USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=2 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= -0.406 X(o=-0.41,f=-0.2) USER MOD Single : A 4 LYS NZ :NH3+ -138:sc=-0.00842 (180deg=-0.207) 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+ 153:sc= 0.505 (180deg=0.0823) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.997 7.762 -4.886 1.00 15.00 N ATOM 2 CA ARG A 1 2.280 9.000 -4.462 1.00 15.00 C ATOM 3 C ARG A 1 1.503 8.743 -3.167 1.00 15.00 C ATOM 4 O ARG A 1 1.674 9.438 -2.185 1.00 15.00 O ATOM 5 CB ARG A 1 1.322 9.316 -5.611 1.00 15.00 C ATOM 6 CG ARG A 1 0.801 10.743 -5.467 1.00 15.00 C ATOM 7 CD ARG A 1 1.906 11.721 -5.839 1.00 15.00 C ATOM 8 NE ARG A 1 1.908 11.762 -7.329 1.00 15.00 N ATOM 9 CZ ARG A 1 2.754 12.531 -7.958 1.00 15.00 C ATOM 10 NH1 ARG A 1 3.992 12.149 -8.117 1.00 15.00 N ATOM 11 NH2 ARG A 1 2.362 13.684 -8.429 1.00 15.00 N ATOM 0 H1 ARG A 1 3.521 7.948 -5.765 1.00 15.00 H new ATOM 0 H2 ARG A 1 3.663 7.474 -4.141 1.00 15.00 H new ATOM 0 H3 ARG A 1 2.308 7.000 -5.048 1.00 15.00 H new ATOM 0 HA ARG A 1 2.963 9.826 -4.263 1.00 15.00 H new ATOM 0 HB2 ARG A 1 1.834 9.200 -6.566 1.00 15.00 H new ATOM 0 HB3 ARG A 1 0.490 8.612 -5.607 1.00 15.00 H new ATOM 0 HG2 ARG A 1 -0.065 10.893 -6.111 1.00 15.00 H new ATOM 0 HG3 ARG A 1 0.472 10.921 -4.443 1.00 15.00 H new ATOM 0 HD2 ARG A 1 1.716 12.708 -5.418 1.00 15.00 H new ATOM 0 HD3 ARG A 1 2.870 11.391 -5.453 1.00 15.00 H new ATOM 0 HE ARG A 1 1.249 11.190 -7.856 1.00 15.00 H new ATOM 0 HH11 ARG A 1 4.299 11.248 -7.749 1.00 15.00 H new ATOM 0 HH12 ARG A 1 4.652 12.751 -8.609 1.00 15.00 H new ATOM 0 HH21 ARG A 1 1.395 13.983 -8.305 1.00 15.00 H new ATOM 0 HH22 ARG A 1 3.023 14.285 -8.921 1.00 15.00 H new ATOM 27 N GLN A 2 0.655 7.750 -3.159 1.00 15.00 N ATOM 28 CA GLN A 2 -0.129 7.447 -1.925 1.00 15.00 C ATOM 29 C GLN A 2 0.463 6.235 -1.210 1.00 15.00 C ATOM 30 O GLN A 2 0.691 6.261 -0.020 1.00 15.00 O ATOM 31 CB GLN A 2 -1.546 7.148 -2.415 1.00 15.00 C ATOM 32 CG GLN A 2 -2.416 8.393 -2.244 1.00 15.00 C ATOM 33 CD GLN A 2 -1.941 9.485 -3.202 1.00 15.00 C ATOM 34 OE1 GLN A 2 -2.003 9.324 -4.404 1.00 15.00 O ATOM 35 NE2 GLN A 2 -1.463 10.598 -2.717 1.00 15.00 N ATOM 0 H GLN A 2 0.471 7.136 -3.952 1.00 15.00 H new ATOM 0 HA GLN A 2 -0.114 8.272 -1.213 1.00 15.00 H new ATOM 0 HB2 GLN A 2 -1.524 6.847 -3.462 1.00 15.00 H new ATOM 0 HB3 GLN A 2 -1.969 6.315 -1.853 1.00 15.00 H new ATOM 0 HG2 GLN A 2 -3.460 8.150 -2.442 1.00 15.00 H new ATOM 0 HG3 GLN A 2 -2.362 8.749 -1.215 1.00 15.00 H new ATOM 0 HE21 GLN A 2 -1.411 10.734 -1.707 1.00 15.00 H new ATOM 0 HE22 GLN A 2 -1.142 11.333 -3.347 1.00 15.00 H new ATOM 44 N ILE A 3 0.737 5.188 -1.938 1.00 15.00 N ATOM 45 CA ILE A 3 1.340 3.969 -1.350 1.00 15.00 C ATOM 46 C ILE A 3 0.768 3.615 0.039 1.00 15.00 C ATOM 47 O ILE A 3 1.479 3.191 0.927 1.00 15.00 O ATOM 48 CB ILE A 3 2.829 4.297 -1.319 1.00 15.00 C ATOM 49 CG1 ILE A 3 3.588 3.012 -1.592 1.00 15.00 C ATOM 50 CG2 ILE A 3 3.263 4.904 0.024 1.00 15.00 C ATOM 51 CD1 ILE A 3 3.260 1.997 -0.498 1.00 15.00 C ATOM 0 H ILE A 3 0.562 5.130 -2.941 1.00 15.00 H new ATOM 0 HA ILE A 3 1.120 3.073 -1.930 1.00 15.00 H new ATOM 0 HB ILE A 3 3.047 5.048 -2.078 1.00 15.00 H new ATOM 0 HG12 ILE A 3 3.314 2.614 -2.569 1.00 15.00 H new ATOM 0 HG13 ILE A 3 4.660 3.206 -1.616 1.00 15.00 H new ATOM 0 HG21 ILE A 3 4.331 5.120 -0.003 1.00 15.00 H new ATOM 0 HG22 ILE A 3 2.710 5.826 0.202 1.00 15.00 H new ATOM 0 HG23 ILE A 3 3.056 4.196 0.827 1.00 15.00 H new ATOM 0 HD11 ILE A 3 3.802 1.070 -0.687 1.00 15.00 H new ATOM 0 HD12 ILE A 3 3.555 2.399 0.471 1.00 15.00 H new ATOM 0 HD13 ILE A 3 2.189 1.797 -0.497 1.00 15.00 H new ATOM 63 N LYS A 4 -0.511 3.763 0.225 1.00 15.00 N ATOM 64 CA LYS A 4 -1.109 3.406 1.535 1.00 15.00 C ATOM 65 C LYS A 4 -2.047 2.217 1.353 1.00 15.00 C ATOM 66 O LYS A 4 -1.977 1.242 2.077 1.00 15.00 O ATOM 67 CB LYS A 4 -1.848 4.659 1.969 1.00 15.00 C ATOM 68 CG LYS A 4 -0.841 5.788 2.088 1.00 15.00 C ATOM 69 CD LYS A 4 -0.993 6.481 3.442 1.00 15.00 C ATOM 70 CE LYS A 4 -0.285 7.837 3.405 1.00 15.00 C ATOM 71 NZ LYS A 4 -1.246 8.754 2.732 1.00 15.00 N ATOM 0 H LYS A 4 -1.166 4.115 -0.473 1.00 15.00 H new ATOM 0 HA LYS A 4 -0.377 3.106 2.285 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.621 4.914 1.244 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -2.348 4.494 2.923 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.171 5.397 1.982 1.00 15.00 H new ATOM 0 HG3 LYS A 4 -0.991 6.507 1.283 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -2.049 6.617 3.676 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -0.569 5.859 4.230 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -0.045 8.185 4.410 1.00 15.00 H new ATOM 0 HE3 LYS A 4 0.654 7.777 2.856 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 -0.734 9.364 2.063 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -1.956 8.195 2.217 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -1.720 9.344 3.445 1.00 15.00 H new ATOM 85 N ILE A 5 -2.887 2.269 0.360 1.00 15.00 N ATOM 86 CA ILE A 5 -3.788 1.114 0.089 1.00 15.00 C ATOM 87 C ILE A 5 -2.949 0.009 -0.554 1.00 15.00 C ATOM 88 O ILE A 5 -3.341 -1.138 -0.630 1.00 15.00 O ATOM 89 CB ILE A 5 -4.843 1.641 -0.890 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.406 2.977 -0.393 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.981 0.626 -1.007 1.00 15.00 C ATOM 92 CD1 ILE A 5 -5.657 2.911 1.115 1.00 15.00 C ATOM 0 H ILE A 5 -2.990 3.060 -0.276 1.00 15.00 H new ATOM 0 HA ILE A 5 -4.262 0.710 0.983 1.00 15.00 H new ATOM 0 HB ILE A 5 -4.378 1.790 -1.864 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -4.707 3.782 -0.619 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -6.335 3.206 -0.915 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.732 1.000 -1.703 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.587 -0.322 -1.373 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -6.437 0.476 -0.028 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -6.057 3.865 1.459 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -6.373 2.118 1.330 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -4.720 2.703 1.631 1.00 15.00 H new ATOM 104 N TRP A 6 -1.776 0.372 -0.999 1.00 15.00 N ATOM 105 CA TRP A 6 -0.846 -0.603 -1.630 1.00 15.00 C ATOM 106 C TRP A 6 -0.043 -1.280 -0.549 1.00 15.00 C ATOM 107 O TRP A 6 -0.015 -2.488 -0.415 1.00 15.00 O ATOM 108 CB TRP A 6 0.088 0.256 -2.476 1.00 15.00 C ATOM 109 CG TRP A 6 -0.654 0.806 -3.625 1.00 15.00 C ATOM 110 CD1 TRP A 6 -0.650 0.259 -4.834 1.00 15.00 C ATOM 111 CD2 TRP A 6 -1.491 1.985 -3.699 1.00 15.00 C ATOM 112 NE1 TRP A 6 -1.441 1.012 -5.675 1.00 15.00 N ATOM 113 CE2 TRP A 6 -1.985 2.095 -5.017 1.00 15.00 C ATOM 114 CE3 TRP A 6 -1.867 2.956 -2.762 1.00 15.00 C ATOM 115 CZ2 TRP A 6 -2.826 3.134 -5.396 1.00 15.00 C ATOM 116 CZ3 TRP A 6 -2.717 4.010 -3.137 1.00 15.00 C ATOM 117 CH2 TRP A 6 -3.197 4.097 -4.454 1.00 15.00 C ATOM 0 H TRP A 6 -1.418 1.326 -0.949 1.00 15.00 H new ATOM 0 HA TRP A 6 -1.362 -1.366 -2.212 1.00 15.00 H new ATOM 0 HB2 TRP A 6 0.499 1.066 -1.874 1.00 15.00 H new ATOM 0 HB3 TRP A 6 0.931 -0.340 -2.826 1.00 15.00 H new ATOM 0 HD1 TRP A 6 -0.112 -0.635 -5.115 1.00 15.00 H new ATOM 0 HE1 TRP A 6 -1.603 0.796 -6.659 1.00 15.00 H new ATOM 0 HE3 TRP A 6 -1.502 2.894 -1.747 1.00 15.00 H new ATOM 0 HZ2 TRP A 6 -3.190 3.197 -6.411 1.00 15.00 H new ATOM 0 HZ3 TRP A 6 -3.002 4.756 -2.410 1.00 15.00 H new ATOM 0 HH2 TRP A 6 -3.852 4.907 -4.738 1.00 15.00 H new ATOM 128 N PHE A 7 0.593 -0.477 0.238 1.00 15.00 N ATOM 129 CA PHE A 7 1.408 -1.001 1.374 1.00 15.00 C ATOM 130 C PHE A 7 0.569 -1.996 2.182 1.00 15.00 C ATOM 131 O PHE A 7 1.083 -2.811 2.922 1.00 15.00 O ATOM 132 CB PHE A 7 1.725 0.238 2.221 1.00 15.00 C ATOM 133 CG PHE A 7 2.448 -0.172 3.483 1.00 15.00 C ATOM 134 CD1 PHE A 7 1.723 -0.660 4.576 1.00 15.00 C ATOM 135 CD2 PHE A 7 3.841 -0.060 3.561 1.00 15.00 C ATOM 136 CE1 PHE A 7 2.391 -1.039 5.747 1.00 15.00 C ATOM 137 CE2 PHE A 7 4.510 -0.437 4.732 1.00 15.00 C ATOM 138 CZ PHE A 7 3.784 -0.927 5.825 1.00 15.00 C ATOM 0 H PHE A 7 0.589 0.539 0.149 1.00 15.00 H new ATOM 0 HA PHE A 7 2.310 -1.519 1.050 1.00 15.00 H new ATOM 0 HB2 PHE A 7 2.340 0.933 1.649 1.00 15.00 H new ATOM 0 HB3 PHE A 7 0.803 0.762 2.474 1.00 15.00 H new ATOM 0 HD1 PHE A 7 0.648 -0.744 4.516 1.00 15.00 H new ATOM 0 HD2 PHE A 7 4.400 0.317 2.718 1.00 15.00 H new ATOM 0 HE1 PHE A 7 1.831 -1.418 6.590 1.00 15.00 H new ATOM 0 HE2 PHE A 7 5.585 -0.350 4.792 1.00 15.00 H new ATOM 0 HZ PHE A 7 4.299 -1.219 6.728 1.00 15.00 H new ATOM 148 N ARG A 8 -0.725 -1.906 2.051 1.00 15.00 N ATOM 149 CA ARG A 8 -1.633 -2.797 2.798 1.00 15.00 C ATOM 150 C ARG A 8 -2.054 -4.008 1.955 1.00 15.00 C ATOM 151 O ARG A 8 -2.611 -4.960 2.464 1.00 15.00 O ATOM 152 CB ARG A 8 -2.817 -1.890 3.068 1.00 15.00 C ATOM 153 CG ARG A 8 -3.508 -2.327 4.348 1.00 15.00 C ATOM 154 CD ARG A 8 -2.552 -2.056 5.506 1.00 15.00 C ATOM 155 NE ARG A 8 -3.299 -1.155 6.426 1.00 15.00 N ATOM 156 CZ ARG A 8 -3.372 -1.437 7.698 1.00 15.00 C ATOM 157 NH1 ARG A 8 -2.398 -1.098 8.498 1.00 15.00 N ATOM 158 NH2 ARG A 8 -4.419 -2.058 8.170 1.00 15.00 N ATOM 0 H ARG A 8 -1.194 -1.235 1.442 1.00 15.00 H new ATOM 0 HA ARG A 8 -1.183 -3.220 3.696 1.00 15.00 H new ATOM 0 HB2 ARG A 8 -2.484 -0.856 3.157 1.00 15.00 H new ATOM 0 HB3 ARG A 8 -3.516 -1.929 2.233 1.00 15.00 H new ATOM 0 HG2 ARG A 8 -4.440 -1.780 4.486 1.00 15.00 H new ATOM 0 HG3 ARG A 8 -3.764 -3.386 4.303 1.00 15.00 H new ATOM 0 HD2 ARG A 8 -2.267 -2.982 6.006 1.00 15.00 H new ATOM 0 HD3 ARG A 8 -1.632 -1.587 5.156 1.00 15.00 H new ATOM 0 HE ARG A 8 -3.754 -0.318 6.062 1.00 15.00 H new ATOM 0 HH11 ARG A 8 -1.580 -0.613 8.129 1.00 15.00 H new ATOM 0 HH12 ARG A 8 -2.455 -1.318 9.492 1.00 15.00 H new ATOM 0 HH21 ARG A 8 -5.180 -2.323 7.544 1.00 15.00 H new ATOM 0 HH22 ARG A 8 -4.476 -2.278 9.164 1.00 15.00 H new ATOM 172 N LYS A 9 -1.806 -3.975 0.672 1.00 15.00 N ATOM 173 CA LYS A 9 -2.207 -5.122 -0.195 1.00 15.00 C ATOM 174 C LYS A 9 -1.110 -6.187 -0.227 1.00 15.00 C ATOM 175 O LYS A 9 -1.298 -7.296 0.234 1.00 15.00 O ATOM 176 CB LYS A 9 -2.402 -4.515 -1.585 1.00 15.00 C ATOM 177 CG LYS A 9 -3.892 -4.280 -1.838 1.00 15.00 C ATOM 178 CD LYS A 9 -4.596 -5.624 -2.036 1.00 15.00 C ATOM 179 CE LYS A 9 -6.105 -5.397 -2.158 1.00 15.00 C ATOM 180 NZ LYS A 9 -6.726 -6.568 -1.480 1.00 15.00 N ATOM 0 H LYS A 9 -1.344 -3.205 0.188 1.00 15.00 H new ATOM 0 HA LYS A 9 -3.108 -5.614 0.171 1.00 15.00 H new ATOM 0 HB2 LYS A 9 -1.857 -3.574 -1.662 1.00 15.00 H new ATOM 0 HB3 LYS A 9 -1.995 -5.182 -2.345 1.00 15.00 H new ATOM 0 HG2 LYS A 9 -4.335 -3.746 -0.997 1.00 15.00 H new ATOM 0 HG3 LYS A 9 -4.027 -3.653 -2.720 1.00 15.00 H new ATOM 0 HD2 LYS A 9 -4.218 -6.116 -2.932 1.00 15.00 H new ATOM 0 HD3 LYS A 9 -4.384 -6.285 -1.196 1.00 15.00 H new ATOM 0 HE2 LYS A 9 -6.403 -4.462 -1.684 1.00 15.00 H new ATOM 0 HE3 LYS A 9 -6.412 -5.337 -3.202 1.00 15.00 H new ATOM 0 HZ1 LYS A 9 -7.762 -6.484 -1.522 1.00 15.00 H new ATOM 0 HZ2 LYS A 9 -6.430 -7.443 -1.957 1.00 15.00 H new ATOM 0 HZ3 LYS A 9 -6.421 -6.596 -0.486 1.00 15.00 H new ATOM 194 N TRP A 10 0.030 -5.867 -0.777 1.00 15.00 N ATOM 195 CA TRP A 10 1.130 -6.859 -0.852 1.00 15.00 C ATOM 196 C TRP A 10 1.966 -6.812 0.438 1.00 15.00 C ATOM 197 O TRP A 10 1.487 -7.135 1.507 1.00 15.00 O ATOM 198 CB TRP A 10 1.951 -6.420 -2.073 1.00 15.00 C ATOM 199 CG TRP A 10 1.046 -6.058 -3.209 1.00 15.00 C ATOM 200 CD1 TRP A 10 1.273 -5.052 -4.075 1.00 15.00 C ATOM 201 CD2 TRP A 10 -0.217 -6.663 -3.610 1.00 15.00 C ATOM 202 NE1 TRP A 10 0.234 -5.010 -4.986 1.00 15.00 N ATOM 203 CE2 TRP A 10 -0.706 -5.979 -4.741 1.00 15.00 C ATOM 204 CE3 TRP A 10 -0.970 -7.725 -3.109 1.00 15.00 C ATOM 205 CZ2 TRP A 10 -1.906 -6.341 -5.356 1.00 15.00 C ATOM 206 CZ3 TRP A 10 -2.180 -8.097 -3.717 1.00 15.00 C ATOM 207 CH2 TRP A 10 -2.647 -7.405 -4.841 1.00 15.00 C ATOM 0 H TRP A 10 0.244 -4.954 -1.179 1.00 15.00 H new ATOM 0 HA TRP A 10 0.779 -7.886 -0.950 1.00 15.00 H new ATOM 0 HB2 TRP A 10 2.575 -5.566 -1.811 1.00 15.00 H new ATOM 0 HB3 TRP A 10 2.622 -7.224 -2.376 1.00 15.00 H new ATOM 0 HD1 TRP A 10 2.125 -4.388 -4.060 1.00 15.00 H new ATOM 0 HE1 TRP A 10 0.173 -4.338 -5.751 1.00 15.00 H new ATOM 0 HE3 TRP A 10 -0.618 -8.267 -2.244 1.00 15.00 H new ATOM 0 HZ2 TRP A 10 -2.258 -5.802 -6.223 1.00 15.00 H new ATOM 0 HZ3 TRP A 10 -2.753 -8.920 -3.316 1.00 15.00 H new ATOM 0 HH2 TRP A 10 -3.577 -7.694 -5.308 1.00 15.00 H new ATOM 218 N LYS A 11 3.206 -6.409 0.347 1.00 15.00 N ATOM 219 CA LYS A 11 4.074 -6.330 1.554 1.00 15.00 C ATOM 220 C LYS A 11 5.344 -5.581 1.176 1.00 15.00 C ATOM 221 O LYS A 11 6.418 -5.869 1.664 1.00 15.00 O ATOM 222 CB LYS A 11 4.399 -7.771 1.945 1.00 15.00 C ATOM 223 CG LYS A 11 4.947 -8.521 0.733 1.00 15.00 C ATOM 224 CD LYS A 11 3.812 -9.314 0.093 1.00 15.00 C ATOM 225 CE LYS A 11 3.869 -9.162 -1.428 1.00 15.00 C ATOM 226 NZ LYS A 11 4.783 -10.245 -1.888 1.00 15.00 N ATOM 0 H LYS A 11 3.658 -6.128 -0.523 1.00 15.00 H new ATOM 0 HA LYS A 11 3.595 -5.810 2.383 1.00 15.00 H new ATOM 0 HB2 LYS A 11 5.130 -7.783 2.753 1.00 15.00 H new ATOM 0 HB3 LYS A 11 3.503 -8.268 2.318 1.00 15.00 H new ATOM 0 HG2 LYS A 11 5.370 -7.819 0.014 1.00 15.00 H new ATOM 0 HG3 LYS A 11 5.752 -9.191 1.036 1.00 15.00 H new ATOM 0 HD2 LYS A 11 3.892 -10.366 0.366 1.00 15.00 H new ATOM 0 HD3 LYS A 11 2.852 -8.960 0.468 1.00 15.00 H new ATOM 0 HE2 LYS A 11 2.879 -9.265 -1.873 1.00 15.00 H new ATOM 0 HE3 LYS A 11 4.246 -8.180 -1.713 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 4.873 -10.207 -2.923 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 5.719 -10.117 -1.454 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 4.395 -11.169 -1.608 1.00 15.00 H new ATOM 240 N LYS A 12 5.205 -4.635 0.277 1.00 15.00 N ATOM 241 CA LYS A 12 6.359 -3.825 -0.226 1.00 15.00 C ATOM 242 C LYS A 12 7.717 -4.436 0.158 1.00 15.00 C ATOM 243 O LYS A 12 7.967 -5.564 -0.234 1.00 15.00 O ATOM 244 CB LYS A 12 6.197 -2.411 0.368 1.00 15.00 C ATOM 245 CG LYS A 12 5.402 -2.445 1.681 1.00 15.00 C ATOM 246 CD LYS A 12 6.204 -3.192 2.745 1.00 15.00 C ATOM 247 CE LYS A 12 7.061 -2.198 3.533 1.00 15.00 C ATOM 248 NZ LYS A 12 6.903 -2.598 4.960 1.00 15.00 N ATOM 249 OXT LYS A 12 8.482 -3.765 0.834 1.00 15.00 O ATOM 0 H LYS A 12 4.309 -4.384 -0.141 1.00 15.00 H new ATOM 0 HA LYS A 12 6.351 -3.801 -1.316 1.00 15.00 H new ATOM 0 HB2 LYS A 12 7.180 -1.975 0.547 1.00 15.00 H new ATOM 0 HB3 LYS A 12 5.689 -1.768 -0.351 1.00 15.00 H new ATOM 0 HG2 LYS A 12 5.190 -1.430 2.016 1.00 15.00 H new ATOM 0 HG3 LYS A 12 4.441 -2.935 1.524 1.00 15.00 H new ATOM 0 HD2 LYS A 12 5.530 -3.721 3.419 1.00 15.00 H new ATOM 0 HD3 LYS A 12 6.839 -3.943 2.276 1.00 15.00 H new ATOM 0 HE2 LYS A 12 8.105 -2.245 3.223 1.00 15.00 H new ATOM 0 HE3 LYS A 12 6.726 -1.173 3.371 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 7.748 -2.313 5.496 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 6.065 -2.131 5.361 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 6.786 -3.630 5.020 1.00 15.00 H new TER 263 LYS A 12