USER MOD reduce.3.24.130724 H: found=0, std=0, add=122, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 121 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD Single : A 1 GLY N :NH3+ -91:sc= 1.18 (180deg=-0.394) USER MOD Single : A 3 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.247 K(o=-0.25,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.745 18.529 22.710 1.00 0.00 N ATOM 2 CA GLY A 1 24.390 18.520 21.305 1.00 0.00 C ATOM 3 C GLY A 1 25.077 19.589 20.465 1.00 0.00 C ATOM 4 O GLY A 1 25.883 20.370 20.966 1.00 0.00 O ATOM 0 H2 GLY A 1 25.558 17.900 22.867 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.995 19.496 22.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.631 17.541 20.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.311 18.646 21.217 1.00 0.00 H new ATOM 8 N PRO A 2 24.798 19.553 19.161 1.00 0.00 N ATOM 9 CA PRO A 2 25.483 20.298 18.123 1.00 0.00 C ATOM 10 C PRO A 2 24.995 21.721 17.891 1.00 0.00 C ATOM 11 O PRO A 2 25.434 22.422 16.982 1.00 0.00 O ATOM 12 CB PRO A 2 25.342 19.502 16.829 1.00 0.00 C ATOM 13 CG PRO A 2 23.900 19.051 17.040 1.00 0.00 C ATOM 14 CD PRO A 2 23.829 18.686 18.521 1.00 0.00 C ATOM 0 HA PRO A 2 26.515 20.415 18.454 1.00 0.00 H new ATOM 0 HB2 PRO A 2 25.475 20.110 15.934 1.00 0.00 H new ATOM 0 HB3 PRO A 2 26.045 18.672 16.757 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.195 19.845 16.792 1.00 0.00 H new ATOM 0 HG3 PRO A 2 23.654 18.198 16.408 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.828 18.848 18.921 1.00 0.00 H new ATOM 0 HD3 PRO A 2 24.071 17.635 18.682 1.00 0.00 H new ATOM 22 N THR A 3 24.078 22.208 18.730 1.00 0.00 N ATOM 23 CA THR A 3 23.543 23.548 18.604 1.00 0.00 C ATOM 24 C THR A 3 24.567 24.546 19.123 1.00 0.00 C ATOM 25 O THR A 3 25.504 24.202 19.840 1.00 0.00 O ATOM 26 CB THR A 3 22.283 23.779 19.433 1.00 0.00 C ATOM 27 OG1 THR A 3 22.599 23.736 20.806 1.00 0.00 O ATOM 28 CG2 THR A 3 21.138 22.827 19.099 1.00 0.00 C ATOM 0 H THR A 3 23.692 21.679 19.512 1.00 0.00 H new ATOM 0 HA THR A 3 23.307 23.676 17.548 1.00 0.00 H new ATOM 0 HB THR A 3 21.914 24.771 19.172 1.00 0.00 H new ATOM 0 HG1 THR A 3 22.815 22.815 21.063 1.00 0.00 H new ATOM 0 HG21 THR A 3 20.279 23.055 19.730 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.860 22.945 18.052 1.00 0.00 H new ATOM 0 HG23 THR A 3 21.456 21.799 19.276 1.00 0.00 H new ATOM 36 N PRO A 4 24.407 25.839 18.833 1.00 0.00 N ATOM 37 CA PRO A 4 25.179 26.906 19.438 1.00 0.00 C ATOM 38 C PRO A 4 24.607 27.372 20.769 1.00 0.00 C ATOM 39 O PRO A 4 25.129 28.305 21.375 1.00 0.00 O ATOM 40 CB PRO A 4 25.122 28.076 18.459 1.00 0.00 C ATOM 41 CG PRO A 4 23.937 27.813 17.534 1.00 0.00 C ATOM 42 CD PRO A 4 23.543 26.361 17.792 1.00 0.00 C ATOM 0 HA PRO A 4 26.189 26.547 19.635 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.997 29.020 18.990 1.00 0.00 H new ATOM 0 HB3 PRO A 4 26.049 28.151 17.890 1.00 0.00 H new ATOM 0 HG2 PRO A 4 23.110 28.490 17.751 1.00 0.00 H new ATOM 0 HG3 PRO A 4 24.210 27.967 16.490 1.00 0.00 H new ATOM 0 HD2 PRO A 4 22.498 26.298 18.097 1.00 0.00 H new ATOM 0 HD3 PRO A 4 23.645 25.771 16.881 1.00 0.00 H new ATOM 50 N MET A 5 23.480 26.829 21.236 1.00 0.00 N ATOM 51 CA MET A 5 22.866 27.204 22.495 1.00 0.00 C ATOM 52 C MET A 5 23.630 26.676 23.700 1.00 0.00 C ATOM 53 O MET A 5 23.514 25.509 24.065 1.00 0.00 O ATOM 54 CB MET A 5 21.459 26.616 22.539 1.00 0.00 C ATOM 55 CG MET A 5 20.427 27.407 21.742 1.00 0.00 C ATOM 56 SD MET A 5 20.354 27.081 19.964 1.00 0.00 S ATOM 57 CE MET A 5 18.891 28.008 19.437 1.00 0.00 C ATOM 0 H MET A 5 22.966 26.104 20.735 1.00 0.00 H new ATOM 0 HA MET A 5 22.862 28.293 22.547 1.00 0.00 H new ATOM 0 HB2 MET A 5 21.492 25.595 22.158 1.00 0.00 H new ATOM 0 HB3 MET A 5 21.133 26.558 23.578 1.00 0.00 H new ATOM 0 HG2 MET A 5 19.443 27.207 22.166 1.00 0.00 H new ATOM 0 HG3 MET A 5 20.626 28.469 21.886 1.00 0.00 H new ATOM 0 HE1 MET A 5 18.747 27.882 18.364 1.00 0.00 H new ATOM 0 HE2 MET A 5 18.014 27.636 19.967 1.00 0.00 H new ATOM 0 HE3 MET A 5 19.029 29.065 19.663 1.00 0.00 H new ATOM 67 N VAL A 6 24.517 27.492 24.272 1.00 0.00 N ATOM 68 CA VAL A 6 25.282 27.101 25.439 1.00 0.00 C ATOM 69 C VAL A 6 24.404 26.702 26.616 1.00 0.00 C ATOM 70 O VAL A 6 23.389 27.353 26.856 1.00 0.00 O ATOM 71 CB VAL A 6 26.223 28.261 25.751 1.00 0.00 C ATOM 72 CG1 VAL A 6 27.247 28.572 24.664 1.00 0.00 C ATOM 73 CG2 VAL A 6 25.506 29.568 26.078 1.00 0.00 C ATOM 0 H VAL A 6 24.718 28.434 23.936 1.00 0.00 H new ATOM 0 HA VAL A 6 25.857 26.197 25.236 1.00 0.00 H new ATOM 0 HB VAL A 6 26.743 27.885 26.632 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.868 29.410 24.979 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.876 27.698 24.495 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.730 28.830 23.740 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.242 30.344 26.288 1.00 0.00 H new ATOM 0 HG22 VAL A 6 24.893 29.869 25.228 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.870 29.425 26.951 1.00 0.00 H new ATOM 83 N GLY A 7 24.740 25.626 27.332 1.00 0.00 N ATOM 84 CA GLY A 7 23.940 25.100 28.420 1.00 0.00 C ATOM 85 C GLY A 7 23.795 23.591 28.550 1.00 0.00 C ATOM 86 O GLY A 7 22.901 23.084 29.224 1.00 0.00 O ATOM 0 H GLY A 7 25.593 25.093 27.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.362 25.474 29.353 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.939 25.523 28.330 1.00 0.00 H new ATOM 90 N LEU A 8 24.686 22.865 27.872 1.00 0.00 N ATOM 91 CA LEU A 8 24.929 21.440 27.977 1.00 0.00 C ATOM 92 C LEU A 8 23.892 20.595 27.249 1.00 0.00 C ATOM 93 O LEU A 8 22.716 20.937 27.147 1.00 0.00 O ATOM 94 CB LEU A 8 25.253 20.954 29.387 1.00 0.00 C ATOM 95 CG LEU A 8 26.618 21.332 29.955 1.00 0.00 C ATOM 96 CD1 LEU A 8 26.859 22.807 30.266 1.00 0.00 C ATOM 97 CD2 LEU A 8 26.855 20.715 31.330 1.00 0.00 C ATOM 0 H LEU A 8 25.300 23.300 27.184 1.00 0.00 H new ATOM 0 HA LEU A 8 25.859 21.279 27.431 1.00 0.00 H new ATOM 0 HB2 LEU A 8 24.488 21.338 30.062 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.171 19.867 29.398 1.00 0.00 H new ATOM 0 HG LEU A 8 27.260 20.985 29.145 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.866 22.935 30.663 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.751 23.394 29.354 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.132 23.147 31.004 1.00 0.00 H new ATOM 0 HD21 LEU A 8 27.838 21.010 31.697 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.089 21.065 32.023 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.807 19.629 31.255 1.00 0.00 H new ATOM 109 N ASP A 9 24.289 19.417 26.764 1.00 0.00 N ATOM 110 CA ASP A 9 23.564 18.576 25.833 1.00 0.00 C ATOM 111 C ASP A 9 22.493 17.722 26.497 1.00 0.00 C ATOM 112 O ASP A 9 22.285 17.815 27.705 1.00 0.00 O ATOM 113 CB ASP A 9 24.648 17.800 25.089 1.00 0.00 C ATOM 114 CG ASP A 9 24.258 17.685 23.622 1.00 0.00 C ATOM 115 OD1 ASP A 9 23.676 16.641 23.257 1.00 0.00 O ATOM 0 H ASP A 9 25.183 19.007 27.033 1.00 0.00 H new ATOM 0 HA ASP A 9 22.963 19.156 25.132 1.00 0.00 H new ATOM 0 HB2 ASP A 9 25.607 18.308 25.185 1.00 0.00 H new ATOM 0 HB3 ASP A 9 24.768 16.808 25.525 1.00 0.00 H new ATOM 120 N SER A 10 21.889 16.819 25.723 1.00 0.00 N ATOM 121 CA SER A 10 21.070 15.746 26.252 1.00 0.00 C ATOM 122 C SER A 10 21.799 14.835 27.229 1.00 0.00 C ATOM 123 O SER A 10 21.226 14.513 28.267 1.00 0.00 O ATOM 124 CB SER A 10 20.388 14.954 25.140 1.00 0.00 C ATOM 125 OG SER A 10 21.241 14.107 24.403 1.00 0.00 O ATOM 0 H SER A 10 21.960 16.818 24.705 1.00 0.00 H new ATOM 0 HA SER A 10 20.294 16.237 26.839 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.593 14.351 25.579 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.914 15.655 24.453 1.00 0.00 H new ATOM 0 HG SER A 10 20.723 13.639 23.715 1.00 0.00 H new ATOM 131 N VAL A 11 23.066 14.503 26.962 1.00 0.00 N ATOM 132 CA VAL A 11 23.915 13.770 27.879 1.00 0.00 C ATOM 133 C VAL A 11 25.267 14.463 27.983 1.00 0.00 C ATOM 134 O VAL A 11 25.655 14.759 29.110 1.00 0.00 O ATOM 135 CB VAL A 11 24.128 12.350 27.360 1.00 0.00 C ATOM 136 CG1 VAL A 11 24.955 11.517 28.335 1.00 0.00 C ATOM 137 CG2 VAL A 11 22.835 11.593 27.072 1.00 0.00 C ATOM 0 H VAL A 11 23.529 14.744 26.086 1.00 0.00 H new ATOM 0 HA VAL A 11 23.437 13.736 28.858 1.00 0.00 H new ATOM 0 HB VAL A 11 24.659 12.484 26.417 1.00 0.00 H new ATOM 0 HG11 VAL A 11 25.087 10.512 27.934 1.00 0.00 H new ATOM 0 HG12 VAL A 11 25.930 11.983 28.475 1.00 0.00 H new ATOM 0 HG13 VAL A 11 24.439 11.460 29.293 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.072 10.594 26.707 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.247 11.516 27.987 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.261 12.128 26.316 1.00 0.00 H new ATOM 147 N SER A 12 25.914 14.749 26.851 1.00 0.00 N ATOM 148 CA SER A 12 27.286 15.216 26.827 1.00 0.00 C ATOM 149 C SER A 12 27.578 16.270 25.768 1.00 0.00 C ATOM 150 O SER A 12 27.258 16.043 24.604 1.00 0.00 O ATOM 151 CB SER A 12 28.254 14.054 26.626 1.00 0.00 C ATOM 152 OG SER A 12 28.174 13.135 27.692 1.00 0.00 O ATOM 0 H SER A 12 25.492 14.660 25.926 1.00 0.00 H new ATOM 0 HA SER A 12 27.430 15.686 27.800 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.029 13.547 25.688 1.00 0.00 H new ATOM 0 HB3 SER A 12 29.272 14.435 26.546 1.00 0.00 H new ATOM 0 HG SER A 12 28.803 12.400 27.538 1.00 0.00 H new ATOM 158 N GLY A 13 28.222 17.379 26.138 1.00 0.00 N ATOM 159 CA GLY A 13 28.550 18.511 25.293 1.00 0.00 C ATOM 160 C GLY A 13 28.278 19.825 26.010 1.00 0.00 C ATOM 161 O GLY A 13 27.481 19.856 26.945 1.00 0.00 O ATOM 0 H GLY A 13 28.545 17.511 27.097 1.00 0.00 H new ATOM 0 HA2 GLY A 13 29.600 18.461 25.004 1.00 0.00 H new ATOM 0 HA3 GLY A 13 27.964 18.466 24.375 1.00 0.00 H new ATOM 165 N GLN A 14 28.907 20.926 25.593 1.00 0.00 N ATOM 166 CA GLN A 14 28.718 22.236 26.185 1.00 0.00 C ATOM 167 C GLN A 14 27.478 23.006 25.755 1.00 0.00 C ATOM 168 O GLN A 14 26.948 23.895 26.418 1.00 0.00 O ATOM 169 CB GLN A 14 29.928 23.124 25.915 1.00 0.00 C ATOM 170 CG GLN A 14 30.148 23.484 24.449 1.00 0.00 C ATOM 171 CD GLN A 14 31.516 24.062 24.116 1.00 0.00 C ATOM 172 OE1 GLN A 14 32.349 23.525 23.389 1.00 0.00 O ATOM 173 NE2 GLN A 14 31.785 25.291 24.563 1.00 0.00 N ATOM 0 H GLN A 14 29.572 20.923 24.820 1.00 0.00 H new ATOM 0 HA GLN A 14 28.585 22.011 27.243 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.819 24.045 26.488 1.00 0.00 H new ATOM 0 HB3 GLN A 14 30.820 22.621 26.288 1.00 0.00 H new ATOM 0 HG2 GLN A 14 29.994 22.589 23.846 1.00 0.00 H new ATOM 0 HG3 GLN A 14 29.386 24.204 24.151 1.00 0.00 H new ATOM 0 HE21 GLN A 14 31.119 25.771 25.169 1.00 0.00 H new ATOM 0 HE22 GLN A 14 32.657 25.750 24.299 1.00 0.00 H new ATOM 182 N TYR A 15 26.906 22.568 24.631 1.00 0.00 N ATOM 183 CA TYR A 15 25.725 23.150 24.026 1.00 0.00 C ATOM 184 C TYR A 15 24.584 22.144 23.996 1.00 0.00 C ATOM 185 O TYR A 15 24.812 20.938 24.053 1.00 0.00 O ATOM 186 CB TYR A 15 25.993 23.566 22.582 1.00 0.00 C ATOM 187 CG TYR A 15 27.172 24.455 22.262 1.00 0.00 C ATOM 188 CD1 TYR A 15 27.071 25.849 22.327 1.00 0.00 C ATOM 189 CD2 TYR A 15 28.349 23.857 21.795 1.00 0.00 C ATOM 190 CE1 TYR A 15 28.109 26.659 21.852 1.00 0.00 C ATOM 191 CE2 TYR A 15 29.392 24.670 21.335 1.00 0.00 C ATOM 192 CZ TYR A 15 29.297 26.076 21.368 1.00 0.00 C ATOM 193 OH TYR A 15 30.337 26.875 20.993 1.00 0.00 O ATOM 0 H TYR A 15 27.271 21.773 24.107 1.00 0.00 H new ATOM 0 HA TYR A 15 25.460 24.019 24.629 1.00 0.00 H new ATOM 0 HB2 TYR A 15 26.106 22.653 21.997 1.00 0.00 H new ATOM 0 HB3 TYR A 15 25.098 24.070 22.218 1.00 0.00 H new ATOM 0 HD1 TYR A 15 26.186 26.303 22.747 1.00 0.00 H new ATOM 0 HD2 TYR A 15 28.451 22.782 21.790 1.00 0.00 H new ATOM 0 HE1 TYR A 15 27.999 27.733 21.856 1.00 0.00 H new ATOM 0 HE2 TYR A 15 30.289 24.210 20.947 1.00 0.00 H new ATOM 0 HH TYR A 15 31.082 26.319 20.684 1.00 0.00 H new ATOM 203 N TRP A 16 23.340 22.621 23.900 1.00 0.00 N ATOM 204 CA TRP A 16 22.110 21.860 23.817 1.00 0.00 C ATOM 205 C TRP A 16 22.115 20.961 22.589 1.00 0.00 C ATOM 206 O TRP A 16 22.865 21.182 21.642 1.00 0.00 O ATOM 207 CB TRP A 16 20.931 22.826 23.752 1.00 0.00 C ATOM 208 CG TRP A 16 20.545 23.662 24.931 1.00 0.00 C ATOM 209 CD1 TRP A 16 21.257 23.995 26.031 1.00 0.00 C ATOM 210 CD2 TRP A 16 19.282 24.374 25.093 1.00 0.00 C ATOM 211 NE1 TRP A 16 20.502 24.784 26.878 1.00 0.00 N ATOM 212 CE2 TRP A 16 19.255 25.039 26.345 1.00 0.00 C ATOM 213 CE3 TRP A 16 18.131 24.482 24.297 1.00 0.00 C ATOM 214 CZ2 TRP A 16 18.137 25.740 26.814 1.00 0.00 C ATOM 215 CZ3 TRP A 16 17.038 25.246 24.724 1.00 0.00 C ATOM 216 CH2 TRP A 16 17.031 25.886 25.968 1.00 0.00 C ATOM 0 H TRP A 16 23.163 23.625 23.877 1.00 0.00 H new ATOM 0 HA TRP A 16 22.021 21.227 24.700 1.00 0.00 H new ATOM 0 HB2 TRP A 16 21.127 23.511 22.927 1.00 0.00 H new ATOM 0 HB3 TRP A 16 20.054 22.239 23.478 1.00 0.00 H new ATOM 0 HD1 TRP A 16 22.275 23.687 26.221 1.00 0.00 H new ATOM 0 HE1 TRP A 16 20.825 25.133 27.781 1.00 0.00 H new ATOM 0 HE3 TRP A 16 18.088 23.971 23.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 18.128 26.160 27.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.179 25.344 24.077 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.185 26.484 26.271 1.00 0.00 H new ATOM 227 N ASP A 17 21.184 20.004 22.588 1.00 0.00 N ATOM 228 CA ASP A 17 20.726 19.268 21.427 1.00 0.00 C ATOM 229 C ASP A 17 19.554 19.997 20.786 1.00 0.00 C ATOM 230 O ASP A 17 19.004 20.964 21.310 1.00 0.00 O ATOM 231 CB ASP A 17 20.472 17.838 21.895 1.00 0.00 C ATOM 232 CG ASP A 17 20.378 16.841 20.750 1.00 0.00 C ATOM 233 OD1 ASP A 17 20.969 17.132 19.687 1.00 0.00 O1- ATOM 234 OD2 ASP A 17 19.800 15.742 20.888 1.00 0.00 O ATOM 0 H ASP A 17 20.711 19.714 23.444 1.00 0.00 H new ATOM 0 HA ASP A 17 21.456 19.209 20.619 1.00 0.00 H new ATOM 0 HB2 ASP A 17 21.274 17.535 22.567 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.546 17.810 22.470 1.00 0.00 H new ATOM 239 N GLN A 18 19.112 19.600 19.591 1.00 0.00 N ATOM 240 CA GLN A 18 17.903 20.030 18.917 1.00 0.00 C ATOM 241 C GLN A 18 17.126 18.825 18.408 1.00 0.00 C ATOM 242 O GLN A 18 17.629 18.025 17.622 1.00 0.00 O ATOM 243 CB GLN A 18 18.176 21.076 17.839 1.00 0.00 C ATOM 244 CG GLN A 18 18.997 20.673 16.617 1.00 0.00 C ATOM 245 CD GLN A 18 19.257 21.773 15.598 1.00 0.00 C ATOM 246 OE1 GLN A 18 19.876 22.801 15.866 1.00 0.00 O ATOM 247 NE2 GLN A 18 18.689 21.689 14.393 1.00 0.00 N ATOM 0 H GLN A 18 19.633 18.921 19.036 1.00 0.00 H new ATOM 0 HA GLN A 18 17.269 20.539 19.643 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.213 21.443 17.484 1.00 0.00 H new ATOM 0 HB3 GLN A 18 18.682 21.916 18.315 1.00 0.00 H new ATOM 0 HG2 GLN A 18 19.957 20.288 16.960 1.00 0.00 H new ATOM 0 HG3 GLN A 18 18.485 19.852 16.114 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.167 20.852 14.133 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.777 22.461 13.733 1.00 0.00 H new