USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 116 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 Set 1.1: A 13 GLN : amide:sc=-0.00175 K(o=1.1,f=0.17!) USER MOD Set 1.2: A 22 TYR OH : rot -122:sc= 1.12 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.436 USER MOD Single : A 20 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.053) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ASP A 9 -1.363 0.187 0.458 1.00 0.00 N ATOM 109 CA ASP A 9 -1.551 0.092 1.915 1.00 0.00 C ATOM 110 C ASP A 9 -1.847 1.456 2.456 1.00 0.00 C ATOM 111 O ASP A 9 -1.024 2.364 2.313 1.00 0.00 O ATOM 112 CB ASP A 9 -0.319 -0.431 2.631 1.00 0.00 C ATOM 113 CG ASP A 9 -0.575 -0.632 4.104 1.00 0.00 C ATOM 114 OD1 ASP A 9 -1.103 -1.698 4.507 1.00 0.00 O ATOM 115 OD2 ASP A 9 -0.252 0.258 4.889 1.00 0.00 O ATOM 0 HA ASP A 9 -2.371 -0.605 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.011 -1.375 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.505 0.270 2.497 1.00 0.00 H new ATOM 120 N CYS A 10 -2.982 1.589 3.091 1.00 0.00 N ATOM 121 CA CYS A 10 -3.484 2.867 3.546 1.00 0.00 C ATOM 122 C CYS A 10 -2.494 3.555 4.475 1.00 0.00 C ATOM 123 O CYS A 10 -2.291 4.774 4.394 1.00 0.00 O ATOM 124 CB CYS A 10 -4.833 2.699 4.236 1.00 0.00 C ATOM 125 SG CYS A 10 -5.768 4.236 4.332 1.00 0.00 S ATOM 0 H CYS A 10 -3.595 0.804 3.312 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.616 3.501 2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.421 1.955 3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.675 2.312 5.243 1.00 0.00 H new ATOM 130 N SER A 11 -1.814 2.766 5.296 1.00 0.00 N ATOM 131 CA SER A 11 -0.867 3.304 6.220 1.00 0.00 C ATOM 132 C SER A 11 0.330 3.839 5.462 1.00 0.00 C ATOM 133 O SER A 11 0.795 4.956 5.705 1.00 0.00 O ATOM 134 CB SER A 11 -0.442 2.236 7.210 1.00 0.00 C ATOM 135 OG SER A 11 -1.580 1.570 7.739 1.00 0.00 O ATOM 0 H SER A 11 -1.912 1.751 5.329 1.00 0.00 H new ATOM 0 HA SER A 11 -1.325 4.122 6.776 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.213 1.516 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.131 2.689 8.019 1.00 0.00 H new ATOM 0 HG SER A 11 -1.291 0.883 8.375 1.00 0.00 H new ATOM 141 N LYS A 12 0.759 3.075 4.486 1.00 0.00 N ATOM 142 CA LYS A 12 1.908 3.417 3.708 1.00 0.00 C ATOM 143 C LYS A 12 1.636 4.641 2.851 1.00 0.00 C ATOM 144 O LYS A 12 2.460 5.538 2.775 1.00 0.00 O ATOM 145 CB LYS A 12 2.326 2.254 2.830 1.00 0.00 C ATOM 146 CG LYS A 12 3.555 2.541 2.012 1.00 0.00 C ATOM 147 CD LYS A 12 3.942 1.371 1.158 1.00 0.00 C ATOM 148 CE LYS A 12 5.165 1.717 0.343 1.00 0.00 C ATOM 149 NZ LYS A 12 5.593 0.611 -0.517 1.00 0.00 N ATOM 0 H LYS A 12 0.315 2.198 4.214 1.00 0.00 H new ATOM 0 HA LYS A 12 2.721 3.647 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.510 1.382 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.504 1.998 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.375 3.410 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.382 2.796 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.145 0.503 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.117 1.102 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.953 2.591 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.980 1.989 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.435 0.896 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.822 -0.217 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.826 0.367 -1.176 1.00 0.00 H new ATOM 163 N GLN A 13 0.459 4.693 2.241 1.00 0.00 N ATOM 164 CA GLN A 13 0.114 5.779 1.362 1.00 0.00 C ATOM 165 C GLN A 13 0.009 7.090 2.121 1.00 0.00 C ATOM 166 O GLN A 13 0.284 8.159 1.570 1.00 0.00 O ATOM 167 CB GLN A 13 -1.158 5.467 0.579 1.00 0.00 C ATOM 168 CG GLN A 13 -1.082 4.151 -0.206 1.00 0.00 C ATOM 169 CD GLN A 13 0.163 4.050 -1.071 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.173 4.440 -2.232 1.00 0.00 O ATOM 171 NE2 GLN A 13 1.212 3.523 -0.507 1.00 0.00 N ATOM 0 H GLN A 13 -0.270 3.987 2.346 1.00 0.00 H new ATOM 0 HA GLN A 13 0.919 5.895 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.999 5.421 1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.359 6.284 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.101 3.315 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.966 4.059 -0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.166 3.209 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.079 3.424 -1.035 1.00 0.00 H new ATOM 180 N CYS A 14 -0.354 7.017 3.379 1.00 0.00 N ATOM 181 CA CYS A 14 -0.371 8.200 4.203 1.00 0.00 C ATOM 182 C CYS A 14 1.033 8.574 4.683 1.00 0.00 C ATOM 183 O CYS A 14 1.335 9.751 4.850 1.00 0.00 O ATOM 184 CB CYS A 14 -1.389 8.108 5.341 1.00 0.00 C ATOM 185 SG CYS A 14 -3.134 8.220 4.782 1.00 0.00 S ATOM 0 H CYS A 14 -0.639 6.159 3.851 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.712 9.023 3.574 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.246 7.165 5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.194 8.907 6.056 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.925 8.131 5.809 1.00 0.00 H new ATOM 190 N GLU A 15 1.910 7.588 4.851 1.00 0.00 N ATOM 191 CA GLU A 15 3.299 7.879 5.217 1.00 0.00 C ATOM 192 C GLU A 15 4.057 8.462 4.027 1.00 0.00 C ATOM 193 O GLU A 15 4.937 9.317 4.193 1.00 0.00 O ATOM 194 CB GLU A 15 4.030 6.642 5.752 1.00 0.00 C ATOM 195 CG GLU A 15 3.448 6.088 7.039 1.00 0.00 C ATOM 196 CD GLU A 15 3.318 7.144 8.104 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.343 7.610 8.633 1.00 0.00 O ATOM 198 OE2 GLU A 15 2.185 7.560 8.404 1.00 0.00 O ATOM 0 H GLU A 15 1.693 6.597 4.743 1.00 0.00 H new ATOM 0 HA GLU A 15 3.269 8.615 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.008 5.862 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.077 6.895 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.468 5.656 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.083 5.281 7.405 1.00 0.00 H new ATOM 205 N GLU A 16 3.709 7.999 2.828 1.00 0.00 N ATOM 206 CA GLU A 16 4.281 8.533 1.598 1.00 0.00 C ATOM 207 C GLU A 16 3.680 9.895 1.288 1.00 0.00 C ATOM 208 O GLU A 16 4.270 10.698 0.564 1.00 0.00 O ATOM 209 CB GLU A 16 4.050 7.598 0.402 1.00 0.00 C ATOM 210 CG GLU A 16 4.756 6.255 0.471 1.00 0.00 C ATOM 211 CD GLU A 16 4.612 5.486 -0.827 1.00 0.00 C ATOM 212 OE1 GLU A 16 5.282 5.859 -1.822 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.835 4.515 -0.887 1.00 0.00 O ATOM 0 H GLU A 16 3.030 7.251 2.684 1.00 0.00 H new ATOM 0 HA GLU A 16 5.355 8.624 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.979 7.420 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.372 8.111 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.813 6.409 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.344 5.667 1.291 1.00 0.00 H new ATOM 220 N GLY A 17 2.492 10.129 1.812 1.00 0.00 N ATOM 221 CA GLY A 17 1.827 11.389 1.615 1.00 0.00 C ATOM 222 C GLY A 17 1.130 11.440 0.288 1.00 0.00 C ATOM 223 O GLY A 17 1.325 12.367 -0.498 1.00 0.00 O ATOM 0 H GLY A 17 1.972 9.458 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.103 11.548 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.554 12.199 1.677 1.00 0.00 H new ATOM 227 N ILE A 18 0.357 10.421 0.002 1.00 0.00 N ATOM 228 CA ILE A 18 -0.368 10.372 -1.237 1.00 0.00 C ATOM 229 C ILE A 18 -1.837 10.722 -0.999 1.00 0.00 C ATOM 230 O ILE A 18 -2.225 11.879 -1.145 1.00 0.00 O ATOM 231 CB ILE A 18 -0.220 8.998 -1.948 1.00 0.00 C ATOM 232 CG1 ILE A 18 1.264 8.628 -2.063 1.00 0.00 C ATOM 233 CG2 ILE A 18 -0.848 9.056 -3.341 1.00 0.00 C ATOM 234 CD1 ILE A 18 1.516 7.276 -2.683 1.00 0.00 C ATOM 0 H ILE A 18 0.216 9.616 0.612 1.00 0.00 H new ATOM 0 HA ILE A 18 0.064 11.115 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.735 8.239 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.772 9.388 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.711 8.649 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.739 8.088 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.907 9.300 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.347 9.821 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.589 7.091 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.039 6.504 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.102 7.255 -3.691 1.00 0.00 H new ATOM 246 N GLY A 19 -2.646 9.743 -0.591 1.00 0.00 N ATOM 247 CA GLY A 19 -4.068 10.017 -0.342 1.00 0.00 C ATOM 248 C GLY A 19 -4.818 10.297 -1.630 1.00 0.00 C ATOM 249 O GLY A 19 -5.769 11.070 -1.658 1.00 0.00 O ATOM 0 H GLY A 19 -2.356 8.779 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.520 9.164 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.162 10.872 0.328 1.00 0.00 H new ATOM 253 N HIS A 20 -4.356 9.690 -2.684 1.00 0.00 N ATOM 254 CA HIS A 20 -4.867 9.897 -4.013 1.00 0.00 C ATOM 255 C HIS A 20 -5.179 8.536 -4.589 1.00 0.00 C ATOM 256 O HIS A 20 -4.279 7.715 -4.679 1.00 0.00 O ATOM 257 CB HIS A 20 -3.771 10.617 -4.827 1.00 0.00 C ATOM 258 CG HIS A 20 -4.078 10.930 -6.256 1.00 0.00 C ATOM 259 ND1 HIS A 20 -4.559 12.141 -6.690 1.00 0.00 N ATOM 260 CD2 HIS A 20 -3.870 10.192 -7.365 1.00 0.00 C ATOM 261 CE1 HIS A 20 -4.622 12.113 -8.021 1.00 0.00 C ATOM 262 NE2 HIS A 20 -4.211 10.941 -8.484 1.00 0.00 N ATOM 0 H HIS A 20 -3.591 9.017 -2.644 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.771 10.506 -4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.532 11.552 -4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.872 10.002 -4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.497 9.179 -7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.961 12.932 -8.637 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.156 10.649 -9.460 1.00 0.00 H new ATOM 270 N LYS A 21 -6.459 8.317 -4.954 1.00 0.00 N ATOM 271 CA LYS A 21 -7.004 7.013 -5.450 1.00 0.00 C ATOM 272 C LYS A 21 -7.310 6.102 -4.286 1.00 0.00 C ATOM 273 O LYS A 21 -7.648 4.932 -4.464 1.00 0.00 O ATOM 274 CB LYS A 21 -6.070 6.282 -6.429 1.00 0.00 C ATOM 275 CG LYS A 21 -5.753 7.018 -7.719 1.00 0.00 C ATOM 276 CD LYS A 21 -4.734 6.240 -8.548 1.00 0.00 C ATOM 277 CE LYS A 21 -3.417 6.057 -7.789 1.00 0.00 C ATOM 278 NZ LYS A 21 -2.440 5.285 -8.561 1.00 0.00 N ATOM 0 H LYS A 21 -7.167 9.050 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.912 7.259 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.133 6.069 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.520 5.322 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.667 7.160 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.363 8.010 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.144 5.264 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.546 6.767 -9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.998 7.034 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.611 5.552 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.563 5.185 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.828 4.343 -8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.234 5.779 -9.453 1.00 0.00 H new ATOM 292 N TYR A 22 -7.224 6.641 -3.096 1.00 0.00 N ATOM 293 CA TYR A 22 -7.417 5.870 -1.896 1.00 0.00 C ATOM 294 C TYR A 22 -8.536 6.516 -1.101 1.00 0.00 C ATOM 295 O TYR A 22 -8.301 7.414 -0.288 1.00 0.00 O ATOM 296 CB TYR A 22 -6.112 5.797 -1.060 1.00 0.00 C ATOM 297 CG TYR A 22 -4.877 5.511 -1.896 1.00 0.00 C ATOM 298 CD1 TYR A 22 -4.870 4.491 -2.835 1.00 0.00 C ATOM 299 CD2 TYR A 22 -3.739 6.293 -1.780 1.00 0.00 C ATOM 300 CE1 TYR A 22 -3.784 4.267 -3.634 1.00 0.00 C ATOM 301 CE2 TYR A 22 -2.645 6.064 -2.575 1.00 0.00 C ATOM 302 CZ TYR A 22 -2.676 5.055 -3.504 1.00 0.00 C ATOM 303 OH TYR A 22 -1.590 4.834 -4.300 1.00 0.00 O ATOM 0 H TYR A 22 -7.018 7.627 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.683 4.845 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.974 6.741 -0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.217 5.020 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.741 3.860 -2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.713 7.093 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.802 3.471 -4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.762 6.676 -2.470 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.804 4.663 -3.741 1.00 0.00 H new ATOM 313 N PRO A 23 -9.785 6.095 -1.354 1.00 0.00 N ATOM 314 CA PRO A 23 -10.985 6.701 -0.747 1.00 0.00 C ATOM 315 C PRO A 23 -11.130 6.399 0.748 1.00 0.00 C ATOM 316 O PRO A 23 -12.043 6.875 1.405 1.00 0.00 O ATOM 317 CB PRO A 23 -12.130 6.071 -1.545 1.00 0.00 C ATOM 318 CG PRO A 23 -11.598 4.770 -2.011 1.00 0.00 C ATOM 319 CD PRO A 23 -10.143 4.990 -2.275 1.00 0.00 C ATOM 0 HA PRO A 23 -10.954 7.790 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.016 5.936 -0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.421 6.703 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.745 3.996 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.112 4.439 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.558 4.093 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.961 5.260 -3.315 1.00 0.00 H new ATOM 327 N PHE A 24 -10.235 5.599 1.254 1.00 0.00 N ATOM 328 CA PHE A 24 -10.220 5.205 2.645 1.00 0.00 C ATOM 329 C PHE A 24 -9.009 5.777 3.369 1.00 0.00 C ATOM 330 O PHE A 24 -8.787 5.500 4.550 1.00 0.00 O ATOM 331 CB PHE A 24 -10.276 3.662 2.766 1.00 0.00 C ATOM 332 CG PHE A 24 -9.401 2.941 1.774 1.00 0.00 C ATOM 333 CD1 PHE A 24 -9.875 2.687 0.507 1.00 0.00 C ATOM 334 CD2 PHE A 24 -8.118 2.550 2.090 1.00 0.00 C ATOM 335 CE1 PHE A 24 -9.107 2.067 -0.430 1.00 0.00 C ATOM 336 CE2 PHE A 24 -7.328 1.912 1.151 1.00 0.00 C ATOM 337 CZ PHE A 24 -7.824 1.671 -0.115 1.00 0.00 C ATOM 0 H PHE A 24 -9.478 5.191 0.705 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.106 5.617 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.978 3.375 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.307 3.334 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.880 2.987 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.727 2.743 3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.502 1.885 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.325 1.603 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.211 1.176 -0.854 1.00 0.00 H new ATOM 347 N CYS A 25 -8.252 6.606 2.680 1.00 0.00 N ATOM 348 CA CYS A 25 -7.051 7.166 3.260 1.00 0.00 C ATOM 349 C CYS A 25 -7.078 8.668 3.213 1.00 0.00 C ATOM 350 O CYS A 25 -6.937 9.267 2.137 1.00 0.00 O ATOM 351 CB CYS A 25 -5.814 6.676 2.525 1.00 0.00 C ATOM 352 SG CYS A 25 -5.674 4.877 2.410 1.00 0.00 S ATOM 0 H CYS A 25 -8.446 6.905 1.724 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.012 6.837 4.299 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.816 7.093 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.929 7.065 3.029 1.00 0.00 H new