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= 1.18 K(o=1.7,f=-0.58!) USER MOD Set 1.2: A 22 TYR OH : rot 180:sc= 0.501 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 1.04 (180deg=0.246) USER MOD Single : A 14 CYS SG : rot 147:sc= -3.98! USER MOD Single : A 20 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ASP A 9 -1.964 0.054 0.368 1.00 0.00 N ATOM 109 CA ASP A 9 -1.909 -0.061 1.833 1.00 0.00 C ATOM 110 C ASP A 9 -2.060 1.305 2.427 1.00 0.00 C ATOM 111 O ASP A 9 -1.149 2.140 2.316 1.00 0.00 O ATOM 112 CB ASP A 9 -0.596 -0.613 2.328 1.00 0.00 C ATOM 113 CG ASP A 9 -0.656 -1.000 3.802 1.00 0.00 C ATOM 114 OD1 ASP A 9 -0.815 -0.126 4.661 1.00 0.00 O ATOM 115 OD2 ASP A 9 -0.471 -2.192 4.130 1.00 0.00 O ATOM 0 HA ASP A 9 -2.707 -0.742 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.324 -1.486 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.188 0.130 2.180 1.00 0.00 H new ATOM 120 N CYS A 10 -3.145 1.503 3.104 1.00 0.00 N ATOM 121 CA CYS A 10 -3.532 2.788 3.628 1.00 0.00 C ATOM 122 C CYS A 10 -2.455 3.410 4.539 1.00 0.00 C ATOM 123 O CYS A 10 -2.290 4.647 4.583 1.00 0.00 O ATOM 124 CB CYS A 10 -4.849 2.655 4.380 1.00 0.00 C ATOM 125 SG CYS A 10 -5.652 4.237 4.654 1.00 0.00 S ATOM 0 H CYS A 10 -3.810 0.759 3.318 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.652 3.464 2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.519 2.004 3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.667 2.173 5.341 1.00 0.00 H new ATOM 130 N SER A 11 -1.697 2.575 5.227 1.00 0.00 N ATOM 131 CA SER A 11 -0.696 3.067 6.116 1.00 0.00 C ATOM 132 C SER A 11 0.484 3.644 5.338 1.00 0.00 C ATOM 133 O SER A 11 0.905 4.771 5.584 1.00 0.00 O ATOM 134 CB SER A 11 -0.240 1.970 7.062 1.00 0.00 C ATOM 135 OG SER A 11 -1.351 1.357 7.724 1.00 0.00 O ATOM 0 H SER A 11 -1.766 1.559 5.178 1.00 0.00 H new ATOM 0 HA SER A 11 -1.129 3.871 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.316 1.215 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.442 2.387 7.803 1.00 0.00 H new ATOM 0 HG SER A 11 -1.027 0.654 8.325 1.00 0.00 H new ATOM 141 N LYS A 12 0.930 2.912 4.336 1.00 0.00 N ATOM 142 CA LYS A 12 2.119 3.290 3.579 1.00 0.00 C ATOM 143 C LYS A 12 1.834 4.496 2.737 1.00 0.00 C ATOM 144 O LYS A 12 2.639 5.430 2.666 1.00 0.00 O ATOM 145 CB LYS A 12 2.604 2.157 2.664 1.00 0.00 C ATOM 146 CG LYS A 12 3.247 0.938 3.325 1.00 0.00 C ATOM 147 CD LYS A 12 2.329 0.236 4.291 1.00 0.00 C ATOM 148 CE LYS A 12 2.829 -1.137 4.601 1.00 0.00 C ATOM 149 NZ LYS A 12 1.930 -1.876 5.532 1.00 0.00 N ATOM 0 H LYS A 12 0.488 2.048 4.022 1.00 0.00 H new ATOM 0 HA LYS A 12 2.902 3.508 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.753 1.811 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.324 2.577 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.558 0.235 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.148 1.251 3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.251 0.815 5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.327 0.175 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.929 -1.701 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.824 -1.067 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.461 -2.643 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.568 -1.223 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.133 -2.278 4.999 1.00 0.00 H new ATOM 163 N GLN A 13 0.674 4.488 2.121 1.00 0.00 N ATOM 164 CA GLN A 13 0.278 5.549 1.237 1.00 0.00 C ATOM 165 C GLN A 13 0.165 6.882 1.984 1.00 0.00 C ATOM 166 O GLN A 13 0.537 7.945 1.458 1.00 0.00 O ATOM 167 CB GLN A 13 -1.020 5.208 0.516 1.00 0.00 C ATOM 168 CG GLN A 13 -1.042 3.823 -0.154 1.00 0.00 C ATOM 169 CD GLN A 13 0.259 3.436 -0.850 1.00 0.00 C ATOM 170 OE1 GLN A 13 1.140 2.820 -0.242 1.00 0.00 O ATOM 171 NE2 GLN A 13 0.390 3.742 -2.101 1.00 0.00 N ATOM 0 H GLN A 13 -0.017 3.745 2.221 1.00 0.00 H new ATOM 0 HA GLN A 13 1.057 5.660 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.841 5.263 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.207 5.967 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.273 3.072 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.851 3.800 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.352 4.251 -2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.235 3.474 -2.606 1.00 0.00 H new ATOM 180 N CYS A 14 -0.313 6.846 3.212 1.00 0.00 N ATOM 181 CA CYS A 14 -0.371 8.069 3.985 1.00 0.00 C ATOM 182 C CYS A 14 0.986 8.477 4.529 1.00 0.00 C ATOM 183 O CYS A 14 1.223 9.655 4.772 1.00 0.00 O ATOM 184 CB CYS A 14 -1.441 8.053 5.054 1.00 0.00 C ATOM 185 SG CYS A 14 -3.144 8.134 4.409 1.00 0.00 S ATOM 0 H CYS A 14 -0.657 6.010 3.684 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.671 8.846 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.332 7.145 5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.279 8.895 5.727 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.934 7.452 5.184 1.00 0.00 H new ATOM 190 N GLU A 15 1.896 7.524 4.673 1.00 0.00 N ATOM 191 CA GLU A 15 3.259 7.851 5.069 1.00 0.00 C ATOM 192 C GLU A 15 3.989 8.586 3.943 1.00 0.00 C ATOM 193 O GLU A 15 4.947 9.322 4.184 1.00 0.00 O ATOM 194 CB GLU A 15 4.037 6.623 5.533 1.00 0.00 C ATOM 195 CG GLU A 15 3.555 6.055 6.862 1.00 0.00 C ATOM 196 CD GLU A 15 3.685 7.047 7.998 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.775 7.161 8.588 1.00 0.00 O ATOM 198 OE2 GLU A 15 2.699 7.743 8.330 1.00 0.00 O ATOM 0 H GLU A 15 1.719 6.531 4.524 1.00 0.00 H new ATOM 0 HA GLU A 15 3.197 8.520 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.964 5.848 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.091 6.885 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.513 5.751 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.128 5.159 7.099 1.00 0.00 H new ATOM 205 N GLU A 16 3.542 8.375 2.720 1.00 0.00 N ATOM 206 CA GLU A 16 4.064 9.125 1.584 1.00 0.00 C ATOM 207 C GLU A 16 3.323 10.456 1.482 1.00 0.00 C ATOM 208 O GLU A 16 3.834 11.443 0.948 1.00 0.00 O ATOM 209 CB GLU A 16 3.882 8.349 0.286 1.00 0.00 C ATOM 210 CG GLU A 16 4.571 7.005 0.256 1.00 0.00 C ATOM 211 CD GLU A 16 4.467 6.351 -1.093 1.00 0.00 C ATOM 212 OE1 GLU A 16 5.349 6.589 -1.951 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.531 5.593 -1.328 1.00 0.00 O ATOM 0 H GLU A 16 2.821 7.694 2.484 1.00 0.00 H new ATOM 0 HA GLU A 16 5.130 9.293 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.816 8.200 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.257 8.954 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.621 7.130 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.129 6.354 1.010 1.00 0.00 H new ATOM 220 N GLY A 17 2.114 10.462 2.004 1.00 0.00 N ATOM 221 CA GLY A 17 1.289 11.640 1.981 1.00 0.00 C ATOM 222 C GLY A 17 0.640 11.818 0.643 1.00 0.00 C ATOM 223 O GLY A 17 0.425 12.937 0.189 1.00 0.00 O ATOM 0 H GLY A 17 1.683 9.654 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.523 11.566 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.894 12.516 2.215 1.00 0.00 H new ATOM 227 N ILE A 18 0.339 10.714 -0.005 1.00 0.00 N ATOM 228 CA ILE A 18 -0.244 10.768 -1.303 1.00 0.00 C ATOM 229 C ILE A 18 -1.773 10.838 -1.289 1.00 0.00 C ATOM 230 O ILE A 18 -2.337 11.850 -1.657 1.00 0.00 O ATOM 231 CB ILE A 18 0.333 9.708 -2.257 1.00 0.00 C ATOM 232 CG1 ILE A 18 0.310 8.311 -1.649 1.00 0.00 C ATOM 233 CG2 ILE A 18 1.759 10.101 -2.645 1.00 0.00 C ATOM 234 CD1 ILE A 18 0.919 7.268 -2.545 1.00 0.00 C ATOM 0 H ILE A 18 0.493 9.773 0.357 1.00 0.00 H new ATOM 0 HA ILE A 18 0.058 11.726 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.297 9.674 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.847 8.325 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.721 8.034 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.172 9.352 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.747 11.071 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.377 10.160 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.872 6.295 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.367 7.228 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.959 7.523 -2.746 1.00 0.00 H new ATOM 246 N GLY A 19 -2.442 9.775 -0.870 1.00 0.00 N ATOM 247 CA GLY A 19 -3.917 9.776 -0.779 1.00 0.00 C ATOM 248 C GLY A 19 -4.629 9.674 -2.126 1.00 0.00 C ATOM 249 O GLY A 19 -5.830 9.421 -2.185 1.00 0.00 O ATOM 0 H GLY A 19 -2.002 8.900 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.231 8.942 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.238 10.690 -0.280 1.00 0.00 H new ATOM 253 N HIS A 20 -3.880 9.826 -3.196 1.00 0.00 N ATOM 254 CA HIS A 20 -4.416 9.750 -4.535 1.00 0.00 C ATOM 255 C HIS A 20 -4.777 8.318 -4.831 1.00 0.00 C ATOM 256 O HIS A 20 -3.892 7.461 -4.892 1.00 0.00 O ATOM 257 CB HIS A 20 -3.385 10.283 -5.545 1.00 0.00 C ATOM 258 CG HIS A 20 -3.832 10.287 -6.985 1.00 0.00 C ATOM 259 ND1 HIS A 20 -4.576 11.291 -7.559 1.00 0.00 N ATOM 260 CD2 HIS A 20 -3.608 9.384 -7.972 1.00 0.00 C ATOM 261 CE1 HIS A 20 -4.782 10.982 -8.840 1.00 0.00 C ATOM 262 NE2 HIS A 20 -4.212 9.828 -9.144 1.00 0.00 N ATOM 0 H HIS A 20 -2.877 10.007 -3.160 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.311 10.366 -4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.118 11.301 -5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.479 9.682 -5.465 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.049 8.466 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.339 11.592 -9.535 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.215 9.360 -10.050 1.00 0.00 H new ATOM 270 N LYS A 21 -6.079 8.080 -4.981 1.00 0.00 N ATOM 271 CA LYS A 21 -6.673 6.754 -5.224 1.00 0.00 C ATOM 272 C LYS A 21 -6.855 5.994 -3.938 1.00 0.00 C ATOM 273 O LYS A 21 -7.135 4.787 -3.946 1.00 0.00 O ATOM 274 CB LYS A 21 -5.929 5.911 -6.294 1.00 0.00 C ATOM 275 CG LYS A 21 -5.813 6.582 -7.660 1.00 0.00 C ATOM 276 CD LYS A 21 -7.171 6.964 -8.217 1.00 0.00 C ATOM 277 CE LYS A 21 -7.039 7.642 -9.558 1.00 0.00 C ATOM 278 NZ LYS A 21 -8.351 8.025 -10.122 1.00 0.00 N ATOM 0 H LYS A 21 -6.776 8.823 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.658 6.945 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.927 5.685 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.447 4.960 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.191 7.473 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.312 5.908 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.790 6.072 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.680 7.629 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.417 8.531 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.528 6.975 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.211 8.487 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.937 7.175 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.829 8.683 -9.474 1.00 0.00 H new ATOM 292 N TYR A 22 -6.743 6.698 -2.819 1.00 0.00 N ATOM 293 CA TYR A 22 -6.918 6.076 -1.522 1.00 0.00 C ATOM 294 C TYR A 22 -7.983 6.849 -0.732 1.00 0.00 C ATOM 295 O TYR A 22 -7.667 7.672 0.135 1.00 0.00 O ATOM 296 CB TYR A 22 -5.578 6.005 -0.749 1.00 0.00 C ATOM 297 CG TYR A 22 -4.423 5.579 -1.634 1.00 0.00 C ATOM 298 CD1 TYR A 22 -4.480 4.409 -2.364 1.00 0.00 C ATOM 299 CD2 TYR A 22 -3.312 6.378 -1.777 1.00 0.00 C ATOM 300 CE1 TYR A 22 -3.470 4.053 -3.219 1.00 0.00 C ATOM 301 CE2 TYR A 22 -2.294 6.032 -2.621 1.00 0.00 C ATOM 302 CZ TYR A 22 -2.377 4.872 -3.346 1.00 0.00 C ATOM 303 OH TYR A 22 -1.356 4.531 -4.188 1.00 0.00 O ATOM 0 H TYR A 22 -6.533 7.696 -2.788 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.256 5.049 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.359 6.981 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.676 5.303 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.338 3.761 -2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.243 7.296 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.534 3.137 -3.787 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.428 6.670 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.662 5.222 -4.157 1.00 0.00 H new ATOM 313 N PRO A 23 -9.275 6.628 -1.070 1.00 0.00 N ATOM 314 CA PRO A 23 -10.413 7.341 -0.450 1.00 0.00 C ATOM 315 C PRO A 23 -10.665 6.906 0.998 1.00 0.00 C ATOM 316 O PRO A 23 -11.384 7.554 1.745 1.00 0.00 O ATOM 317 CB PRO A 23 -11.589 6.945 -1.346 1.00 0.00 C ATOM 318 CG PRO A 23 -11.215 5.630 -1.908 1.00 0.00 C ATOM 319 CD PRO A 23 -9.737 5.683 -2.115 1.00 0.00 C ATOM 0 HA PRO A 23 -10.242 8.416 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.516 6.882 -0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.750 7.680 -2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.486 4.822 -1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.735 5.444 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.280 4.700 -1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.484 6.035 -3.115 1.00 0.00 H new ATOM 327 N PHE A 24 -10.039 5.830 1.372 1.00 0.00 N ATOM 328 CA PHE A 24 -10.148 5.261 2.699 1.00 0.00 C ATOM 329 C PHE A 24 -8.992 5.711 3.566 1.00 0.00 C ATOM 330 O PHE A 24 -8.795 5.216 4.674 1.00 0.00 O ATOM 331 CB PHE A 24 -10.239 3.714 2.616 1.00 0.00 C ATOM 332 CG PHE A 24 -9.323 3.108 1.583 1.00 0.00 C ATOM 333 CD1 PHE A 24 -9.734 3.044 0.271 1.00 0.00 C ATOM 334 CD2 PHE A 24 -8.067 2.639 1.908 1.00 0.00 C ATOM 335 CE1 PHE A 24 -8.932 2.537 -0.705 1.00 0.00 C ATOM 336 CE2 PHE A 24 -7.241 2.114 0.930 1.00 0.00 C ATOM 337 CZ PHE A 24 -7.675 2.064 -0.383 1.00 0.00 C ATOM 0 H PHE A 24 -9.421 5.304 0.754 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.065 5.621 3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.001 3.292 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.267 3.431 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.718 3.405 0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.726 2.682 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.277 2.505 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.260 1.744 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.034 1.657 -1.152 1.00 0.00 H new ATOM 347 N CYS A 25 -8.261 6.674 3.072 1.00 0.00 N ATOM 348 CA CYS A 25 -7.106 7.168 3.749 1.00 0.00 C ATOM 349 C CYS A 25 -7.134 8.660 3.792 1.00 0.00 C ATOM 350 O CYS A 25 -7.537 9.309 2.821 1.00 0.00 O ATOM 351 CB CYS A 25 -5.860 6.745 3.000 1.00 0.00 C ATOM 352 SG CYS A 25 -5.699 4.967 2.770 1.00 0.00 S ATOM 0 H CYS A 25 -8.456 7.136 2.184 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.100 6.765 4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.857 7.227 2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.985 7.110 3.538 1.00 0.00 H new