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+ -120:sc= -0.992 (180deg=-2.4!) 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 -14.688 2.078 -3.018 1.00 0.00 N ATOM 2 CA ILE A 1 -13.504 2.746 -3.632 1.00 0.00 C ATOM 3 C ILE A 1 -12.242 2.426 -2.827 1.00 0.00 C ATOM 4 O ILE A 1 -12.247 2.444 -1.613 1.00 0.00 O ATOM 5 CB ILE A 1 -13.816 4.241 -3.568 1.00 0.00 C ATOM 6 CG1 ILE A 1 -14.193 4.622 -2.134 1.00 0.00 C ATOM 7 CG2 ILE A 1 -14.985 4.557 -4.502 1.00 0.00 C ATOM 8 CD1 ILE A 1 -13.498 5.931 -1.755 1.00 0.00 C ATOM 0 H1 ILE A 1 -15.116 1.428 -3.708 1.00 0.00 H new ATOM 0 H2 ILE A 1 -14.388 1.543 -2.178 1.00 0.00 H new ATOM 0 H3 ILE A 1 -15.387 2.797 -2.740 1.00 0.00 H new ATOM 0 HA ILE A 1 -13.323 2.411 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 1 -12.939 4.809 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -15.274 4.734 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -13.899 3.829 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -15.209 5.623 -4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -14.719 4.285 -5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -15.862 3.989 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -13.766 6.203 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -12.418 5.803 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -13.814 6.721 -2.436 1.00 0.00 H new ATOM 22 N LEU A 2 -11.161 2.129 -3.496 1.00 0.00 N ATOM 23 CA LEU A 2 -9.901 1.807 -2.769 1.00 0.00 C ATOM 24 C LEU A 2 -10.063 0.501 -1.992 1.00 0.00 C ATOM 25 O LEU A 2 -10.629 0.468 -0.918 1.00 0.00 O ATOM 26 CB LEU A 2 -9.678 2.979 -1.812 1.00 0.00 C ATOM 27 CG LEU A 2 -8.222 3.438 -1.897 1.00 0.00 C ATOM 28 CD1 LEU A 2 -7.994 4.171 -3.220 1.00 0.00 C ATOM 29 CD2 LEU A 2 -7.918 4.383 -0.732 1.00 0.00 C ATOM 0 H LEU A 2 -11.096 2.096 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.057 1.673 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.345 3.802 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.917 2.679 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.564 2.571 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.956 4.498 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.212 3.499 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.652 5.039 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.880 4.711 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.576 5.250 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.081 3.862 0.211 1.00 0.00 H new ATOM 41 N LYS A 3 -9.570 -0.576 -2.533 1.00 0.00 N ATOM 42 CA LYS A 3 -9.694 -1.886 -1.835 1.00 0.00 C ATOM 43 C LYS A 3 -8.919 -2.966 -2.596 1.00 0.00 C ATOM 44 O LYS A 3 -9.494 -3.891 -3.136 1.00 0.00 O ATOM 45 CB LYS A 3 -11.191 -2.198 -1.839 1.00 0.00 C ATOM 46 CG LYS A 3 -11.757 -1.953 -3.240 1.00 0.00 C ATOM 47 CD LYS A 3 -13.043 -2.760 -3.419 1.00 0.00 C ATOM 48 CE LYS A 3 -14.248 -1.890 -3.056 1.00 0.00 C ATOM 49 NZ LYS A 3 -14.881 -2.575 -1.896 1.00 0.00 N ATOM 0 H LYS A 3 -9.085 -0.607 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.287 -1.855 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.359 -3.233 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.706 -1.571 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.959 -0.891 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.026 -2.242 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.128 -3.105 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.019 -3.648 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.940 -0.877 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.942 -1.808 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.716 -2.037 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.170 -3.534 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.199 -2.633 -1.113 1.00 0.00 H new ATOM 63 N LYS A 4 -7.621 -2.856 -2.644 1.00 0.00 N ATOM 64 CA LYS A 4 -6.811 -3.872 -3.368 1.00 0.00 C ATOM 65 C LYS A 4 -5.674 -4.357 -2.479 1.00 0.00 C ATOM 66 O LYS A 4 -4.510 -4.131 -2.748 1.00 0.00 O ATOM 67 CB LYS A 4 -6.269 -3.141 -4.590 1.00 0.00 C ATOM 68 CG LYS A 4 -7.085 -3.524 -5.826 1.00 0.00 C ATOM 69 CD LYS A 4 -6.592 -4.867 -6.368 1.00 0.00 C ATOM 70 CE LYS A 4 -7.515 -5.331 -7.498 1.00 0.00 C ATOM 71 NZ LYS A 4 -7.761 -6.774 -7.224 1.00 0.00 N ATOM 0 H LYS A 4 -7.085 -2.103 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.392 -4.751 -3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.316 -2.064 -4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.220 -3.395 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.143 -3.589 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.989 -2.754 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.570 -4.770 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.575 -5.609 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.447 -4.766 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.049 -5.188 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.387 -7.165 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.857 -7.288 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.211 -6.879 -6.292 1.00 0.00 H new ATOM 85 N TRP A 5 -6.014 -5.022 -1.420 1.00 0.00 N ATOM 86 CA TRP A 5 -4.972 -5.536 -0.483 1.00 0.00 C ATOM 87 C TRP A 5 -3.881 -4.484 -0.275 1.00 0.00 C ATOM 88 O TRP A 5 -2.944 -4.399 -1.044 1.00 0.00 O ATOM 89 CB TRP A 5 -4.400 -6.776 -1.169 1.00 0.00 C ATOM 90 CG TRP A 5 -5.208 -7.972 -0.788 1.00 0.00 C ATOM 91 CD1 TRP A 5 -5.854 -8.786 -1.655 1.00 0.00 C ATOM 92 CD2 TRP A 5 -5.466 -8.501 0.540 1.00 0.00 C ATOM 93 NE1 TRP A 5 -6.495 -9.782 -0.939 1.00 0.00 N ATOM 94 CE2 TRP A 5 -6.286 -9.648 0.421 1.00 0.00 C ATOM 95 CE3 TRP A 5 -5.073 -8.097 1.826 1.00 0.00 C ATOM 96 CZ2 TRP A 5 -6.698 -10.371 1.541 1.00 0.00 C ATOM 97 CZ3 TRP A 5 -5.486 -8.820 2.956 1.00 0.00 C ATOM 98 CH2 TRP A 5 -6.298 -9.955 2.815 1.00 0.00 C ATOM 0 H TRP A 5 -6.975 -5.237 -1.155 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.379 -5.767 0.501 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -4.413 -6.645 -2.251 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -3.359 -6.919 -0.877 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.867 -8.676 -2.729 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.053 -10.524 -1.363 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.449 -7.224 1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.321 -11.245 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.177 -8.500 3.940 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.614 -10.506 3.688 1.00 0.00 H new ATOM 109 N PRO A 6 -4.041 -3.715 0.766 1.00 0.00 N ATOM 110 CA PRO A 6 -3.059 -2.652 1.088 1.00 0.00 C ATOM 111 C PRO A 6 -1.758 -3.263 1.612 1.00 0.00 C ATOM 112 O PRO A 6 -1.522 -3.328 2.802 1.00 0.00 O ATOM 113 CB PRO A 6 -3.754 -1.837 2.172 1.00 0.00 C ATOM 114 CG PRO A 6 -4.729 -2.781 2.801 1.00 0.00 C ATOM 115 CD PRO A 6 -5.142 -3.763 1.735 1.00 0.00 C ATOM 0 HA PRO A 6 -2.782 -2.050 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.038 -1.463 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.261 -0.969 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.275 -3.298 3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.595 -2.242 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.271 -4.765 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.090 -3.481 1.277 1.00 0.00 H new ATOM 123 N TRP A 7 -0.912 -3.711 0.728 1.00 0.00 N ATOM 124 CA TRP A 7 0.377 -4.318 1.163 1.00 0.00 C ATOM 125 C TRP A 7 1.537 -3.714 0.375 1.00 0.00 C ATOM 126 O TRP A 7 2.289 -4.409 -0.281 1.00 0.00 O ATOM 127 CB TRP A 7 0.241 -5.802 0.850 1.00 0.00 C ATOM 128 CG TRP A 7 0.188 -6.576 2.126 1.00 0.00 C ATOM 129 CD1 TRP A 7 -0.945 -6.910 2.783 1.00 0.00 C ATOM 130 CD2 TRP A 7 1.291 -7.115 2.909 1.00 0.00 C ATOM 131 NE1 TRP A 7 -0.609 -7.622 3.920 1.00 0.00 N ATOM 132 CE2 TRP A 7 0.758 -7.774 4.042 1.00 0.00 C ATOM 133 CE3 TRP A 7 2.688 -7.096 2.748 1.00 0.00 C ATOM 134 CZ2 TRP A 7 1.582 -8.393 4.983 1.00 0.00 C ATOM 135 CZ3 TRP A 7 3.521 -7.718 3.693 1.00 0.00 C ATOM 136 CH2 TRP A 7 2.968 -8.365 4.807 1.00 0.00 C ATOM 0 H TRP A 7 -1.058 -3.683 -0.281 1.00 0.00 H new ATOM 0 HA TRP A 7 0.580 -4.139 2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.662 -5.980 0.266 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.083 -6.136 0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.949 -6.661 2.471 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.288 -7.990 4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.123 -6.600 1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.152 -8.890 5.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.593 -7.698 3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.614 -8.842 5.530 1.00 0.00 H new ATOM 147 N TRP A 8 1.685 -2.428 0.438 1.00 0.00 N ATOM 148 CA TRP A 8 2.792 -1.763 -0.302 1.00 0.00 C ATOM 149 C TRP A 8 3.964 -1.479 0.640 1.00 0.00 C ATOM 150 O TRP A 8 3.870 -0.637 1.511 1.00 0.00 O ATOM 151 CB TRP A 8 2.194 -0.458 -0.824 1.00 0.00 C ATOM 152 CG TRP A 8 2.976 0.009 -2.009 1.00 0.00 C ATOM 153 CD1 TRP A 8 3.820 1.064 -2.015 1.00 0.00 C ATOM 154 CD2 TRP A 8 3.006 -0.547 -3.355 1.00 0.00 C ATOM 155 NE1 TRP A 8 4.362 1.196 -3.281 1.00 0.00 N ATOM 156 CE2 TRP A 8 3.891 0.226 -4.143 1.00 0.00 C ATOM 157 CE3 TRP A 8 2.354 -1.635 -3.965 1.00 0.00 C ATOM 158 CZ2 TRP A 8 4.122 -0.067 -5.486 1.00 0.00 C ATOM 159 CZ3 TRP A 8 2.586 -1.935 -5.317 1.00 0.00 C ATOM 160 CH2 TRP A 8 3.469 -1.152 -6.076 1.00 0.00 C ATOM 0 H TRP A 8 1.085 -1.801 0.973 1.00 0.00 H new ATOM 0 HA TRP A 8 3.179 -2.384 -1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.150 -0.608 -1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.211 0.301 -0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.036 1.700 -1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.028 1.922 -3.545 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.671 -2.243 -3.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 4.801 0.540 -6.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.082 -2.773 -5.775 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.644 -1.388 -7.115 1.00 0.00 H new ATOM 171 N PRO A 9 5.035 -2.195 0.430 1.00 0.00 N ATOM 172 CA PRO A 9 6.243 -2.029 1.265 1.00 0.00 C ATOM 173 C PRO A 9 7.128 -0.908 0.718 1.00 0.00 C ATOM 174 O PRO A 9 8.331 -0.910 0.888 1.00 0.00 O ATOM 175 CB PRO A 9 6.937 -3.378 1.141 1.00 0.00 C ATOM 176 CG PRO A 9 6.470 -3.960 -0.164 1.00 0.00 C ATOM 177 CD PRO A 9 5.217 -3.225 -0.590 1.00 0.00 C ATOM 0 HA PRO A 9 6.020 -1.756 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.021 -3.263 1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.677 -4.030 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.246 -3.860 -0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.267 -5.025 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.331 -2.787 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.359 -3.896 -0.635 1.00 0.00 H new ATOM 185 N TRP A 10 6.538 0.045 0.064 1.00 0.00 N ATOM 186 CA TRP A 10 7.327 1.170 -0.501 1.00 0.00 C ATOM 187 C TRP A 10 7.123 2.435 0.332 1.00 0.00 C ATOM 188 O TRP A 10 8.060 3.137 0.659 1.00 0.00 O ATOM 189 CB TRP A 10 6.770 1.362 -1.909 1.00 0.00 C ATOM 190 CG TRP A 10 7.895 1.416 -2.884 1.00 0.00 C ATOM 191 CD1 TRP A 10 8.805 2.409 -2.980 1.00 0.00 C ATOM 192 CD2 TRP A 10 8.238 0.442 -3.901 1.00 0.00 C ATOM 193 NE1 TRP A 10 9.690 2.104 -4.001 1.00 0.00 N ATOM 194 CE2 TRP A 10 9.379 0.898 -4.599 1.00 0.00 C ATOM 195 CE3 TRP A 10 7.667 -0.778 -4.274 1.00 0.00 C ATOM 196 CZ2 TRP A 10 9.937 0.155 -5.641 1.00 0.00 C ATOM 197 CZ3 TRP A 10 8.222 -1.531 -5.323 1.00 0.00 C ATOM 198 CH2 TRP A 10 9.356 -1.064 -6.005 1.00 0.00 C ATOM 0 H TRP A 10 5.533 0.095 -0.106 1.00 0.00 H new ATOM 0 HA TRP A 10 8.398 0.966 -0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.096 0.543 -2.160 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.187 2.281 -1.959 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.837 3.295 -2.363 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.474 2.696 -4.277 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.795 -1.144 -3.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 10.810 0.519 -6.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 7.774 -2.472 -5.605 1.00 0.00 H new ATOM 0 HH2 TRP A 10 9.780 -1.645 -6.810 1.00 0.00 H new ATOM 209 N ARG A 11 5.904 2.728 0.678 1.00 0.00 N ATOM 210 CA ARG A 11 5.625 3.944 1.490 1.00 0.00 C ATOM 211 C ARG A 11 4.932 3.555 2.792 1.00 0.00 C ATOM 212 O ARG A 11 3.813 3.947 3.061 1.00 0.00 O ATOM 213 CB ARG A 11 4.701 4.796 0.620 1.00 0.00 C ATOM 214 CG ARG A 11 5.518 5.883 -0.081 1.00 0.00 C ATOM 215 CD ARG A 11 5.703 7.073 0.863 1.00 0.00 C ATOM 216 NE ARG A 11 6.545 8.037 0.103 1.00 0.00 N ATOM 217 CZ ARG A 11 7.820 7.804 -0.057 1.00 0.00 C ATOM 218 NH1 ARG A 11 8.668 8.154 0.873 1.00 0.00 N ATOM 219 NH2 ARG A 11 8.246 7.223 -1.144 1.00 0.00 N ATOM 0 H ARG A 11 5.083 2.175 0.432 1.00 0.00 H new ATOM 0 HA ARG A 11 6.534 4.481 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.200 4.170 -0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.923 5.250 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.489 5.487 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.011 6.203 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.744 7.515 1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.189 6.770 1.791 1.00 0.00 H new ATOM 0 HE ARG A 11 6.126 8.879 -0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.334 8.609 1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.664 7.973 0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.583 6.950 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.242 7.041 -1.268 1.00 0.00 H new ATOM 233 N ARG A 12 5.594 2.784 3.602 1.00 0.00 N ATOM 234 CA ARG A 12 4.990 2.358 4.896 1.00 0.00 C ATOM 235 C ARG A 12 5.490 3.251 6.035 1.00 0.00 C ATOM 236 O ARG A 12 6.184 4.223 5.816 1.00 0.00 O ATOM 237 CB ARG A 12 5.461 0.916 5.097 1.00 0.00 C ATOM 238 CG ARG A 12 4.281 0.052 5.540 1.00 0.00 C ATOM 239 CD ARG A 12 4.695 -0.801 6.741 1.00 0.00 C ATOM 240 NE ARG A 12 3.748 -0.421 7.826 1.00 0.00 N ATOM 241 CZ ARG A 12 2.832 -1.266 8.219 1.00 0.00 C ATOM 242 NH1 ARG A 12 3.103 -2.542 8.275 1.00 0.00 N ATOM 243 NH2 ARG A 12 1.649 -0.835 8.555 1.00 0.00 N ATOM 0 H ARG A 12 6.533 2.427 3.425 1.00 0.00 H new ATOM 0 HA ARG A 12 3.903 2.435 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.882 0.527 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.252 0.882 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.433 0.684 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.958 -0.589 4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.627 -1.865 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.727 -0.602 7.030 1.00 0.00 H new ATOM 0 HE ARG A 12 3.814 0.499 8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.029 -2.879 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.388 -3.202 8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.438 0.162 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.934 -1.495 8.862 1.00 0.00 H new ATOM 257 N LYS A 13 5.141 2.928 7.250 1.00 0.00 N ATOM 258 CA LYS A 13 5.595 3.757 8.404 1.00 0.00 C ATOM 259 C LYS A 13 6.279 2.872 9.451 1.00 0.00 C ATOM 260 O LYS A 13 7.262 2.217 9.166 1.00 0.00 O ATOM 261 CB LYS A 13 4.317 4.381 8.966 1.00 0.00 C ATOM 262 CG LYS A 13 3.675 5.278 7.904 1.00 0.00 C ATOM 263 CD LYS A 13 2.396 4.617 7.384 1.00 0.00 C ATOM 264 CE LYS A 13 1.260 4.845 8.385 1.00 0.00 C ATOM 265 NZ LYS A 13 0.043 5.037 7.547 1.00 0.00 N ATOM 0 H LYS A 13 4.561 2.126 7.494 1.00 0.00 H new ATOM 0 HA LYS A 13 6.321 4.516 8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.620 3.599 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.546 4.963 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.445 6.255 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.372 5.443 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.128 5.033 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.559 3.549 7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.147 3.993 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.452 5.718 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.780 5.199 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.177 5.859 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.118 4.187 6.970 1.00 0.00 H new HETATM 279 N NH2 A 14 5.798 2.820 10.664 1.00 0.00 N TER 282 NH2 A 14