USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=4 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= 1.09 X(o=1.7,f=1.5) USER MOD Set 1.2: A 22 TYR OH : rot -116:sc= 0.573 USER MOD Single : A 11 SER OG : rot -82:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= 1.26 (180deg=0.823) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ASP A 9 -0.814 -0.390 0.959 1.00 0.00 N ATOM 109 CA ASP A 9 -1.440 -0.340 2.296 1.00 0.00 C ATOM 110 C ASP A 9 -1.766 1.102 2.633 1.00 0.00 C ATOM 111 O ASP A 9 -0.967 2.001 2.336 1.00 0.00 O ATOM 112 CB ASP A 9 -0.525 -0.906 3.392 1.00 0.00 C ATOM 113 CG ASP A 9 -1.211 -0.985 4.766 1.00 0.00 C ATOM 114 OD1 ASP A 9 -1.395 0.060 5.424 1.00 0.00 O ATOM 115 OD2 ASP A 9 -1.556 -2.097 5.215 1.00 0.00 O ATOM 0 HA ASP A 9 -2.340 -0.954 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.192 -1.902 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.366 -0.283 3.472 1.00 0.00 H new ATOM 120 N CYS A 10 -2.906 1.310 3.255 1.00 0.00 N ATOM 121 CA CYS A 10 -3.409 2.627 3.636 1.00 0.00 C ATOM 122 C CYS A 10 -2.370 3.432 4.432 1.00 0.00 C ATOM 123 O CYS A 10 -2.119 4.623 4.138 1.00 0.00 O ATOM 124 CB CYS A 10 -4.693 2.471 4.461 1.00 0.00 C ATOM 125 SG CYS A 10 -5.536 4.033 4.825 1.00 0.00 S ATOM 0 H CYS A 10 -3.532 0.550 3.521 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.621 3.179 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.380 1.817 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.450 1.975 5.401 1.00 0.00 H new ATOM 130 N SER A 11 -1.698 2.768 5.370 1.00 0.00 N ATOM 131 CA SER A 11 -0.733 3.435 6.216 1.00 0.00 C ATOM 132 C SER A 11 0.456 3.888 5.388 1.00 0.00 C ATOM 133 O SER A 11 1.017 4.959 5.602 1.00 0.00 O ATOM 134 CB SER A 11 -0.292 2.522 7.377 1.00 0.00 C ATOM 135 OG SER A 11 0.296 1.308 6.907 1.00 0.00 O ATOM 0 H SER A 11 -1.809 1.771 5.557 1.00 0.00 H new ATOM 0 HA SER A 11 -1.202 4.315 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.424 3.053 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.153 2.289 8.003 1.00 0.00 H new ATOM 0 HG SER A 11 -0.411 0.667 6.684 1.00 0.00 H new ATOM 141 N LYS A 12 0.771 3.101 4.381 1.00 0.00 N ATOM 142 CA LYS A 12 1.879 3.378 3.529 1.00 0.00 C ATOM 143 C LYS A 12 1.567 4.469 2.541 1.00 0.00 C ATOM 144 O LYS A 12 2.451 5.199 2.119 1.00 0.00 O ATOM 145 CB LYS A 12 2.357 2.135 2.847 1.00 0.00 C ATOM 146 CG LYS A 12 2.875 1.131 3.839 1.00 0.00 C ATOM 147 CD LYS A 12 3.413 -0.089 3.170 1.00 0.00 C ATOM 148 CE LYS A 12 4.655 0.202 2.343 1.00 0.00 C ATOM 149 NZ LYS A 12 5.786 0.712 3.162 1.00 0.00 N ATOM 0 H LYS A 12 0.258 2.253 4.140 1.00 0.00 H new ATOM 0 HA LYS A 12 2.691 3.744 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.541 1.695 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.145 2.387 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.659 1.589 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.073 0.847 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.650 -0.839 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.644 -0.516 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.966 -0.708 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.410 0.934 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.681 0.545 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.665 1.732 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.804 0.216 4.076 1.00 0.00 H new ATOM 163 N GLN A 13 0.297 4.632 2.214 1.00 0.00 N ATOM 164 CA GLN A 13 -0.093 5.671 1.316 1.00 0.00 C ATOM 165 C GLN A 13 0.109 7.013 1.993 1.00 0.00 C ATOM 166 O GLN A 13 0.511 7.984 1.362 1.00 0.00 O ATOM 167 CB GLN A 13 -1.538 5.498 0.839 1.00 0.00 C ATOM 168 CG GLN A 13 -1.846 4.137 0.200 1.00 0.00 C ATOM 169 CD GLN A 13 -0.728 3.618 -0.696 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.655 3.916 -1.883 1.00 0.00 O ATOM 171 NE2 GLN A 13 0.115 2.800 -0.137 1.00 0.00 N ATOM 0 H GLN A 13 -0.468 4.054 2.562 1.00 0.00 H new ATOM 0 HA GLN A 13 0.533 5.620 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.206 5.645 1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.764 6.282 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.036 3.409 0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.762 4.219 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.025 2.574 0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.866 2.385 -0.689 1.00 0.00 H new ATOM 180 N CYS A 14 -0.124 7.055 3.288 1.00 0.00 N ATOM 181 CA CYS A 14 0.125 8.268 4.055 1.00 0.00 C ATOM 182 C CYS A 14 1.584 8.330 4.541 1.00 0.00 C ATOM 183 O CYS A 14 2.052 9.351 5.039 1.00 0.00 O ATOM 184 CB CYS A 14 -0.883 8.408 5.193 1.00 0.00 C ATOM 185 SG CYS A 14 -2.610 8.553 4.599 1.00 0.00 S ATOM 0 H CYS A 14 -0.483 6.271 3.833 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.018 9.127 3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.802 7.544 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.633 9.287 5.787 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.411 8.666 5.617 1.00 0.00 H new ATOM 190 N GLU A 15 2.299 7.236 4.359 1.00 0.00 N ATOM 191 CA GLU A 15 3.721 7.152 4.672 1.00 0.00 C ATOM 192 C GLU A 15 4.508 7.803 3.541 1.00 0.00 C ATOM 193 O GLU A 15 5.523 8.479 3.760 1.00 0.00 O ATOM 194 CB GLU A 15 4.086 5.675 4.759 1.00 0.00 C ATOM 195 CG GLU A 15 5.529 5.341 5.020 1.00 0.00 C ATOM 196 CD GLU A 15 5.750 3.853 4.993 1.00 0.00 C ATOM 197 OE1 GLU A 15 5.541 3.196 6.029 1.00 0.00 O ATOM 198 OE2 GLU A 15 6.131 3.302 3.927 1.00 0.00 O ATOM 0 H GLU A 15 1.909 6.370 3.986 1.00 0.00 H new ATOM 0 HA GLU A 15 3.949 7.657 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.486 5.224 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.792 5.198 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.158 5.820 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.829 5.740 5.989 1.00 0.00 H new ATOM 205 N GLU A 16 4.000 7.630 2.341 1.00 0.00 N ATOM 206 CA GLU A 16 4.594 8.200 1.155 1.00 0.00 C ATOM 207 C GLU A 16 4.006 9.572 0.904 1.00 0.00 C ATOM 208 O GLU A 16 4.622 10.421 0.258 1.00 0.00 O ATOM 209 CB GLU A 16 4.352 7.284 -0.044 1.00 0.00 C ATOM 210 CG GLU A 16 4.899 5.887 0.161 1.00 0.00 C ATOM 211 CD GLU A 16 4.693 4.981 -1.022 1.00 0.00 C ATOM 212 OE1 GLU A 16 5.523 5.001 -1.957 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.745 4.180 -1.021 1.00 0.00 O ATOM 0 H GLU A 16 3.157 7.085 2.161 1.00 0.00 H new ATOM 0 HA GLU A 16 5.670 8.299 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.281 7.224 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.813 7.723 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.965 5.951 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.422 5.444 1.035 1.00 0.00 H new ATOM 220 N GLY A 17 2.823 9.786 1.441 1.00 0.00 N ATOM 221 CA GLY A 17 2.156 11.050 1.294 1.00 0.00 C ATOM 222 C GLY A 17 1.447 11.137 -0.026 1.00 0.00 C ATOM 223 O GLY A 17 1.695 12.040 -0.816 1.00 0.00 O ATOM 0 H GLY A 17 2.307 9.094 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.439 11.183 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.882 11.859 1.374 1.00 0.00 H new ATOM 227 N ILE A 18 0.611 10.166 -0.296 1.00 0.00 N ATOM 228 CA ILE A 18 -0.139 10.152 -1.520 1.00 0.00 C ATOM 229 C ILE A 18 -1.539 10.703 -1.261 1.00 0.00 C ATOM 230 O ILE A 18 -1.788 11.887 -1.469 1.00 0.00 O ATOM 231 CB ILE A 18 -0.211 8.729 -2.151 1.00 0.00 C ATOM 232 CG1 ILE A 18 1.198 8.115 -2.228 1.00 0.00 C ATOM 233 CG2 ILE A 18 -0.816 8.813 -3.556 1.00 0.00 C ATOM 234 CD1 ILE A 18 1.236 6.697 -2.764 1.00 0.00 C ATOM 0 H ILE A 18 0.434 9.373 0.321 1.00 0.00 H new ATOM 0 HA ILE A 18 0.376 10.786 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.841 8.096 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.822 8.746 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.641 8.126 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.864 7.815 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.821 9.231 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.194 9.453 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.267 6.343 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.642 6.049 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.826 6.679 -3.774 1.00 0.00 H new ATOM 246 N GLY A 19 -2.432 9.854 -0.750 1.00 0.00 N ATOM 247 CA GLY A 19 -3.793 10.290 -0.475 1.00 0.00 C ATOM 248 C GLY A 19 -4.566 10.549 -1.748 1.00 0.00 C ATOM 249 O GLY A 19 -5.474 11.385 -1.791 1.00 0.00 O ATOM 0 H GLY A 19 -2.239 8.879 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.306 9.530 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.769 11.198 0.127 1.00 0.00 H new ATOM 253 N HIS A 20 -4.206 9.844 -2.783 1.00 0.00 N ATOM 254 CA HIS A 20 -4.801 10.033 -4.076 1.00 0.00 C ATOM 255 C HIS A 20 -5.333 8.703 -4.526 1.00 0.00 C ATOM 256 O HIS A 20 -4.576 7.741 -4.554 1.00 0.00 O ATOM 257 CB HIS A 20 -3.730 10.541 -5.050 1.00 0.00 C ATOM 258 CG HIS A 20 -4.263 11.091 -6.344 1.00 0.00 C ATOM 259 ND1 HIS A 20 -4.542 12.425 -6.542 1.00 0.00 N ATOM 260 CD2 HIS A 20 -4.555 10.476 -7.514 1.00 0.00 C ATOM 261 CE1 HIS A 20 -4.989 12.584 -7.785 1.00 0.00 C ATOM 262 NE2 HIS A 20 -5.015 11.426 -8.427 1.00 0.00 N ATOM 0 H HIS A 20 -3.489 9.119 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.609 10.764 -4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.147 11.317 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.045 9.723 -5.274 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.449 9.419 -7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.290 13.529 -8.212 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.310 11.262 -9.390 1.00 0.00 H new ATOM 270 N LYS A 21 -6.628 8.651 -4.859 1.00 0.00 N ATOM 271 CA LYS A 21 -7.341 7.409 -5.247 1.00 0.00 C ATOM 272 C LYS A 21 -7.623 6.544 -4.045 1.00 0.00 C ATOM 273 O LYS A 21 -8.023 5.381 -4.179 1.00 0.00 O ATOM 274 CB LYS A 21 -6.590 6.608 -6.322 1.00 0.00 C ATOM 275 CG LYS A 21 -6.530 7.281 -7.676 1.00 0.00 C ATOM 276 CD LYS A 21 -5.554 6.576 -8.607 1.00 0.00 C ATOM 277 CE LYS A 21 -5.887 5.102 -8.797 1.00 0.00 C ATOM 278 NZ LYS A 21 -4.914 4.434 -9.678 1.00 0.00 N ATOM 0 H LYS A 21 -7.226 9.477 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.290 7.722 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.573 6.424 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.069 5.636 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.523 7.286 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.230 8.322 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.559 7.074 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.544 6.668 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.902 4.604 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.887 5.006 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.173 3.432 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.918 4.893 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.964 4.504 -9.262 1.00 0.00 H new ATOM 292 N TYR A 22 -7.457 7.112 -2.869 1.00 0.00 N ATOM 293 CA TYR A 22 -7.663 6.379 -1.642 1.00 0.00 C ATOM 294 C TYR A 22 -8.670 7.140 -0.804 1.00 0.00 C ATOM 295 O TYR A 22 -8.294 7.923 0.054 1.00 0.00 O ATOM 296 CB TYR A 22 -6.330 6.196 -0.852 1.00 0.00 C ATOM 297 CG TYR A 22 -5.161 5.764 -1.718 1.00 0.00 C ATOM 298 CD1 TYR A 22 -5.311 4.748 -2.648 1.00 0.00 C ATOM 299 CD2 TYR A 22 -3.934 6.421 -1.665 1.00 0.00 C ATOM 300 CE1 TYR A 22 -4.293 4.385 -3.479 1.00 0.00 C ATOM 301 CE2 TYR A 22 -2.913 6.062 -2.504 1.00 0.00 C ATOM 302 CZ TYR A 22 -3.095 5.042 -3.406 1.00 0.00 C ATOM 303 OH TYR A 22 -2.067 4.686 -4.236 1.00 0.00 O ATOM 0 H TYR A 22 -7.178 8.085 -2.739 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.034 5.381 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.078 7.135 -0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.482 5.455 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.257 4.231 -2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.786 7.221 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.431 3.584 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.966 6.580 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.322 4.338 -3.703 1.00 0.00 H new ATOM 313 N PRO A 23 -9.975 6.964 -1.075 1.00 0.00 N ATOM 314 CA PRO A 23 -11.028 7.714 -0.380 1.00 0.00 C ATOM 315 C PRO A 23 -11.084 7.362 1.098 1.00 0.00 C ATOM 316 O PRO A 23 -11.377 8.192 1.947 1.00 0.00 O ATOM 317 CB PRO A 23 -12.314 7.291 -1.104 1.00 0.00 C ATOM 318 CG PRO A 23 -11.995 5.987 -1.737 1.00 0.00 C ATOM 319 CD PRO A 23 -10.533 6.028 -2.077 1.00 0.00 C ATOM 0 HA PRO A 23 -10.862 8.791 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.146 7.197 -0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.607 8.030 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.213 5.162 -1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.598 5.832 -2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.075 5.041 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.367 6.382 -3.094 1.00 0.00 H new ATOM 327 N PHE A 24 -10.715 6.151 1.376 1.00 0.00 N ATOM 328 CA PHE A 24 -10.694 5.600 2.705 1.00 0.00 C ATOM 329 C PHE A 24 -9.407 5.958 3.444 1.00 0.00 C ATOM 330 O PHE A 24 -9.208 5.550 4.580 1.00 0.00 O ATOM 331 CB PHE A 24 -10.898 4.070 2.628 1.00 0.00 C ATOM 332 CG PHE A 24 -10.198 3.434 1.456 1.00 0.00 C ATOM 333 CD1 PHE A 24 -8.877 3.050 1.526 1.00 0.00 C ATOM 334 CD2 PHE A 24 -10.871 3.265 0.265 1.00 0.00 C ATOM 335 CE1 PHE A 24 -8.244 2.504 0.429 1.00 0.00 C ATOM 336 CE2 PHE A 24 -10.252 2.734 -0.830 1.00 0.00 C ATOM 337 CZ PHE A 24 -8.933 2.347 -0.755 1.00 0.00 C ATOM 0 H PHE A 24 -10.408 5.491 0.662 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.511 6.037 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.535 3.615 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.965 3.855 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.331 3.178 2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.908 3.558 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.210 2.200 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.797 2.618 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.441 1.923 -1.618 1.00 0.00 H new ATOM 347 N CYS A 25 -8.536 6.715 2.799 1.00 0.00 N ATOM 348 CA CYS A 25 -7.286 7.114 3.408 1.00 0.00 C ATOM 349 C CYS A 25 -6.998 8.567 3.138 1.00 0.00 C ATOM 350 O CYS A 25 -6.498 8.917 2.061 1.00 0.00 O ATOM 351 CB CYS A 25 -6.124 6.271 2.882 1.00 0.00 C ATOM 352 SG CYS A 25 -6.359 4.485 3.043 1.00 0.00 S ATOM 0 H CYS A 25 -8.675 7.065 1.851 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.385 6.957 4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.965 6.510 1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.216 6.555 3.414 1.00 0.00 H new