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= -0.0981 X(o=-0.098,f=-0.36) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -126:sc=-0.00555 (180deg=-0.323) 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 2.651 8.783 -5.127 1.00 15.00 N ATOM 2 CA ARG A 1 3.350 7.867 -4.180 1.00 15.00 C ATOM 3 C ARG A 1 2.526 7.706 -2.900 1.00 15.00 C ATOM 4 O ARG A 1 2.959 8.058 -1.820 1.00 15.00 O ATOM 5 CB ARG A 1 4.689 8.551 -3.884 1.00 15.00 C ATOM 6 CG ARG A 1 5.830 7.754 -4.505 1.00 15.00 C ATOM 7 CD ARG A 1 6.450 6.831 -3.456 1.00 15.00 C ATOM 8 NE ARG A 1 5.508 5.687 -3.340 1.00 15.00 N ATOM 9 CZ ARG A 1 5.950 4.506 -3.001 1.00 15.00 C ATOM 10 NH1 ARG A 1 6.914 4.394 -2.127 1.00 15.00 N ATOM 11 NH2 ARG A 1 5.428 3.437 -3.537 1.00 15.00 N ATOM 0 H1 ARG A 1 3.218 8.886 -5.993 1.00 15.00 H new ATOM 0 H2 ARG A 1 1.720 8.388 -5.368 1.00 15.00 H new ATOM 0 H3 ARG A 1 2.527 9.715 -4.681 1.00 15.00 H new ATOM 0 HA ARG A 1 3.489 6.868 -4.593 1.00 15.00 H new ATOM 0 HB2 ARG A 1 4.684 9.566 -4.282 1.00 15.00 H new ATOM 0 HB3 ARG A 1 4.835 8.632 -2.807 1.00 15.00 H new ATOM 0 HG2 ARG A 1 5.460 7.167 -5.346 1.00 15.00 H new ATOM 0 HG3 ARG A 1 6.587 8.432 -4.899 1.00 15.00 H new ATOM 0 HD2 ARG A 1 7.441 6.496 -3.762 1.00 15.00 H new ATOM 0 HD3 ARG A 1 6.568 7.343 -2.501 1.00 15.00 H new ATOM 0 HE ARG A 1 4.515 5.825 -3.526 1.00 15.00 H new ATOM 0 HH11 ARG A 1 7.322 5.230 -1.708 1.00 15.00 H new ATOM 0 HH12 ARG A 1 7.258 3.471 -1.863 1.00 15.00 H new ATOM 0 HH21 ARG A 1 4.676 3.524 -4.220 1.00 15.00 H new ATOM 0 HH22 ARG A 1 5.772 2.514 -3.273 1.00 15.00 H new ATOM 27 N GLN A 2 1.338 7.174 -3.014 1.00 15.00 N ATOM 28 CA GLN A 2 0.479 6.988 -1.807 1.00 15.00 C ATOM 29 C GLN A 2 0.953 5.786 -0.997 1.00 15.00 C ATOM 30 O GLN A 2 1.026 5.832 0.212 1.00 15.00 O ATOM 31 CB GLN A 2 -0.924 6.740 -2.353 1.00 15.00 C ATOM 32 CG GLN A 2 -1.740 8.028 -2.274 1.00 15.00 C ATOM 33 CD GLN A 2 -1.131 9.081 -3.199 1.00 15.00 C ATOM 34 OE1 GLN A 2 -0.860 8.811 -4.353 1.00 15.00 O ATOM 35 NE2 GLN A 2 -0.902 10.282 -2.740 1.00 15.00 N ATOM 0 H GLN A 2 0.924 6.860 -3.892 1.00 15.00 H new ATOM 0 HA GLN A 2 0.514 7.852 -1.143 1.00 15.00 H new ATOM 0 HB2 GLN A 2 -0.868 6.396 -3.386 1.00 15.00 H new ATOM 0 HB3 GLN A 2 -1.414 5.952 -1.781 1.00 15.00 H new ATOM 0 HG2 GLN A 2 -2.774 7.833 -2.560 1.00 15.00 H new ATOM 0 HG3 GLN A 2 -1.757 8.397 -1.248 1.00 15.00 H new ATOM 0 HE21 GLN A 2 -1.129 10.510 -1.772 1.00 15.00 H new ATOM 0 HE22 GLN A 2 -0.496 10.992 -3.350 1.00 15.00 H new ATOM 44 N ILE A 3 1.294 4.717 -1.666 1.00 15.00 N ATOM 45 CA ILE A 3 1.788 3.499 -0.982 1.00 15.00 C ATOM 46 C ILE A 3 1.030 3.198 0.325 1.00 15.00 C ATOM 47 O ILE A 3 1.602 2.769 1.307 1.00 15.00 O ATOM 48 CB ILE A 3 3.269 3.792 -0.766 1.00 15.00 C ATOM 49 CG1 ILE A 3 4.024 2.486 -0.920 1.00 15.00 C ATOM 50 CG2 ILE A 3 3.543 4.412 0.612 1.00 15.00 C ATOM 51 CD1 ILE A 3 3.539 1.501 0.145 1.00 15.00 C ATOM 0 H ILE A 3 1.248 4.641 -2.682 1.00 15.00 H new ATOM 0 HA ILE A 3 1.627 2.593 -1.567 1.00 15.00 H new ATOM 0 HB ILE A 3 3.601 4.524 -1.503 1.00 15.00 H new ATOM 0 HG12 ILE A 3 3.863 2.073 -1.916 1.00 15.00 H new ATOM 0 HG13 ILE A 3 5.096 2.656 -0.815 1.00 15.00 H new ATOM 0 HG21 ILE A 3 4.611 4.603 0.719 1.00 15.00 H new ATOM 0 HG22 ILE A 3 2.996 5.350 0.704 1.00 15.00 H new ATOM 0 HG23 ILE A 3 3.217 3.724 1.392 1.00 15.00 H new ATOM 0 HD11 ILE A 3 4.077 0.559 0.041 1.00 15.00 H new ATOM 0 HD12 ILE A 3 3.723 1.917 1.136 1.00 15.00 H new ATOM 0 HD13 ILE A 3 2.471 1.325 0.018 1.00 15.00 H new ATOM 63 N LYS A 4 -0.256 3.393 0.335 1.00 15.00 N ATOM 64 CA LYS A 4 -1.040 3.087 1.555 1.00 15.00 C ATOM 65 C LYS A 4 -2.016 1.957 1.245 1.00 15.00 C ATOM 66 O LYS A 4 -2.123 0.995 1.980 1.00 15.00 O ATOM 67 CB LYS A 4 -1.752 4.386 1.892 1.00 15.00 C ATOM 68 CG LYS A 4 -0.704 5.430 2.247 1.00 15.00 C ATOM 69 CD LYS A 4 -1.039 6.070 3.600 1.00 15.00 C ATOM 70 CE LYS A 4 0.016 5.668 4.635 1.00 15.00 C ATOM 71 NZ LYS A 4 -0.350 6.420 5.867 1.00 15.00 N ATOM 0 H LYS A 4 -0.797 3.752 -0.451 1.00 15.00 H new ATOM 0 HA LYS A 4 -0.434 2.752 2.396 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.350 4.722 1.045 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -2.437 4.237 2.727 1.00 15.00 H new ATOM 0 HG2 LYS A 4 0.282 4.968 2.288 1.00 15.00 H new ATOM 0 HG3 LYS A 4 -0.665 6.196 1.473 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.072 7.155 3.502 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.027 5.750 3.930 1.00 15.00 H new ATOM 0 HE2 LYS A 4 0.007 4.592 4.811 1.00 15.00 H new ATOM 0 HE3 LYS A 4 1.020 5.927 4.297 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 0.328 6.197 6.624 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 -0.326 7.441 5.670 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -1.307 6.148 6.168 1.00 15.00 H new ATOM 85 N ILE A 5 -2.679 2.036 0.125 1.00 15.00 N ATOM 86 CA ILE A 5 -3.593 0.931 -0.275 1.00 15.00 C ATOM 87 C ILE A 5 -2.709 -0.252 -0.652 1.00 15.00 C ATOM 88 O ILE A 5 -3.034 -1.402 -0.433 1.00 15.00 O ATOM 89 CB ILE A 5 -4.353 1.447 -1.498 1.00 15.00 C ATOM 90 CG1 ILE A 5 -5.065 2.752 -1.151 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.382 0.407 -1.942 1.00 15.00 C ATOM 92 CD1 ILE A 5 -5.284 3.558 -2.430 1.00 15.00 C ATOM 0 H ILE A 5 -2.627 2.817 -0.529 1.00 15.00 H new ATOM 0 HA ILE A 5 -4.291 0.627 0.505 1.00 15.00 H new ATOM 0 HB ILE A 5 -3.646 1.626 -2.308 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -6.021 2.543 -0.670 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -4.471 3.327 -0.441 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -5.922 0.778 -2.813 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -4.873 -0.522 -2.199 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -6.086 0.223 -1.131 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -5.792 4.492 -2.189 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -4.321 3.778 -2.891 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -5.895 2.981 -3.124 1.00 15.00 H new ATOM 104 N TRP A 6 -1.561 0.058 -1.194 1.00 15.00 N ATOM 105 CA TRP A 6 -0.580 -0.989 -1.576 1.00 15.00 C ATOM 106 C TRP A 6 -0.097 -1.673 -0.322 1.00 15.00 C ATOM 107 O TRP A 6 -0.230 -2.866 -0.135 1.00 15.00 O ATOM 108 CB TRP A 6 0.584 -0.217 -2.196 1.00 15.00 C ATOM 109 CG TRP A 6 0.184 0.328 -3.507 1.00 15.00 C ATOM 110 CD1 TRP A 6 0.396 -0.293 -4.661 1.00 15.00 C ATOM 111 CD2 TRP A 6 -0.471 1.582 -3.820 1.00 15.00 C ATOM 112 NE1 TRP A 6 -0.095 0.480 -5.691 1.00 15.00 N ATOM 113 CE2 TRP A 6 -0.642 1.655 -5.220 1.00 15.00 C ATOM 114 CE3 TRP A 6 -0.931 2.645 -3.034 1.00 15.00 C ATOM 115 CZ2 TRP A 6 -1.250 2.748 -5.824 1.00 15.00 C ATOM 116 CZ3 TRP A 6 -1.546 3.754 -3.637 1.00 15.00 C ATOM 117 CH2 TRP A 6 -1.706 3.805 -5.032 1.00 15.00 C ATOM 0 H TRP A 6 -1.260 1.013 -1.390 1.00 15.00 H new ATOM 0 HA TRP A 6 -0.996 -1.737 -2.251 1.00 15.00 H new ATOM 0 HB2 TRP A 6 0.888 0.593 -1.533 1.00 15.00 H new ATOM 0 HB3 TRP A 6 1.446 -0.874 -2.313 1.00 15.00 H new ATOM 0 HD1 TRP A 6 0.878 -1.253 -4.775 1.00 15.00 H new ATOM 0 HE1 TRP A 6 -0.058 0.217 -6.676 1.00 15.00 H new ATOM 0 HE3 TRP A 6 -0.813 2.612 -1.961 1.00 15.00 H new ATOM 0 HZ2 TRP A 6 -1.369 2.781 -6.897 1.00 15.00 H new ATOM 0 HZ3 TRP A 6 -1.898 4.572 -3.026 1.00 15.00 H new ATOM 0 HH2 TRP A 6 -2.181 4.660 -5.491 1.00 15.00 H new ATOM 128 N PHE A 7 0.440 -0.885 0.550 1.00 15.00 N ATOM 129 CA PHE A 7 0.936 -1.407 1.852 1.00 15.00 C ATOM 130 C PHE A 7 -0.165 -2.237 2.520 1.00 15.00 C ATOM 131 O PHE A 7 0.084 -3.036 3.401 1.00 15.00 O ATOM 132 CB PHE A 7 1.227 -0.147 2.672 1.00 15.00 C ATOM 133 CG PHE A 7 1.410 -0.508 4.126 1.00 15.00 C ATOM 134 CD1 PHE A 7 2.504 -1.285 4.521 1.00 15.00 C ATOM 135 CD2 PHE A 7 0.483 -0.066 5.078 1.00 15.00 C ATOM 136 CE1 PHE A 7 2.673 -1.621 5.870 1.00 15.00 C ATOM 137 CE2 PHE A 7 0.651 -0.402 6.426 1.00 15.00 C ATOM 138 CZ PHE A 7 1.748 -1.178 6.822 1.00 15.00 C ATOM 0 H PHE A 7 0.561 0.119 0.419 1.00 15.00 H new ATOM 0 HA PHE A 7 1.811 -2.049 1.754 1.00 15.00 H new ATOM 0 HB2 PHE A 7 2.125 0.343 2.295 1.00 15.00 H new ATOM 0 HB3 PHE A 7 0.407 0.563 2.566 1.00 15.00 H new ATOM 0 HD1 PHE A 7 3.218 -1.626 3.786 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -0.361 0.534 4.772 1.00 15.00 H new ATOM 0 HE1 PHE A 7 3.517 -2.222 6.175 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -0.065 -0.063 7.161 1.00 15.00 H new ATOM 0 HZ PHE A 7 1.880 -1.435 7.863 1.00 15.00 H new ATOM 148 N ARG A 8 -1.383 -2.030 2.105 1.00 15.00 N ATOM 149 CA ARG A 8 -2.521 -2.762 2.693 1.00 15.00 C ATOM 150 C ARG A 8 -2.718 -4.120 2.009 1.00 15.00 C ATOM 151 O ARG A 8 -3.440 -4.969 2.496 1.00 15.00 O ATOM 152 CB ARG A 8 -3.685 -1.832 2.415 1.00 15.00 C ATOM 153 CG ARG A 8 -4.770 -2.046 3.457 1.00 15.00 C ATOM 154 CD ARG A 8 -4.240 -1.548 4.799 1.00 15.00 C ATOM 155 NE ARG A 8 -5.177 -0.468 5.216 1.00 15.00 N ATOM 156 CZ ARG A 8 -5.204 -0.069 6.458 1.00 15.00 C ATOM 157 NH1 ARG A 8 -5.868 -0.753 7.350 1.00 15.00 N ATOM 158 NH2 ARG A 8 -4.566 1.014 6.810 1.00 15.00 N ATOM 0 H ARG A 8 -1.635 -1.370 1.369 1.00 15.00 H new ATOM 0 HA ARG A 8 -2.392 -2.992 3.751 1.00 15.00 H new ATOM 0 HB2 ARG A 8 -3.348 -0.796 2.434 1.00 15.00 H new ATOM 0 HB3 ARG A 8 -4.083 -2.019 1.418 1.00 15.00 H new ATOM 0 HG2 ARG A 8 -5.676 -1.506 3.181 1.00 15.00 H new ATOM 0 HG3 ARG A 8 -5.035 -3.101 3.520 1.00 15.00 H new ATOM 0 HD2 ARG A 8 -4.214 -2.352 5.534 1.00 15.00 H new ATOM 0 HD3 ARG A 8 -3.222 -1.170 4.704 1.00 15.00 H new ATOM 0 HE ARG A 8 -5.798 -0.040 4.530 1.00 15.00 H new ATOM 0 HH11 ARG A 8 -6.366 -1.600 7.076 1.00 15.00 H new ATOM 0 HH12 ARG A 8 -5.889 -0.440 8.321 1.00 15.00 H new ATOM 0 HH21 ARG A 8 -4.046 1.549 6.114 1.00 15.00 H new ATOM 0 HH22 ARG A 8 -4.587 1.326 7.781 1.00 15.00 H new ATOM 172 N LYS A 9 -2.081 -4.335 0.887 1.00 15.00 N ATOM 173 CA LYS A 9 -2.234 -5.639 0.180 1.00 15.00 C ATOM 174 C LYS A 9 -0.949 -6.461 0.313 1.00 15.00 C ATOM 175 O LYS A 9 -0.877 -7.396 1.086 1.00 15.00 O ATOM 176 CB LYS A 9 -2.492 -5.271 -1.282 1.00 15.00 C ATOM 177 CG LYS A 9 -3.998 -5.226 -1.543 1.00 15.00 C ATOM 178 CD LYS A 9 -4.572 -6.642 -1.480 1.00 15.00 C ATOM 179 CE LYS A 9 -6.060 -6.606 -1.839 1.00 15.00 C ATOM 180 NZ LYS A 9 -6.093 -6.480 -3.323 1.00 15.00 N ATOM 0 H LYS A 9 -1.462 -3.664 0.431 1.00 15.00 H new ATOM 0 HA LYS A 9 -3.042 -6.243 0.593 1.00 15.00 H new ATOM 0 HB2 LYS A 9 -2.045 -4.303 -1.508 1.00 15.00 H new ATOM 0 HB3 LYS A 9 -2.021 -6.001 -1.940 1.00 15.00 H new ATOM 0 HG2 LYS A 9 -4.487 -4.591 -0.804 1.00 15.00 H new ATOM 0 HG3 LYS A 9 -4.195 -4.786 -2.521 1.00 15.00 H new ATOM 0 HD2 LYS A 9 -4.036 -7.294 -2.170 1.00 15.00 H new ATOM 0 HD3 LYS A 9 -4.438 -7.056 -0.481 1.00 15.00 H new ATOM 0 HE2 LYS A 9 -6.568 -7.512 -1.508 1.00 15.00 H new ATOM 0 HE3 LYS A 9 -6.562 -5.765 -1.360 1.00 15.00 H new ATOM 0 HZ1 LYS A 9 -6.674 -5.659 -3.589 1.00 15.00 H new ATOM 0 HZ2 LYS A 9 -5.126 -6.350 -3.682 1.00 15.00 H new ATOM 0 HZ3 LYS A 9 -6.503 -7.342 -3.736 1.00 15.00 H new ATOM 194 N TRP A 10 0.067 -6.118 -0.435 1.00 15.00 N ATOM 195 CA TRP A 10 1.344 -6.868 -0.360 1.00 15.00 C ATOM 196 C TRP A 10 2.256 -6.214 0.693 1.00 15.00 C ATOM 197 O TRP A 10 1.942 -6.184 1.867 1.00 15.00 O ATOM 198 CB TRP A 10 1.939 -6.733 -1.769 1.00 15.00 C ATOM 199 CG TRP A 10 0.881 -6.883 -2.812 1.00 15.00 C ATOM 200 CD1 TRP A 10 0.830 -6.167 -3.950 1.00 15.00 C ATOM 201 CD2 TRP A 10 -0.272 -7.769 -2.835 1.00 15.00 C ATOM 202 NE1 TRP A 10 -0.277 -6.566 -4.675 1.00 15.00 N ATOM 203 CE2 TRP A 10 -0.987 -7.550 -4.029 1.00 15.00 C ATOM 204 CE3 TRP A 10 -0.756 -8.729 -1.946 1.00 15.00 C ATOM 205 CZ2 TRP A 10 -2.148 -8.263 -4.332 1.00 15.00 C ATOM 206 CZ3 TRP A 10 -1.922 -9.454 -2.238 1.00 15.00 C ATOM 207 CH2 TRP A 10 -2.617 -9.221 -3.432 1.00 15.00 C ATOM 0 H TRP A 10 0.061 -5.343 -1.098 1.00 15.00 H new ATOM 0 HA TRP A 10 1.222 -7.911 -0.069 1.00 15.00 H new ATOM 0 HB2 TRP A 10 2.422 -5.761 -1.872 1.00 15.00 H new ATOM 0 HB3 TRP A 10 2.710 -7.489 -1.916 1.00 15.00 H new ATOM 0 HD1 TRP A 10 1.537 -5.407 -4.248 1.00 15.00 H new ATOM 0 HE1 TRP A 10 -0.536 -6.177 -5.581 1.00 15.00 H new ATOM 0 HE3 TRP A 10 -0.228 -8.916 -1.023 1.00 15.00 H new ATOM 0 HZ2 TRP A 10 -2.678 -8.075 -5.254 1.00 15.00 H new ATOM 0 HZ3 TRP A 10 -2.285 -10.194 -1.540 1.00 15.00 H new ATOM 0 HH2 TRP A 10 -3.513 -9.781 -3.655 1.00 15.00 H new ATOM 218 N LYS A 11 3.368 -5.670 0.275 1.00 15.00 N ATOM 219 CA LYS A 11 4.299 -4.990 1.210 1.00 15.00 C ATOM 220 C LYS A 11 5.147 -4.050 0.367 1.00 15.00 C ATOM 221 O LYS A 11 6.331 -3.885 0.584 1.00 15.00 O ATOM 222 CB LYS A 11 5.161 -6.086 1.841 1.00 15.00 C ATOM 223 CG LYS A 11 5.659 -7.041 0.759 1.00 15.00 C ATOM 224 CD LYS A 11 4.737 -8.257 0.707 1.00 15.00 C ATOM 225 CE LYS A 11 4.506 -8.667 -0.750 1.00 15.00 C ATOM 226 NZ LYS A 11 5.464 -9.783 -0.993 1.00 15.00 N ATOM 0 H LYS A 11 3.673 -5.671 -0.698 1.00 15.00 H new ATOM 0 HA LYS A 11 3.797 -4.424 1.995 1.00 15.00 H new ATOM 0 HB2 LYS A 11 6.008 -5.640 2.363 1.00 15.00 H new ATOM 0 HB3 LYS A 11 4.582 -6.634 2.584 1.00 15.00 H new ATOM 0 HG2 LYS A 11 5.675 -6.539 -0.208 1.00 15.00 H new ATOM 0 HG3 LYS A 11 6.681 -7.352 0.973 1.00 15.00 H new ATOM 0 HD2 LYS A 11 5.179 -9.084 1.262 1.00 15.00 H new ATOM 0 HD3 LYS A 11 3.785 -8.025 1.185 1.00 15.00 H new ATOM 0 HE2 LYS A 11 3.477 -8.988 -0.911 1.00 15.00 H new ATOM 0 HE3 LYS A 11 4.690 -7.834 -1.428 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 5.365 -10.118 -1.973 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 6.436 -9.446 -0.839 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 5.260 -10.564 -0.338 1.00 15.00 H new ATOM 240 N LYS A 12 4.529 -3.471 -0.632 1.00 15.00 N ATOM 241 CA LYS A 12 5.244 -2.565 -1.568 1.00 15.00 C ATOM 242 C LYS A 12 6.270 -1.691 -0.836 1.00 15.00 C ATOM 243 O LYS A 12 7.448 -1.829 -1.122 1.00 15.00 O ATOM 244 CB LYS A 12 4.149 -1.701 -2.187 1.00 15.00 C ATOM 245 CG LYS A 12 3.317 -2.544 -3.157 1.00 15.00 C ATOM 246 CD LYS A 12 4.201 -3.014 -4.316 1.00 15.00 C ATOM 247 CE LYS A 12 3.324 -3.350 -5.526 1.00 15.00 C ATOM 248 NZ LYS A 12 3.829 -4.665 -6.013 1.00 15.00 N ATOM 249 OXT LYS A 12 5.858 -0.900 -0.003 1.00 15.00 O ATOM 0 H LYS A 12 3.538 -3.594 -0.838 1.00 15.00 H new ATOM 0 HA LYS A 12 5.808 -3.125 -2.314 1.00 15.00 H new ATOM 0 HB2 LYS A 12 3.510 -1.291 -1.405 1.00 15.00 H new ATOM 0 HB3 LYS A 12 4.592 -0.855 -2.712 1.00 15.00 H new ATOM 0 HG2 LYS A 12 2.894 -3.404 -2.637 1.00 15.00 H new ATOM 0 HG3 LYS A 12 2.480 -1.959 -3.538 1.00 15.00 H new ATOM 0 HD2 LYS A 12 4.918 -2.236 -4.578 1.00 15.00 H new ATOM 0 HD3 LYS A 12 4.776 -3.890 -4.016 1.00 15.00 H new ATOM 0 HE2 LYS A 12 2.272 -3.410 -5.247 1.00 15.00 H new ATOM 0 HE3 LYS A 12 3.406 -2.585 -6.298 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 3.277 -4.963 -6.843 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 4.831 -4.576 -6.278 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 3.732 -5.375 -5.259 1.00 15.00 H new TER 263 LYS A 12