3.772 -0.579 4.303 1.00 0.00 C ATOM 193 CD PRO A 10 3.480 -1.464 3.119 1.00 0.00 C ATOM 0 HA PRO A 10 6.292 -0.015 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.544 0.509 4.828 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.658 1.193 3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.975 -1.178 5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.914 0.052 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.151 -2.455 3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.689 -1.048 2.495 1.00 0.00 H new ATOM 201 N TRP A 11 8.099 -1.191 3.380 1.00 0.00 N ATOM 202 CA TRP A 11 9.217 -1.941 4.053 1.00 0.00 C ATOM 203 C TRP A 11 8.888 -2.221 5.518 1.00 0.00 C ATOM 204 O TRP A 11 8.704 -3.352 5.923 1.00 0.00 O ATOM 205 CB TRP A 11 10.489 -1.078 3.962 1.00 0.00 C ATOM 206 CG TRP A 11 10.205 0.256 3.371 1.00 0.00 C ATOM 207 CD1 TRP A 11 9.464 1.225 3.931 1.00 0.00 C ATOM 208 CD2 TRP A 11 10.637 0.748 2.095 1.00 0.00 C ATOM 209 NE1 TRP A 11 9.435 2.313 3.070 1.00 0.00 N ATOM 210 CE2 TRP A 11 10.151 2.058 1.915 1.00 0.00 C ATOM 211 CE3 TRP A 11 11.409 0.172 1.096 1.00 0.00 C ATOM 212 CZ2 TRP A 11 10.432 2.783 0.756 1.00 0.00 C ATOM 213 CZ3 TRP A 11 11.700 0.886 -0.079 1.00 0.00 C ATOM 214 CH2 TRP A 11 11.212 2.192 -0.248 1.00 0.00 C ATOM 0 H TRP A 11 8.397 -0.531 2.662 1.00 0.00 H new ATOM 0 HA TRP A 11 9.362 -2.901 3.557 1.00 0.00 H new ATOM 0 HB2 TRP A 11 10.916 -0.952 4.957 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.236 -1.593 3.358 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.973 1.168 4.891 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.948 3.188 3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.789 -0.831 1.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.053 3.787 0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 12.300 0.430 -0.853 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.437 2.741 -1.151 1.00 0.00 H new ATOM 225 N ARG A 12 8.823 -1.195 6.307 1.00 0.00 N ATOM 226 CA ARG A 12 8.514 -1.364 7.760 1.00 0.00 C ATOM 227 C ARG A 12 7.461 -2.456 7.969 1.00 0.00 C ATOM 228 O ARG A 12 6.486 -2.540 7.248 1.00 0.00 O ATOM 229 CB ARG A 12 7.973 -0.015 8.225 1.00 0.00 C ATOM 230 CG ARG A 12 8.686 0.400 9.512 1.00 0.00 C ATOM 231 CD ARG A 12 7.690 0.379 10.675 1.00 0.00 C ATOM 232 NE ARG A 12 7.583 -1.055 11.065 1.00 0.00 N ATOM 233 CZ ARG A 12 7.930 -1.432 12.266 1.00 0.00 C ATOM 234 NH1 ARG A 12 9.019 -0.961 12.808 1.00 0.00 N ATOM 235 NH2 ARG A 12 7.187 -2.279 12.925 1.00 0.00 N ATOM 0 H ARG A 12 8.972 -0.230 6.011 1.00 0.00 H new ATOM 0 HA ARG A 12 9.398 -1.665 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.127 0.737 7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.899 -0.081 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.515 -0.278 9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.110 1.398 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.042 0.989 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.722 0.779 10.373 1.00 0.00 H new ATOM 0 HE ARG A 12 7.239 -1.742 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.599 -0.298 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.290 -1.255 13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.335 -2.647 12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.459 -2.573 13.863 1.00 0.00 H new ATOM 249 N ARG A 13 7.652 -3.289 8.955 1.00 0.00 N ATOM 250 CA ARG A 13 6.664 -4.374 9.219 1.00 0.00 C ATOM 251 C ARG A 13 5.720 -3.971 10.356 1.00 0.00 C ATOM 252 O ARG A 13 5.775 -4.523 11.437 1.00 0.00 O ATOM 253 CB ARG A 13 7.509 -5.580 9.625 1.00 0.00 C ATOM 254 CG ARG A 13 7.199 -6.758 8.703 1.00 0.00 C ATOM 255 CD ARG A 13 6.568 -7.891 9.516 1.00 0.00 C ATOM 256 NE ARG A 13 7.550 -9.009 9.442 1.00 0.00 N ATOM 257 CZ ARG A 13 7.384 -9.967 8.571 1.00 0.00 C ATOM 258 NH1 ARG A 13 7.823 -9.822 7.351 1.00 0.00 N ATOM 259 NH2 ARG A 13 6.777 -11.068 8.920 1.00 0.00 N ATOM 0 H ARG A 13 8.450 -3.265 9.590 1.00 0.00 H new ATOM 0 HA ARG A 13 6.038 -4.584 8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.568 -5.330 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.300 -5.851 10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.521 -6.444 7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.113 -7.107 8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.393 -7.587 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.603 -8.184 9.102 1.00 0.00 H new ATOM 0 HE ARG A 13 8.352 -9.026 10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.296 -8.960 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.694 -10.570 6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.432 -11.180 9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.647 -11.817 8.239 1.00 0.00 H new HETATM 273 N NH2 A 14 4.847 -3.022 10.155 1.00 0.00 N TER 276 NH2 A 14