USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 145 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+ -143:sc= -0.0785 (180deg=-0.723) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -10.441 7.632 -3.121 1.00 0.00 N ATOM 2 CA ILE A 1 -10.674 6.162 -3.023 1.00 0.00 C ATOM 3 C ILE A 1 -9.429 5.464 -2.468 1.00 0.00 C ATOM 4 O ILE A 1 -8.344 6.010 -2.474 1.00 0.00 O ATOM 5 CB ILE A 1 -10.948 5.710 -4.458 1.00 0.00 C ATOM 6 CG1 ILE A 1 -12.208 6.404 -4.979 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.153 4.194 -4.485 1.00 0.00 C ATOM 8 CD1 ILE A 1 -12.631 5.768 -6.304 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.316 8.139 -2.879 1.00 0.00 H new ATOM 0 H2 ILE A 1 -9.686 7.909 -2.461 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.158 7.875 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.499 5.918 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.100 5.973 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -13.012 6.317 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -12.018 7.468 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -11.348 3.871 -5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.256 3.699 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -12.001 3.930 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -13.529 6.263 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -11.828 5.878 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -12.838 4.709 -6.150 1.00 0.00 H new ATOM 22 N LEU A 2 -9.578 4.261 -1.987 1.00 0.00 N ATOM 23 CA LEU A 2 -8.405 3.527 -1.431 1.00 0.00 C ATOM 24 C LEU A 2 -8.863 2.230 -0.761 1.00 0.00 C ATOM 25 O LEU A 2 -9.391 2.236 0.333 1.00 0.00 O ATOM 26 CB LEU A 2 -7.791 4.477 -0.403 1.00 0.00 C ATOM 27 CG LEU A 2 -6.348 4.795 -0.800 1.00 0.00 C ATOM 28 CD1 LEU A 2 -6.203 6.298 -1.040 1.00 0.00 C ATOM 29 CD2 LEU A 2 -5.406 4.369 0.328 1.00 0.00 C ATOM 0 H LEU A 2 -10.462 3.753 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.688 3.248 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.375 5.396 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.815 4.023 0.588 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.095 4.255 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.175 6.524 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.875 6.605 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.455 6.838 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.377 4.595 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.661 4.911 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.508 3.298 0.502 1.00 0.00 H new ATOM 41 N LYS A 3 -8.663 1.120 -1.414 1.00 0.00 N ATOM 42 CA LYS A 3 -9.083 -0.182 -0.821 1.00 0.00 C ATOM 43 C LYS A 3 -8.716 -1.333 -1.762 1.00 0.00 C ATOM 44 O LYS A 3 -9.572 -2.001 -2.307 1.00 0.00 O ATOM 45 CB LYS A 3 -10.601 -0.077 -0.670 1.00 0.00 C ATOM 46 CG LYS A 3 -11.211 0.444 -1.973 1.00 0.00 C ATOM 47 CD LYS A 3 -12.699 0.093 -2.017 1.00 0.00 C ATOM 48 CE LYS A 3 -13.168 0.037 -3.472 1.00 0.00 C ATOM 49 NZ LYS A 3 -14.437 -0.744 -3.437 1.00 0.00 N ATOM 0 H LYS A 3 -8.226 1.057 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.591 -0.380 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.021 -1.053 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.849 0.593 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.079 1.524 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.698 0.005 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.871 -0.867 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.275 0.837 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.331 1.037 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.425 -0.445 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.821 -0.826 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.250 -1.694 -3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.127 -0.258 -2.829 1.00 0.00 H new ATOM 63 N LYS A 4 -7.447 -1.570 -1.955 1.00 0.00 N ATOM 64 CA LYS A 4 -7.020 -2.673 -2.857 1.00 0.00 C ATOM 65 C LYS A 4 -5.901 -3.474 -2.204 1.00 0.00 C ATOM 66 O LYS A 4 -4.766 -3.461 -2.638 1.00 0.00 O ATOM 67 CB LYS A 4 -6.521 -1.977 -4.115 1.00 0.00 C ATOM 68 CG LYS A 4 -7.542 -2.152 -5.241 1.00 0.00 C ATOM 69 CD LYS A 4 -6.845 -2.716 -6.482 1.00 0.00 C ATOM 70 CE LYS A 4 -6.812 -4.243 -6.397 1.00 0.00 C ATOM 71 NZ LYS A 4 -6.479 -4.697 -7.777 1.00 0.00 N ATOM 0 H LYS A 4 -6.686 -1.044 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.827 -3.373 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.362 -0.917 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.559 -2.393 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.339 -2.824 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.007 -1.195 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.372 -2.402 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.831 -2.323 -6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.066 -4.583 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.773 -4.641 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.438 -5.736 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.210 -4.365 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.556 -4.308 -8.057 1.00 0.00 H new ATOM 85 N TRP A 5 -6.223 -4.166 -1.158 1.00 0.00 N ATOM 86 CA TRP A 5 -5.197 -4.981 -0.447 1.00 0.00 C ATOM 87 C TRP A 5 -3.957 -4.130 -0.157 1.00 0.00 C ATOM 88 O TRP A 5 -3.135 -3.914 -1.026 1.00 0.00 O ATOM 89 CB TRP A 5 -4.854 -6.115 -1.411 1.00 0.00 C ATOM 90 CG TRP A 5 -5.790 -7.259 -1.189 1.00 0.00 C ATOM 91 CD1 TRP A 5 -6.712 -7.695 -2.078 1.00 0.00 C ATOM 92 CD2 TRP A 5 -5.912 -8.118 -0.019 1.00 0.00 C ATOM 93 NE1 TRP A 5 -7.391 -8.767 -1.527 1.00 0.00 N ATOM 94 CE2 TRP A 5 -6.934 -9.065 -0.260 1.00 0.00 C ATOM 95 CE3 TRP A 5 -5.239 -8.165 1.214 1.00 0.00 C ATOM 96 CZ2 TRP A 5 -7.278 -10.026 0.692 1.00 0.00 C ATOM 97 CZ3 TRP A 5 -5.582 -9.130 2.175 1.00 0.00 C ATOM 98 CH2 TRP A 5 -6.600 -10.059 1.913 1.00 0.00 C ATOM 0 H TRP A 5 -7.160 -4.207 -0.756 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.558 -5.356 0.511 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -4.928 -5.766 -2.441 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -3.825 -6.439 -1.257 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.889 -7.275 -3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -8.138 -9.275 -2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.453 -7.455 1.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -8.063 -10.739 0.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.060 -9.157 3.120 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.860 -10.800 2.655 1.00 0.00 H new ATOM 109 N PRO A 6 -3.869 -3.672 1.061 1.00 0.00 N ATOM 110 CA PRO A 6 -2.719 -2.834 1.478 1.00 0.00 C ATOM 111 C PRO A 6 -1.454 -3.683 1.609 1.00 0.00 C ATOM 112 O PRO A 6 -1.087 -4.107 2.687 1.00 0.00 O ATOM 113 CB PRO A 6 -3.150 -2.282 2.832 1.00 0.00 C ATOM 114 CG PRO A 6 -4.150 -3.266 3.352 1.00 0.00 C ATOM 115 CD PRO A 6 -4.820 -3.892 2.156 1.00 0.00 C ATOM 0 HA PRO A 6 -2.480 -2.049 0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.300 -2.188 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.589 -1.289 2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.661 -4.026 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.883 -2.770 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.008 -4.954 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.783 -3.425 1.948 1.00 0.00 H new ATOM 123 N TRP A 7 -0.787 -3.930 0.519 1.00 0.00 N ATOM 124 CA TRP A 7 0.459 -4.751 0.572 1.00 0.00 C ATOM 125 C TRP A 7 1.594 -4.029 -0.150 1.00 0.00 C ATOM 126 O TRP A 7 2.174 -4.538 -1.089 1.00 0.00 O ATOM 127 CB TRP A 7 0.111 -6.047 -0.149 1.00 0.00 C ATOM 128 CG TRP A 7 0.089 -7.176 0.831 1.00 0.00 C ATOM 129 CD1 TRP A 7 -1.005 -7.596 1.508 1.00 0.00 C ATOM 130 CD2 TRP A 7 1.187 -8.036 1.254 1.00 0.00 C ATOM 131 NE1 TRP A 7 -0.648 -8.657 2.319 1.00 0.00 N ATOM 132 CE2 TRP A 7 0.692 -8.965 2.199 1.00 0.00 C ATOM 133 CE3 TRP A 7 2.551 -8.097 0.914 1.00 0.00 C ATOM 134 CZ2 TRP A 7 1.521 -9.922 2.785 1.00 0.00 C ATOM 135 CZ3 TRP A 7 3.388 -9.059 1.504 1.00 0.00 C ATOM 136 CH2 TRP A 7 2.874 -9.970 2.438 1.00 0.00 C ATOM 0 H TRP A 7 -1.049 -3.600 -0.410 1.00 0.00 H new ATOM 0 HA TRP A 7 0.792 -4.930 1.594 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.860 -5.955 -0.635 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.842 -6.247 -0.933 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.995 -7.172 1.428 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.296 -9.152 2.932 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.957 -7.400 0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.119 -10.622 3.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.434 -9.097 1.237 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.522 -10.707 2.888 1.00 0.00 H new ATOM 147 N TRP A 8 1.911 -2.847 0.283 1.00 0.00 N ATOM 148 CA TRP A 8 3.006 -2.078 -0.366 1.00 0.00 C ATOM 149 C TRP A 8 4.068 -1.688 0.667 1.00 0.00 C ATOM 150 O TRP A 8 3.830 -0.853 1.517 1.00 0.00 O ATOM 151 CB TRP A 8 2.329 -0.833 -0.938 1.00 0.00 C ATOM 152 CG TRP A 8 3.164 -0.277 -2.045 1.00 0.00 C ATOM 153 CD1 TRP A 8 3.900 0.855 -1.968 1.00 0.00 C ATOM 154 CD2 TRP A 8 3.361 -0.805 -3.389 1.00 0.00 C ATOM 155 NE1 TRP A 8 4.534 1.057 -3.180 1.00 0.00 N ATOM 156 CE2 TRP A 8 4.234 0.060 -4.088 1.00 0.00 C ATOM 157 CE3 TRP A 8 2.871 -1.939 -4.062 1.00 0.00 C ATOM 158 CZ2 TRP A 8 4.608 -0.189 -5.409 1.00 0.00 C ATOM 159 CZ3 TRP A 8 3.247 -2.193 -5.391 1.00 0.00 C ATOM 160 CH2 TRP A 8 4.113 -1.320 -6.064 1.00 0.00 C ATOM 0 H TRP A 8 1.456 -2.375 1.065 1.00 0.00 H new ATOM 0 HA TRP A 8 3.515 -2.656 -1.137 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.335 -1.084 -1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.198 -0.085 -0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 8 3.979 1.496 -1.102 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.149 1.846 -3.379 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.202 -2.618 -3.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.275 0.488 -5.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.866 -3.067 -5.898 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.397 -1.521 -7.086 1.00 0.00 H new ATOM 171 N PRO A 9 5.206 -2.315 0.558 1.00 0.00 N ATOM 172 CA PRO A 9 6.321 -2.047 1.487 1.00 0.00 C ATOM 173 C PRO A 9 7.171 -0.878 0.986 1.00 0.00 C ATOM 174 O PRO A 9 8.367 -0.832 1.191 1.00 0.00 O ATOM 175 CB PRO A 9 7.115 -3.345 1.456 1.00 0.00 C ATOM 176 CG PRO A 9 6.805 -3.983 0.130 1.00 0.00 C ATOM 177 CD PRO A 9 5.560 -3.332 -0.430 1.00 0.00 C ATOM 0 HA PRO A 9 5.991 -1.770 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.183 -3.153 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.829 -3.998 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.642 -3.857 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.651 -5.055 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.749 -2.888 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.756 -4.057 -0.559 1.00 0.00 H new ATOM 185 N TRP A 10 6.559 0.061 0.330 1.00 0.00 N ATOM 186 CA TRP A 10 7.315 1.227 -0.191 1.00 0.00 C ATOM 187 C TRP A 10 6.974 2.483 0.609 1.00 0.00 C ATOM 188 O TRP A 10 7.806 3.044 1.295 1.00 0.00 O ATOM 189 CB TRP A 10 6.850 1.369 -1.638 1.00 0.00 C ATOM 190 CG TRP A 10 8.036 1.424 -2.540 1.00 0.00 C ATOM 191 CD1 TRP A 10 8.926 2.442 -2.615 1.00 0.00 C ATOM 192 CD2 TRP A 10 8.471 0.429 -3.498 1.00 0.00 C ATOM 193 NE1 TRP A 10 9.882 2.126 -3.565 1.00 0.00 N ATOM 194 CE2 TRP A 10 9.642 0.892 -4.138 1.00 0.00 C ATOM 195 CE3 TRP A 10 7.959 -0.820 -3.867 1.00 0.00 C ATOM 196 CZ2 TRP A 10 10.286 0.133 -5.116 1.00 0.00 C ATOM 197 CZ3 TRP A 10 8.601 -1.590 -4.849 1.00 0.00 C ATOM 198 CH2 TRP A 10 9.764 -1.114 -5.473 1.00 0.00 C ATOM 0 H TRP A 10 5.559 0.071 0.130 1.00 0.00 H new ATOM 0 HA TRP A 10 8.394 1.092 -0.115 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.212 0.528 -1.910 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.252 2.273 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.895 3.350 -2.031 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.666 2.730 -3.811 1.00 0.00 H new ATOM 0 HE3 TRP A 10 7.064 -1.194 -3.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 11.180 0.506 -5.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 8.198 -2.553 -5.126 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.255 -1.710 -6.228 1.00 0.00 H new ATOM 209 N ARG A 11 5.753 2.927 0.526 1.00 0.00 N ATOM 210 CA ARG A 11 5.343 4.144 1.272 1.00 0.00 C ATOM 211 C ARG A 11 4.098 3.847 2.107 1.00 0.00 C ATOM 212 O ARG A 11 3.041 4.405 1.890 1.00 0.00 O ATOM 213 CB ARG A 11 5.037 5.204 0.206 1.00 0.00 C ATOM 214 CG ARG A 11 4.533 4.548 -1.085 1.00 0.00 C ATOM 215 CD ARG A 11 3.805 5.590 -1.937 1.00 0.00 C ATOM 216 NE ARG A 11 4.810 6.663 -2.173 1.00 0.00 N ATOM 217 CZ ARG A 11 5.278 6.865 -3.374 1.00 0.00 C ATOM 218 NH1 ARG A 11 4.641 7.650 -4.200 1.00 0.00 N ATOM 219 NH2 ARG A 11 6.384 6.282 -3.749 1.00 0.00 N ATOM 0 H ARG A 11 5.016 2.495 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 11 6.120 4.484 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.287 5.899 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.935 5.786 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.370 4.127 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.861 3.723 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.459 5.160 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.927 5.978 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 11 5.132 7.240 -1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.777 8.106 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.007 7.808 -5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.882 5.669 -3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.751 6.439 -4.688 1.00 0.00 H new ATOM 233 N ARG A 12 4.220 2.968 3.058 1.00 0.00 N ATOM 234 CA ARG A 12 3.050 2.626 3.915 1.00 0.00 C ATOM 235 C ARG A 12 3.520 2.209 5.312 1.00 0.00 C ATOM 236 O ARG A 12 3.640 1.039 5.614 1.00 0.00 O ATOM 237 CB ARG A 12 2.370 1.453 3.207 1.00 0.00 C ATOM 238 CG ARG A 12 1.047 1.132 3.905 1.00 0.00 C ATOM 239 CD ARG A 12 0.059 0.560 2.887 1.00 0.00 C ATOM 240 NE ARG A 12 -1.085 1.513 2.884 1.00 0.00 N ATOM 241 CZ ARG A 12 -1.546 1.977 1.755 1.00 0.00 C ATOM 242 NH1 ARG A 12 -0.756 2.632 0.948 1.00 0.00 N ATOM 243 NH2 ARG A 12 -2.795 1.786 1.432 1.00 0.00 N ATOM 0 H ARG A 12 5.081 2.469 3.281 1.00 0.00 H new ATOM 0 HA ARG A 12 2.374 3.471 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.190 1.701 2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.022 0.579 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.212 0.415 4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.636 2.033 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.511 0.483 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.263 -0.442 3.169 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.509 1.803 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.221 2.781 1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.116 2.995 0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.412 1.274 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.155 2.149 0.549 1.00 0.00 H new ATOM 257 N LYS A 13 3.789 3.160 6.166 1.00 0.00 N ATOM 258 CA LYS A 13 4.249 2.817 7.542 1.00 0.00 C ATOM 259 C LYS A 13 3.067 2.828 8.515 1.00 0.00 C ATOM 260 O LYS A 13 3.141 3.408 9.580 1.00 0.00 O ATOM 261 CB LYS A 13 5.255 3.911 7.908 1.00 0.00 C ATOM 262 CG LYS A 13 6.534 3.270 8.446 1.00 0.00 C ATOM 263 CD LYS A 13 7.535 3.090 7.302 1.00 0.00 C ATOM 264 CE LYS A 13 7.828 1.600 7.110 1.00 0.00 C ATOM 265 NZ LYS A 13 8.810 1.543 5.992 1.00 0.00 N ATOM 0 H LYS A 13 3.710 4.158 5.970 1.00 0.00 H new ATOM 0 HA LYS A 13 4.691 1.822 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.481 4.519 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.827 4.577 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.966 3.896 9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.307 2.305 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.132 3.514 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.457 3.627 7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.237 1.158 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.921 1.047 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.061 0.552 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.390 1.965 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.666 2.072 6.254 1.00 0.00 H new HETATM 279 N NH2 A 14 1.967 2.206 8.188 1.00 0.00 N TER 282 NH2 A 14