USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 139 hydrogens (0 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.19) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.594 6.874 -5.215 1.00 15.00 N ATOM 2 CA ARG A 1 2.790 8.113 -4.408 1.00 15.00 C ATOM 3 C ARG A 1 2.175 7.939 -3.018 1.00 15.00 C ATOM 4 O ARG A 1 2.825 8.141 -2.010 1.00 15.00 O ATOM 5 CB ARG A 1 2.064 9.211 -5.186 1.00 15.00 C ATOM 6 CG ARG A 1 2.883 10.499 -5.154 1.00 15.00 C ATOM 7 CD ARG A 1 2.574 11.276 -3.874 1.00 15.00 C ATOM 8 NE ARG A 1 3.321 10.573 -2.791 1.00 15.00 N ATOM 9 CZ ARG A 1 3.223 10.984 -1.555 1.00 15.00 C ATOM 10 NH1 ARG A 1 2.096 11.480 -1.117 1.00 15.00 N ATOM 11 NH2 ARG A 1 4.251 10.900 -0.757 1.00 15.00 N ATOM 0 H1 ARG A 1 3.015 7.003 -6.157 1.00 15.00 H new ATOM 0 H2 ARG A 1 3.053 6.072 -4.737 1.00 15.00 H new ATOM 0 H3 ARG A 1 1.577 6.682 -5.314 1.00 15.00 H new ATOM 0 HA ARG A 1 3.844 8.350 -4.260 1.00 15.00 H new ATOM 0 HB2 ARG A 1 1.907 8.895 -6.217 1.00 15.00 H new ATOM 0 HB3 ARG A 1 1.079 9.385 -4.753 1.00 15.00 H new ATOM 0 HG2 ARG A 1 3.947 10.266 -5.201 1.00 15.00 H new ATOM 0 HG3 ARG A 1 2.651 11.110 -6.026 1.00 15.00 H new ATOM 0 HD2 ARG A 1 2.892 12.315 -3.959 1.00 15.00 H new ATOM 0 HD3 ARG A 1 1.503 11.286 -3.670 1.00 15.00 H new ATOM 0 HE ARG A 1 3.909 9.770 -3.016 1.00 15.00 H new ATOM 0 HH11 ARG A 1 1.292 11.547 -1.741 1.00 15.00 H new ATOM 0 HH12 ARG A 1 2.021 11.801 -0.152 1.00 15.00 H new ATOM 0 HH21 ARG A 1 5.131 10.513 -1.098 1.00 15.00 H new ATOM 0 HH22 ARG A 1 4.175 11.221 0.208 1.00 15.00 H new ATOM 27 N GLN A 2 0.924 7.562 -2.954 1.00 15.00 N ATOM 28 CA GLN A 2 0.266 7.372 -1.628 1.00 15.00 C ATOM 29 C GLN A 2 0.789 6.102 -0.956 1.00 15.00 C ATOM 30 O GLN A 2 0.980 6.061 0.240 1.00 15.00 O ATOM 31 CB GLN A 2 -1.223 7.240 -1.939 1.00 15.00 C ATOM 32 CG GLN A 2 -2.030 7.932 -0.842 1.00 15.00 C ATOM 33 CD GLN A 2 -1.827 9.445 -0.935 1.00 15.00 C ATOM 34 OE1 GLN A 2 -2.177 10.058 -1.924 1.00 15.00 O ATOM 35 NE2 GLN A 2 -1.271 10.078 0.063 1.00 15.00 N ATOM 0 H GLN A 2 0.330 7.378 -3.763 1.00 15.00 H new ATOM 0 HA GLN A 2 0.467 8.198 -0.946 1.00 15.00 H new ATOM 0 HB2 GLN A 2 -1.445 7.688 -2.908 1.00 15.00 H new ATOM 0 HB3 GLN A 2 -1.501 6.188 -2.003 1.00 15.00 H new ATOM 0 HG2 GLN A 2 -3.088 7.689 -0.946 1.00 15.00 H new ATOM 0 HG3 GLN A 2 -1.715 7.572 0.137 1.00 15.00 H new ATOM 0 HE21 GLN A 2 -0.977 9.563 0.893 1.00 15.00 H new ATOM 0 HE22 GLN A 2 -1.131 11.087 0.012 1.00 15.00 H new ATOM 44 N ILE A 3 1.040 5.079 -1.729 1.00 15.00 N ATOM 45 CA ILE A 3 1.572 3.805 -1.188 1.00 15.00 C ATOM 46 C ILE A 3 0.991 3.441 0.194 1.00 15.00 C ATOM 47 O ILE A 3 1.698 3.026 1.091 1.00 15.00 O ATOM 48 CB ILE A 3 3.082 4.035 -1.161 1.00 15.00 C ATOM 49 CG1 ILE A 3 3.757 2.711 -1.464 1.00 15.00 C ATOM 50 CG2 ILE A 3 3.560 4.582 0.192 1.00 15.00 C ATOM 51 CD1 ILE A 3 3.360 1.691 -0.395 1.00 15.00 C ATOM 0 H ILE A 3 0.893 5.079 -2.738 1.00 15.00 H new ATOM 0 HA ILE A 3 1.291 2.946 -1.797 1.00 15.00 H new ATOM 0 HB ILE A 3 3.343 4.785 -1.907 1.00 15.00 H new ATOM 0 HG12 ILE A 3 3.462 2.356 -2.451 1.00 15.00 H new ATOM 0 HG13 ILE A 3 4.840 2.836 -1.481 1.00 15.00 H new ATOM 0 HG21 ILE A 3 4.640 4.730 0.164 1.00 15.00 H new ATOM 0 HG22 ILE A 3 3.069 5.534 0.394 1.00 15.00 H new ATOM 0 HG23 ILE A 3 3.311 3.871 0.980 1.00 15.00 H new ATOM 0 HD11 ILE A 3 3.842 0.736 -0.606 1.00 15.00 H new ATOM 0 HD12 ILE A 3 3.677 2.048 0.585 1.00 15.00 H new ATOM 0 HD13 ILE A 3 2.278 1.561 -0.401 1.00 15.00 H new ATOM 63 N LYS A 4 -0.295 3.562 0.363 1.00 15.00 N ATOM 64 CA LYS A 4 -0.904 3.189 1.662 1.00 15.00 C ATOM 65 C LYS A 4 -1.870 2.029 1.441 1.00 15.00 C ATOM 66 O LYS A 4 -1.829 1.034 2.137 1.00 15.00 O ATOM 67 CB LYS A 4 -1.613 4.447 2.131 1.00 15.00 C ATOM 68 CG LYS A 4 -0.562 5.516 2.394 1.00 15.00 C ATOM 69 CD LYS A 4 -0.787 6.135 3.780 1.00 15.00 C ATOM 70 CE LYS A 4 0.313 5.666 4.738 1.00 15.00 C ATOM 71 NZ LYS A 4 1.222 6.837 4.883 1.00 15.00 N ATOM 0 H LYS A 4 -0.948 3.903 -0.343 1.00 15.00 H new ATOM 0 HA LYS A 4 -0.183 2.854 2.407 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.321 4.788 1.376 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -2.185 4.246 3.037 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.435 5.080 2.338 1.00 15.00 H new ATOM 0 HG3 LYS A 4 -0.616 6.289 1.627 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -0.782 7.223 3.709 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -1.765 5.846 4.164 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -0.103 5.367 5.700 1.00 15.00 H new ATOM 0 HE3 LYS A 4 0.843 4.802 4.338 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 2.002 6.593 5.526 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 1.608 7.094 3.952 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 0.691 7.642 5.273 1.00 15.00 H new ATOM 85 N ILE A 5 -2.695 2.123 0.438 1.00 15.00 N ATOM 86 CA ILE A 5 -3.614 0.995 0.125 1.00 15.00 C ATOM 87 C ILE A 5 -2.751 -0.128 -0.441 1.00 15.00 C ATOM 88 O ILE A 5 -2.991 -1.300 -0.231 1.00 15.00 O ATOM 89 CB ILE A 5 -4.572 1.529 -0.940 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.282 2.774 -0.417 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.608 0.459 -1.285 1.00 15.00 C ATOM 92 CD1 ILE A 5 -5.726 3.633 -1.600 1.00 15.00 C ATOM 0 H ILE A 5 -2.773 2.932 -0.179 1.00 15.00 H new ATOM 0 HA ILE A 5 -4.172 0.623 0.984 1.00 15.00 H new ATOM 0 HB ILE A 5 -4.004 1.785 -1.835 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -6.145 2.489 0.185 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -4.615 3.343 0.231 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.289 0.843 -2.044 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.102 -0.428 -1.667 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -6.173 0.197 -0.390 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -6.234 4.524 -1.232 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -4.854 3.927 -2.184 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -6.407 3.061 -2.230 1.00 15.00 H new ATOM 104 N TRP A 6 -1.715 0.259 -1.135 1.00 15.00 N ATOM 105 CA TRP A 6 -0.760 -0.722 -1.714 1.00 15.00 C ATOM 106 C TRP A 6 -0.072 -1.442 -0.584 1.00 15.00 C ATOM 107 O TRP A 6 -0.126 -2.648 -0.447 1.00 15.00 O ATOM 108 CB TRP A 6 0.267 0.134 -2.456 1.00 15.00 C ATOM 109 CG TRP A 6 -0.345 0.710 -3.668 1.00 15.00 C ATOM 110 CD1 TRP A 6 -0.262 0.155 -4.871 1.00 15.00 C ATOM 111 CD2 TRP A 6 -1.110 1.930 -3.820 1.00 15.00 C ATOM 112 NE1 TRP A 6 -0.939 0.938 -5.779 1.00 15.00 N ATOM 113 CE2 TRP A 6 -1.483 2.053 -5.176 1.00 15.00 C ATOM 114 CE3 TRP A 6 -1.516 2.928 -2.923 1.00 15.00 C ATOM 115 CZ2 TRP A 6 -2.236 3.129 -5.632 1.00 15.00 C ATOM 116 CZ3 TRP A 6 -2.276 4.019 -3.376 1.00 15.00 C ATOM 117 CH2 TRP A 6 -2.636 4.118 -4.729 1.00 15.00 C ATOM 0 H TRP A 6 -1.488 1.235 -1.327 1.00 15.00 H new ATOM 0 HA TRP A 6 -1.241 -1.456 -2.361 1.00 15.00 H new ATOM 0 HB2 TRP A 6 0.628 0.931 -1.806 1.00 15.00 H new ATOM 0 HB3 TRP A 6 1.132 -0.472 -2.727 1.00 15.00 H new ATOM 0 HD1 TRP A 6 0.255 -0.765 -5.101 1.00 15.00 H new ATOM 0 HE1 TRP A 6 -1.027 0.721 -6.772 1.00 15.00 H new ATOM 0 HE3 TRP A 6 -1.244 2.858 -1.880 1.00 15.00 H new ATOM 0 HZ2 TRP A 6 -2.509 3.200 -6.674 1.00 15.00 H new ATOM 0 HZ3 TRP A 6 -2.585 4.785 -2.680 1.00 15.00 H new ATOM 0 HH2 TRP A 6 -3.222 4.958 -5.072 1.00 15.00 H new ATOM 128 N PHE A 7 0.557 -0.674 0.245 1.00 15.00 N ATOM 129 CA PHE A 7 1.256 -1.242 1.431 1.00 15.00 C ATOM 130 C PHE A 7 0.291 -2.149 2.202 1.00 15.00 C ATOM 131 O PHE A 7 0.690 -2.978 2.995 1.00 15.00 O ATOM 132 CB PHE A 7 1.629 -0.019 2.276 1.00 15.00 C ATOM 133 CG PHE A 7 2.114 -0.462 3.636 1.00 15.00 C ATOM 134 CD1 PHE A 7 3.408 -0.971 3.784 1.00 15.00 C ATOM 135 CD2 PHE A 7 1.266 -0.364 4.747 1.00 15.00 C ATOM 136 CE1 PHE A 7 3.859 -1.382 5.044 1.00 15.00 C ATOM 137 CE2 PHE A 7 1.717 -0.774 6.008 1.00 15.00 C ATOM 138 CZ PHE A 7 3.013 -1.283 6.156 1.00 15.00 C ATOM 0 H PHE A 7 0.621 0.340 0.155 1.00 15.00 H new ATOM 0 HA PHE A 7 2.128 -1.841 1.168 1.00 15.00 H new ATOM 0 HB2 PHE A 7 2.405 0.558 1.774 1.00 15.00 H new ATOM 0 HB3 PHE A 7 0.765 0.636 2.384 1.00 15.00 H new ATOM 0 HD1 PHE A 7 4.060 -1.047 2.926 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.266 0.027 4.631 1.00 15.00 H new ATOM 0 HE1 PHE A 7 4.858 -1.775 5.159 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.065 -0.698 6.866 1.00 15.00 H new ATOM 0 HZ PHE A 7 3.361 -1.600 7.128 1.00 15.00 H new ATOM 148 N ARG A 8 -0.982 -1.971 1.975 1.00 15.00 N ATOM 149 CA ARG A 8 -2.001 -2.777 2.675 1.00 15.00 C ATOM 150 C ARG A 8 -2.339 -4.050 1.892 1.00 15.00 C ATOM 151 O ARG A 8 -2.966 -4.954 2.408 1.00 15.00 O ATOM 152 CB ARG A 8 -3.186 -1.832 2.719 1.00 15.00 C ATOM 153 CG ARG A 8 -4.057 -2.165 3.919 1.00 15.00 C ATOM 154 CD ARG A 8 -3.268 -1.816 5.178 1.00 15.00 C ATOM 155 NE ARG A 8 -4.105 -0.818 5.898 1.00 15.00 N ATOM 156 CZ ARG A 8 -4.333 -0.956 7.175 1.00 15.00 C ATOM 157 NH1 ARG A 8 -3.348 -0.867 8.027 1.00 15.00 N ATOM 158 NH2 ARG A 8 -5.545 -1.186 7.601 1.00 15.00 N ATOM 0 H ARG A 8 -1.358 -1.286 1.320 1.00 15.00 H new ATOM 0 HA ARG A 8 -1.681 -3.125 3.657 1.00 15.00 H new ATOM 0 HB2 ARG A 8 -2.840 -0.800 2.783 1.00 15.00 H new ATOM 0 HB3 ARG A 8 -3.766 -1.917 1.800 1.00 15.00 H new ATOM 0 HG2 ARG A 8 -4.989 -1.601 3.883 1.00 15.00 H new ATOM 0 HG3 ARG A 8 -4.324 -3.222 3.916 1.00 15.00 H new ATOM 0 HD2 ARG A 8 -3.094 -2.700 5.791 1.00 15.00 H new ATOM 0 HD3 ARG A 8 -2.290 -1.404 4.929 1.00 15.00 H new ATOM 0 HE ARG A 8 -4.501 -0.025 5.392 1.00 15.00 H new ATOM 0 HH11 ARG A 8 -2.400 -0.690 7.694 1.00 15.00 H new ATOM 0 HH12 ARG A 8 -3.526 -0.975 9.026 1.00 15.00 H new ATOM 0 HH21 ARG A 8 -6.314 -1.258 6.935 1.00 15.00 H new ATOM 0 HH22 ARG A 8 -5.723 -1.294 8.600 1.00 15.00 H new ATOM 172 N LYS A 9 -1.934 -4.128 0.652 1.00 15.00 N ATOM 173 CA LYS A 9 -2.240 -5.343 -0.157 1.00 15.00 C ATOM 174 C LYS A 9 -1.065 -6.322 -0.102 1.00 15.00 C ATOM 175 O LYS A 9 -1.142 -7.364 0.520 1.00 15.00 O ATOM 176 CB LYS A 9 -2.444 -4.826 -1.581 1.00 15.00 C ATOM 177 CG LYS A 9 -3.820 -4.167 -1.693 1.00 15.00 C ATOM 178 CD LYS A 9 -4.909 -5.240 -1.647 1.00 15.00 C ATOM 179 CE LYS A 9 -6.280 -4.585 -1.831 1.00 15.00 C ATOM 180 NZ LYS A 9 -7.256 -5.709 -1.768 1.00 15.00 N ATOM 0 H LYS A 9 -1.405 -3.404 0.165 1.00 15.00 H new ATOM 0 HA LYS A 9 -3.115 -5.878 0.211 1.00 15.00 H new ATOM 0 HB2 LYS A 9 -1.664 -4.108 -1.834 1.00 15.00 H new ATOM 0 HB3 LYS A 9 -2.364 -5.648 -2.293 1.00 15.00 H new ATOM 0 HG2 LYS A 9 -3.961 -3.456 -0.879 1.00 15.00 H new ATOM 0 HG3 LYS A 9 -3.890 -3.604 -2.623 1.00 15.00 H new ATOM 0 HD2 LYS A 9 -4.739 -5.979 -2.430 1.00 15.00 H new ATOM 0 HD3 LYS A 9 -4.872 -5.770 -0.695 1.00 15.00 H new ATOM 0 HE2 LYS A 9 -6.474 -3.850 -1.050 1.00 15.00 H new ATOM 0 HE3 LYS A 9 -6.342 -4.061 -2.785 1.00 15.00 H new ATOM 0 HZ1 LYS A 9 -8.220 -5.338 -1.886 1.00 15.00 H new ATOM 0 HZ2 LYS A 9 -7.051 -6.390 -2.527 1.00 15.00 H new ATOM 0 HZ3 LYS A 9 -7.179 -6.185 -0.846 1.00 15.00 H new ATOM 194 N TRP A 10 0.021 -5.996 -0.750 1.00 15.00 N ATOM 195 CA TRP A 10 1.199 -6.898 -0.742 1.00 15.00 C ATOM 196 C TRP A 10 2.091 -6.567 0.469 1.00 15.00 C ATOM 197 O TRP A 10 1.701 -6.750 1.605 1.00 15.00 O ATOM 198 CB TRP A 10 1.916 -6.589 -2.065 1.00 15.00 C ATOM 199 CG TRP A 10 0.936 -6.433 -3.180 1.00 15.00 C ATOM 200 CD1 TRP A 10 1.054 -5.531 -4.172 1.00 15.00 C ATOM 201 CD2 TRP A 10 -0.298 -7.161 -3.435 1.00 15.00 C ATOM 202 NE1 TRP A 10 -0.025 -5.667 -5.024 1.00 15.00 N ATOM 203 CE2 TRP A 10 -0.886 -6.656 -4.612 1.00 15.00 C ATOM 204 CE3 TRP A 10 -0.952 -8.197 -2.766 1.00 15.00 C ATOM 205 CZ2 TRP A 10 -2.085 -7.165 -5.111 1.00 15.00 C ATOM 206 CZ3 TRP A 10 -2.160 -8.718 -3.257 1.00 15.00 C ATOM 207 CH2 TRP A 10 -2.726 -8.202 -4.430 1.00 15.00 C ATOM 0 H TRP A 10 0.139 -5.137 -1.287 1.00 15.00 H new ATOM 0 HA TRP A 10 0.939 -7.953 -0.659 1.00 15.00 H new ATOM 0 HB2 TRP A 10 2.502 -5.676 -1.961 1.00 15.00 H new ATOM 0 HB3 TRP A 10 2.615 -7.391 -2.300 1.00 15.00 H new ATOM 0 HD1 TRP A 10 1.859 -4.819 -4.283 1.00 15.00 H new ATOM 0 HE1 TRP A 10 -0.166 -5.100 -5.860 1.00 15.00 H new ATOM 0 HE3 TRP A 10 -0.524 -8.602 -1.861 1.00 15.00 H new ATOM 0 HZ2 TRP A 10 -2.514 -6.761 -6.016 1.00 15.00 H new ATOM 0 HZ3 TRP A 10 -2.655 -9.519 -2.728 1.00 15.00 H new ATOM 0 HH2 TRP A 10 -3.655 -8.605 -4.806 1.00 15.00 H new ATOM 218 N LYS A 11 3.272 -6.061 0.231 1.00 15.00 N ATOM 219 CA LYS A 11 4.191 -5.686 1.336 1.00 15.00 C ATOM 220 C LYS A 11 5.170 -4.676 0.762 1.00 15.00 C ATOM 221 O LYS A 11 6.354 -4.702 1.032 1.00 15.00 O ATOM 222 CB LYS A 11 4.914 -6.970 1.756 1.00 15.00 C ATOM 223 CG LYS A 11 5.363 -7.744 0.518 1.00 15.00 C ATOM 224 CD LYS A 11 4.347 -8.844 0.225 1.00 15.00 C ATOM 225 CE LYS A 11 4.200 -9.023 -1.288 1.00 15.00 C ATOM 226 NZ LYS A 11 5.097 -10.161 -1.629 1.00 15.00 N ATOM 0 H LYS A 11 3.642 -5.890 -0.704 1.00 15.00 H new ATOM 0 HA LYS A 11 3.685 -5.253 2.199 1.00 15.00 H new ATOM 0 HB2 LYS A 11 5.777 -6.726 2.375 1.00 15.00 H new ATOM 0 HB3 LYS A 11 4.252 -7.589 2.362 1.00 15.00 H new ATOM 0 HG2 LYS A 11 5.447 -7.072 -0.336 1.00 15.00 H new ATOM 0 HG3 LYS A 11 6.350 -8.177 0.682 1.00 15.00 H new ATOM 0 HD2 LYS A 11 4.669 -9.780 0.682 1.00 15.00 H new ATOM 0 HD3 LYS A 11 3.383 -8.589 0.666 1.00 15.00 H new ATOM 0 HE2 LYS A 11 3.167 -9.239 -1.562 1.00 15.00 H new ATOM 0 HE3 LYS A 11 4.489 -8.118 -1.823 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 5.051 -10.345 -2.652 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 6.074 -9.924 -1.363 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 4.793 -11.010 -1.111 1.00 15.00 H new ATOM 240 N LYS A 12 4.659 -3.809 -0.076 1.00 15.00 N ATOM 241 CA LYS A 12 5.504 -2.790 -0.753 1.00 15.00 C ATOM 242 C LYS A 12 6.611 -2.267 0.173 1.00 15.00 C ATOM 243 O LYS A 12 6.335 -1.359 0.938 1.00 15.00 O ATOM 244 CB LYS A 12 4.540 -1.665 -1.120 1.00 15.00 C ATOM 245 CG LYS A 12 3.626 -2.123 -2.260 1.00 15.00 C ATOM 246 CD LYS A 12 4.461 -2.365 -3.520 1.00 15.00 C ATOM 247 CE LYS A 12 3.583 -2.177 -4.759 1.00 15.00 C ATOM 248 NZ LYS A 12 3.743 -0.744 -5.130 1.00 15.00 N ATOM 249 OXT LYS A 12 7.713 -2.786 0.099 1.00 15.00 O ATOM 0 H LYS A 12 3.670 -3.768 -0.321 1.00 15.00 H new ATOM 0 HA LYS A 12 6.013 -3.207 -1.622 1.00 15.00 H new ATOM 0 HB2 LYS A 12 3.943 -1.386 -0.252 1.00 15.00 H new ATOM 0 HB3 LYS A 12 5.098 -0.778 -1.421 1.00 15.00 H new ATOM 0 HG2 LYS A 12 3.104 -3.037 -1.976 1.00 15.00 H new ATOM 0 HG3 LYS A 12 2.865 -1.368 -2.455 1.00 15.00 H new ATOM 0 HD2 LYS A 12 5.303 -1.673 -3.550 1.00 15.00 H new ATOM 0 HD3 LYS A 12 4.877 -3.372 -3.505 1.00 15.00 H new ATOM 0 HE2 LYS A 12 3.899 -2.833 -5.570 1.00 15.00 H new ATOM 0 HE3 LYS A 12 2.541 -2.415 -4.545 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 3.170 -0.538 -5.973 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 3.428 -0.144 -4.341 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 4.744 -0.548 -5.335 1.00 15.00 H new TER 263 LYS A 12