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 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 13 GLN : amide:sc= -2.93! C(o=-2.9!,f=-7.1!) USER MOD Single : A 14 CYS SG : rot 75:sc= 0.0309 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ASP A 9 -1.340 -0.379 0.977 1.00 0.00 N ATOM 109 CA ASP A 9 -1.553 -0.167 2.421 1.00 0.00 C ATOM 110 C ASP A 9 -1.864 1.276 2.707 1.00 0.00 C ATOM 111 O ASP A 9 -1.130 2.170 2.278 1.00 0.00 O ATOM 112 CB ASP A 9 -0.346 -0.606 3.251 1.00 0.00 C ATOM 113 CG ASP A 9 -0.185 -2.098 3.320 1.00 0.00 C ATOM 114 OD1 ASP A 9 -0.805 -2.742 4.206 1.00 0.00 O ATOM 115 OD2 ASP A 9 0.565 -2.659 2.516 1.00 0.00 O ATOM 0 HA ASP A 9 -2.403 -0.786 2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.557 -0.169 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.446 -0.211 4.262 1.00 0.00 H new ATOM 120 N CYS A 10 -2.927 1.507 3.437 1.00 0.00 N ATOM 121 CA CYS A 10 -3.408 2.847 3.692 1.00 0.00 C ATOM 122 C CYS A 10 -2.373 3.663 4.469 1.00 0.00 C ATOM 123 O CYS A 10 -2.119 4.834 4.143 1.00 0.00 O ATOM 124 CB CYS A 10 -4.757 2.822 4.416 1.00 0.00 C ATOM 125 SG CYS A 10 -5.651 4.398 4.302 1.00 0.00 S ATOM 0 H CYS A 10 -3.485 0.773 3.872 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.561 3.337 2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.375 2.029 3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.595 2.577 5.466 1.00 0.00 H new ATOM 130 N SER A 11 -1.720 3.022 5.440 1.00 0.00 N ATOM 131 CA SER A 11 -0.681 3.671 6.216 1.00 0.00 C ATOM 132 C SER A 11 0.489 4.049 5.310 1.00 0.00 C ATOM 133 O SER A 11 1.096 5.118 5.466 1.00 0.00 O ATOM 134 CB SER A 11 -0.216 2.753 7.344 1.00 0.00 C ATOM 135 OG SER A 11 -1.313 2.373 8.167 1.00 0.00 O ATOM 0 H SER A 11 -1.898 2.053 5.702 1.00 0.00 H new ATOM 0 HA SER A 11 -1.084 4.582 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.256 1.864 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.538 3.261 7.946 1.00 0.00 H new ATOM 0 HG SER A 11 -0.996 1.784 8.883 1.00 0.00 H new ATOM 141 N LYS A 12 0.745 3.212 4.305 1.00 0.00 N ATOM 142 CA LYS A 12 1.813 3.472 3.383 1.00 0.00 C ATOM 143 C LYS A 12 1.469 4.665 2.512 1.00 0.00 C ATOM 144 O LYS A 12 2.296 5.523 2.270 1.00 0.00 O ATOM 145 CB LYS A 12 2.113 2.272 2.492 1.00 0.00 C ATOM 146 CG LYS A 12 3.202 2.574 1.482 1.00 0.00 C ATOM 147 CD LYS A 12 3.481 1.416 0.577 1.00 0.00 C ATOM 148 CE LYS A 12 4.498 1.806 -0.471 1.00 0.00 C ATOM 149 NZ LYS A 12 4.841 0.683 -1.342 1.00 0.00 N ATOM 0 H LYS A 12 0.221 2.356 4.122 1.00 0.00 H new ATOM 0 HA LYS A 12 2.703 3.681 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.416 1.428 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.205 1.973 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.909 3.436 0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.116 2.848 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.852 0.572 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.559 1.091 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.104 2.625 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.400 2.175 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.541 0.991 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.241 -0.089 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.985 0.347 -1.828 1.00 0.00 H new ATOM 163 N GLN A 13 0.235 4.743 2.081 1.00 0.00 N ATOM 164 CA GLN A 13 -0.173 5.794 1.208 1.00 0.00 C ATOM 165 C GLN A 13 -0.139 7.143 1.890 1.00 0.00 C ATOM 166 O GLN A 13 0.093 8.170 1.245 1.00 0.00 O ATOM 167 CB GLN A 13 -1.519 5.477 0.610 1.00 0.00 C ATOM 168 CG GLN A 13 -1.498 4.146 -0.121 1.00 0.00 C ATOM 169 CD GLN A 13 -0.377 4.074 -1.154 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.023 5.071 -1.734 1.00 0.00 O ATOM 171 NE2 GLN A 13 0.136 2.921 -1.373 1.00 0.00 N ATOM 0 H GLN A 13 -0.502 4.083 2.327 1.00 0.00 H new ATOM 0 HA GLN A 13 0.545 5.862 0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.272 5.450 1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.808 6.269 -0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.377 3.339 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.457 3.990 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.216 2.103 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.897 2.821 -2.045 1.00 0.00 H new ATOM 180 N CYS A 14 -0.327 7.139 3.184 1.00 0.00 N ATOM 181 CA CYS A 14 -0.225 8.346 3.954 1.00 0.00 C ATOM 182 C CYS A 14 1.235 8.727 4.210 1.00 0.00 C ATOM 183 O CYS A 14 1.566 9.905 4.205 1.00 0.00 O ATOM 184 CB CYS A 14 -1.010 8.248 5.248 1.00 0.00 C ATOM 185 SG CYS A 14 -2.810 8.083 5.008 1.00 0.00 S ATOM 0 H CYS A 14 -0.553 6.306 3.728 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.671 9.147 3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.649 7.391 5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.813 9.136 5.849 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.085 6.878 4.606 1.00 0.00 H new ATOM 190 N GLU A 15 2.124 7.743 4.396 1.00 0.00 N ATOM 191 CA GLU A 15 3.543 8.068 4.595 1.00 0.00 C ATOM 192 C GLU A 15 4.171 8.507 3.263 1.00 0.00 C ATOM 193 O GLU A 15 5.083 9.334 3.232 1.00 0.00 O ATOM 194 CB GLU A 15 4.341 6.911 5.227 1.00 0.00 C ATOM 195 CG GLU A 15 4.476 5.691 4.363 1.00 0.00 C ATOM 196 CD GLU A 15 5.369 4.649 4.963 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.925 3.887 5.835 1.00 0.00 O ATOM 198 OE2 GLU A 15 6.559 4.587 4.581 1.00 0.00 O ATOM 0 H GLU A 15 1.898 6.748 4.413 1.00 0.00 H new ATOM 0 HA GLU A 15 3.590 8.892 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.338 7.272 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.859 6.625 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.489 5.262 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.870 5.983 3.389 1.00 0.00 H new ATOM 205 N GLU A 16 3.668 7.951 2.167 1.00 0.00 N ATOM 206 CA GLU A 16 4.089 8.353 0.837 1.00 0.00 C ATOM 207 C GLU A 16 3.481 9.703 0.498 1.00 0.00 C ATOM 208 O GLU A 16 3.993 10.426 -0.343 1.00 0.00 O ATOM 209 CB GLU A 16 3.676 7.316 -0.211 1.00 0.00 C ATOM 210 CG GLU A 16 4.367 5.970 -0.080 1.00 0.00 C ATOM 211 CD GLU A 16 5.855 6.067 -0.266 1.00 0.00 C ATOM 212 OE1 GLU A 16 6.320 6.053 -1.420 1.00 0.00 O ATOM 213 OE2 GLU A 16 6.592 6.144 0.739 1.00 0.00 O ATOM 0 H GLU A 16 2.962 7.215 2.178 1.00 0.00 H new ATOM 0 HA GLU A 16 5.176 8.427 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.599 7.164 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.882 7.720 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.154 5.550 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.956 5.281 -0.818 1.00 0.00 H new ATOM 220 N GLY A 17 2.375 10.016 1.158 1.00 0.00 N ATOM 221 CA GLY A 17 1.706 11.281 0.970 1.00 0.00 C ATOM 222 C GLY A 17 0.962 11.328 -0.335 1.00 0.00 C ATOM 223 O GLY A 17 0.904 12.363 -0.988 1.00 0.00 O ATOM 0 H GLY A 17 1.924 9.399 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.010 11.450 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.438 12.088 1.001 1.00 0.00 H new ATOM 227 N ILE A 18 0.384 10.210 -0.715 1.00 0.00 N ATOM 228 CA ILE A 18 -0.308 10.131 -1.981 1.00 0.00 C ATOM 229 C ILE A 18 -1.797 10.416 -1.795 1.00 0.00 C ATOM 230 O ILE A 18 -2.264 11.511 -2.079 1.00 0.00 O ATOM 231 CB ILE A 18 -0.102 8.751 -2.685 1.00 0.00 C ATOM 232 CG1 ILE A 18 1.384 8.447 -2.818 1.00 0.00 C ATOM 233 CG2 ILE A 18 -0.743 8.753 -4.073 1.00 0.00 C ATOM 234 CD1 ILE A 18 1.690 7.125 -3.480 1.00 0.00 C ATOM 0 H ILE A 18 0.379 9.348 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 18 0.124 10.892 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.578 7.984 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.856 9.245 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.835 8.456 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.589 7.783 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.812 8.945 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.286 9.532 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.770 6.987 -3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.250 6.316 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.272 7.117 -4.486 1.00 0.00 H new ATOM 246 N GLY A 19 -2.536 9.425 -1.319 1.00 0.00 N ATOM 247 CA GLY A 19 -3.987 9.563 -1.108 1.00 0.00 C ATOM 248 C GLY A 19 -4.799 9.497 -2.408 1.00 0.00 C ATOM 249 O GLY A 19 -6.020 9.353 -2.384 1.00 0.00 O ATOM 0 H GLY A 19 -2.162 8.510 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.326 8.775 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.186 10.513 -0.611 1.00 0.00 H new ATOM 253 N HIS A 20 -4.108 9.560 -3.520 1.00 0.00 N ATOM 254 CA HIS A 20 -4.709 9.478 -4.835 1.00 0.00 C ATOM 255 C HIS A 20 -5.062 8.043 -5.094 1.00 0.00 C ATOM 256 O HIS A 20 -4.188 7.194 -5.015 1.00 0.00 O ATOM 257 CB HIS A 20 -3.704 9.965 -5.896 1.00 0.00 C ATOM 258 CG HIS A 20 -4.229 9.970 -7.306 1.00 0.00 C ATOM 259 ND1 HIS A 20 -3.697 9.219 -8.339 1.00 0.00 N ATOM 260 CD2 HIS A 20 -5.235 10.686 -7.850 1.00 0.00 C ATOM 261 CE1 HIS A 20 -4.384 9.503 -9.450 1.00 0.00 C ATOM 262 NE2 HIS A 20 -5.333 10.394 -9.203 1.00 0.00 N ATOM 0 H HIS A 20 -3.094 9.672 -3.540 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.600 10.103 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.386 10.975 -5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.818 9.331 -5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.867 11.380 -7.315 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.191 9.065 -10.418 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.998 10.785 -9.870 1.00 0.00 H new ATOM 270 N LYS A 21 -6.336 7.782 -5.394 1.00 0.00 N ATOM 271 CA LYS A 21 -6.864 6.423 -5.628 1.00 0.00 C ATOM 272 C LYS A 21 -7.119 5.717 -4.330 1.00 0.00 C ATOM 273 O LYS A 21 -7.427 4.528 -4.307 1.00 0.00 O ATOM 274 CB LYS A 21 -5.977 5.582 -6.576 1.00 0.00 C ATOM 275 CG LYS A 21 -5.833 6.186 -7.966 1.00 0.00 C ATOM 276 CD LYS A 21 -4.821 5.444 -8.820 1.00 0.00 C ATOM 277 CE LYS A 21 -5.200 3.989 -9.028 1.00 0.00 C ATOM 278 NZ LYS A 21 -4.224 3.284 -9.883 1.00 0.00 N ATOM 0 H LYS A 21 -7.043 8.512 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.817 6.541 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.988 5.471 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.400 4.582 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.802 6.176 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.532 7.230 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.735 5.937 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.841 5.498 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.265 3.489 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.189 3.933 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.518 2.293 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.181 3.746 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.285 3.316 -9.437 1.00 0.00 H new ATOM 292 N TYR A 22 -7.049 6.463 -3.241 1.00 0.00 N ATOM 293 CA TYR A 22 -7.257 5.908 -1.932 1.00 0.00 C ATOM 294 C TYR A 22 -8.253 6.792 -1.215 1.00 0.00 C ATOM 295 O TYR A 22 -7.878 7.758 -0.545 1.00 0.00 O ATOM 296 CB TYR A 22 -5.940 5.837 -1.142 1.00 0.00 C ATOM 297 CG TYR A 22 -4.781 5.334 -1.960 1.00 0.00 C ATOM 298 CD1 TYR A 22 -4.838 4.111 -2.596 1.00 0.00 C ATOM 299 CD2 TYR A 22 -3.664 6.116 -2.149 1.00 0.00 C ATOM 300 CE1 TYR A 22 -3.813 3.675 -3.383 1.00 0.00 C ATOM 301 CE2 TYR A 22 -2.632 5.698 -2.940 1.00 0.00 C ATOM 302 CZ TYR A 22 -2.708 4.472 -3.553 1.00 0.00 C ATOM 303 OH TYR A 22 -1.674 4.044 -4.327 1.00 0.00 O ATOM 0 H TYR A 22 -6.847 7.463 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.635 4.889 -2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.701 6.829 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.077 5.185 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.710 3.487 -2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.603 7.078 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.870 2.712 -3.868 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.765 6.326 -3.082 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.972 4.728 -4.343 1.00 0.00 H new ATOM 313 N PRO A 23 -9.542 6.503 -1.375 1.00 0.00 N ATOM 314 CA PRO A 23 -10.626 7.354 -0.859 1.00 0.00 C ATOM 315 C PRO A 23 -10.622 7.484 0.667 1.00 0.00 C ATOM 316 O PRO A 23 -10.906 8.542 1.221 1.00 0.00 O ATOM 317 CB PRO A 23 -11.889 6.643 -1.351 1.00 0.00 C ATOM 318 CG PRO A 23 -11.475 5.240 -1.617 1.00 0.00 C ATOM 319 CD PRO A 23 -10.062 5.310 -2.080 1.00 0.00 C ATOM 0 HA PRO A 23 -10.534 8.383 -1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.680 6.684 -0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.279 7.115 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.561 4.631 -0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.112 4.782 -2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.506 4.411 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.996 5.420 -3.162 1.00 0.00 H new ATOM 327 N PHE A 24 -10.253 6.425 1.316 1.00 0.00 N ATOM 328 CA PHE A 24 -10.225 6.363 2.757 1.00 0.00 C ATOM 329 C PHE A 24 -8.879 6.783 3.328 1.00 0.00 C ATOM 330 O PHE A 24 -8.750 6.992 4.530 1.00 0.00 O ATOM 331 CB PHE A 24 -10.635 4.962 3.230 1.00 0.00 C ATOM 332 CG PHE A 24 -10.071 3.868 2.376 1.00 0.00 C ATOM 333 CD1 PHE A 24 -8.798 3.388 2.578 1.00 0.00 C ATOM 334 CD2 PHE A 24 -10.820 3.350 1.338 1.00 0.00 C ATOM 335 CE1 PHE A 24 -8.285 2.408 1.767 1.00 0.00 C ATOM 336 CE2 PHE A 24 -10.313 2.378 0.521 1.00 0.00 C ATOM 337 CZ PHE A 24 -9.041 1.901 0.734 1.00 0.00 C ATOM 0 H PHE A 24 -9.957 5.562 0.860 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.949 7.082 3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.303 4.820 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.723 4.889 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.197 3.786 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.821 3.718 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.287 2.034 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.910 1.986 -0.289 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.636 1.131 0.093 1.00 0.00 H new ATOM 347 N CYS A 25 -7.888 6.960 2.481 1.00 0.00 N ATOM 348 CA CYS A 25 -6.578 7.342 2.973 1.00 0.00 C ATOM 349 C CYS A 25 -6.407 8.825 2.937 1.00 0.00 C ATOM 350 O CYS A 25 -5.733 9.386 2.067 1.00 0.00 O ATOM 351 CB CYS A 25 -5.438 6.635 2.258 1.00 0.00 C ATOM 352 SG CYS A 25 -5.545 4.822 2.317 1.00 0.00 S ATOM 0 H CYS A 25 -7.958 6.849 1.469 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.530 7.012 4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.422 6.955 1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.493 6.948 2.702 1.00 0.00 H new