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 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= -0.605 K(o=-0.6,f=-5.2!) USER MOD Single : A 14 CYS SG : rot 73:sc= -0.191 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc=-0.00913 (180deg=-0.145) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ASP A 9 -0.995 -0.437 0.969 1.00 0.00 N ATOM 109 CA ASP A 9 -1.276 -0.157 2.383 1.00 0.00 C ATOM 110 C ASP A 9 -1.658 1.271 2.556 1.00 0.00 C ATOM 111 O ASP A 9 -0.850 2.153 2.304 1.00 0.00 O ATOM 112 CB ASP A 9 -0.114 -0.448 3.310 1.00 0.00 C ATOM 113 CG ASP A 9 -0.508 -0.227 4.748 1.00 0.00 C ATOM 114 OD1 ASP A 9 -1.311 -1.009 5.292 1.00 0.00 O ATOM 115 OD2 ASP A 9 -0.061 0.755 5.341 1.00 0.00 O ATOM 0 HA ASP A 9 -2.091 -0.827 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.217 -1.477 3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.729 0.195 3.056 1.00 0.00 H new ATOM 120 N CYS A 10 -2.859 1.497 3.020 1.00 0.00 N ATOM 121 CA CYS A 10 -3.407 2.826 3.195 1.00 0.00 C ATOM 122 C CYS A 10 -2.518 3.693 4.084 1.00 0.00 C ATOM 123 O CYS A 10 -2.307 4.875 3.798 1.00 0.00 O ATOM 124 CB CYS A 10 -4.822 2.740 3.760 1.00 0.00 C ATOM 125 SG CYS A 10 -5.645 4.348 3.975 1.00 0.00 S ATOM 0 H CYS A 10 -3.500 0.752 3.293 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.446 3.304 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.428 2.121 3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.785 2.233 4.724 1.00 0.00 H new ATOM 130 N SER A 11 -1.940 3.094 5.115 1.00 0.00 N ATOM 131 CA SER A 11 -1.090 3.816 6.013 1.00 0.00 C ATOM 132 C SER A 11 0.205 4.211 5.308 1.00 0.00 C ATOM 133 O SER A 11 0.727 5.307 5.510 1.00 0.00 O ATOM 134 CB SER A 11 -0.834 3.018 7.301 1.00 0.00 C ATOM 135 OG SER A 11 -0.061 3.759 8.228 1.00 0.00 O ATOM 0 H SER A 11 -2.053 2.106 5.340 1.00 0.00 H new ATOM 0 HA SER A 11 -1.596 4.734 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.786 2.745 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.319 2.089 7.058 1.00 0.00 H new ATOM 0 HG SER A 11 0.082 3.224 9.036 1.00 0.00 H new ATOM 141 N LYS A 12 0.685 3.345 4.446 1.00 0.00 N ATOM 142 CA LYS A 12 1.867 3.620 3.667 1.00 0.00 C ATOM 143 C LYS A 12 1.587 4.734 2.670 1.00 0.00 C ATOM 144 O LYS A 12 2.426 5.606 2.455 1.00 0.00 O ATOM 145 CB LYS A 12 2.334 2.378 2.930 1.00 0.00 C ATOM 146 CG LYS A 12 3.573 2.603 2.100 1.00 0.00 C ATOM 147 CD LYS A 12 4.052 1.333 1.457 1.00 0.00 C ATOM 148 CE LYS A 12 5.233 1.620 0.569 1.00 0.00 C ATOM 149 NZ LYS A 12 5.860 0.395 0.061 1.00 0.00 N ATOM 0 H LYS A 12 0.267 2.432 4.266 1.00 0.00 H new ATOM 0 HA LYS A 12 2.657 3.934 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.530 1.587 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.531 2.026 2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.364 3.344 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.363 3.012 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.330 0.610 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.248 0.885 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.912 2.236 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.970 2.199 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.668 0.644 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.192 -0.182 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.166 -0.146 -0.493 1.00 0.00 H new ATOM 163 N GLN A 13 0.393 4.715 2.085 1.00 0.00 N ATOM 164 CA GLN A 13 -0.003 5.731 1.130 1.00 0.00 C ATOM 165 C GLN A 13 0.005 7.087 1.824 1.00 0.00 C ATOM 166 O GLN A 13 0.451 8.096 1.266 1.00 0.00 O ATOM 167 CB GLN A 13 -1.410 5.464 0.574 1.00 0.00 C ATOM 168 CG GLN A 13 -1.705 4.022 0.141 1.00 0.00 C ATOM 169 CD GLN A 13 -0.768 3.430 -0.905 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.412 3.772 -0.998 1.00 0.00 O ATOM 171 NE2 GLN A 13 -1.284 2.526 -1.681 1.00 0.00 N ATOM 0 H GLN A 13 -0.315 4.002 2.260 1.00 0.00 H new ATOM 0 HA GLN A 13 0.701 5.714 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.138 5.749 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.570 6.118 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.677 3.386 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.722 3.982 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.265 2.265 -1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.709 2.077 -2.393 1.00 0.00 H new ATOM 180 N CYS A 14 -0.476 7.089 3.052 1.00 0.00 N ATOM 181 CA CYS A 14 -0.496 8.272 3.890 1.00 0.00 C ATOM 182 C CYS A 14 0.915 8.704 4.268 1.00 0.00 C ATOM 183 O CYS A 14 1.221 9.895 4.280 1.00 0.00 O ATOM 184 CB CYS A 14 -1.326 8.018 5.143 1.00 0.00 C ATOM 185 SG CYS A 14 -3.086 7.683 4.808 1.00 0.00 S ATOM 0 H CYS A 14 -0.868 6.261 3.500 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.954 9.081 3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.901 7.171 5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.250 8.885 5.799 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.212 6.492 4.301 1.00 0.00 H new ATOM 190 N GLU A 15 1.774 7.739 4.531 1.00 0.00 N ATOM 191 CA GLU A 15 3.149 7.991 4.895 1.00 0.00 C ATOM 192 C GLU A 15 3.913 8.600 3.710 1.00 0.00 C ATOM 193 O GLU A 15 4.818 9.411 3.884 1.00 0.00 O ATOM 194 CB GLU A 15 3.795 6.684 5.328 1.00 0.00 C ATOM 195 CG GLU A 15 5.162 6.844 5.925 1.00 0.00 C ATOM 196 CD GLU A 15 5.135 7.652 7.190 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.821 7.090 8.256 1.00 0.00 O ATOM 198 OE2 GLU A 15 5.448 8.852 7.155 1.00 0.00 O ATOM 0 H GLU A 15 1.532 6.749 4.497 1.00 0.00 H new ATOM 0 HA GLU A 15 3.182 8.703 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.148 6.195 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.862 6.021 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.584 5.861 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.819 7.326 5.201 1.00 0.00 H new ATOM 205 N GLU A 16 3.544 8.187 2.517 1.00 0.00 N ATOM 206 CA GLU A 16 4.125 8.712 1.293 1.00 0.00 C ATOM 207 C GLU A 16 3.432 9.986 0.850 1.00 0.00 C ATOM 208 O GLU A 16 3.888 10.668 -0.078 1.00 0.00 O ATOM 209 CB GLU A 16 4.082 7.662 0.196 1.00 0.00 C ATOM 210 CG GLU A 16 5.112 6.577 0.375 1.00 0.00 C ATOM 211 CD GLU A 16 6.505 7.117 0.196 1.00 0.00 C ATOM 212 OE1 GLU A 16 7.109 7.623 1.163 1.00 0.00 O ATOM 213 OE2 GLU A 16 7.031 7.052 -0.933 1.00 0.00 O ATOM 0 H GLU A 16 2.830 7.475 2.364 1.00 0.00 H new ATOM 0 HA GLU A 16 5.167 8.962 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.090 7.212 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.237 8.146 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.014 6.138 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.933 5.779 -0.345 1.00 0.00 H new ATOM 220 N GLY A 17 2.321 10.282 1.490 1.00 0.00 N ATOM 221 CA GLY A 17 1.593 11.494 1.221 1.00 0.00 C ATOM 222 C GLY A 17 0.890 11.451 -0.104 1.00 0.00 C ATOM 223 O GLY A 17 0.719 12.477 -0.758 1.00 0.00 O ATOM 0 H GLY A 17 1.902 9.690 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.862 11.660 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.280 12.340 1.239 1.00 0.00 H new ATOM 227 N ILE A 18 0.467 10.274 -0.502 1.00 0.00 N ATOM 228 CA ILE A 18 -0.184 10.124 -1.777 1.00 0.00 C ATOM 229 C ILE A 18 -1.658 10.492 -1.644 1.00 0.00 C ATOM 230 O ILE A 18 -2.063 11.573 -2.034 1.00 0.00 O ATOM 231 CB ILE A 18 -0.057 8.683 -2.351 1.00 0.00 C ATOM 232 CG1 ILE A 18 1.396 8.207 -2.294 1.00 0.00 C ATOM 233 CG2 ILE A 18 -0.547 8.658 -3.803 1.00 0.00 C ATOM 234 CD1 ILE A 18 1.588 6.777 -2.757 1.00 0.00 C ATOM 0 H ILE A 18 0.562 9.413 0.036 1.00 0.00 H new ATOM 0 HA ILE A 18 0.316 10.795 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.670 8.014 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.009 8.864 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.759 8.300 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.456 7.647 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.591 8.970 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.057 9.339 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.643 6.511 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.003 6.108 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.256 6.682 -3.791 1.00 0.00 H new ATOM 246 N GLY A 19 -2.450 9.576 -1.080 1.00 0.00 N ATOM 247 CA GLY A 19 -3.892 9.800 -0.893 1.00 0.00 C ATOM 248 C GLY A 19 -4.697 9.729 -2.196 1.00 0.00 C ATOM 249 O GLY A 19 -5.929 9.664 -2.177 1.00 0.00 O ATOM 0 H GLY A 19 -2.120 8.671 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.279 9.058 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.043 10.777 -0.435 1.00 0.00 H new ATOM 253 N HIS A 20 -3.998 9.694 -3.305 1.00 0.00 N ATOM 254 CA HIS A 20 -4.601 9.710 -4.616 1.00 0.00 C ATOM 255 C HIS A 20 -5.178 8.352 -4.953 1.00 0.00 C ATOM 256 O HIS A 20 -4.458 7.370 -4.955 1.00 0.00 O ATOM 257 CB HIS A 20 -3.556 10.130 -5.663 1.00 0.00 C ATOM 258 CG HIS A 20 -4.104 10.297 -7.049 1.00 0.00 C ATOM 259 ND1 HIS A 20 -3.569 9.706 -8.170 1.00 0.00 N ATOM 260 CD2 HIS A 20 -5.153 11.029 -7.479 1.00 0.00 C ATOM 261 CE1 HIS A 20 -4.294 10.086 -9.224 1.00 0.00 C ATOM 262 NE2 HIS A 20 -5.273 10.895 -8.856 1.00 0.00 N ATOM 0 H HIS A 20 -2.979 9.653 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.416 10.433 -4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.101 11.070 -5.349 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.762 9.384 -5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.798 11.625 -6.851 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.106 9.775 -10.241 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.971 11.330 -9.459 1.00 0.00 H new ATOM 270 N LYS A 21 -6.482 8.320 -5.237 1.00 0.00 N ATOM 271 CA LYS A 21 -7.227 7.093 -5.571 1.00 0.00 C ATOM 272 C LYS A 21 -7.392 6.202 -4.363 1.00 0.00 C ATOM 273 O LYS A 21 -7.718 5.018 -4.484 1.00 0.00 O ATOM 274 CB LYS A 21 -6.604 6.327 -6.754 1.00 0.00 C ATOM 275 CG LYS A 21 -6.511 7.150 -8.033 1.00 0.00 C ATOM 276 CD LYS A 21 -5.909 6.356 -9.184 1.00 0.00 C ATOM 277 CE LYS A 21 -6.821 5.223 -9.652 1.00 0.00 C ATOM 278 NZ LYS A 21 -8.096 5.721 -10.223 1.00 0.00 N ATOM 0 H LYS A 21 -7.064 9.157 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.220 7.409 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.605 5.993 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.196 5.433 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.506 7.496 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.905 8.037 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.710 7.027 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.950 5.942 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.300 4.627 -10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.036 4.563 -8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.587 4.942 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.698 6.089 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.898 6.481 -10.904 1.00 0.00 H new ATOM 292 N TYR A 22 -7.213 6.779 -3.191 1.00 0.00 N ATOM 293 CA TYR A 22 -7.332 6.045 -1.961 1.00 0.00 C ATOM 294 C TYR A 22 -8.401 6.729 -1.133 1.00 0.00 C ATOM 295 O TYR A 22 -8.114 7.632 -0.339 1.00 0.00 O ATOM 296 CB TYR A 22 -5.981 5.971 -1.206 1.00 0.00 C ATOM 297 CG TYR A 22 -4.815 5.550 -2.085 1.00 0.00 C ATOM 298 CD1 TYR A 22 -4.957 4.535 -3.008 1.00 0.00 C ATOM 299 CD2 TYR A 22 -3.605 6.217 -2.042 1.00 0.00 C ATOM 300 CE1 TYR A 22 -3.944 4.182 -3.849 1.00 0.00 C ATOM 301 CE2 TYR A 22 -2.575 5.873 -2.892 1.00 0.00 C ATOM 302 CZ TYR A 22 -2.751 4.851 -3.792 1.00 0.00 C ATOM 303 OH TYR A 22 -1.732 4.504 -4.651 1.00 0.00 O ATOM 0 H TYR A 22 -6.982 7.765 -3.072 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.614 5.011 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.764 6.947 -0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.075 5.267 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.896 4.005 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.464 7.019 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.082 3.378 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.636 6.404 -2.850 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.954 5.075 -4.483 1.00 0.00 H new ATOM 313 N PRO A 23 -9.664 6.328 -1.337 1.00 0.00 N ATOM 314 CA PRO A 23 -10.833 7.015 -0.765 1.00 0.00 C ATOM 315 C PRO A 23 -10.911 6.949 0.762 1.00 0.00 C ATOM 316 O PRO A 23 -11.541 7.785 1.408 1.00 0.00 O ATOM 317 CB PRO A 23 -12.019 6.292 -1.416 1.00 0.00 C ATOM 318 CG PRO A 23 -11.499 4.957 -1.800 1.00 0.00 C ATOM 319 CD PRO A 23 -10.064 5.154 -2.151 1.00 0.00 C ATOM 0 HA PRO A 23 -10.801 8.086 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.855 6.204 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.383 6.838 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.605 4.247 -0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.054 4.552 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.467 4.275 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.934 5.342 -3.217 1.00 0.00 H new ATOM 327 N PHE A 24 -10.252 5.986 1.318 1.00 0.00 N ATOM 328 CA PHE A 24 -10.241 5.768 2.744 1.00 0.00 C ATOM 329 C PHE A 24 -8.938 6.230 3.370 1.00 0.00 C ATOM 330 O PHE A 24 -8.670 5.947 4.532 1.00 0.00 O ATOM 331 CB PHE A 24 -10.516 4.286 3.046 1.00 0.00 C ATOM 332 CG PHE A 24 -9.856 3.351 2.073 1.00 0.00 C ATOM 333 CD1 PHE A 24 -8.538 2.967 2.220 1.00 0.00 C ATOM 334 CD2 PHE A 24 -10.570 2.875 0.993 1.00 0.00 C ATOM 335 CE1 PHE A 24 -7.949 2.126 1.301 1.00 0.00 C ATOM 336 CE2 PHE A 24 -9.995 2.041 0.079 1.00 0.00 C ATOM 337 CZ PHE A 24 -8.681 1.664 0.227 1.00 0.00 C ATOM 0 H PHE A 24 -9.694 5.312 0.793 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.034 6.368 3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.168 4.057 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.592 4.113 3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.965 3.328 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.602 3.168 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.917 1.830 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.571 1.678 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.222 1.007 -0.497 1.00 0.00 H new ATOM 347 N CYS A 25 -8.146 6.962 2.620 1.00 0.00 N ATOM 348 CA CYS A 25 -6.884 7.433 3.141 1.00 0.00 C ATOM 349 C CYS A 25 -6.843 8.949 3.180 1.00 0.00 C ATOM 350 O CYS A 25 -6.271 9.596 2.284 1.00 0.00 O ATOM 351 CB CYS A 25 -5.705 6.901 2.324 1.00 0.00 C ATOM 352 SG CYS A 25 -5.690 5.094 2.097 1.00 0.00 S ATOM 0 H CYS A 25 -8.349 7.241 1.660 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.795 7.052 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.716 7.377 1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.778 7.200 2.813 1.00 0.00 H new