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 1.172 12.439 -0.883 1.00 0.00 N ATOM 2 CA PRO A 1 1.516 12.452 -2.283 1.00 0.00 C ATOM 3 C PRO A 1 2.157 11.129 -2.762 1.00 0.00 C ATOM 4 O PRO A 1 2.654 11.052 -3.888 1.00 0.00 O ATOM 5 CB PRO A 1 2.551 13.568 -2.325 1.00 0.00 C ATOM 6 CG PRO A 1 3.286 13.453 -1.017 1.00 0.00 C ATOM 7 CD PRO A 1 2.343 12.776 -0.043 1.00 0.00 C ATOM 0 HA PRO A 1 0.647 12.586 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.227 13.450 -3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.077 14.544 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.200 12.872 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.579 14.437 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.791 11.886 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.071 13.437 0.780 1.00 0.00 H new ATOM 15 N VAL A 2 2.152 10.098 -1.926 1.00 0.00 N ATOM 16 CA VAL A 2 2.829 8.844 -2.259 1.00 0.00 C ATOM 17 C VAL A 2 1.840 7.677 -2.297 1.00 0.00 C ATOM 18 O VAL A 2 0.927 7.600 -1.480 1.00 0.00 O ATOM 19 CB VAL A 2 3.963 8.523 -1.233 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.727 7.264 -1.620 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.923 9.691 -1.095 1.00 0.00 C ATOM 0 H VAL A 2 1.690 10.102 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 2 3.270 8.972 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 2 3.483 8.349 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.508 7.072 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.041 6.417 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.180 7.401 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.701 9.439 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.379 9.904 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.379 10.570 -0.749 1.00 0.00 H new ATOM 31 N THR A 3 2.007 6.797 -3.254 1.00 0.00 N ATOM 32 CA THR A 3 1.193 5.625 -3.349 1.00 0.00 C ATOM 33 C THR A 3 1.999 4.412 -2.865 1.00 0.00 C ATOM 34 O THR A 3 2.895 3.917 -3.564 1.00 0.00 O ATOM 35 CB THR A 3 0.710 5.418 -4.794 1.00 0.00 C ATOM 36 OG1 THR A 3 0.092 6.633 -5.249 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.308 4.284 -4.869 1.00 0.00 C ATOM 0 H THR A 3 2.713 6.879 -3.986 1.00 0.00 H new ATOM 0 HA THR A 3 0.312 5.744 -2.719 1.00 0.00 H new ATOM 0 HB THR A 3 1.564 5.160 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.220 6.516 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.635 4.156 -5.901 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.150 3.360 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.167 4.525 -4.243 1.00 0.00 H new ATOM 45 N TRP A 4 1.702 3.972 -1.667 1.00 0.00 N ATOM 46 CA TRP A 4 2.412 2.875 -1.057 1.00 0.00 C ATOM 47 C TRP A 4 1.732 1.578 -1.388 1.00 0.00 C ATOM 48 O TRP A 4 0.571 1.374 -1.022 1.00 0.00 O ATOM 49 CB TRP A 4 2.447 3.021 0.466 1.00 0.00 C ATOM 50 CG TRP A 4 3.097 4.267 0.964 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.478 5.428 1.305 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.492 4.473 1.197 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.399 6.342 1.742 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.643 5.781 1.683 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.628 3.676 1.044 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.879 6.311 2.018 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.858 4.202 1.375 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.974 5.509 1.858 1.00 0.00 C ATOM 0 H TRP A 4 0.961 4.365 -1.087 1.00 0.00 H new ATOM 0 HA TRP A 4 3.430 2.884 -1.445 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.425 2.987 0.843 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.971 2.163 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.414 5.604 1.241 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.190 7.288 2.060 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.544 2.665 0.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.973 7.320 2.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.745 3.596 1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.951 5.894 2.110 1.00 0.00 H new ATOM 69 N CYS A 5 2.413 0.733 -2.097 1.00 0.00 N ATOM 70 CA CYS A 5 1.904 -0.574 -2.387 1.00 0.00 C ATOM 71 C CYS A 5 2.502 -1.564 -1.421 1.00 0.00 C ATOM 72 O CYS A 5 3.666 -1.965 -1.554 1.00 0.00 O ATOM 73 CB CYS A 5 2.171 -0.984 -3.836 1.00 0.00 C ATOM 74 SG CYS A 5 1.345 0.068 -5.082 1.00 0.00 S ATOM 0 H CYS A 5 3.334 0.927 -2.490 1.00 0.00 H new ATOM 0 HA CYS A 5 0.821 -0.559 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.246 -0.962 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.845 -2.015 -3.975 1.00 0.00 H new ATOM 79 N VAL A 6 1.732 -1.922 -0.433 1.00 0.00 N ATOM 80 CA VAL A 6 2.172 -2.847 0.568 1.00 0.00 C ATOM 81 C VAL A 6 1.632 -4.221 0.251 1.00 0.00 C ATOM 82 O VAL A 6 0.450 -4.384 -0.080 1.00 0.00 O ATOM 83 CB VAL A 6 1.774 -2.406 2.017 1.00 0.00 C ATOM 84 CG1 VAL A 6 2.482 -1.116 2.395 1.00 0.00 C ATOM 85 CG2 VAL A 6 0.261 -2.232 2.166 1.00 0.00 C ATOM 0 H VAL A 6 0.781 -1.579 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 6 3.262 -2.868 0.549 1.00 0.00 H new ATOM 0 HB VAL A 6 2.088 -3.201 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.193 -0.825 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.561 -1.268 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.201 -0.328 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.029 -1.926 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.088 -1.469 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.237 -3.177 1.949 1.00 0.00 H new ATOM 95 N ARG A 7 2.493 -5.189 0.290 1.00 0.00 N ATOM 96 CA ARG A 7 2.119 -6.537 -0.009 1.00 0.00 C ATOM 97 C ARG A 7 2.011 -7.345 1.264 1.00 0.00 C ATOM 98 O ARG A 7 3.006 -7.771 1.856 1.00 0.00 O ATOM 99 CB ARG A 7 3.055 -7.173 -1.067 1.00 0.00 C ATOM 100 CG ARG A 7 4.543 -7.096 -0.746 1.00 0.00 C ATOM 101 CD ARG A 7 5.394 -7.645 -1.883 1.00 0.00 C ATOM 102 NE ARG A 7 5.168 -9.074 -2.124 1.00 0.00 N ATOM 103 CZ ARG A 7 5.025 -9.642 -3.337 1.00 0.00 C ATOM 104 NH1 ARG A 7 4.985 -8.885 -4.439 1.00 0.00 N ATOM 105 NH2 ARG A 7 4.918 -10.962 -3.438 1.00 0.00 N ATOM 0 H ARG A 7 3.477 -5.067 0.530 1.00 0.00 H new ATOM 0 HA ARG A 7 1.130 -6.534 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.780 -8.220 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.880 -6.683 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.820 -6.060 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.748 -7.657 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.176 -7.089 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.447 -7.482 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 7 5.115 -9.686 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.063 -7.871 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.877 -9.322 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.944 -11.541 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.810 -11.396 -4.355 1.00 0.00 H new ATOM 119 N ILE A 8 0.806 -7.485 1.711 1.00 0.00 N ATOM 120 CA ILE A 8 0.498 -8.201 2.910 1.00 0.00 C ATOM 121 C ILE A 8 -0.123 -9.520 2.486 1.00 0.00 C ATOM 122 O ILE A 8 -1.273 -9.543 1.995 1.00 0.00 O ATOM 123 CB ILE A 8 -0.490 -7.390 3.793 1.00 0.00 C ATOM 124 CG1 ILE A 8 0.113 -6.005 4.101 1.00 0.00 C ATOM 125 CG2 ILE A 8 -0.796 -8.138 5.090 1.00 0.00 C ATOM 126 CD1 ILE A 8 -0.801 -5.081 4.872 1.00 0.00 C ATOM 0 H ILE A 8 -0.013 -7.096 1.243 1.00 0.00 H new ATOM 0 HA ILE A 8 1.396 -8.368 3.505 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.426 -7.262 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.034 -6.142 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.386 -5.525 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.490 -7.552 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.245 -9.103 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.128 -8.293 5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.296 -4.130 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.712 -4.909 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.055 -5.536 5.830 1.00 0.00 H new HETATM 138 N DPR A 9 0.628 -10.628 2.607 1.00 0.00 N HETATM 139 CA DPR A 9 0.187 -11.920 2.107 1.00 0.00 C HETATM 140 CB DPR A 9 1.358 -12.861 2.414 1.00 0.00 C HETATM 141 CG DPR A 9 2.100 -12.187 3.502 1.00 0.00 C HETATM 142 CD DPR A 9 1.951 -10.717 3.249 1.00 0.00 C HETATM 143 C DPR A 9 -0.032 -11.837 0.599 1.00 0.00 C HETATM 144 O DPR A 9 0.809 -11.299 -0.134 1.00 0.00 O HETATM 0 HG3 DPR A 9 1.696 -12.459 4.477 1.00 0.00 H new HETATM 0 HG2 DPR A 9 3.150 -12.480 3.499 1.00 0.00 H new HETATM 0 HD3 DPR A 9 2.741 -10.336 2.602 1.00 0.00 H new HETATM 0 HD2 DPR A 9 1.991 -10.141 4.174 1.00 0.00 H new HETATM 0 HB3 DPR A 9 1.006 -13.845 2.724 1.00 0.00 H new HETATM 0 HB2 DPR A 9 1.988 -13.010 1.537 1.00 0.00 H new HETATM 0 HA DPR A 9 -0.748 -12.254 2.557 1.00 0.00 H new ATOM 152 N PRO A 10 -1.165 -12.309 0.113 1.00 0.00 N ATOM 153 CA PRO A 10 -1.490 -12.246 -1.286 1.00 0.00 C ATOM 154 C PRO A 10 -2.267 -10.968 -1.639 1.00 0.00 C ATOM 155 O PRO A 10 -2.865 -10.871 -2.709 1.00 0.00 O ATOM 156 CB PRO A 10 -2.362 -13.484 -1.478 1.00 0.00 C ATOM 157 CG PRO A 10 -3.024 -13.714 -0.154 1.00 0.00 C ATOM 158 CD PRO A 10 -2.233 -12.964 0.889 1.00 0.00 C ATOM 0 HA PRO A 10 -0.608 -12.222 -1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.100 -13.326 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.762 -14.345 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.056 -13.364 -0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.053 -14.778 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.851 -12.235 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.825 -13.637 1.643 1.00 0.00 H new ATOM 166 N THR A 11 -2.264 -10.000 -0.748 1.00 0.00 N ATOM 167 CA THR A 11 -2.971 -8.778 -0.974 1.00 0.00 C ATOM 168 C THR A 11 -1.993 -7.613 -1.108 1.00 0.00 C ATOM 169 O THR A 11 -1.205 -7.332 -0.203 1.00 0.00 O ATOM 170 CB THR A 11 -3.917 -8.509 0.192 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.639 -9.715 0.484 1.00 0.00 O ATOM 172 CG2 THR A 11 -4.908 -7.406 -0.156 1.00 0.00 C ATOM 0 H THR A 11 -1.772 -10.046 0.144 1.00 0.00 H new ATOM 0 HA THR A 11 -3.541 -8.872 -1.898 1.00 0.00 H new ATOM 0 HB THR A 11 -3.334 -8.189 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.250 -9.557 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.572 -7.233 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.366 -6.489 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.497 -7.706 -1.023 1.00 0.00 H new ATOM 180 N VAL A 12 -2.040 -6.963 -2.226 1.00 0.00 N ATOM 181 CA VAL A 12 -1.217 -5.817 -2.484 1.00 0.00 C ATOM 182 C VAL A 12 -2.102 -4.586 -2.440 1.00 0.00 C ATOM 183 O VAL A 12 -2.955 -4.386 -3.313 1.00 0.00 O ATOM 184 CB VAL A 12 -0.508 -5.894 -3.862 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.406 -4.691 -4.063 1.00 0.00 C ATOM 186 CG2 VAL A 12 0.280 -7.193 -4.001 1.00 0.00 C ATOM 0 H VAL A 12 -2.658 -7.213 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.435 -5.776 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.275 -5.879 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.894 -4.763 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.183 -3.775 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.162 -4.673 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.767 -7.221 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.035 -7.246 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.398 -8.041 -3.910 1.00 0.00 H new ATOM 196 N ARG A 13 -1.935 -3.798 -1.423 1.00 0.00 N ATOM 197 CA ARG A 13 -2.731 -2.618 -1.253 1.00 0.00 C ATOM 198 C ARG A 13 -1.932 -1.398 -1.589 1.00 0.00 C ATOM 199 O ARG A 13 -0.935 -1.101 -0.935 1.00 0.00 O ATOM 200 CB ARG A 13 -3.248 -2.492 0.168 1.00 0.00 C ATOM 201 CG ARG A 13 -4.189 -3.590 0.606 1.00 0.00 C ATOM 202 CD ARG A 13 -4.701 -3.297 1.997 1.00 0.00 C ATOM 203 NE ARG A 13 -5.411 -2.009 2.048 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.273 -1.086 3.008 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.526 -1.335 4.078 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.908 0.071 2.907 1.00 0.00 N ATOM 0 H ARG A 13 -1.245 -3.953 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.583 -2.703 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.396 -2.472 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.759 -1.535 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.024 -3.666 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.674 -4.551 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.370 -4.096 2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.866 -3.282 2.698 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.061 -1.803 1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.053 -2.234 4.172 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.425 -0.627 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.501 0.258 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.804 0.775 3.637 1.00 0.00 H new ATOM 220 N CYS A 14 -2.339 -0.719 -2.612 1.00 0.00 N ATOM 221 CA CYS A 14 -1.720 0.508 -2.998 1.00 0.00 C ATOM 222 C CYS A 14 -2.510 1.661 -2.431 1.00 0.00 C ATOM 223 O CYS A 14 -3.488 2.135 -3.029 1.00 0.00 O ATOM 224 CB CYS A 14 -1.586 0.602 -4.515 1.00 0.00 C ATOM 225 SG CYS A 14 -0.529 -0.700 -5.239 1.00 0.00 S ATOM 0 H CYS A 14 -3.117 -1.002 -3.208 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.709 0.547 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.578 0.544 -4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.176 1.578 -4.775 1.00 0.00 H new ATOM 230 N THR A 15 -2.142 2.062 -1.250 1.00 0.00 N ATOM 231 CA THR A 15 -2.822 3.108 -0.563 1.00 0.00 C ATOM 232 C THR A 15 -2.108 4.430 -0.810 1.00 0.00 C ATOM 233 O THR A 15 -0.888 4.536 -0.622 1.00 0.00 O ATOM 234 CB THR A 15 -2.857 2.825 0.948 1.00 0.00 C ATOM 235 OG1 THR A 15 -3.324 1.478 1.174 1.00 0.00 O ATOM 236 CG2 THR A 15 -3.797 3.801 1.645 1.00 0.00 C ATOM 0 H THR A 15 -1.355 1.666 -0.736 1.00 0.00 H new ATOM 0 HA THR A 15 -3.844 3.164 -0.937 1.00 0.00 H new ATOM 0 HB THR A 15 -1.852 2.944 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.345 1.296 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.813 3.590 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.449 4.821 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.802 3.691 1.239 1.00 0.00 H new ATOM 244 N VAL A 16 -2.843 5.410 -1.253 1.00 0.00 N ATOM 245 CA VAL A 16 -2.284 6.706 -1.461 1.00 0.00 C ATOM 246 C VAL A 16 -2.261 7.467 -0.137 1.00 0.00 C ATOM 247 O VAL A 16 -3.296 7.725 0.485 1.00 0.00 O ATOM 248 CB VAL A 16 -3.011 7.506 -2.594 1.00 0.00 C ATOM 249 CG1 VAL A 16 -4.506 7.668 -2.326 1.00 0.00 C ATOM 250 CG2 VAL A 16 -2.345 8.861 -2.825 1.00 0.00 C ATOM 0 H VAL A 16 -3.835 5.331 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.260 6.583 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.915 6.917 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.963 8.230 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.972 6.685 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.652 8.205 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.871 9.394 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.383 9.446 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.306 8.711 -3.117 1.00 0.00 H new ATOM 260 N ARG A 17 -1.089 7.739 0.322 1.00 0.00 N ATOM 261 CA ARG A 17 -0.896 8.460 1.535 1.00 0.00 C ATOM 262 C ARG A 17 -0.194 9.739 1.199 1.00 0.00 C ATOM 263 O ARG A 17 0.932 9.709 0.686 1.00 0.00 O ATOM 264 CB ARG A 17 -0.083 7.655 2.551 1.00 0.00 C ATOM 265 CG ARG A 17 -0.735 6.351 3.005 1.00 0.00 C ATOM 266 CD ARG A 17 -2.151 6.582 3.528 1.00 0.00 C ATOM 267 NE ARG A 17 -2.201 7.633 4.547 1.00 0.00 N ATOM 268 CZ ARG A 17 -3.314 8.205 5.005 1.00 0.00 C ATOM 269 NH1 ARG A 17 -4.509 7.722 4.674 1.00 0.00 N ATOM 270 NH2 ARG A 17 -3.228 9.243 5.811 1.00 0.00 N ATOM 0 H ARG A 17 -0.223 7.463 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.863 8.659 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.890 7.426 2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.097 8.279 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.764 5.649 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.128 5.893 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.803 6.852 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.537 5.653 3.948 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.314 7.952 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.579 6.907 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.355 8.167 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.313 9.605 6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.076 9.685 6.165 1.00 0.00 H new HETATM 284 N DPR A 18 -0.843 10.881 1.441 1.00 0.00 N HETATM 285 CA DPR A 18 -0.293 12.165 1.068 1.00 0.00 C HETATM 286 CB DPR A 18 -1.379 13.167 1.470 1.00 0.00 C HETATM 287 CG DPR A 18 -2.216 12.457 2.473 1.00 0.00 C HETATM 288 CD DPR A 18 -2.150 11.004 2.115 1.00 0.00 C HETATM 289 C DPR A 18 -0.064 12.208 -0.448 1.00 0.00 C HETATM 290 O DPR A 18 -1.008 12.004 -1.237 1.00 0.00 O HETATM 0 HG3 DPR A 18 -1.842 12.627 3.483 1.00 0.00 H new HETATM 0 HG2 DPR A 18 -3.244 12.818 2.448 1.00 0.00 H new HETATM 0 HD3 DPR A 18 -2.970 10.714 1.459 1.00 0.00 H new HETATM 0 HD2 DPR A 18 -2.209 10.369 2.999 1.00 0.00 H new HETATM 0 HB3 DPR A 18 -0.942 14.072 1.892 1.00 0.00 H new HETATM 0 HB2 DPR A 18 -1.972 13.471 0.608 1.00 0.00 H new HETATM 0 HA DPR A 18 0.665 12.375 1.545 1.00 0.00 H new TER 298 DPR A 18