USER MOD reduce.3.24.130724 H: found=0, std=0, add=121, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 123 hydrogens (15 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 7 GLNHE22 : A 7 GLN NE2 : A 17 LNK C5 :(H bumps) USER MOD NoAdj-H: A 15 GLNHE22 : A 15 GLN NE2 : A 17 LNK C1 :(H bumps) USER MOD NoAdj-H: A 17 LNK H51 : A 17 LNK C5 : A 7 GLN NE2 :(H bumps) USER MOD NoAdj-H: A 17 LNK H11 : A 17 LNK C1 : A 15 GLN NE2 :(H bumps) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 1.410 10.478 -5.402 1.00 0.00 C HETATM 2 O ACE A 3 2.070 10.703 -6.415 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.281 11.414 -4.992 1.00 0.00 C HETATM 0 H1 ACE A 3 -0.658 10.861 -4.965 1.00 0.00 H new HETATM 0 H2 ACE A 3 0.489 11.824 -4.004 1.00 0.00 H new HETATM 0 H3 ACE A 3 0.203 12.227 -5.713 1.00 0.00 H new ATOM 7 N ARG A 4 1.620 9.419 -4.613 1.00 0.00 N ATOM 8 CA ARG A 4 2.611 8.392 -4.901 1.00 0.00 C ATOM 9 C ARG A 4 2.172 7.609 -6.149 1.00 0.00 C ATOM 10 O ARG A 4 0.985 7.316 -6.283 1.00 0.00 O ATOM 11 CB ARG A 4 2.740 7.470 -3.679 1.00 0.00 C ATOM 12 CG ARG A 4 3.950 6.532 -3.785 1.00 0.00 C ATOM 13 CD ARG A 4 4.074 5.631 -2.555 1.00 0.00 C ATOM 14 NE ARG A 4 2.975 4.661 -2.484 1.00 0.00 N ATOM 15 CZ ARG A 4 2.813 3.772 -1.491 1.00 0.00 C ATOM 16 NH1 ARG A 4 3.662 3.745 -0.454 1.00 0.00 N ATOM 17 NH2 ARG A 4 1.795 2.902 -1.535 1.00 0.00 N ATOM 0 H ARG A 4 1.100 9.255 -3.751 1.00 0.00 H new ATOM 0 HA ARG A 4 3.585 8.838 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.830 8.076 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.831 6.877 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.856 5.916 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.860 7.122 -3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.026 5.101 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.079 6.243 -1.653 1.00 0.00 H new ATOM 0 HE ARG A 4 2.289 4.662 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.440 4.404 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.530 3.066 0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.146 2.916 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.669 2.225 -0.782 1.00 0.00 H new ATOM 31 N PRO A 5 3.088 7.264 -7.070 1.00 0.00 N ATOM 32 CA PRO A 5 2.766 6.465 -8.243 1.00 0.00 C ATOM 33 C PRO A 5 2.415 5.032 -7.831 1.00 0.00 C ATOM 34 O PRO A 5 3.300 4.237 -7.524 1.00 0.00 O ATOM 35 CB PRO A 5 4.001 6.548 -9.146 1.00 0.00 C ATOM 36 CG PRO A 5 5.148 6.821 -8.175 1.00 0.00 C ATOM 37 CD PRO A 5 4.486 7.666 -7.089 1.00 0.00 C ATOM 0 HA PRO A 5 1.889 6.830 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.156 5.620 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.904 7.345 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.563 5.898 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.967 7.354 -8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.955 7.495 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.584 8.729 -7.307 1.00 0.00 H new ATOM 45 N LEU A 6 1.114 4.713 -7.829 1.00 0.00 N ATOM 46 CA LEU A 6 0.592 3.376 -7.564 1.00 0.00 C ATOM 47 C LEU A 6 0.456 2.546 -8.848 1.00 0.00 C ATOM 48 O LEU A 6 0.053 1.390 -8.767 1.00 0.00 O ATOM 49 CB LEU A 6 -0.759 3.472 -6.829 1.00 0.00 C ATOM 50 CG LEU A 6 -0.615 3.410 -5.299 1.00 0.00 C ATOM 51 CD1 LEU A 6 0.134 4.622 -4.739 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.005 3.324 -4.657 1.00 0.00 C ATOM 0 H LEU A 6 0.382 5.398 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 6 1.309 2.860 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.251 4.405 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.406 2.660 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.030 2.522 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.211 4.533 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.134 4.664 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.408 5.533 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.903 3.280 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.587 4.204 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.514 2.427 -5.010 1.00 0.00 H new ATOM 64 N GLN A 7 0.775 3.103 -10.025 1.00 0.00 N ATOM 65 CA GLN A 7 0.607 2.413 -11.298 1.00 0.00 C ATOM 66 C GLN A 7 1.471 1.149 -11.355 1.00 0.00 C ATOM 67 O GLN A 7 0.946 0.042 -11.481 1.00 0.00 O ATOM 68 CB GLN A 7 0.924 3.382 -12.449 1.00 0.00 C ATOM 69 CG GLN A 7 0.820 2.741 -13.841 1.00 0.00 C ATOM 70 CD GLN A 7 -0.567 2.165 -14.117 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.439 2.869 -14.622 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.760 0.883 -13.784 1.00 0.00 N ATOM 0 H GLN A 7 1.156 4.045 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.428 2.087 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.241 4.230 -12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.932 3.775 -12.314 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.058 3.487 -14.600 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.563 1.949 -13.929 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.001 0.344 -13.367 1.00 0.00 H new ATOM 80 N TRP A 8 2.794 1.320 -11.262 1.00 0.00 N ATOM 81 CA TRP A 8 3.751 0.218 -11.270 1.00 0.00 C ATOM 82 C TRP A 8 3.544 -0.689 -10.050 1.00 0.00 C ATOM 83 O TRP A 8 3.705 -1.905 -10.138 1.00 0.00 O ATOM 84 CB TRP A 8 5.180 0.783 -11.295 1.00 0.00 C ATOM 85 CG TRP A 8 5.591 1.472 -10.031 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.343 2.764 -9.729 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.162 0.887 -8.822 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.676 3.009 -8.413 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.160 1.875 -7.797 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.618 -0.400 -8.469 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.564 1.596 -6.484 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.049 -0.686 -7.160 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.012 0.305 -6.164 1.00 0.00 C ATOM 0 H TRP A 8 3.231 2.238 -11.178 1.00 0.00 H new ATOM 0 HA TRP A 8 3.593 -0.387 -12.163 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.877 -0.031 -11.495 1.00 0.00 H new ATOM 0 HB3 TRP A 8 5.266 1.486 -12.123 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.944 3.496 -10.415 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.577 3.914 -7.954 1.00 0.00 H new ATOM 0 HE3 TRP A 8 6.637 -1.180 -9.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 6.531 2.366 -5.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 7.411 -1.675 -6.919 1.00 0.00 H new ATOM 0 HH2 TRP A 8 7.327 0.074 -5.157 1.00 0.00 H new ATOM 104 N LEU A 9 3.202 -0.080 -8.907 1.00 0.00 N ATOM 105 CA LEU A 9 3.055 -0.749 -7.626 1.00 0.00 C ATOM 106 C LEU A 9 1.916 -1.763 -7.721 1.00 0.00 C ATOM 107 O LEU A 9 2.101 -2.933 -7.399 1.00 0.00 O ATOM 108 CB LEU A 9 2.839 0.318 -6.535 1.00 0.00 C ATOM 109 CG LEU A 9 3.366 -0.075 -5.146 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.434 1.175 -4.259 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.467 -1.106 -4.462 1.00 0.00 C ATOM 0 H LEU A 9 3.016 0.922 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 9 3.951 -1.308 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.326 1.242 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.773 0.530 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 9 4.353 -0.516 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.807 0.901 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.105 1.906 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.438 1.608 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.878 -1.355 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.466 -0.692 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.416 -2.007 -5.073 1.00 0.00 H new ATOM 123 N ALA A 10 0.753 -1.328 -8.217 1.00 0.00 N ATOM 124 CA ALA A 10 -0.407 -2.179 -8.409 1.00 0.00 C ATOM 125 C ALA A 10 -0.133 -3.304 -9.404 1.00 0.00 C ATOM 126 O ALA A 10 -0.606 -4.418 -9.192 1.00 0.00 O ATOM 127 CB ALA A 10 -1.603 -1.337 -8.855 1.00 0.00 C ATOM 0 H ALA A 10 0.597 -0.360 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.638 -2.650 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.470 -1.983 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.827 -0.591 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.366 -0.836 -9.794 1.00 0.00 H new ATOM 133 N GLU A 11 0.617 -3.029 -10.479 1.00 0.00 N ATOM 134 CA GLU A 11 0.989 -4.054 -11.446 1.00 0.00 C ATOM 135 C GLU A 11 1.775 -5.181 -10.773 1.00 0.00 C ATOM 136 O GLU A 11 1.432 -6.349 -10.941 1.00 0.00 O ATOM 137 CB GLU A 11 1.792 -3.449 -12.607 1.00 0.00 C ATOM 138 CG GLU A 11 0.892 -2.761 -13.642 1.00 0.00 C ATOM 139 CD GLU A 11 0.020 -3.734 -14.440 1.00 0.00 C ATOM 140 OE1 GLU A 11 0.328 -4.947 -14.426 1.00 0.00 O ATOM 141 OE2 GLU A 11 -0.938 -3.241 -15.072 1.00 0.00 O ATOM 0 H GLU A 11 0.976 -2.099 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 11 0.071 -4.478 -11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.507 -2.727 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.368 -4.235 -13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.248 -2.044 -13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.515 -2.194 -14.333 1.00 0.00 H new ATOM 148 N LYS A 12 2.830 -4.836 -10.025 1.00 0.00 N ATOM 149 CA LYS A 12 3.711 -5.823 -9.413 1.00 0.00 C ATOM 150 C LYS A 12 3.047 -6.529 -8.225 1.00 0.00 C ATOM 151 O LYS A 12 3.001 -7.757 -8.191 1.00 0.00 O ATOM 152 CB LYS A 12 5.028 -5.163 -8.986 1.00 0.00 C ATOM 153 CG LYS A 12 5.849 -4.681 -10.187 1.00 0.00 C ATOM 154 CD LYS A 12 7.180 -4.107 -9.689 1.00 0.00 C ATOM 155 CE LYS A 12 7.925 -3.397 -10.823 1.00 0.00 C ATOM 156 NZ LYS A 12 9.158 -2.757 -10.334 1.00 0.00 N ATOM 0 H LYS A 12 3.091 -3.869 -9.831 1.00 0.00 H new ATOM 0 HA LYS A 12 3.922 -6.587 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.814 -4.318 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.617 -5.873 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.030 -5.507 -10.874 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.296 -3.922 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.997 -3.407 -8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.799 -4.909 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.171 -4.115 -11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.276 -2.645 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.641 -2.284 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.919 -2.055 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.786 -3.479 -9.927 1.00 0.00 H new ATOM 170 N TYR A 13 2.582 -5.760 -7.234 1.00 0.00 N ATOM 171 CA TYR A 13 2.121 -6.279 -5.952 1.00 0.00 C ATOM 172 C TYR A 13 0.694 -6.819 -6.045 1.00 0.00 C ATOM 173 O TYR A 13 0.466 -8.001 -5.797 1.00 0.00 O ATOM 174 CB TYR A 13 2.202 -5.190 -4.870 1.00 0.00 C ATOM 175 CG TYR A 13 3.603 -4.826 -4.399 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.475 -4.095 -5.227 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.015 -5.171 -3.097 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.756 -3.739 -4.772 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.295 -4.812 -2.639 1.00 0.00 C ATOM 180 CZ TYR A 13 6.163 -4.087 -3.474 1.00 0.00 C ATOM 181 OH TYR A 13 7.395 -3.714 -3.022 1.00 0.00 O ATOM 0 H TYR A 13 2.517 -4.745 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 13 2.777 -7.105 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.722 -4.289 -5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.623 -5.518 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.158 -3.806 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.344 -5.714 -2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.428 -3.197 -5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.611 -5.093 -1.645 1.00 0.00 H new ATOM 0 HH TYR A 13 7.517 -4.034 -2.104 1.00 0.00 H new ATOM 191 N PHE A 14 -0.273 -5.942 -6.343 1.00 0.00 N ATOM 192 CA PHE A 14 -1.691 -6.272 -6.246 1.00 0.00 C ATOM 193 C PHE A 14 -2.100 -7.260 -7.343 1.00 0.00 C ATOM 194 O PHE A 14 -2.828 -8.213 -7.073 1.00 0.00 O ATOM 195 CB PHE A 14 -2.549 -4.995 -6.289 1.00 0.00 C ATOM 196 CG PHE A 14 -2.165 -3.863 -5.342 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.357 -4.083 -4.207 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.578 -2.551 -5.648 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.881 -2.995 -3.456 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.100 -1.462 -4.898 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.247 -1.684 -3.804 1.00 0.00 C ATOM 0 H PHE A 14 -0.090 -4.989 -6.656 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.865 -6.759 -5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.525 -4.606 -7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.581 -5.275 -6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.103 -5.091 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.266 -2.381 -6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.233 -3.167 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.388 -0.455 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.873 -0.848 -3.231 1.00 0.00 H new ATOM 211 N GLN A 15 -1.628 -7.024 -8.572 1.00 0.00 N ATOM 212 CA GLN A 15 -1.905 -7.839 -9.748 1.00 0.00 C ATOM 213 C GLN A 15 -0.737 -8.793 -10.013 1.00 0.00 C ATOM 214 O GLN A 15 0.306 -8.716 -9.366 1.00 0.00 O ATOM 215 CB GLN A 15 -2.152 -6.913 -10.947 1.00 0.00 C ATOM 216 CG GLN A 15 -3.428 -6.084 -10.751 1.00 0.00 C ATOM 217 CD GLN A 15 -3.517 -4.947 -11.761 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.203 -5.067 -12.774 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.830 -3.838 -11.462 1.00 0.00 N ATOM 0 H GLN A 15 -1.021 -6.230 -8.777 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.795 -8.446 -9.582 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.299 -6.247 -11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.236 -7.506 -11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.301 -6.729 -10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.446 -5.676 -9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.277 -3.796 -10.606 1.00 0.00 H new HETATM 227 N NH2 A 16 -0.913 -9.709 -10.968 1.00 0.00 N TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.838 -2.636 -12.278 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.023 -1.741 -11.896 1.00 0.00 C HETATM 233 C3 LNK A 17 -4.163 -0.511 -12.804 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.936 0.413 -12.767 1.00 0.00 C HETATM 235 C5 LNK A 17 -2.013 0.171 -13.967 1.00 0.00 C HETATM 0 H52 LNK A 17 -2.560 0.361 -14.891 1.00 0.00 H new HETATM 0 H42 LNK A 17 -3.263 1.453 -12.762 1.00 0.00 H new HETATM 0 H41 LNK A 17 -2.383 0.248 -11.842 1.00 0.00 H new HETATM 0 H32 LNK A 17 -4.330 -0.842 -13.829 1.00 0.00 H new HETATM 0 H31 LNK A 17 -5.045 0.055 -12.504 1.00 0.00 H new HETATM 0 H23 LNK A 17 -1.666 -0.862 -13.957 1.00 0.00 H new HETATM 0 H22 LNK A 17 -4.942 -2.325 -11.941 1.00 0.00 H new HETATM 0 H21 LNK A 17 -3.905 -1.412 -10.864 1.00 0.00 H new HETATM 0 H13 LNK A 17 -2.966 -2.992 -13.300 1.00 0.00 H new HETATM 0 H12 LNK A 17 -1.913 -2.065 -12.206 1.00 0.00 H new