USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 153 hydrogens (14 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 NoAdj-H: A 1 PRO H2 : A 1 PRO N : A 18 DPR C :(H bumps) USER MOD NoAdj-H: A 1 PRO H3 : A 1 PRO N : A 18 DPR C :(H bumps) USER MOD NoAdj-H: A 9 DPR H : A 9 DPR N : A 8 ILE C :(H bumps) USER MOD NoAdj-H: A 18 DPR H : A 18 DPR N : A 17 ARG C :(H bumps) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.319 12.567 -2.577 1.00 0.00 N ATOM 2 CA PRO A 1 1.782 12.104 -3.858 1.00 0.00 C ATOM 3 C PRO A 1 2.403 10.700 -3.781 1.00 0.00 C ATOM 4 O PRO A 1 2.983 10.220 -4.762 1.00 0.00 O ATOM 5 CB PRO A 1 2.853 13.132 -4.207 1.00 0.00 C ATOM 6 CG PRO A 1 3.442 13.532 -2.889 1.00 0.00 C ATOM 7 CD PRO A 1 2.370 13.306 -1.845 1.00 0.00 C ATOM 0 HA PRO A 1 0.977 12.019 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.610 12.707 -4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.424 13.990 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.330 12.940 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.752 14.577 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.749 12.731 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.994 14.248 -1.447 1.00 0.00 H new ATOM 15 N VAL A 2 2.272 10.028 -2.638 1.00 0.00 N ATOM 16 CA VAL A 2 2.932 8.747 -2.464 1.00 0.00 C ATOM 17 C VAL A 2 1.926 7.618 -2.271 1.00 0.00 C ATOM 18 O VAL A 2 1.042 7.695 -1.412 1.00 0.00 O ATOM 19 CB VAL A 2 3.909 8.758 -1.256 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.748 7.482 -1.212 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.801 9.985 -1.285 1.00 0.00 C ATOM 0 H VAL A 2 1.726 10.345 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 2 3.499 8.573 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 2 3.308 8.798 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.422 7.519 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.091 6.617 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.331 7.398 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.474 9.966 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.385 9.988 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.185 10.883 -1.243 1.00 0.00 H new ATOM 31 N THR A 3 2.048 6.598 -3.075 1.00 0.00 N ATOM 32 CA THR A 3 1.232 5.428 -2.936 1.00 0.00 C ATOM 33 C THR A 3 2.031 4.357 -2.190 1.00 0.00 C ATOM 34 O THR A 3 3.000 3.808 -2.715 1.00 0.00 O ATOM 35 CB THR A 3 0.775 4.908 -4.314 1.00 0.00 C ATOM 36 OG1 THR A 3 0.118 5.973 -5.011 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.203 3.751 -4.162 1.00 0.00 C ATOM 0 H THR A 3 2.716 6.556 -3.844 1.00 0.00 H new ATOM 0 HA THR A 3 0.335 5.677 -2.369 1.00 0.00 H new ATOM 0 HB THR A 3 1.649 4.560 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.176 5.656 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.510 3.402 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.279 2.936 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.079 4.086 -3.606 1.00 0.00 H new ATOM 45 N TRP A 4 1.649 4.108 -0.965 1.00 0.00 N ATOM 46 CA TRP A 4 2.330 3.156 -0.118 1.00 0.00 C ATOM 47 C TRP A 4 1.710 1.788 -0.304 1.00 0.00 C ATOM 48 O TRP A 4 0.587 1.547 0.144 1.00 0.00 O ATOM 49 CB TRP A 4 2.201 3.570 1.351 1.00 0.00 C ATOM 50 CG TRP A 4 2.748 4.934 1.668 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.085 6.130 1.585 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.062 5.238 2.136 1.00 0.00 C ATOM 53 NE1 TRP A 4 2.918 7.155 1.974 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.135 6.630 2.310 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.187 4.467 2.419 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.284 7.261 2.756 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.330 5.098 2.863 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.369 6.482 3.028 1.00 0.00 C ATOM 0 H TRP A 4 0.851 4.562 -0.521 1.00 0.00 H new ATOM 0 HA TRP A 4 3.385 3.128 -0.391 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.148 3.541 1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.716 2.834 1.969 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.061 6.251 1.262 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.668 8.143 2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.165 3.395 2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.319 8.333 2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.209 4.511 3.086 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.279 6.947 3.379 1.00 0.00 H new ATOM 69 N CYS A 5 2.401 0.916 -0.976 1.00 0.00 N ATOM 70 CA CYS A 5 1.889 -0.410 -1.228 1.00 0.00 C ATOM 71 C CYS A 5 2.559 -1.455 -0.359 1.00 0.00 C ATOM 72 O CYS A 5 3.763 -1.730 -0.485 1.00 0.00 O ATOM 73 CB CYS A 5 2.003 -0.781 -2.708 1.00 0.00 C ATOM 74 SG CYS A 5 1.010 0.276 -3.815 1.00 0.00 S ATOM 0 H CYS A 5 3.327 1.095 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 5 0.832 -0.394 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.049 -0.722 -3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.693 -1.818 -2.837 1.00 0.00 H new ATOM 79 N VAL A 6 1.793 -2.002 0.544 1.00 0.00 N ATOM 80 CA VAL A 6 2.244 -3.080 1.378 1.00 0.00 C ATOM 81 C VAL A 6 1.584 -4.353 0.862 1.00 0.00 C ATOM 82 O VAL A 6 0.421 -4.316 0.431 1.00 0.00 O ATOM 83 CB VAL A 6 1.919 -2.826 2.898 1.00 0.00 C ATOM 84 CG1 VAL A 6 0.427 -2.640 3.143 1.00 0.00 C ATOM 85 CG2 VAL A 6 2.469 -3.938 3.782 1.00 0.00 C ATOM 0 H VAL A 6 0.832 -1.710 0.723 1.00 0.00 H new ATOM 0 HA VAL A 6 3.329 -3.167 1.326 1.00 0.00 H new ATOM 0 HB VAL A 6 2.418 -1.895 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.251 -2.468 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.069 -1.783 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.108 -3.536 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.226 -3.729 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.024 -4.889 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.551 -3.993 3.666 1.00 0.00 H new ATOM 95 N ARG A 7 2.297 -5.442 0.837 1.00 0.00 N ATOM 96 CA ARG A 7 1.728 -6.648 0.317 1.00 0.00 C ATOM 97 C ARG A 7 1.629 -7.718 1.381 1.00 0.00 C ATOM 98 O ARG A 7 2.602 -8.026 2.090 1.00 0.00 O ATOM 99 CB ARG A 7 2.463 -7.147 -0.948 1.00 0.00 C ATOM 100 CG ARG A 7 3.919 -7.517 -0.749 1.00 0.00 C ATOM 101 CD ARG A 7 4.558 -7.973 -2.043 1.00 0.00 C ATOM 102 NE ARG A 7 5.933 -8.435 -1.837 1.00 0.00 N ATOM 103 CZ ARG A 7 6.783 -8.807 -2.808 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.431 -8.709 -4.088 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.991 -9.261 -2.485 1.00 0.00 N ATOM 0 H ARG A 7 3.259 -5.519 1.166 1.00 0.00 H new ATOM 0 HA ARG A 7 0.711 -6.412 0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.934 -8.018 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.404 -6.372 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.463 -6.658 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.995 -8.310 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.965 -8.778 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.554 -7.152 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 7 6.273 -8.478 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.510 -8.349 -4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.083 -8.994 -4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.267 -9.325 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.642 -9.545 -3.217 1.00 0.00 H new ATOM 119 N ILE A 8 0.453 -8.238 1.518 1.00 0.00 N ATOM 120 CA ILE A 8 0.152 -9.306 2.423 1.00 0.00 C ATOM 121 C ILE A 8 -0.063 -10.543 1.553 1.00 0.00 C ATOM 122 O ILE A 8 -1.183 -10.785 1.065 1.00 0.00 O ATOM 123 CB ILE A 8 -1.148 -9.050 3.289 1.00 0.00 C ATOM 124 CG1 ILE A 8 -1.074 -7.756 4.149 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.440 -10.245 4.185 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.219 -6.445 3.386 1.00 0.00 C ATOM 0 H ILE A 8 -0.356 -7.921 0.984 1.00 0.00 H new ATOM 0 HA ILE A 8 0.970 -9.412 3.135 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.960 -8.912 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.855 -7.801 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.119 -7.745 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.337 -10.049 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.595 -11.132 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.597 -10.412 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.152 -5.609 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.423 -6.365 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.186 -6.422 2.883 1.00 0.00 H new HETATM 138 N DPR A 9 1.001 -11.319 1.301 1.00 0.00 N HETATM 139 CA DPR A 9 0.953 -12.432 0.360 1.00 0.00 C HETATM 140 CB DPR A 9 2.404 -12.917 0.307 1.00 0.00 C HETATM 141 CG DPR A 9 3.002 -12.478 1.586 1.00 0.00 C HETATM 142 CD DPR A 9 2.327 -11.192 1.931 1.00 0.00 C HETATM 143 C DPR A 9 0.531 -11.926 -1.028 1.00 0.00 C HETATM 144 O DPR A 9 1.157 -11.011 -1.574 1.00 0.00 O HETATM 0 HG3 DPR A 9 2.846 -13.223 2.366 1.00 0.00 H new HETATM 0 HG2 DPR A 9 4.079 -12.340 1.487 1.00 0.00 H new HETATM 0 HD3 DPR A 9 2.875 -10.334 1.542 1.00 0.00 H new HETATM 0 HD2 DPR A 9 2.248 -11.057 3.010 1.00 0.00 H new HETATM 0 HB3 DPR A 9 2.454 -14.001 0.199 1.00 0.00 H new HETATM 0 HB2 DPR A 9 2.933 -12.487 -0.544 1.00 0.00 H new HETATM 0 HA DPR A 9 0.246 -13.208 0.653 1.00 0.00 H new ATOM 152 N PRO A 10 -0.552 -12.463 -1.594 1.00 0.00 N ATOM 153 CA PRO A 10 -1.046 -12.043 -2.899 1.00 0.00 C ATOM 154 C PRO A 10 -1.952 -10.807 -2.828 1.00 0.00 C ATOM 155 O PRO A 10 -2.436 -10.334 -3.848 1.00 0.00 O ATOM 156 CB PRO A 10 -1.847 -13.249 -3.353 1.00 0.00 C ATOM 157 CG PRO A 10 -2.403 -13.811 -2.095 1.00 0.00 C ATOM 158 CD PRO A 10 -1.369 -13.561 -1.031 1.00 0.00 C ATOM 0 HA PRO A 10 -0.235 -11.754 -3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.639 -12.964 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.218 -13.974 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.348 -13.332 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.604 -14.877 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.828 -13.275 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.768 -14.450 -0.838 1.00 0.00 H new ATOM 166 N THR A 11 -2.189 -10.300 -1.645 1.00 0.00 N ATOM 167 CA THR A 11 -3.037 -9.153 -1.483 1.00 0.00 C ATOM 168 C THR A 11 -2.191 -7.901 -1.281 1.00 0.00 C ATOM 169 O THR A 11 -1.323 -7.864 -0.426 1.00 0.00 O ATOM 170 CB THR A 11 -3.979 -9.343 -0.282 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.699 -10.585 -0.439 1.00 0.00 O ATOM 172 CG2 THR A 11 -4.979 -8.194 -0.173 1.00 0.00 C ATOM 0 H THR A 11 -1.802 -10.668 -0.776 1.00 0.00 H new ATOM 0 HA THR A 11 -3.638 -9.039 -2.385 1.00 0.00 H new ATOM 0 HB THR A 11 -3.378 -9.361 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.300 -10.713 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.630 -8.358 0.686 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.441 -7.254 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.581 -8.148 -1.081 1.00 0.00 H new ATOM 180 N VAL A 12 -2.429 -6.905 -2.071 1.00 0.00 N ATOM 181 CA VAL A 12 -1.715 -5.662 -1.940 1.00 0.00 C ATOM 182 C VAL A 12 -2.631 -4.599 -1.362 1.00 0.00 C ATOM 183 O VAL A 12 -3.829 -4.556 -1.668 1.00 0.00 O ATOM 184 CB VAL A 12 -1.088 -5.166 -3.284 1.00 0.00 C ATOM 185 CG1 VAL A 12 -0.065 -6.163 -3.808 1.00 0.00 C ATOM 186 CG2 VAL A 12 -2.158 -4.889 -4.339 1.00 0.00 C ATOM 0 H VAL A 12 -3.118 -6.922 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.882 -5.846 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.578 -4.225 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.356 -5.795 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.732 -6.286 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.549 -7.124 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.683 -4.546 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.717 -5.803 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.838 -4.120 -3.974 1.00 0.00 H new ATOM 196 N ARG A 13 -2.096 -3.806 -0.497 1.00 0.00 N ATOM 197 CA ARG A 13 -2.805 -2.713 0.091 1.00 0.00 C ATOM 198 C ARG A 13 -2.043 -1.441 -0.188 1.00 0.00 C ATOM 199 O ARG A 13 -0.966 -1.204 0.372 1.00 0.00 O ATOM 200 CB ARG A 13 -3.011 -2.936 1.595 1.00 0.00 C ATOM 201 CG ARG A 13 -3.642 -1.758 2.330 1.00 0.00 C ATOM 202 CD ARG A 13 -3.961 -2.119 3.769 1.00 0.00 C ATOM 203 NE ARG A 13 -5.011 -3.145 3.844 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.224 -3.969 4.873 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.391 -3.985 5.908 1.00 0.00 N ATOM 206 NH2 ARG A 13 -6.267 -4.799 4.856 1.00 0.00 N ATOM 0 H ARG A 13 -1.134 -3.898 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.799 -2.636 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.640 -3.815 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.047 -3.158 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.963 -0.906 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.554 -1.452 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.060 -2.482 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.282 -1.227 4.307 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.631 -3.235 3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.581 -3.365 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.561 -4.618 6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.902 -4.804 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.430 -5.429 5.642 1.00 0.00 H new ATOM 220 N CYS A 14 -2.560 -0.678 -1.089 1.00 0.00 N ATOM 221 CA CYS A 14 -1.956 0.554 -1.488 1.00 0.00 C ATOM 222 C CYS A 14 -2.705 1.725 -0.905 1.00 0.00 C ATOM 223 O CYS A 14 -3.854 1.987 -1.264 1.00 0.00 O ATOM 224 CB CYS A 14 -1.897 0.654 -3.013 1.00 0.00 C ATOM 225 SG CYS A 14 -0.825 -0.597 -3.809 1.00 0.00 S ATOM 0 H CYS A 14 -3.428 -0.893 -1.579 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.936 0.577 -1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.907 0.556 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.541 1.647 -3.287 1.00 0.00 H new ATOM 230 N THR A 15 -2.082 2.383 0.021 1.00 0.00 N ATOM 231 CA THR A 15 -2.640 3.546 0.625 1.00 0.00 C ATOM 232 C THR A 15 -1.962 4.767 0.021 1.00 0.00 C ATOM 233 O THR A 15 -0.744 4.953 0.166 1.00 0.00 O ATOM 234 CB THR A 15 -2.403 3.521 2.140 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.863 2.258 2.674 1.00 0.00 O ATOM 236 CG2 THR A 15 -3.151 4.661 2.824 1.00 0.00 C ATOM 0 H THR A 15 -1.163 2.124 0.381 1.00 0.00 H new ATOM 0 HA THR A 15 -3.714 3.579 0.444 1.00 0.00 H new ATOM 0 HB THR A 15 -1.336 3.642 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.712 2.238 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.968 4.623 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.800 5.615 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.220 4.561 2.634 1.00 0.00 H new ATOM 244 N VAL A 16 -2.707 5.559 -0.679 1.00 0.00 N ATOM 245 CA VAL A 16 -2.153 6.723 -1.306 1.00 0.00 C ATOM 246 C VAL A 16 -2.308 7.950 -0.418 1.00 0.00 C ATOM 247 O VAL A 16 -3.415 8.426 -0.136 1.00 0.00 O ATOM 248 CB VAL A 16 -2.681 6.955 -2.758 1.00 0.00 C ATOM 249 CG1 VAL A 16 -4.196 7.075 -2.812 1.00 0.00 C ATOM 250 CG2 VAL A 16 -2.010 8.166 -3.398 1.00 0.00 C ATOM 0 H VAL A 16 -3.706 5.424 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.085 6.539 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.414 6.071 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.512 7.235 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.647 6.158 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.516 7.918 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.396 8.304 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.221 9.055 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.933 8.005 -3.440 1.00 0.00 H new ATOM 260 N ARG A 17 -1.196 8.429 0.046 1.00 0.00 N ATOM 261 CA ARG A 17 -1.157 9.558 0.917 1.00 0.00 C ATOM 262 C ARG A 17 -0.341 10.638 0.254 1.00 0.00 C ATOM 263 O ARG A 17 0.865 10.437 -0.024 1.00 0.00 O ATOM 264 CB ARG A 17 -0.576 9.178 2.275 1.00 0.00 C ATOM 265 CG ARG A 17 -1.394 8.126 3.000 1.00 0.00 C ATOM 266 CD ARG A 17 -0.827 7.807 4.363 1.00 0.00 C ATOM 267 NE ARG A 17 0.531 7.259 4.292 1.00 0.00 N ATOM 268 CZ ARG A 17 1.266 6.924 5.355 1.00 0.00 C ATOM 269 NH1 ARG A 17 0.786 7.088 6.583 1.00 0.00 N ATOM 270 NH2 ARG A 17 2.478 6.431 5.184 1.00 0.00 N ATOM 0 H ARG A 17 -0.279 8.041 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.168 9.924 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.440 8.808 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.509 10.070 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.421 8.476 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.428 7.217 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.819 8.712 4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.478 7.092 4.866 1.00 0.00 H new ATOM 0 HE ARG A 17 0.942 7.125 3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.149 7.472 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.353 6.830 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.850 6.307 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.043 6.174 5.993 1.00 0.00 H new HETATM 284 N DPR A 18 -0.968 11.768 -0.068 1.00 0.00 N HETATM 285 CA DPR A 18 -0.302 12.844 -0.771 1.00 0.00 C HETATM 286 CB DPR A 18 -1.357 13.955 -0.837 1.00 0.00 C HETATM 287 CG DPR A 18 -2.659 13.255 -0.683 1.00 0.00 C HETATM 288 CD DPR A 18 -2.389 12.077 0.198 1.00 0.00 C HETATM 289 C DPR A 18 0.079 12.364 -2.170 1.00 0.00 C HETATM 290 O DPR A 18 -0.738 11.761 -2.871 1.00 0.00 O HETATM 0 HG3 DPR A 18 -3.406 13.913 -0.238 1.00 0.00 H new HETATM 0 HG2 DPR A 18 -3.049 12.938 -1.650 1.00 0.00 H new HETATM 0 HD3 DPR A 18 -3.036 11.235 -0.048 1.00 0.00 H new HETATM 0 HD2 DPR A 18 -2.559 12.314 1.248 1.00 0.00 H new HETATM 0 HB3 DPR A 18 -1.207 14.690 -0.046 1.00 0.00 H new HETATM 0 HB2 DPR A 18 -1.307 14.492 -1.784 1.00 0.00 H new HETATM 0 HA DPR A 18 0.614 13.184 -0.288 1.00 0.00 H new TER 298 DPR A 18