USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 246 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00679 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -33:sc= 0.954 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0.0158 USER MOD Single : A 24 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.69) USER MOD Single : A 25 SER OG : rot -174:sc= 0.922 USER MOD Single : A 29 ASN : amide:sc= -0.0853 K(o=-0.085,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 43:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.17) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N ILE A 4 5.759 2.116 7.623 1.00 1.00 N ATOM 41 CA ILE A 4 5.017 1.996 6.374 1.00 1.00 C ATOM 42 C ILE A 4 5.945 2.517 5.277 1.00 1.00 C ATOM 43 O ILE A 4 5.999 3.725 5.031 1.00 1.00 O ATOM 44 CB ILE A 4 3.674 2.767 6.461 1.00 1.00 C ATOM 45 CG1 ILE A 4 2.797 2.439 7.694 1.00 1.00 C ATOM 46 CG2 ILE A 4 2.867 2.552 5.171 1.00 1.00 C ATOM 47 CD1 ILE A 4 2.235 1.013 7.748 1.00 1.00 C ATOM 0 HA ILE A 4 4.737 0.966 6.155 1.00 1.00 H new ATOM 0 HB ILE A 4 3.952 3.814 6.583 1.00 1.00 H new ATOM 0 HG12 ILE A 4 3.388 2.612 8.594 1.00 1.00 H new ATOM 0 HG13 ILE A 4 1.963 3.140 7.721 1.00 1.00 H new ATOM 0 HG21 ILE A 4 1.924 3.095 5.237 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.439 2.919 4.319 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.665 1.489 5.041 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.637 0.892 8.651 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.611 0.835 6.872 1.00 1.00 H new ATOM 0 HD13 ILE A 4 3.058 0.298 7.759 1.00 1.00 H new ATOM 59 N ARG A 5 6.703 1.620 4.643 1.00 1.00 N ATOM 60 CA ARG A 5 7.740 1.952 3.676 1.00 1.00 C ATOM 61 C ARG A 5 7.748 0.897 2.576 1.00 1.00 C ATOM 62 O ARG A 5 8.312 -0.183 2.757 1.00 1.00 O ATOM 63 CB ARG A 5 9.075 2.078 4.420 1.00 1.00 C ATOM 64 CG ARG A 5 10.201 2.744 3.609 1.00 1.00 C ATOM 65 CD ARG A 5 10.979 1.797 2.688 1.00 1.00 C ATOM 66 NE ARG A 5 11.616 0.702 3.439 1.00 1.00 N ATOM 67 CZ ARG A 5 12.259 -0.341 2.907 1.00 1.00 C ATOM 68 NH1 ARG A 5 12.498 -0.399 1.600 1.00 1.00 N ATOM 69 NH2 ARG A 5 12.665 -1.331 3.688 1.00 1.00 N ATOM 0 H ARG A 5 6.606 0.616 4.795 1.00 1.00 H new ATOM 0 HA ARG A 5 7.553 2.909 3.188 1.00 1.00 H new ATOM 0 HB2 ARG A 5 8.914 2.652 5.333 1.00 1.00 H new ATOM 0 HB3 ARG A 5 9.403 1.083 4.722 1.00 1.00 H new ATOM 0 HG2 ARG A 5 9.771 3.543 3.005 1.00 1.00 H new ATOM 0 HG3 ARG A 5 10.901 3.210 4.302 1.00 1.00 H new ATOM 0 HD2 ARG A 5 10.303 1.380 1.941 1.00 1.00 H new ATOM 0 HD3 ARG A 5 11.742 2.359 2.149 1.00 1.00 H new ATOM 0 HE ARG A 5 11.561 0.744 4.457 1.00 1.00 H new ATOM 0 HH11 ARG A 5 12.189 0.359 0.991 1.00 1.00 H new ATOM 0 HH12 ARG A 5 12.990 -1.201 1.207 1.00 1.00 H new ATOM 0 HH21 ARG A 5 12.486 -1.295 4.692 1.00 1.00 H new ATOM 0 HH22 ARG A 5 13.156 -2.129 3.286 1.00 1.00 H new ATOM 83 N CYS A 6 7.106 1.189 1.449 1.00 1.00 N ATOM 84 CA CYS A 6 7.007 0.305 0.298 1.00 1.00 C ATOM 85 C CYS A 6 8.139 0.612 -0.674 1.00 1.00 C ATOM 86 O CYS A 6 8.242 1.739 -1.160 1.00 1.00 O ATOM 87 CB CYS A 6 5.654 0.490 -0.393 1.00 1.00 C ATOM 88 SG CYS A 6 5.046 2.192 -0.551 1.00 1.00 S ATOM 0 H CYS A 6 6.625 2.078 1.310 1.00 1.00 H new ATOM 0 HA CYS A 6 7.088 -0.730 0.630 1.00 1.00 H new ATOM 0 HB2 CYS A 6 5.720 0.058 -1.392 1.00 1.00 H new ATOM 0 HB3 CYS A 6 4.910 -0.088 0.155 1.00 1.00 H new ATOM 93 N THR A 7 8.977 -0.378 -0.989 1.00 1.00 N ATOM 94 CA THR A 7 10.054 -0.186 -1.958 1.00 1.00 C ATOM 95 C THR A 7 9.495 0.108 -3.361 1.00 1.00 C ATOM 96 O THR A 7 10.001 1.001 -4.041 1.00 1.00 O ATOM 97 CB THR A 7 11.036 -1.369 -1.901 1.00 1.00 C ATOM 98 OG1 THR A 7 12.171 -1.119 -2.702 1.00 1.00 O ATOM 99 CG2 THR A 7 10.447 -2.730 -2.288 1.00 1.00 C ATOM 0 H THR A 7 8.930 -1.315 -0.589 1.00 1.00 H new ATOM 0 HA THR A 7 10.631 0.700 -1.693 1.00 1.00 H new ATOM 0 HB THR A 7 11.305 -1.440 -0.847 1.00 1.00 H new ATOM 0 HG1 THR A 7 12.783 -1.883 -2.650 1.00 1.00 H new ATOM 0 HG21 THR A 7 11.220 -3.495 -2.215 1.00 1.00 H new ATOM 0 HG22 THR A 7 9.627 -2.977 -1.613 1.00 1.00 H new ATOM 0 HG23 THR A 7 10.074 -2.687 -3.311 1.00 1.00 H new ATOM 107 N GLY A 8 8.438 -0.587 -3.788 1.00 1.00 N ATOM 108 CA GLY A 8 7.758 -0.347 -5.051 1.00 1.00 C ATOM 109 C GLY A 8 6.265 -0.233 -4.786 1.00 1.00 C ATOM 110 O GLY A 8 5.767 -0.751 -3.784 1.00 1.00 O ATOM 0 H GLY A 8 8.026 -1.348 -3.249 1.00 1.00 H new ATOM 0 HA2 GLY A 8 8.131 0.567 -5.513 1.00 1.00 H new ATOM 0 HA3 GLY A 8 7.957 -1.161 -5.748 1.00 1.00 H new ATOM 114 N THR A 9 5.530 0.415 -5.687 1.00 1.00 N ATOM 115 CA THR A 9 4.099 0.641 -5.530 1.00 1.00 C ATOM 116 C THR A 9 3.374 -0.692 -5.323 1.00 1.00 C ATOM 117 O THR A 9 2.601 -0.832 -4.374 1.00 1.00 O ATOM 118 CB THR A 9 3.543 1.435 -6.728 1.00 1.00 C ATOM 119 OG1 THR A 9 4.431 2.485 -7.081 1.00 1.00 O ATOM 120 CG2 THR A 9 2.176 2.036 -6.401 1.00 1.00 C ATOM 0 H THR A 9 5.914 0.799 -6.550 1.00 1.00 H new ATOM 0 HA THR A 9 3.924 1.246 -4.641 1.00 1.00 H new ATOM 0 HB THR A 9 3.440 0.741 -7.562 1.00 1.00 H new ATOM 0 HG1 THR A 9 4.066 2.980 -7.844 1.00 1.00 H new ATOM 0 HG21 THR A 9 1.807 2.591 -7.263 1.00 1.00 H new ATOM 0 HG22 THR A 9 1.476 1.237 -6.157 1.00 1.00 H new ATOM 0 HG23 THR A 9 2.269 2.709 -5.549 1.00 1.00 H new ATOM 128 N LYS A 10 3.653 -1.685 -6.169 1.00 1.00 N ATOM 129 CA LYS A 10 3.000 -2.991 -6.122 1.00 1.00 C ATOM 130 C LYS A 10 3.413 -3.867 -4.936 1.00 1.00 C ATOM 131 O LYS A 10 2.904 -4.979 -4.825 1.00 1.00 O ATOM 132 CB LYS A 10 3.184 -3.697 -7.469 1.00 1.00 C ATOM 133 CG LYS A 10 4.645 -4.050 -7.795 1.00 1.00 C ATOM 134 CD LYS A 10 4.832 -4.203 -9.305 1.00 1.00 C ATOM 135 CE LYS A 10 4.046 -5.399 -9.843 1.00 1.00 C ATOM 136 NZ LYS A 10 3.999 -5.398 -11.313 1.00 1.00 N ATOM 0 H LYS A 10 4.346 -1.603 -6.913 1.00 1.00 H new ATOM 0 HA LYS A 10 1.938 -2.815 -5.948 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.590 -4.611 -7.473 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.790 -3.058 -8.259 1.00 1.00 H new ATOM 0 HG2 LYS A 10 5.307 -3.271 -7.417 1.00 1.00 H new ATOM 0 HG3 LYS A 10 4.923 -4.976 -7.292 1.00 1.00 H new ATOM 0 HD2 LYS A 10 4.504 -3.293 -9.808 1.00 1.00 H new ATOM 0 HD3 LYS A 10 5.891 -4.329 -9.532 1.00 1.00 H new ATOM 0 HE2 LYS A 10 4.505 -6.324 -9.494 1.00 1.00 H new ATOM 0 HE3 LYS A 10 3.031 -5.377 -9.446 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.458 -6.223 -11.644 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.539 -4.526 -11.645 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.967 -5.444 -11.691 1.00 1.00 H new ATOM 150 N ASP A 11 4.321 -3.434 -4.057 1.00 1.00 N ATOM 151 CA ASP A 11 4.629 -4.183 -2.834 1.00 1.00 C ATOM 152 C ASP A 11 3.437 -4.044 -1.893 1.00 1.00 C ATOM 153 O ASP A 11 2.780 -5.032 -1.573 1.00 1.00 O ATOM 154 CB ASP A 11 5.941 -3.718 -2.177 1.00 1.00 C ATOM 155 CG ASP A 11 7.160 -4.352 -2.845 1.00 1.00 C ATOM 156 OD1 ASP A 11 7.281 -4.260 -4.086 1.00 1.00 O ATOM 157 OD2 ASP A 11 7.969 -4.997 -2.136 1.00 1.00 O ATOM 0 H ASP A 11 4.854 -2.572 -4.168 1.00 1.00 H new ATOM 0 HA ASP A 11 4.791 -5.233 -3.078 1.00 1.00 H new ATOM 0 HB2 ASP A 11 6.015 -2.632 -2.239 1.00 1.00 H new ATOM 0 HB3 ASP A 11 5.930 -3.977 -1.118 1.00 1.00 H new ATOM 162 N CYS A 12 3.076 -2.805 -1.541 1.00 1.00 N ATOM 163 CA CYS A 12 2.000 -2.493 -0.596 1.00 1.00 C ATOM 164 C CYS A 12 0.593 -2.854 -1.103 1.00 1.00 C ATOM 165 O CYS A 12 -0.407 -2.476 -0.488 1.00 1.00 O ATOM 166 CB CYS A 12 2.076 -1.017 -0.180 1.00 1.00 C ATOM 167 SG CYS A 12 1.994 -0.786 1.614 1.00 1.00 S ATOM 0 H CYS A 12 3.534 -1.974 -1.914 1.00 1.00 H new ATOM 0 HA CYS A 12 2.162 -3.129 0.274 1.00 1.00 H new ATOM 0 HB2 CYS A 12 3.005 -0.586 -0.555 1.00 1.00 H new ATOM 0 HB3 CYS A 12 1.259 -0.470 -0.650 1.00 1.00 H new ATOM 172 N TYR A 13 0.488 -3.531 -2.246 1.00 1.00 N ATOM 173 CA TYR A 13 -0.762 -4.060 -2.755 1.00 1.00 C ATOM 174 C TYR A 13 -1.234 -5.167 -1.823 1.00 1.00 C ATOM 175 O TYR A 13 -2.313 -5.046 -1.257 1.00 1.00 O ATOM 176 CB TYR A 13 -0.604 -4.514 -4.215 1.00 1.00 C ATOM 177 CG TYR A 13 -1.017 -3.413 -5.174 1.00 1.00 C ATOM 178 CD1 TYR A 13 -0.410 -2.148 -5.080 1.00 1.00 C ATOM 179 CD2 TYR A 13 -2.103 -3.598 -6.051 1.00 1.00 C ATOM 180 CE1 TYR A 13 -0.930 -1.055 -5.786 1.00 1.00 C ATOM 181 CE2 TYR A 13 -2.640 -2.508 -6.751 1.00 1.00 C ATOM 182 CZ TYR A 13 -2.081 -1.226 -6.582 1.00 1.00 C ATOM 183 OH TYR A 13 -2.703 -0.153 -7.129 1.00 1.00 O ATOM 0 H TYR A 13 1.287 -3.727 -2.849 1.00 1.00 H new ATOM 0 HA TYR A 13 -1.531 -3.288 -2.771 1.00 1.00 H new ATOM 0 HB2 TYR A 13 0.432 -4.795 -4.402 1.00 1.00 H new ATOM 0 HB3 TYR A 13 -1.211 -5.402 -4.391 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.464 -2.018 -4.459 1.00 1.00 H new ATOM 0 HD2 TYR A 13 -2.524 -4.583 -6.185 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.452 -0.088 -5.721 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -3.478 -2.651 -7.417 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.618 0.616 -6.527 1.00 1.00 H new ATOM 193 N ILE A 14 -0.423 -6.208 -1.625 1.00 1.00 N ATOM 194 CA ILE A 14 -0.821 -7.397 -0.873 1.00 1.00 C ATOM 195 C ILE A 14 -1.288 -7.048 0.552 1.00 1.00 C ATOM 196 O ILE A 14 -2.434 -7.377 0.876 1.00 1.00 O ATOM 197 CB ILE A 14 0.271 -8.496 -0.905 1.00 1.00 C ATOM 198 CG1 ILE A 14 0.962 -8.657 -2.277 1.00 1.00 C ATOM 199 CG2 ILE A 14 -0.328 -9.837 -0.440 1.00 1.00 C ATOM 200 CD1 ILE A 14 0.036 -8.910 -3.470 1.00 1.00 C ATOM 0 H ILE A 14 0.531 -6.249 -1.983 1.00 1.00 H new ATOM 0 HA ILE A 14 -1.689 -7.823 -1.376 1.00 1.00 H new ATOM 0 HB ILE A 14 1.054 -8.174 -0.219 1.00 1.00 H new ATOM 0 HG12 ILE A 14 1.542 -7.756 -2.477 1.00 1.00 H new ATOM 0 HG13 ILE A 14 1.670 -9.483 -2.210 1.00 1.00 H new ATOM 0 HG21 ILE A 14 0.443 -10.607 -0.464 1.00 1.00 H new ATOM 0 HG22 ILE A 14 -0.706 -9.733 0.577 1.00 1.00 H new ATOM 0 HG23 ILE A 14 -1.145 -10.120 -1.104 1.00 1.00 H new ATOM 0 HD11 ILE A 14 0.631 -9.006 -4.378 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -0.527 -9.829 -3.305 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.656 -8.075 -3.577 1.00 1.00 H new ATOM 212 N PRO A 15 -0.480 -6.390 1.415 1.00 1.00 N ATOM 213 CA PRO A 15 -0.869 -6.190 2.803 1.00 1.00 C ATOM 214 C PRO A 15 -2.134 -5.342 2.910 1.00 1.00 C ATOM 215 O PRO A 15 -3.042 -5.727 3.644 1.00 1.00 O ATOM 216 CB PRO A 15 0.333 -5.558 3.509 1.00 1.00 C ATOM 217 CG PRO A 15 1.133 -4.925 2.375 1.00 1.00 C ATOM 218 CD PRO A 15 0.865 -5.868 1.204 1.00 1.00 C ATOM 0 HA PRO A 15 -1.124 -7.135 3.283 1.00 1.00 H new ATOM 0 HB2 PRO A 15 0.020 -4.814 4.241 1.00 1.00 H new ATOM 0 HB3 PRO A 15 0.920 -6.304 4.044 1.00 1.00 H new ATOM 0 HG2 PRO A 15 0.798 -3.910 2.162 1.00 1.00 H new ATOM 0 HG3 PRO A 15 2.195 -4.867 2.613 1.00 1.00 H new ATOM 0 HD2 PRO A 15 0.935 -5.340 0.253 1.00 1.00 H new ATOM 0 HD3 PRO A 15 1.598 -6.675 1.176 1.00 1.00 H new ATOM 226 N CYS A 16 -2.232 -4.230 2.171 1.00 1.00 N ATOM 227 CA CYS A 16 -3.430 -3.401 2.197 1.00 1.00 C ATOM 228 C CYS A 16 -4.637 -4.149 1.641 1.00 1.00 C ATOM 229 O CYS A 16 -5.707 -4.053 2.229 1.00 1.00 O ATOM 230 CB CYS A 16 -3.216 -2.109 1.425 1.00 1.00 C ATOM 231 SG CYS A 16 -2.154 -0.915 2.271 1.00 1.00 S ATOM 0 H CYS A 16 -1.496 -3.890 1.552 1.00 1.00 H new ATOM 0 HA CYS A 16 -3.631 -3.156 3.240 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -2.779 -2.345 0.455 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -4.185 -1.647 1.234 1.00 1.00 H new ATOM 236 N ARG A 17 -4.496 -4.919 0.557 1.00 1.00 N ATOM 237 CA ARG A 17 -5.582 -5.771 0.075 1.00 1.00 C ATOM 238 C ARG A 17 -5.982 -6.723 1.193 1.00 1.00 C ATOM 239 O ARG A 17 -7.173 -6.894 1.430 1.00 1.00 O ATOM 240 CB ARG A 17 -5.154 -6.494 -1.213 1.00 1.00 C ATOM 241 CG ARG A 17 -6.276 -7.210 -1.983 1.00 1.00 C ATOM 242 CD ARG A 17 -6.574 -8.657 -1.568 1.00 1.00 C ATOM 243 NE ARG A 17 -7.628 -8.765 -0.548 1.00 1.00 N ATOM 244 CZ ARG A 17 -8.343 -9.861 -0.280 1.00 1.00 C ATOM 245 NH1 ARG A 17 -8.087 -10.998 -0.919 1.00 1.00 N ATOM 246 NH2 ARG A 17 -9.312 -9.834 0.629 1.00 1.00 N ATOM 0 H ARG A 17 -3.643 -4.968 0.000 1.00 1.00 H new ATOM 0 HA ARG A 17 -6.458 -5.178 -0.187 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -4.690 -5.766 -1.878 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -4.389 -7.227 -0.958 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -7.191 -6.628 -1.873 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -6.020 -7.204 -3.043 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -6.871 -9.226 -2.449 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -5.661 -9.113 -1.186 1.00 1.00 H new ATOM 0 HE ARG A 17 -7.831 -7.931 0.003 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -7.343 -11.035 -1.616 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -8.634 -11.834 -0.712 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -9.517 -8.970 1.131 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -9.851 -10.677 0.825 1.00 1.00 H new ATOM 260 N TYR A 18 -5.025 -7.314 1.906 1.00 1.00 N ATOM 261 CA TYR A 18 -5.341 -8.168 3.043 1.00 1.00 C ATOM 262 C TYR A 18 -6.106 -7.415 4.144 1.00 1.00 C ATOM 263 O TYR A 18 -7.128 -7.910 4.621 1.00 1.00 O ATOM 264 CB TYR A 18 -4.058 -8.811 3.596 1.00 1.00 C ATOM 265 CG TYR A 18 -4.149 -10.316 3.697 1.00 1.00 C ATOM 266 CD1 TYR A 18 -5.099 -10.910 4.548 1.00 1.00 C ATOM 267 CD2 TYR A 18 -3.291 -11.127 2.932 1.00 1.00 C ATOM 268 CE1 TYR A 18 -5.191 -12.308 4.638 1.00 1.00 C ATOM 269 CE2 TYR A 18 -3.384 -12.525 3.011 1.00 1.00 C ATOM 270 CZ TYR A 18 -4.340 -13.122 3.861 1.00 1.00 C ATOM 271 OH TYR A 18 -4.454 -14.473 3.894 1.00 1.00 O ATOM 0 H TYR A 18 -4.028 -7.216 1.715 1.00 1.00 H new ATOM 0 HA TYR A 18 -6.005 -8.957 2.689 1.00 1.00 H new ATOM 0 HB2 TYR A 18 -3.219 -8.545 2.953 1.00 1.00 H new ATOM 0 HB3 TYR A 18 -3.847 -8.398 4.582 1.00 1.00 H new ATOM 0 HD1 TYR A 18 -5.760 -10.288 5.134 1.00 1.00 H new ATOM 0 HD2 TYR A 18 -2.558 -10.672 2.282 1.00 1.00 H new ATOM 0 HE1 TYR A 18 -5.913 -12.760 5.302 1.00 1.00 H new ATOM 0 HE2 TYR A 18 -2.724 -13.144 2.421 1.00 1.00 H new ATOM 0 HH TYR A 18 -3.788 -14.872 3.296 1.00 1.00 H new ATOM 281 N ILE A 19 -5.617 -6.244 4.558 1.00 1.00 N ATOM 282 CA ILE A 19 -6.132 -5.473 5.693 1.00 1.00 C ATOM 283 C ILE A 19 -7.486 -4.837 5.370 1.00 1.00 C ATOM 284 O ILE A 19 -8.428 -4.949 6.152 1.00 1.00 O ATOM 285 CB ILE A 19 -5.079 -4.411 6.100 1.00 1.00 C ATOM 286 CG1 ILE A 19 -3.803 -5.091 6.647 1.00 1.00 C ATOM 287 CG2 ILE A 19 -5.612 -3.433 7.163 1.00 1.00 C ATOM 288 CD1 ILE A 19 -2.566 -4.202 6.516 1.00 1.00 C ATOM 0 H ILE A 19 -4.827 -5.792 4.098 1.00 1.00 H new ATOM 0 HA ILE A 19 -6.302 -6.143 6.536 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.848 -3.845 5.197 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.953 -5.348 7.696 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -3.634 -6.025 6.111 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.836 -2.710 7.413 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -6.484 -2.909 6.771 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.894 -3.987 8.058 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -1.697 -4.726 6.915 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -2.397 -3.966 5.465 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -2.721 -3.279 7.075 1.00 1.00 H new ATOM 300 N THR A 20 -7.587 -4.115 4.261 1.00 1.00 N ATOM 301 CA THR A 20 -8.742 -3.320 3.861 1.00 1.00 C ATOM 302 C THR A 20 -9.710 -4.130 2.988 1.00 1.00 C ATOM 303 O THR A 20 -10.851 -3.712 2.785 1.00 1.00 O ATOM 304 CB THR A 20 -8.187 -2.070 3.153 1.00 1.00 C ATOM 305 OG1 THR A 20 -7.347 -1.375 4.062 1.00 1.00 O ATOM 306 CG2 THR A 20 -9.229 -1.077 2.645 1.00 1.00 C ATOM 0 H THR A 20 -6.828 -4.065 3.582 1.00 1.00 H new ATOM 0 HA THR A 20 -9.338 -3.021 4.723 1.00 1.00 H new ATOM 0 HB THR A 20 -7.669 -2.447 2.272 1.00 1.00 H new ATOM 0 HG1 THR A 20 -6.983 -0.576 3.626 1.00 1.00 H new ATOM 0 HG21 THR A 20 -8.727 -0.237 2.165 1.00 1.00 H new ATOM 0 HG22 THR A 20 -9.881 -1.571 1.924 1.00 1.00 H new ATOM 0 HG23 THR A 20 -9.824 -0.713 3.483 1.00 1.00 H new ATOM 314 N GLY A 21 -9.300 -5.298 2.490 1.00 1.00 N ATOM 315 CA GLY A 21 -10.081 -6.125 1.589 1.00 1.00 C ATOM 316 C GLY A 21 -10.042 -5.544 0.184 1.00 1.00 C ATOM 317 O GLY A 21 -9.426 -6.124 -0.713 1.00 1.00 O ATOM 0 H GLY A 21 -8.389 -5.699 2.713 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -9.688 -7.141 1.582 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -11.112 -6.185 1.938 1.00 1.00 H new ATOM 321 N CYS A 22 -10.689 -4.396 0.002 1.00 1.00 N ATOM 322 CA CYS A 22 -10.781 -3.662 -1.247 1.00 1.00 C ATOM 323 C CYS A 22 -9.399 -3.233 -1.725 1.00 1.00 C ATOM 324 O CYS A 22 -8.662 -2.566 -0.995 1.00 1.00 O ATOM 325 CB CYS A 22 -11.665 -2.439 -1.022 1.00 1.00 C ATOM 326 SG CYS A 22 -13.339 -2.864 -0.486 1.00 1.00 S ATOM 0 H CYS A 22 -11.187 -3.933 0.763 1.00 1.00 H new ATOM 0 HA CYS A 22 -11.214 -4.302 -2.016 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -11.202 -1.796 -0.273 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -11.721 -1.863 -1.946 1.00 1.00 H new ATOM 0 HG CYS A 22 -14.029 -1.776 -0.313 1.00 1.00 H new ATOM 331 N PHE A 23 -9.066 -3.605 -2.960 1.00 1.00 N ATOM 332 CA PHE A 23 -7.853 -3.179 -3.641 1.00 1.00 C ATOM 333 C PHE A 23 -7.865 -1.672 -3.944 1.00 1.00 C ATOM 334 O PHE A 23 -8.937 -1.069 -4.030 1.00 1.00 O ATOM 335 CB PHE A 23 -7.746 -3.935 -4.987 1.00 1.00 C ATOM 336 CG PHE A 23 -6.697 -5.025 -5.075 1.00 1.00 C ATOM 337 CD1 PHE A 23 -5.386 -4.801 -4.612 1.00 1.00 C ATOM 338 CD2 PHE A 23 -7.011 -6.247 -5.701 1.00 1.00 C ATOM 339 CE1 PHE A 23 -4.412 -5.801 -4.744 1.00 1.00 C ATOM 340 CE2 PHE A 23 -6.022 -7.229 -5.872 1.00 1.00 C ATOM 341 CZ PHE A 23 -4.719 -7.006 -5.390 1.00 1.00 C ATOM 0 H PHE A 23 -9.648 -4.225 -3.524 1.00 1.00 H new ATOM 0 HA PHE A 23 -7.009 -3.396 -2.987 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -8.717 -4.379 -5.206 1.00 1.00 H new ATOM 0 HB3 PHE A 23 -7.545 -3.206 -5.772 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -5.130 -3.857 -4.154 1.00 1.00 H new ATOM 0 HD2 PHE A 23 -8.016 -6.429 -6.051 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -3.421 -5.642 -4.346 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -6.261 -8.155 -6.373 1.00 1.00 H new ATOM 0 HZ PHE A 23 -3.958 -7.761 -5.518 1.00 1.00 H new ATOM 351 N ASN A 24 -6.663 -1.134 -4.205 1.00 1.00 N ATOM 352 CA ASN A 24 -6.252 0.198 -4.671 1.00 1.00 C ATOM 353 C ASN A 24 -5.230 0.861 -3.734 1.00 1.00 C ATOM 354 O ASN A 24 -5.505 1.868 -3.071 1.00 1.00 O ATOM 355 CB ASN A 24 -7.406 1.139 -5.070 1.00 1.00 C ATOM 356 CG ASN A 24 -6.903 2.372 -5.812 1.00 1.00 C ATOM 357 OD1 ASN A 24 -5.988 2.301 -6.639 1.00 1.00 O ATOM 358 ND2 ASN A 24 -7.524 3.518 -5.619 1.00 1.00 N ATOM 0 H ASN A 24 -5.834 -1.714 -4.073 1.00 1.00 H new ATOM 0 HA ASN A 24 -5.739 0.007 -5.614 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.113 0.599 -5.700 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.947 1.449 -4.176 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -7.249 4.343 -6.152 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.280 3.580 -4.937 1.00 1.00 H new ATOM 365 N SER A 25 -4.019 0.296 -3.682 1.00 1.00 N ATOM 366 CA SER A 25 -2.911 0.910 -2.958 1.00 1.00 C ATOM 367 C SER A 25 -2.165 1.877 -3.877 1.00 1.00 C ATOM 368 O SER A 25 -2.179 1.722 -5.102 1.00 1.00 O ATOM 369 CB SER A 25 -1.921 -0.135 -2.429 1.00 1.00 C ATOM 370 OG SER A 25 -2.546 -1.162 -1.691 1.00 1.00 O ATOM 0 H SER A 25 -3.785 -0.587 -4.135 1.00 1.00 H new ATOM 0 HA SER A 25 -3.335 1.442 -2.106 1.00 1.00 H new ATOM 0 HB2 SER A 25 -1.382 -0.575 -3.268 1.00 1.00 H new ATOM 0 HB3 SER A 25 -1.181 0.359 -1.799 1.00 1.00 H new ATOM 0 HG SER A 25 -1.863 -1.748 -1.302 1.00 1.00 H new ATOM 376 N ARG A 26 -1.485 2.863 -3.300 1.00 1.00 N ATOM 377 CA ARG A 26 -0.584 3.795 -3.967 1.00 1.00 C ATOM 378 C ARG A 26 0.594 3.974 -3.007 1.00 1.00 C ATOM 379 O ARG A 26 0.459 3.762 -1.799 1.00 1.00 O ATOM 380 CB ARG A 26 -1.339 5.102 -4.288 1.00 1.00 C ATOM 381 CG ARG A 26 -0.557 6.106 -5.162 1.00 1.00 C ATOM 382 CD ARG A 26 -0.292 7.463 -4.483 1.00 1.00 C ATOM 383 NE ARG A 26 1.055 7.956 -4.809 1.00 1.00 N ATOM 384 CZ ARG A 26 1.469 8.668 -5.860 1.00 1.00 C ATOM 385 NH1 ARG A 26 0.625 9.219 -6.723 1.00 1.00 N ATOM 386 NH2 ARG A 26 2.776 8.809 -6.034 1.00 1.00 N ATOM 0 H ARG A 26 -1.552 3.042 -2.298 1.00 1.00 H new ATOM 0 HA ARG A 26 -0.214 3.439 -4.929 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -2.271 4.851 -4.794 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -1.606 5.590 -3.351 1.00 1.00 H new ATOM 0 HG2 ARG A 26 0.397 5.660 -5.442 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -1.112 6.276 -6.085 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -1.038 8.189 -4.807 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -0.395 7.361 -3.403 1.00 1.00 H new ATOM 0 HE ARG A 26 1.780 7.719 -4.132 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -0.381 9.106 -6.596 1.00 1.00 H new ATOM 0 HH12 ARG A 26 0.982 9.756 -7.513 1.00 1.00 H new ATOM 0 HH21 ARG A 26 3.427 8.380 -5.376 1.00 1.00 H new ATOM 0 HH22 ARG A 26 3.130 9.346 -6.826 1.00 1.00 H new ATOM 400 N CYS A 27 1.755 4.368 -3.522 1.00 1.00 N ATOM 401 CA CYS A 27 2.930 4.674 -2.720 1.00 1.00 C ATOM 402 C CYS A 27 3.338 6.097 -3.040 1.00 1.00 C ATOM 403 O CYS A 27 3.330 6.481 -4.212 1.00 1.00 O ATOM 404 CB CYS A 27 4.046 3.657 -2.961 1.00 1.00 C ATOM 405 SG CYS A 27 3.729 2.105 -2.086 1.00 1.00 S ATOM 0 H CYS A 27 1.906 4.485 -4.524 1.00 1.00 H new ATOM 0 HA CYS A 27 2.708 4.600 -1.655 1.00 1.00 H new ATOM 0 HB2 CYS A 27 4.137 3.462 -4.029 1.00 1.00 H new ATOM 0 HB3 CYS A 27 4.997 4.074 -2.631 1.00 1.00 H new ATOM 410 N ILE A 28 3.613 6.887 -2.012 1.00 1.00 N ATOM 411 CA ILE A 28 3.882 8.311 -2.051 1.00 1.00 C ATOM 412 C ILE A 28 5.102 8.524 -1.147 1.00 1.00 C ATOM 413 O ILE A 28 5.106 8.057 -0.010 1.00 1.00 O ATOM 414 CB ILE A 28 2.574 9.048 -1.675 1.00 1.00 C ATOM 415 CG1 ILE A 28 2.533 10.503 -2.178 1.00 1.00 C ATOM 416 CG2 ILE A 28 2.166 8.906 -0.200 1.00 1.00 C ATOM 417 CD1 ILE A 28 3.457 11.473 -1.447 1.00 1.00 C ATOM 0 H ILE A 28 3.656 6.519 -1.062 1.00 1.00 H new ATOM 0 HA ILE A 28 4.148 8.726 -3.023 1.00 1.00 H new ATOM 0 HB ILE A 28 1.796 8.518 -2.224 1.00 1.00 H new ATOM 0 HG12 ILE A 28 2.790 10.511 -3.237 1.00 1.00 H new ATOM 0 HG13 ILE A 28 1.510 10.870 -2.095 1.00 1.00 H new ATOM 0 HG21 ILE A 28 1.240 9.453 -0.024 1.00 1.00 H new ATOM 0 HG22 ILE A 28 2.016 7.853 0.036 1.00 1.00 H new ATOM 0 HG23 ILE A 28 2.953 9.312 0.436 1.00 1.00 H new ATOM 0 HD11 ILE A 28 3.352 12.469 -1.877 1.00 1.00 H new ATOM 0 HD12 ILE A 28 3.190 11.504 -0.391 1.00 1.00 H new ATOM 0 HD13 ILE A 28 4.490 11.140 -1.550 1.00 1.00 H new ATOM 429 N ASN A 29 6.166 9.136 -1.682 1.00 1.00 N ATOM 430 CA ASN A 29 7.485 9.307 -1.055 1.00 1.00 C ATOM 431 C ASN A 29 7.869 8.108 -0.172 1.00 1.00 C ATOM 432 O ASN A 29 8.101 8.220 1.035 1.00 1.00 O ATOM 433 CB ASN A 29 7.632 10.656 -0.337 1.00 1.00 C ATOM 434 CG ASN A 29 9.082 10.852 0.105 1.00 1.00 C ATOM 435 OD1 ASN A 29 10.013 10.435 -0.578 1.00 1.00 O ATOM 436 ND2 ASN A 29 9.321 11.458 1.251 1.00 1.00 N ATOM 0 H ASN A 29 6.129 9.548 -2.614 1.00 1.00 H new ATOM 0 HA ASN A 29 8.212 9.330 -1.867 1.00 1.00 H new ATOM 0 HB2 ASN A 29 7.332 11.466 -1.001 1.00 1.00 H new ATOM 0 HB3 ASN A 29 6.970 10.692 0.528 1.00 1.00 H new ATOM 0 HD21 ASN A 29 10.281 11.581 1.572 1.00 1.00 H new ATOM 0 HD22 ASN A 29 8.546 11.804 1.817 1.00 1.00 H new ATOM 443 N LYS A 30 7.927 6.937 -0.809 1.00 1.00 N ATOM 444 CA LYS A 30 8.206 5.620 -0.238 1.00 1.00 C ATOM 445 C LYS A 30 7.218 5.095 0.803 1.00 1.00 C ATOM 446 O LYS A 30 7.365 3.932 1.170 1.00 1.00 O ATOM 447 CB LYS A 30 9.665 5.540 0.261 1.00 1.00 C ATOM 448 CG LYS A 30 10.472 4.362 -0.307 1.00 1.00 C ATOM 449 CD LYS A 30 10.752 4.516 -1.812 1.00 1.00 C ATOM 450 CE LYS A 30 9.757 3.758 -2.698 1.00 1.00 C ATOM 451 NZ LYS A 30 9.654 4.330 -4.055 1.00 1.00 N ATOM 0 H LYS A 30 7.768 6.882 -1.815 1.00 1.00 H new ATOM 0 HA LYS A 30 8.060 4.934 -1.072 1.00 1.00 H new ATOM 0 HB2 LYS A 30 10.174 6.469 0.005 1.00 1.00 H new ATOM 0 HB3 LYS A 30 9.660 5.469 1.349 1.00 1.00 H new ATOM 0 HG2 LYS A 30 11.417 4.280 0.229 1.00 1.00 H new ATOM 0 HG3 LYS A 30 9.926 3.434 -0.135 1.00 1.00 H new ATOM 0 HD2 LYS A 30 10.726 5.574 -2.072 1.00 1.00 H new ATOM 0 HD3 LYS A 30 11.760 4.160 -2.025 1.00 1.00 H new ATOM 0 HE2 LYS A 30 10.063 2.714 -2.770 1.00 1.00 H new ATOM 0 HE3 LYS A 30 8.774 3.771 -2.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 8.969 3.781 -4.612 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 9.336 5.318 -3.992 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 10.584 4.295 -4.518 1.00 1.00 H new ATOM 465 N SER A 31 6.209 5.841 1.247 1.00 1.00 N ATOM 466 CA SER A 31 5.210 5.329 2.176 1.00 1.00 C ATOM 467 C SER A 31 3.958 4.921 1.404 1.00 1.00 C ATOM 468 O SER A 31 3.774 5.319 0.256 1.00 1.00 O ATOM 469 CB SER A 31 4.919 6.395 3.227 1.00 1.00 C ATOM 470 OG SER A 31 4.367 5.796 4.384 1.00 1.00 O ATOM 0 H SER A 31 6.063 6.813 0.973 1.00 1.00 H new ATOM 0 HA SER A 31 5.579 4.442 2.691 1.00 1.00 H new ATOM 0 HB2 SER A 31 5.837 6.924 3.484 1.00 1.00 H new ATOM 0 HB3 SER A 31 4.227 7.135 2.825 1.00 1.00 H new ATOM 0 HG SER A 31 4.857 4.973 4.592 1.00 1.00 H new ATOM 476 N CYS A 32 3.102 4.100 2.007 1.00 1.00 N ATOM 477 CA CYS A 32 1.885 3.612 1.379 1.00 1.00 C ATOM 478 C CYS A 32 0.709 4.538 1.684 1.00 1.00 C ATOM 479 O CYS A 32 0.640 5.162 2.745 1.00 1.00 O ATOM 480 CB CYS A 32 1.537 2.203 1.877 1.00 1.00 C ATOM 481 SG CYS A 32 2.895 1.013 1.906 1.00 1.00 S ATOM 0 H CYS A 32 3.239 3.753 2.956 1.00 1.00 H new ATOM 0 HA CYS A 32 2.064 3.585 0.304 1.00 1.00 H new ATOM 0 HB2 CYS A 32 1.132 2.286 2.885 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.743 1.803 1.246 1.00 1.00 H new ATOM 486 N LYS A 33 -0.241 4.595 0.757 1.00 1.00 N ATOM 487 CA LYS A 33 -1.521 5.275 0.875 1.00 1.00 C ATOM 488 C LYS A 33 -2.481 4.329 0.184 1.00 1.00 C ATOM 489 O LYS A 33 -2.388 4.141 -1.030 1.00 1.00 O ATOM 490 CB LYS A 33 -1.500 6.681 0.264 1.00 1.00 C ATOM 491 CG LYS A 33 -1.033 7.718 1.297 1.00 1.00 C ATOM 492 CD LYS A 33 -2.087 7.997 2.388 1.00 1.00 C ATOM 493 CE LYS A 33 -1.528 7.969 3.819 1.00 1.00 C ATOM 494 NZ LYS A 33 -1.236 6.601 4.300 1.00 1.00 N ATOM 0 H LYS A 33 -0.129 4.140 -0.149 1.00 1.00 H new ATOM 0 HA LYS A 33 -1.808 5.468 1.909 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.836 6.697 -0.600 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.496 6.941 -0.095 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.115 7.366 1.768 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.792 8.650 0.785 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -2.536 8.973 2.204 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -2.884 7.258 2.306 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -0.616 8.564 3.858 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -2.245 8.439 4.492 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -0.831 6.648 5.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -2.115 6.046 4.324 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -0.556 6.145 3.658 1.00 1.00 H new ATOM 508 N CYS A 34 -3.315 3.656 0.962 1.00 1.00 N ATOM 509 CA CYS A 34 -4.180 2.608 0.465 1.00 1.00 C ATOM 510 C CYS A 34 -5.607 3.113 0.441 1.00 1.00 C ATOM 511 O CYS A 34 -6.191 3.385 1.493 1.00 1.00 O ATOM 512 CB CYS A 34 -3.939 1.342 1.283 1.00 1.00 C ATOM 513 SG CYS A 34 -2.249 0.707 1.057 1.00 1.00 S ATOM 0 H CYS A 34 -3.408 3.827 1.963 1.00 1.00 H new ATOM 0 HA CYS A 34 -3.957 2.335 -0.566 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -4.111 1.553 2.339 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -4.658 0.577 0.990 1.00 1.00 H new ATOM 518 N TYR A 35 -6.135 3.315 -0.766 1.00 1.00 N ATOM 519 CA TYR A 35 -7.497 3.780 -0.932 1.00 1.00 C ATOM 520 C TYR A 35 -8.380 2.588 -0.591 1.00 1.00 C ATOM 521 O TYR A 35 -8.317 1.553 -1.260 1.00 1.00 O ATOM 522 CB TYR A 35 -7.727 4.302 -2.353 1.00 1.00 C ATOM 523 CG TYR A 35 -6.854 5.489 -2.733 1.00 1.00 C ATOM 524 CD1 TYR A 35 -5.579 5.300 -3.299 1.00 1.00 C ATOM 525 CD2 TYR A 35 -7.312 6.796 -2.491 1.00 1.00 C ATOM 526 CE1 TYR A 35 -4.759 6.408 -3.579 1.00 1.00 C ATOM 527 CE2 TYR A 35 -6.493 7.906 -2.753 1.00 1.00 C ATOM 528 CZ TYR A 35 -5.198 7.715 -3.282 1.00 1.00 C ATOM 529 OH TYR A 35 -4.381 8.773 -3.539 1.00 1.00 O ATOM 0 H TYR A 35 -5.633 3.161 -1.640 1.00 1.00 H new ATOM 0 HA TYR A 35 -7.729 4.623 -0.281 1.00 1.00 H new ATOM 0 HB2 TYR A 35 -7.545 3.492 -3.059 1.00 1.00 H new ATOM 0 HB3 TYR A 35 -8.774 4.587 -2.458 1.00 1.00 H new ATOM 0 HD1 TYR A 35 -5.230 4.302 -3.519 1.00 1.00 H new ATOM 0 HD2 TYR A 35 -8.307 6.948 -2.099 1.00 1.00 H new ATOM 0 HE1 TYR A 35 -3.787 6.257 -4.024 1.00 1.00 H new ATOM 0 HE2 TYR A 35 -6.853 8.904 -2.550 1.00 1.00 H new ATOM 0 HH TYR A 35 -4.831 9.604 -3.279 1.00 1.00 H new