USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=1 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= -0.0393 X(o=-0.039,f=-0.093) 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+ -123:sc= 1.6 (180deg=-1.56) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.502 9.089 -5.186 1.00 15.00 N ATOM 2 CA ARG A 1 2.999 7.959 -4.350 1.00 15.00 C ATOM 3 C ARG A 1 2.187 7.864 -3.055 1.00 15.00 C ATOM 4 O ARG A 1 2.654 8.220 -1.990 1.00 15.00 O ATOM 5 CB ARG A 1 4.458 8.301 -4.045 1.00 15.00 C ATOM 6 CG ARG A 1 5.244 7.018 -3.790 1.00 15.00 C ATOM 7 CD ARG A 1 5.451 6.289 -5.110 1.00 15.00 C ATOM 8 NE ARG A 1 6.569 7.010 -5.778 1.00 15.00 N ATOM 9 CZ ARG A 1 6.575 7.142 -7.077 1.00 15.00 C ATOM 10 NH1 ARG A 1 6.269 6.127 -7.837 1.00 15.00 N ATOM 11 NH2 ARG A 1 6.887 8.290 -7.614 1.00 15.00 N ATOM 0 H1 ARG A 1 3.060 9.144 -6.062 1.00 15.00 H new ATOM 0 H2 ARG A 1 1.501 8.932 -5.422 1.00 15.00 H new ATOM 0 H3 ARG A 1 2.598 9.980 -4.658 1.00 15.00 H new ATOM 0 HA ARG A 1 2.904 6.998 -4.856 1.00 15.00 H new ATOM 0 HB2 ARG A 1 4.896 8.847 -4.880 1.00 15.00 H new ATOM 0 HB3 ARG A 1 4.514 8.953 -3.173 1.00 15.00 H new ATOM 0 HG2 ARG A 1 6.206 7.251 -3.334 1.00 15.00 H new ATOM 0 HG3 ARG A 1 4.706 6.380 -3.089 1.00 15.00 H new ATOM 0 HD2 ARG A 1 5.699 5.240 -4.947 1.00 15.00 H new ATOM 0 HD3 ARG A 1 4.547 6.311 -5.719 1.00 15.00 H new ATOM 0 HE ARG A 1 7.329 7.400 -5.222 1.00 15.00 H new ATOM 0 HH11 ARG A 1 6.025 5.230 -7.417 1.00 15.00 H new ATOM 0 HH12 ARG A 1 6.274 6.230 -8.852 1.00 15.00 H new ATOM 0 HH21 ARG A 1 7.126 9.083 -7.019 1.00 15.00 H new ATOM 0 HH22 ARG A 1 6.892 8.394 -8.629 1.00 15.00 H new ATOM 27 N GLN A 2 0.973 7.388 -3.139 1.00 15.00 N ATOM 28 CA GLN A 2 0.129 7.269 -1.916 1.00 15.00 C ATOM 29 C GLN A 2 0.605 6.097 -1.058 1.00 15.00 C ATOM 30 O GLN A 2 0.624 6.171 0.152 1.00 15.00 O ATOM 31 CB GLN A 2 -1.286 7.014 -2.432 1.00 15.00 C ATOM 32 CG GLN A 2 -2.279 7.842 -1.621 1.00 15.00 C ATOM 33 CD GLN A 2 -2.172 9.312 -2.024 1.00 15.00 C ATOM 34 OE1 GLN A 2 -2.348 9.653 -3.178 1.00 15.00 O ATOM 35 NE2 GLN A 2 -1.891 10.206 -1.115 1.00 15.00 N ATOM 0 H GLN A 2 0.530 7.076 -4.003 1.00 15.00 H new ATOM 0 HA GLN A 2 0.180 8.161 -1.292 1.00 15.00 H new ATOM 0 HB2 GLN A 2 -1.353 7.277 -3.488 1.00 15.00 H new ATOM 0 HB3 GLN A 2 -1.529 5.954 -2.352 1.00 15.00 H new ATOM 0 HG2 GLN A 2 -3.293 7.481 -1.791 1.00 15.00 H new ATOM 0 HG3 GLN A 2 -2.076 7.731 -0.556 1.00 15.00 H new ATOM 0 HE21 GLN A 2 -1.743 9.920 -0.147 1.00 15.00 H new ATOM 0 HE22 GLN A 2 -1.819 11.190 -1.373 1.00 15.00 H new ATOM 44 N ILE A 3 1.015 5.028 -1.686 1.00 15.00 N ATOM 45 CA ILE A 3 1.521 3.842 -0.956 1.00 15.00 C ATOM 46 C ILE A 3 0.721 3.526 0.323 1.00 15.00 C ATOM 47 O ILE A 3 1.270 3.136 1.334 1.00 15.00 O ATOM 48 CB ILE A 3 2.980 4.192 -0.681 1.00 15.00 C ATOM 49 CG1 ILE A 3 3.787 2.911 -0.778 1.00 15.00 C ATOM 50 CG2 ILE A 3 3.172 4.843 0.698 1.00 15.00 C ATOM 51 CD1 ILE A 3 3.282 1.925 0.275 1.00 15.00 C ATOM 0 H ILE A 3 1.018 4.930 -2.701 1.00 15.00 H new ATOM 0 HA ILE A 3 1.414 2.923 -1.532 1.00 15.00 H new ATOM 0 HB ILE A 3 3.317 4.923 -1.416 1.00 15.00 H new ATOM 0 HG12 ILE A 3 3.691 2.480 -1.774 1.00 15.00 H new ATOM 0 HG13 ILE A 3 4.845 3.120 -0.622 1.00 15.00 H new ATOM 0 HG21 ILE A 3 4.227 5.074 0.848 1.00 15.00 H new ATOM 0 HG22 ILE A 3 2.588 5.762 0.751 1.00 15.00 H new ATOM 0 HG23 ILE A 3 2.837 4.155 1.475 1.00 15.00 H new ATOM 0 HD11 ILE A 3 3.856 1.001 0.213 1.00 15.00 H new ATOM 0 HD12 ILE A 3 3.401 2.360 1.267 1.00 15.00 H new ATOM 0 HD13 ILE A 3 2.228 1.710 0.097 1.00 15.00 H new ATOM 63 N LYS A 4 -0.570 3.663 0.279 1.00 15.00 N ATOM 64 CA LYS A 4 -1.385 3.339 1.474 1.00 15.00 C ATOM 65 C LYS A 4 -2.287 2.151 1.156 1.00 15.00 C ATOM 66 O LYS A 4 -2.369 1.200 1.907 1.00 15.00 O ATOM 67 CB LYS A 4 -2.180 4.602 1.746 1.00 15.00 C ATOM 68 CG LYS A 4 -1.204 5.726 2.050 1.00 15.00 C ATOM 69 CD LYS A 4 -1.590 6.402 3.364 1.00 15.00 C ATOM 70 CE LYS A 4 -0.814 7.712 3.516 1.00 15.00 C ATOM 71 NZ LYS A 4 -1.679 8.746 2.881 1.00 15.00 N ATOM 0 H LYS A 4 -1.096 3.985 -0.533 1.00 15.00 H new ATOM 0 HA LYS A 4 -0.795 3.055 2.345 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.795 4.857 0.883 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -2.858 4.450 2.586 1.00 15.00 H new ATOM 0 HG2 LYS A 4 -0.190 5.332 2.117 1.00 15.00 H new ATOM 0 HG3 LYS A 4 -1.210 6.455 1.240 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -2.662 6.599 3.382 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -1.373 5.740 4.202 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -0.629 7.942 4.565 1.00 15.00 H new ATOM 0 HE3 LYS A 4 0.158 7.655 3.026 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -1.214 9.674 2.945 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -1.833 8.504 1.881 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -2.595 8.782 3.373 1.00 15.00 H new ATOM 85 N ILE A 5 -2.921 2.176 0.017 1.00 15.00 N ATOM 86 CA ILE A 5 -3.771 1.022 -0.388 1.00 15.00 C ATOM 87 C ILE A 5 -2.841 -0.110 -0.826 1.00 15.00 C ATOM 88 O ILE A 5 -3.231 -1.253 -0.958 1.00 15.00 O ATOM 89 CB ILE A 5 -4.608 1.525 -1.569 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.236 2.881 -1.233 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.716 0.517 -1.875 1.00 15.00 C ATOM 92 CD1 ILE A 5 -5.795 2.860 0.191 1.00 15.00 C ATOM 0 H ILE A 5 -2.887 2.946 -0.651 1.00 15.00 H new ATOM 0 HA ILE A 5 -4.415 0.653 0.411 1.00 15.00 H new ATOM 0 HB ILE A 5 -3.960 1.638 -2.438 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -4.490 3.670 -1.328 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -6.032 3.108 -1.942 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.311 0.875 -2.715 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.272 -0.446 -2.129 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -6.355 0.402 -1.000 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -6.240 3.828 0.422 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -6.555 2.083 0.272 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -4.989 2.654 0.895 1.00 15.00 H new ATOM 104 N TRP A 6 -1.596 0.227 -1.031 1.00 15.00 N ATOM 105 CA TRP A 6 -0.575 -0.773 -1.441 1.00 15.00 C ATOM 106 C TRP A 6 -0.002 -1.416 -0.205 1.00 15.00 C ATOM 107 O TRP A 6 -0.021 -2.617 -0.027 1.00 15.00 O ATOM 108 CB TRP A 6 0.510 0.054 -2.122 1.00 15.00 C ATOM 109 CG TRP A 6 0.009 0.547 -3.415 1.00 15.00 C ATOM 110 CD1 TRP A 6 0.262 -0.042 -4.578 1.00 15.00 C ATOM 111 CD2 TRP A 6 -0.813 1.703 -3.699 1.00 15.00 C ATOM 112 NE1 TRP A 6 -0.355 0.664 -5.588 1.00 15.00 N ATOM 113 CE2 TRP A 6 -1.035 1.757 -5.092 1.00 15.00 C ATOM 114 CE3 TRP A 6 -1.381 2.697 -2.892 1.00 15.00 C ATOM 115 CZ2 TRP A 6 -1.799 2.764 -5.670 1.00 15.00 C ATOM 116 CZ3 TRP A 6 -2.155 3.718 -3.468 1.00 15.00 C ATOM 117 CH2 TRP A 6 -2.364 3.751 -4.857 1.00 15.00 C ATOM 0 H TRP A 6 -1.239 1.177 -0.928 1.00 15.00 H new ATOM 0 HA TRP A 6 -0.977 -1.555 -2.085 1.00 15.00 H new ATOM 0 HB2 TRP A 6 0.796 0.892 -1.487 1.00 15.00 H new ATOM 0 HB3 TRP A 6 1.404 -0.552 -2.273 1.00 15.00 H new ATOM 0 HD1 TRP A 6 0.857 -0.933 -4.711 1.00 15.00 H new ATOM 0 HE1 TRP A 6 -0.314 0.411 -6.575 1.00 15.00 H new ATOM 0 HE3 TRP A 6 -1.223 2.678 -1.824 1.00 15.00 H new ATOM 0 HZ2 TRP A 6 -1.955 2.784 -6.739 1.00 15.00 H new ATOM 0 HZ3 TRP A 6 -2.591 4.481 -2.840 1.00 15.00 H new ATOM 0 HH2 TRP A 6 -2.960 4.537 -5.296 1.00 15.00 H new ATOM 128 N PHE A 7 0.484 -0.589 0.659 1.00 15.00 N ATOM 129 CA PHE A 7 1.057 -1.082 1.944 1.00 15.00 C ATOM 130 C PHE A 7 0.044 -2.008 2.623 1.00 15.00 C ATOM 131 O PHE A 7 0.378 -2.806 3.476 1.00 15.00 O ATOM 132 CB PHE A 7 1.267 0.181 2.787 1.00 15.00 C ATOM 133 CG PHE A 7 1.762 -0.193 4.169 1.00 15.00 C ATOM 134 CD1 PHE A 7 2.651 -1.264 4.336 1.00 15.00 C ATOM 135 CD2 PHE A 7 1.329 0.536 5.283 1.00 15.00 C ATOM 136 CE1 PHE A 7 3.104 -1.604 5.617 1.00 15.00 C ATOM 137 CE2 PHE A 7 1.784 0.196 6.562 1.00 15.00 C ATOM 138 CZ PHE A 7 2.672 -0.874 6.730 1.00 15.00 C ATOM 0 H PHE A 7 0.513 0.423 0.536 1.00 15.00 H new ATOM 0 HA PHE A 7 1.983 -1.642 1.810 1.00 15.00 H new ATOM 0 HB2 PHE A 7 1.987 0.838 2.299 1.00 15.00 H new ATOM 0 HB3 PHE A 7 0.332 0.736 2.865 1.00 15.00 H new ATOM 0 HD1 PHE A 7 2.986 -1.827 3.477 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.644 1.361 5.155 1.00 15.00 H new ATOM 0 HE1 PHE A 7 3.787 -2.430 5.746 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.450 0.759 7.421 1.00 15.00 H new ATOM 0 HZ PHE A 7 3.023 -1.135 7.717 1.00 15.00 H new ATOM 148 N ARG A 8 -1.200 -1.881 2.248 1.00 15.00 N ATOM 149 CA ARG A 8 -2.265 -2.705 2.846 1.00 15.00 C ATOM 150 C ARG A 8 -2.597 -3.912 1.959 1.00 15.00 C ATOM 151 O ARG A 8 -3.492 -4.679 2.256 1.00 15.00 O ATOM 152 CB ARG A 8 -3.429 -1.736 2.893 1.00 15.00 C ATOM 153 CG ARG A 8 -4.338 -2.091 4.057 1.00 15.00 C ATOM 154 CD ARG A 8 -3.569 -1.820 5.347 1.00 15.00 C ATOM 155 NE ARG A 8 -4.398 -0.837 6.098 1.00 15.00 N ATOM 156 CZ ARG A 8 -4.618 -1.009 7.373 1.00 15.00 C ATOM 157 NH1 ARG A 8 -5.293 -2.046 7.786 1.00 15.00 N ATOM 158 NH2 ARG A 8 -4.163 -0.142 8.236 1.00 15.00 N ATOM 0 H ARG A 8 -1.520 -1.224 1.536 1.00 15.00 H new ATOM 0 HA ARG A 8 -1.999 -3.124 3.816 1.00 15.00 H new ATOM 0 HB2 ARG A 8 -3.062 -0.715 3.003 1.00 15.00 H new ATOM 0 HB3 ARG A 8 -3.987 -1.775 1.957 1.00 15.00 H new ATOM 0 HG2 ARG A 8 -5.251 -1.496 4.024 1.00 15.00 H new ATOM 0 HG3 ARG A 8 -4.637 -3.138 4.003 1.00 15.00 H new ATOM 0 HD2 ARG A 8 -3.428 -2.736 5.921 1.00 15.00 H new ATOM 0 HD3 ARG A 8 -2.577 -1.420 5.137 1.00 15.00 H new ATOM 0 HE ARG A 8 -4.794 -0.030 5.616 1.00 15.00 H new ATOM 0 HH11 ARG A 8 -5.650 -2.724 7.112 1.00 15.00 H new ATOM 0 HH12 ARG A 8 -5.464 -2.179 8.783 1.00 15.00 H new ATOM 0 HH21 ARG A 8 -3.636 0.670 7.914 1.00 15.00 H new ATOM 0 HH22 ARG A 8 -4.335 -0.276 9.232 1.00 15.00 H new ATOM 172 N LYS A 9 -1.891 -4.085 0.873 1.00 15.00 N ATOM 173 CA LYS A 9 -2.177 -5.238 -0.027 1.00 15.00 C ATOM 174 C LYS A 9 -1.040 -6.261 0.036 1.00 15.00 C ATOM 175 O LYS A 9 -1.168 -7.306 0.644 1.00 15.00 O ATOM 176 CB LYS A 9 -2.274 -4.629 -1.428 1.00 15.00 C ATOM 177 CG LYS A 9 -3.720 -4.219 -1.707 1.00 15.00 C ATOM 178 CD LYS A 9 -4.592 -5.469 -1.824 1.00 15.00 C ATOM 179 CE LYS A 9 -5.906 -5.112 -2.521 1.00 15.00 C ATOM 180 NZ LYS A 9 -6.757 -6.327 -2.381 1.00 15.00 N ATOM 0 H LYS A 9 -1.129 -3.477 0.571 1.00 15.00 H new ATOM 0 HA LYS A 9 -3.089 -5.764 0.256 1.00 15.00 H new ATOM 0 HB2 LYS A 9 -1.618 -3.762 -1.505 1.00 15.00 H new ATOM 0 HB3 LYS A 9 -1.939 -5.350 -2.174 1.00 15.00 H new ATOM 0 HG2 LYS A 9 -4.089 -3.579 -0.905 1.00 15.00 H new ATOM 0 HG3 LYS A 9 -3.773 -3.638 -2.628 1.00 15.00 H new ATOM 0 HD2 LYS A 9 -4.067 -6.240 -2.388 1.00 15.00 H new ATOM 0 HD3 LYS A 9 -4.793 -5.879 -0.834 1.00 15.00 H new ATOM 0 HE2 LYS A 9 -6.376 -4.245 -2.057 1.00 15.00 H new ATOM 0 HE3 LYS A 9 -5.742 -4.863 -3.569 1.00 15.00 H new ATOM 0 HZ1 LYS A 9 -7.678 -6.160 -2.835 1.00 15.00 H new ATOM 0 HZ2 LYS A 9 -6.287 -7.135 -2.837 1.00 15.00 H new ATOM 0 HZ3 LYS A 9 -6.901 -6.535 -1.372 1.00 15.00 H new ATOM 194 N TRP A 10 0.067 -5.972 -0.594 1.00 15.00 N ATOM 195 CA TRP A 10 1.206 -6.919 -0.585 1.00 15.00 C ATOM 196 C TRP A 10 2.166 -6.570 0.567 1.00 15.00 C ATOM 197 O TRP A 10 1.802 -6.604 1.726 1.00 15.00 O ATOM 198 CB TRP A 10 1.877 -6.701 -1.947 1.00 15.00 C ATOM 199 CG TRP A 10 0.856 -6.530 -3.023 1.00 15.00 C ATOM 200 CD1 TRP A 10 0.978 -5.676 -4.054 1.00 15.00 C ATOM 201 CD2 TRP A 10 -0.427 -7.194 -3.191 1.00 15.00 C ATOM 202 NE1 TRP A 10 -0.146 -5.780 -4.851 1.00 15.00 N ATOM 203 CE2 TRP A 10 -1.040 -6.703 -4.361 1.00 15.00 C ATOM 204 CE3 TRP A 10 -1.104 -8.166 -2.454 1.00 15.00 C ATOM 205 CZ2 TRP A 10 -2.288 -7.161 -4.784 1.00 15.00 C ATOM 206 CZ3 TRP A 10 -2.361 -8.634 -2.867 1.00 15.00 C ATOM 207 CH2 TRP A 10 -2.952 -8.131 -4.034 1.00 15.00 C ATOM 0 H TRP A 10 0.227 -5.111 -1.118 1.00 15.00 H new ATOM 0 HA TRP A 10 0.906 -7.956 -0.435 1.00 15.00 H new ATOM 0 HB2 TRP A 10 2.517 -5.820 -1.904 1.00 15.00 H new ATOM 0 HB3 TRP A 10 2.519 -7.550 -2.181 1.00 15.00 H new ATOM 0 HD1 TRP A 10 1.816 -5.018 -4.230 1.00 15.00 H new ATOM 0 HE1 TRP A 10 -0.295 -5.237 -5.701 1.00 15.00 H new ATOM 0 HE3 TRP A 10 -0.656 -8.563 -1.555 1.00 15.00 H new ATOM 0 HZ2 TRP A 10 -2.736 -6.768 -5.685 1.00 15.00 H new ATOM 0 HZ3 TRP A 10 -2.874 -9.384 -2.284 1.00 15.00 H new ATOM 0 HH2 TRP A 10 -3.919 -8.494 -4.351 1.00 15.00 H new ATOM 218 N LYS A 11 3.382 -6.223 0.246 1.00 15.00 N ATOM 219 CA LYS A 11 4.386 -5.853 1.276 1.00 15.00 C ATOM 220 C LYS A 11 5.528 -5.164 0.545 1.00 15.00 C ATOM 221 O LYS A 11 6.688 -5.472 0.735 1.00 15.00 O ATOM 222 CB LYS A 11 4.858 -7.161 1.913 1.00 15.00 C ATOM 223 CG LYS A 11 5.152 -8.191 0.823 1.00 15.00 C ATOM 224 CD LYS A 11 3.937 -9.103 0.666 1.00 15.00 C ATOM 225 CE LYS A 11 3.599 -9.267 -0.817 1.00 15.00 C ATOM 226 NZ LYS A 11 4.116 -10.615 -1.184 1.00 15.00 N ATOM 0 H LYS A 11 3.727 -6.180 -0.713 1.00 15.00 H new ATOM 0 HA LYS A 11 3.995 -5.190 2.048 1.00 15.00 H new ATOM 0 HB2 LYS A 11 5.753 -6.984 2.509 1.00 15.00 H new ATOM 0 HB3 LYS A 11 4.094 -7.543 2.590 1.00 15.00 H new ATOM 0 HG2 LYS A 11 5.372 -7.690 -0.120 1.00 15.00 H new ATOM 0 HG3 LYS A 11 6.032 -8.777 1.086 1.00 15.00 H new ATOM 0 HD2 LYS A 11 4.142 -10.077 1.111 1.00 15.00 H new ATOM 0 HD3 LYS A 11 3.084 -8.682 1.198 1.00 15.00 H new ATOM 0 HE2 LYS A 11 2.525 -9.197 -0.987 1.00 15.00 H new ATOM 0 HE3 LYS A 11 4.068 -8.488 -1.417 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 3.921 -10.800 -2.189 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 5.142 -10.650 -1.018 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 3.646 -11.337 -0.602 1.00 15.00 H new ATOM 240 N LYS A 12 5.176 -4.260 -0.334 1.00 15.00 N ATOM 241 CA LYS A 12 6.183 -3.541 -1.162 1.00 15.00 C ATOM 242 C LYS A 12 7.514 -3.325 -0.415 1.00 15.00 C ATOM 243 O LYS A 12 7.651 -2.321 0.261 1.00 15.00 O ATOM 244 CB LYS A 12 5.509 -2.209 -1.540 1.00 15.00 C ATOM 245 CG LYS A 12 5.390 -1.247 -0.340 1.00 15.00 C ATOM 246 CD LYS A 12 5.005 -1.994 0.943 1.00 15.00 C ATOM 247 CE LYS A 12 4.941 -1.002 2.108 1.00 15.00 C ATOM 248 NZ LYS A 12 5.335 -1.792 3.307 1.00 15.00 N ATOM 249 OXT LYS A 12 8.377 -4.179 -0.540 1.00 15.00 O ATOM 0 H LYS A 12 4.210 -3.986 -0.514 1.00 15.00 H new ATOM 0 HA LYS A 12 6.461 -4.120 -2.043 1.00 15.00 H new ATOM 0 HB2 LYS A 12 6.082 -1.727 -2.332 1.00 15.00 H new ATOM 0 HB3 LYS A 12 4.516 -2.409 -1.941 1.00 15.00 H new ATOM 0 HG2 LYS A 12 6.338 -0.730 -0.191 1.00 15.00 H new ATOM 0 HG3 LYS A 12 4.642 -0.484 -0.557 1.00 15.00 H new ATOM 0 HD2 LYS A 12 4.040 -2.485 0.816 1.00 15.00 H new ATOM 0 HD3 LYS A 12 5.735 -2.775 1.155 1.00 15.00 H new ATOM 0 HE2 LYS A 12 5.617 -0.162 1.949 1.00 15.00 H new ATOM 0 HE3 LYS A 12 3.939 -0.588 2.220 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 4.579 -1.743 4.019 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 5.489 -2.784 3.034 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 6.213 -1.402 3.706 1.00 15.00 H new TER 263 LYS A 12