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 Set 1.1: A 9 THR OG1 : rot 180:sc= 0.68 USER MOD Set 1.2: A 13 TYR OH : rot 42:sc= 0.76 USER MOD Single : A 7 THR OG1 : rot 115:sc= 1.2 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.031 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0826 F(o=-2.2!,f=-0.083) USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N ILE A 4 4.672 1.360 6.933 1.00 1.00 N ATOM 41 CA ILE A 4 4.763 0.207 6.048 1.00 1.00 C ATOM 42 C ILE A 4 5.359 0.704 4.734 1.00 1.00 C ATOM 43 O ILE A 4 4.689 1.399 3.971 1.00 1.00 O ATOM 44 CB ILE A 4 3.398 -0.530 5.940 1.00 1.00 C ATOM 45 CG1 ILE A 4 3.498 -1.663 4.893 1.00 1.00 C ATOM 46 CG2 ILE A 4 2.197 0.408 5.702 1.00 1.00 C ATOM 47 CD1 ILE A 4 2.225 -2.499 4.717 1.00 1.00 C ATOM 0 HA ILE A 4 5.425 -0.567 6.436 1.00 1.00 H new ATOM 0 HB ILE A 4 3.189 -0.976 6.913 1.00 1.00 H new ATOM 0 HG12 ILE A 4 3.763 -1.225 3.931 1.00 1.00 H new ATOM 0 HG13 ILE A 4 4.314 -2.327 5.176 1.00 1.00 H new ATOM 0 HG21 ILE A 4 1.282 -0.181 5.638 1.00 1.00 H new ATOM 0 HG22 ILE A 4 2.117 1.114 6.529 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.342 0.955 4.771 1.00 1.00 H new ATOM 0 HD11 ILE A 4 2.395 -3.267 3.962 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.967 -2.972 5.664 1.00 1.00 H new ATOM 0 HD13 ILE A 4 1.407 -1.853 4.399 1.00 1.00 H new ATOM 59 N ARG A 5 6.647 0.438 4.502 1.00 1.00 N ATOM 60 CA ARG A 5 7.256 0.735 3.210 1.00 1.00 C ATOM 61 C ARG A 5 6.866 -0.336 2.199 1.00 1.00 C ATOM 62 O ARG A 5 6.355 -1.400 2.559 1.00 1.00 O ATOM 63 CB ARG A 5 8.782 0.891 3.317 1.00 1.00 C ATOM 64 CG ARG A 5 9.185 2.320 3.696 1.00 1.00 C ATOM 65 CD ARG A 5 10.700 2.514 3.565 1.00 1.00 C ATOM 66 NE ARG A 5 11.381 2.301 4.847 1.00 1.00 N ATOM 67 CZ ARG A 5 11.986 3.237 5.588 1.00 1.00 C ATOM 68 NH1 ARG A 5 12.024 4.506 5.191 1.00 1.00 N ATOM 69 NH2 ARG A 5 12.543 2.890 6.740 1.00 1.00 N ATOM 0 H ARG A 5 7.280 0.022 5.186 1.00 1.00 H new ATOM 0 HA ARG A 5 6.875 1.695 2.862 1.00 1.00 H new ATOM 0 HB2 ARG A 5 9.167 0.195 4.063 1.00 1.00 H new ATOM 0 HB3 ARG A 5 9.242 0.624 2.365 1.00 1.00 H new ATOM 0 HG2 ARG A 5 8.666 3.031 3.053 1.00 1.00 H new ATOM 0 HG3 ARG A 5 8.875 2.530 4.719 1.00 1.00 H new ATOM 0 HD2 ARG A 5 11.094 1.820 2.823 1.00 1.00 H new ATOM 0 HD3 ARG A 5 10.909 3.521 3.203 1.00 1.00 H new ATOM 0 HE ARG A 5 11.395 1.347 5.208 1.00 1.00 H new ATOM 0 HH11 ARG A 5 11.588 4.778 4.310 1.00 1.00 H new ATOM 0 HH12 ARG A 5 12.489 5.207 5.768 1.00 1.00 H new ATOM 0 HH21 ARG A 5 12.507 1.920 7.052 1.00 1.00 H new ATOM 0 HH22 ARG A 5 13.007 3.594 7.314 1.00 1.00 H new ATOM 83 N CYS A 6 7.155 -0.058 0.933 1.00 1.00 N ATOM 84 CA CYS A 6 7.008 -0.959 -0.193 1.00 1.00 C ATOM 85 C CYS A 6 8.170 -0.749 -1.140 1.00 1.00 C ATOM 86 O CYS A 6 8.598 0.387 -1.352 1.00 1.00 O ATOM 87 CB CYS A 6 5.723 -0.643 -0.959 1.00 1.00 C ATOM 88 SG CYS A 6 5.262 1.120 -1.036 1.00 1.00 S ATOM 0 H CYS A 6 7.518 0.854 0.654 1.00 1.00 H new ATOM 0 HA CYS A 6 6.978 -1.984 0.178 1.00 1.00 H new ATOM 0 HB2 CYS A 6 5.827 -1.017 -1.977 1.00 1.00 H new ATOM 0 HB3 CYS A 6 4.903 -1.194 -0.499 1.00 1.00 H new ATOM 93 N THR A 7 8.635 -1.817 -1.779 1.00 1.00 N ATOM 94 CA THR A 7 9.641 -1.683 -2.819 1.00 1.00 C ATOM 95 C THR A 7 9.064 -1.000 -4.069 1.00 1.00 C ATOM 96 O THR A 7 9.803 -0.261 -4.714 1.00 1.00 O ATOM 97 CB THR A 7 10.305 -3.045 -3.103 1.00 1.00 C ATOM 98 OG1 THR A 7 9.509 -4.134 -2.667 1.00 1.00 O ATOM 99 CG2 THR A 7 11.611 -3.146 -2.309 1.00 1.00 C ATOM 0 H THR A 7 8.334 -2.774 -1.596 1.00 1.00 H new ATOM 0 HA THR A 7 10.434 -1.022 -2.468 1.00 1.00 H new ATOM 0 HB THR A 7 10.454 -3.098 -4.181 1.00 1.00 H new ATOM 0 HG1 THR A 7 9.218 -4.658 -3.443 1.00 1.00 H new ATOM 0 HG21 THR A 7 12.084 -4.108 -2.507 1.00 1.00 H new ATOM 0 HG22 THR A 7 12.283 -2.342 -2.610 1.00 1.00 H new ATOM 0 HG23 THR A 7 11.397 -3.060 -1.244 1.00 1.00 H new ATOM 107 N GLY A 8 7.761 -1.136 -4.356 1.00 1.00 N ATOM 108 CA GLY A 8 7.088 -0.521 -5.499 1.00 1.00 C ATOM 109 C GLY A 8 5.573 -0.484 -5.287 1.00 1.00 C ATOM 110 O GLY A 8 5.076 -1.030 -4.301 1.00 1.00 O ATOM 0 H GLY A 8 7.132 -1.694 -3.779 1.00 1.00 H new ATOM 0 HA2 GLY A 8 7.463 0.492 -5.645 1.00 1.00 H new ATOM 0 HA3 GLY A 8 7.319 -1.080 -6.406 1.00 1.00 H new ATOM 114 N THR A 9 4.821 0.161 -6.185 1.00 1.00 N ATOM 115 CA THR A 9 3.379 0.355 -6.034 1.00 1.00 C ATOM 116 C THR A 9 2.644 -0.984 -5.924 1.00 1.00 C ATOM 117 O THR A 9 2.012 -1.241 -4.894 1.00 1.00 O ATOM 118 CB THR A 9 2.836 1.336 -7.100 1.00 1.00 C ATOM 119 OG1 THR A 9 1.524 1.766 -6.780 1.00 1.00 O ATOM 120 CG2 THR A 9 2.843 0.834 -8.547 1.00 1.00 C ATOM 0 H THR A 9 5.200 0.565 -7.042 1.00 1.00 H new ATOM 0 HA THR A 9 3.175 0.847 -5.083 1.00 1.00 H new ATOM 0 HB THR A 9 3.549 2.160 -7.063 1.00 1.00 H new ATOM 0 HG1 THR A 9 1.206 2.386 -7.469 1.00 1.00 H new ATOM 0 HG21 THR A 9 2.440 1.607 -9.202 1.00 1.00 H new ATOM 0 HG22 THR A 9 3.865 0.601 -8.846 1.00 1.00 H new ATOM 0 HG23 THR A 9 2.229 -0.063 -8.624 1.00 1.00 H new ATOM 128 N LYS A 10 2.723 -1.841 -6.950 1.00 1.00 N ATOM 129 CA LYS A 10 1.982 -3.099 -6.996 1.00 1.00 C ATOM 130 C LYS A 10 2.522 -4.100 -5.982 1.00 1.00 C ATOM 131 O LYS A 10 1.794 -4.997 -5.558 1.00 1.00 O ATOM 132 CB LYS A 10 1.951 -3.633 -8.436 1.00 1.00 C ATOM 133 CG LYS A 10 1.176 -4.952 -8.570 1.00 1.00 C ATOM 134 CD LYS A 10 0.756 -5.207 -10.018 1.00 1.00 C ATOM 135 CE LYS A 10 0.259 -6.646 -10.177 1.00 1.00 C ATOM 136 NZ LYS A 10 -0.169 -6.908 -11.564 1.00 1.00 N ATOM 0 H LYS A 10 3.305 -1.677 -7.771 1.00 1.00 H new ATOM 0 HA LYS A 10 0.948 -2.923 -6.700 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.498 -2.884 -9.086 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.973 -3.781 -8.785 1.00 1.00 H new ATOM 0 HG2 LYS A 10 1.795 -5.777 -8.218 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.292 -4.923 -7.933 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.030 -4.509 -10.305 1.00 1.00 H new ATOM 0 HD3 LYS A 10 1.599 -5.029 -10.686 1.00 1.00 H new ATOM 0 HE2 LYS A 10 1.052 -7.341 -9.900 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -0.573 -6.824 -9.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -0.501 -7.890 -11.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -0.941 -6.259 -11.817 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 0.633 -6.760 -12.209 1.00 1.00 H new ATOM 150 N ASP A 11 3.760 -3.899 -5.542 1.00 1.00 N ATOM 151 CA ASP A 11 4.404 -4.643 -4.473 1.00 1.00 C ATOM 152 C ASP A 11 3.534 -4.588 -3.212 1.00 1.00 C ATOM 153 O ASP A 11 3.217 -5.618 -2.623 1.00 1.00 O ATOM 154 CB ASP A 11 5.784 -4.022 -4.226 1.00 1.00 C ATOM 155 CG ASP A 11 6.817 -5.029 -3.764 1.00 1.00 C ATOM 156 OD1 ASP A 11 6.640 -5.643 -2.694 1.00 1.00 O ATOM 157 OD2 ASP A 11 7.867 -5.130 -4.440 1.00 1.00 O ATOM 0 H ASP A 11 4.365 -3.181 -5.940 1.00 1.00 H new ATOM 0 HA ASP A 11 4.526 -5.691 -4.746 1.00 1.00 H new ATOM 0 HB2 ASP A 11 6.132 -3.549 -5.144 1.00 1.00 H new ATOM 0 HB3 ASP A 11 5.693 -3.235 -3.477 1.00 1.00 H new ATOM 162 N CYS A 12 3.062 -3.390 -2.832 1.00 1.00 N ATOM 163 CA CYS A 12 2.188 -3.255 -1.668 1.00 1.00 C ATOM 164 C CYS A 12 0.735 -3.641 -1.954 1.00 1.00 C ATOM 165 O CYS A 12 -0.058 -3.680 -1.012 1.00 1.00 O ATOM 166 CB CYS A 12 2.262 -1.856 -1.048 1.00 1.00 C ATOM 167 SG CYS A 12 2.333 -1.918 0.765 1.00 1.00 S ATOM 0 H CYS A 12 3.271 -2.514 -3.311 1.00 1.00 H new ATOM 0 HA CYS A 12 2.570 -3.971 -0.940 1.00 1.00 H new ATOM 0 HB2 CYS A 12 3.142 -1.337 -1.428 1.00 1.00 H new ATOM 0 HB3 CYS A 12 1.392 -1.276 -1.357 1.00 1.00 H new ATOM 172 N TYR A 13 0.352 -3.963 -3.199 1.00 1.00 N ATOM 173 CA TYR A 13 -1.005 -4.450 -3.463 1.00 1.00 C ATOM 174 C TYR A 13 -1.226 -5.827 -2.820 1.00 1.00 C ATOM 175 O TYR A 13 -2.332 -6.352 -2.918 1.00 1.00 O ATOM 176 CB TYR A 13 -1.407 -4.419 -4.948 1.00 1.00 C ATOM 177 CG TYR A 13 -1.358 -3.090 -5.692 1.00 1.00 C ATOM 178 CD1 TYR A 13 -1.104 -1.866 -5.040 1.00 1.00 C ATOM 179 CD2 TYR A 13 -1.521 -3.100 -7.092 1.00 1.00 C ATOM 180 CE1 TYR A 13 -0.942 -0.683 -5.783 1.00 1.00 C ATOM 181 CE2 TYR A 13 -1.345 -1.926 -7.845 1.00 1.00 C ATOM 182 CZ TYR A 13 -1.033 -0.717 -7.187 1.00 1.00 C ATOM 183 OH TYR A 13 -0.778 0.408 -7.904 1.00 1.00 O ATOM 0 H TYR A 13 0.951 -3.896 -4.022 1.00 1.00 H new ATOM 0 HA TYR A 13 -1.683 -3.742 -2.986 1.00 1.00 H new ATOM 0 HB2 TYR A 13 -0.763 -5.119 -5.479 1.00 1.00 H new ATOM 0 HB3 TYR A 13 -2.425 -4.802 -5.023 1.00 1.00 H new ATOM 0 HD1 TYR A 13 -1.033 -1.837 -3.963 1.00 1.00 H new ATOM 0 HD2 TYR A 13 -1.784 -4.020 -7.592 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.748 0.251 -5.277 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -1.448 -1.949 -8.920 1.00 1.00 H new ATOM 0 HH TYR A 13 -0.001 0.869 -7.524 1.00 1.00 H new ATOM 193 N ILE A 14 -0.207 -6.452 -2.211 1.00 1.00 N ATOM 194 CA ILE A 14 -0.407 -7.670 -1.442 1.00 1.00 C ATOM 195 C ILE A 14 -0.865 -7.147 -0.055 1.00 1.00 C ATOM 196 O ILE A 14 -2.078 -7.120 0.173 1.00 1.00 O ATOM 197 CB ILE A 14 0.789 -8.658 -1.488 1.00 1.00 C ATOM 198 CG1 ILE A 14 1.027 -9.213 -2.912 1.00 1.00 C ATOM 199 CG2 ILE A 14 0.500 -9.841 -0.547 1.00 1.00 C ATOM 200 CD1 ILE A 14 2.014 -8.382 -3.734 1.00 1.00 C ATOM 0 H ILE A 14 0.759 -6.127 -2.241 1.00 1.00 H new ATOM 0 HA ILE A 14 -1.165 -8.335 -1.857 1.00 1.00 H new ATOM 0 HB ILE A 14 1.681 -8.114 -1.178 1.00 1.00 H new ATOM 0 HG12 ILE A 14 1.399 -10.235 -2.838 1.00 1.00 H new ATOM 0 HG13 ILE A 14 0.074 -9.258 -3.440 1.00 1.00 H new ATOM 0 HG21 ILE A 14 1.336 -10.540 -0.574 1.00 1.00 H new ATOM 0 HG22 ILE A 14 0.367 -9.473 0.470 1.00 1.00 H new ATOM 0 HG23 ILE A 14 -0.408 -10.349 -0.870 1.00 1.00 H new ATOM 0 HD11 ILE A 14 2.133 -8.829 -4.721 1.00 1.00 H new ATOM 0 HD12 ILE A 14 1.634 -7.366 -3.840 1.00 1.00 H new ATOM 0 HD13 ILE A 14 2.979 -8.358 -3.228 1.00 1.00 H new ATOM 212 N PRO A 15 0.009 -6.639 0.840 1.00 1.00 N ATOM 213 CA PRO A 15 -0.381 -6.276 2.199 1.00 1.00 C ATOM 214 C PRO A 15 -1.421 -5.155 2.247 1.00 1.00 C ATOM 215 O PRO A 15 -2.491 -5.370 2.809 1.00 1.00 O ATOM 216 CB PRO A 15 0.907 -5.908 2.938 1.00 1.00 C ATOM 217 CG PRO A 15 1.840 -5.481 1.809 1.00 1.00 C ATOM 218 CD PRO A 15 1.437 -6.415 0.677 1.00 1.00 C ATOM 0 HA PRO A 15 -0.879 -7.117 2.682 1.00 1.00 H new ATOM 0 HB2 PRO A 15 0.745 -5.103 3.654 1.00 1.00 H new ATOM 0 HB3 PRO A 15 1.309 -6.754 3.495 1.00 1.00 H new ATOM 0 HG2 PRO A 15 1.699 -4.434 1.541 1.00 1.00 H new ATOM 0 HG3 PRO A 15 2.888 -5.602 2.081 1.00 1.00 H new ATOM 0 HD2 PRO A 15 1.655 -5.970 -0.294 1.00 1.00 H new ATOM 0 HD3 PRO A 15 1.989 -7.354 0.729 1.00 1.00 H new ATOM 226 N CYS A 16 -1.155 -3.980 1.662 1.00 1.00 N ATOM 227 CA CYS A 16 -2.052 -2.830 1.783 1.00 1.00 C ATOM 228 C CYS A 16 -3.450 -3.206 1.294 1.00 1.00 C ATOM 229 O CYS A 16 -4.444 -2.940 1.968 1.00 1.00 O ATOM 230 CB CYS A 16 -1.532 -1.616 0.991 1.00 1.00 C ATOM 231 SG CYS A 16 -1.326 -0.080 1.923 1.00 1.00 S ATOM 0 H CYS A 16 -0.323 -3.803 1.099 1.00 1.00 H new ATOM 0 HA CYS A 16 -2.093 -2.550 2.836 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.571 -1.881 0.551 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -2.219 -1.426 0.166 1.00 1.00 H new ATOM 236 N ARG A 17 -3.531 -3.859 0.129 1.00 1.00 N ATOM 237 CA ARG A 17 -4.816 -4.275 -0.417 1.00 1.00 C ATOM 238 C ARG A 17 -5.411 -5.435 0.370 1.00 1.00 C ATOM 239 O ARG A 17 -6.632 -5.535 0.408 1.00 1.00 O ATOM 240 CB ARG A 17 -4.683 -4.646 -1.892 1.00 1.00 C ATOM 241 CG ARG A 17 -5.993 -4.513 -2.678 1.00 1.00 C ATOM 242 CD ARG A 17 -6.517 -5.838 -3.239 1.00 1.00 C ATOM 243 NE ARG A 17 -7.082 -6.708 -2.201 1.00 1.00 N ATOM 244 CZ ARG A 17 -7.420 -7.991 -2.374 1.00 1.00 C ATOM 245 NH1 ARG A 17 -7.178 -8.592 -3.540 1.00 1.00 N ATOM 246 NH2 ARG A 17 -8.019 -8.650 -1.385 1.00 1.00 N ATOM 0 H ARG A 17 -2.725 -4.107 -0.446 1.00 1.00 H new ATOM 0 HA ARG A 17 -5.497 -3.428 -0.329 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -3.927 -4.009 -2.352 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -4.325 -5.673 -1.969 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -6.753 -4.079 -2.028 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -5.842 -3.815 -3.502 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -7.279 -5.634 -3.991 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -5.704 -6.361 -3.743 1.00 1.00 H new ATOM 0 HE ARG A 17 -7.228 -6.303 -1.276 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -6.736 -8.074 -4.299 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -7.435 -9.570 -3.673 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -8.217 -8.177 -0.503 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -8.280 -9.628 -1.509 1.00 1.00 H new ATOM 260 N TYR A 18 -4.612 -6.319 0.973 1.00 1.00 N ATOM 261 CA TYR A 18 -5.160 -7.351 1.844 1.00 1.00 C ATOM 262 C TYR A 18 -5.775 -6.707 3.093 1.00 1.00 C ATOM 263 O TYR A 18 -6.887 -7.075 3.466 1.00 1.00 O ATOM 264 CB TYR A 18 -4.091 -8.395 2.198 1.00 1.00 C ATOM 265 CG TYR A 18 -4.608 -9.531 3.057 1.00 1.00 C ATOM 266 CD1 TYR A 18 -4.625 -9.396 4.458 1.00 1.00 C ATOM 267 CD2 TYR A 18 -5.114 -10.705 2.461 1.00 1.00 C ATOM 268 CE1 TYR A 18 -5.171 -10.409 5.258 1.00 1.00 C ATOM 269 CE2 TYR A 18 -5.650 -11.731 3.262 1.00 1.00 C ATOM 270 CZ TYR A 18 -5.696 -11.576 4.667 1.00 1.00 C ATOM 271 OH TYR A 18 -6.246 -12.528 5.466 1.00 1.00 O ATOM 0 H TYR A 18 -3.597 -6.338 0.874 1.00 1.00 H new ATOM 0 HA TYR A 18 -5.953 -7.880 1.316 1.00 1.00 H new ATOM 0 HB2 TYR A 18 -3.679 -8.807 1.277 1.00 1.00 H new ATOM 0 HB3 TYR A 18 -3.272 -7.900 2.720 1.00 1.00 H new ATOM 0 HD1 TYR A 18 -4.216 -8.509 4.918 1.00 1.00 H new ATOM 0 HD2 TYR A 18 -5.090 -10.817 1.387 1.00 1.00 H new ATOM 0 HE1 TYR A 18 -5.190 -10.295 6.332 1.00 1.00 H new ATOM 0 HE2 TYR A 18 -6.025 -12.635 2.805 1.00 1.00 H new ATOM 0 HH TYR A 18 -6.566 -13.273 4.915 1.00 1.00 H new ATOM 281 N ILE A 19 -5.082 -5.761 3.740 1.00 1.00 N ATOM 282 CA ILE A 19 -5.567 -5.093 4.946 1.00 1.00 C ATOM 283 C ILE A 19 -6.812 -4.268 4.592 1.00 1.00 C ATOM 284 O ILE A 19 -7.872 -4.488 5.175 1.00 1.00 O ATOM 285 CB ILE A 19 -4.429 -4.289 5.645 1.00 1.00 C ATOM 286 CG1 ILE A 19 -3.541 -5.205 6.529 1.00 1.00 C ATOM 287 CG2 ILE A 19 -4.969 -3.187 6.578 1.00 1.00 C ATOM 288 CD1 ILE A 19 -2.505 -6.048 5.778 1.00 1.00 C ATOM 0 H ILE A 19 -4.163 -5.438 3.436 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.875 -5.825 5.692 1.00 1.00 H new ATOM 0 HB ILE A 19 -3.857 -3.849 4.828 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.019 -4.583 7.256 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -4.190 -5.876 7.092 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.134 -2.659 7.038 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.570 -2.484 6.001 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.586 -3.638 7.355 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -1.940 -6.650 6.490 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -3.013 -6.704 5.071 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -1.824 -5.391 5.238 1.00 1.00 H new ATOM 300 N THR A 20 -6.714 -3.327 3.651 1.00 1.00 N ATOM 301 CA THR A 20 -7.814 -2.414 3.347 1.00 1.00 C ATOM 302 C THR A 20 -8.951 -3.143 2.605 1.00 1.00 C ATOM 303 O THR A 20 -10.117 -2.747 2.682 1.00 1.00 O ATOM 304 CB THR A 20 -7.227 -1.185 2.613 1.00 1.00 C ATOM 305 OG1 THR A 20 -7.879 0.012 2.953 1.00 1.00 O ATOM 306 CG2 THR A 20 -7.254 -1.270 1.087 1.00 1.00 C ATOM 0 H THR A 20 -5.879 -3.178 3.084 1.00 1.00 H new ATOM 0 HA THR A 20 -8.292 -2.046 4.255 1.00 1.00 H new ATOM 0 HB THR A 20 -6.191 -1.188 2.952 1.00 1.00 H new ATOM 0 HG1 THR A 20 -7.470 0.757 2.465 1.00 1.00 H new ATOM 0 HG21 THR A 20 -6.822 -0.363 0.664 1.00 1.00 H new ATOM 0 HG22 THR A 20 -6.675 -2.134 0.760 1.00 1.00 H new ATOM 0 HG23 THR A 20 -8.284 -1.374 0.747 1.00 1.00 H new ATOM 314 N GLY A 21 -8.637 -4.240 1.913 1.00 1.00 N ATOM 315 CA GLY A 21 -9.537 -5.015 1.080 1.00 1.00 C ATOM 316 C GLY A 21 -9.683 -4.388 -0.303 1.00 1.00 C ATOM 317 O GLY A 21 -9.374 -5.026 -1.311 1.00 1.00 O ATOM 0 H GLY A 21 -7.693 -4.627 1.925 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -9.161 -6.034 0.983 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -10.514 -5.080 1.558 1.00 1.00 H new ATOM 321 N CYS A 22 -10.161 -3.145 -0.355 1.00 1.00 N ATOM 322 CA CYS A 22 -10.448 -2.426 -1.591 1.00 1.00 C ATOM 323 C CYS A 22 -9.169 -2.195 -2.398 1.00 1.00 C ATOM 324 O CYS A 22 -8.115 -1.906 -1.830 1.00 1.00 O ATOM 325 CB CYS A 22 -11.115 -1.094 -1.238 1.00 1.00 C ATOM 326 SG CYS A 22 -12.531 -1.287 -0.122 1.00 1.00 S ATOM 0 H CYS A 22 -10.363 -2.599 0.482 1.00 1.00 H new ATOM 0 HA CYS A 22 -11.120 -3.020 -2.210 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -10.380 -0.437 -0.773 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -11.445 -0.605 -2.154 1.00 1.00 H new ATOM 0 HG CYS A 22 -13.043 -0.120 0.135 1.00 1.00 H new ATOM 331 N PHE A 23 -9.246 -2.286 -3.727 1.00 1.00 N ATOM 332 CA PHE A 23 -8.090 -2.115 -4.598 1.00 1.00 C ATOM 333 C PHE A 23 -7.794 -0.636 -4.830 1.00 1.00 C ATOM 334 O PHE A 23 -8.011 -0.109 -5.921 1.00 1.00 O ATOM 335 CB PHE A 23 -8.255 -2.914 -5.902 1.00 1.00 C ATOM 336 CG PHE A 23 -6.996 -2.966 -6.756 1.00 1.00 C ATOM 337 CD1 PHE A 23 -5.981 -3.897 -6.467 1.00 1.00 C ATOM 338 CD2 PHE A 23 -6.827 -2.085 -7.842 1.00 1.00 C ATOM 339 CE1 PHE A 23 -4.804 -3.932 -7.231 1.00 1.00 C ATOM 340 CE2 PHE A 23 -5.648 -2.113 -8.606 1.00 1.00 C ATOM 341 CZ PHE A 23 -4.636 -3.034 -8.301 1.00 1.00 C ATOM 0 H PHE A 23 -10.114 -2.481 -4.226 1.00 1.00 H new ATOM 0 HA PHE A 23 -7.213 -2.528 -4.099 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -8.559 -3.932 -5.657 1.00 1.00 H new ATOM 0 HB3 PHE A 23 -9.062 -2.473 -6.488 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -6.109 -4.591 -5.650 1.00 1.00 H new ATOM 0 HD2 PHE A 23 -7.609 -1.383 -8.089 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -4.029 -4.647 -6.998 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -5.521 -1.425 -9.429 1.00 1.00 H new ATOM 0 HZ PHE A 23 -3.729 -3.054 -8.887 1.00 1.00 H new ATOM 351 N ASN A 24 -7.322 0.061 -3.799 1.00 1.00 N ATOM 352 CA ASN A 24 -6.854 1.427 -3.936 1.00 1.00 C ATOM 353 C ASN A 24 -5.755 1.666 -2.914 1.00 1.00 C ATOM 354 O ASN A 24 -6.002 2.029 -1.760 1.00 1.00 O ATOM 355 CB ASN A 24 -7.976 2.460 -3.847 1.00 1.00 C ATOM 356 CG ASN A 24 -7.439 3.813 -4.296 1.00 1.00 C ATOM 357 OD1 ASN A 24 -6.801 4.557 -3.418 1.00 1.00 O flip ATOM 358 ND2 ASN A 24 -7.514 4.181 -5.465 1.00 1.00 N flip ATOM 0 H ASN A 24 -7.256 -0.309 -2.851 1.00 1.00 H new ATOM 0 HA ASN A 24 -6.448 1.559 -4.939 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.815 2.160 -4.475 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.350 2.523 -2.825 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -8.007 3.608 -6.149 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.083 5.060 -5.752 1.00 1.00 H new ATOM 365 N SER A 25 -4.529 1.451 -3.370 1.00 1.00 N ATOM 366 CA SER A 25 -3.301 1.643 -2.627 1.00 1.00 C ATOM 367 C SER A 25 -2.352 2.497 -3.466 1.00 1.00 C ATOM 368 O SER A 25 -2.405 2.467 -4.701 1.00 1.00 O ATOM 369 CB SER A 25 -2.660 0.283 -2.305 1.00 1.00 C ATOM 370 OG SER A 25 -3.612 -0.714 -1.966 1.00 1.00 O ATOM 0 H SER A 25 -4.360 1.120 -4.320 1.00 1.00 H new ATOM 0 HA SER A 25 -3.511 2.149 -1.685 1.00 1.00 H new ATOM 0 HB2 SER A 25 -2.082 -0.053 -3.166 1.00 1.00 H new ATOM 0 HB3 SER A 25 -1.960 0.404 -1.479 1.00 1.00 H new ATOM 0 HG SER A 25 -3.171 -1.588 -1.929 1.00 1.00 H new ATOM 376 N ARG A 26 -1.476 3.244 -2.799 1.00 1.00 N ATOM 377 CA ARG A 26 -0.397 4.010 -3.404 1.00 1.00 C ATOM 378 C ARG A 26 0.874 3.711 -2.626 1.00 1.00 C ATOM 379 O ARG A 26 0.816 3.246 -1.487 1.00 1.00 O ATOM 380 CB ARG A 26 -0.702 5.518 -3.390 1.00 1.00 C ATOM 381 CG ARG A 26 -1.793 5.903 -4.398 1.00 1.00 C ATOM 382 CD ARG A 26 -1.860 7.423 -4.578 1.00 1.00 C ATOM 383 NE ARG A 26 -2.555 7.794 -5.821 1.00 1.00 N ATOM 384 CZ ARG A 26 -1.996 7.978 -7.025 1.00 1.00 C ATOM 385 NH1 ARG A 26 -0.709 7.715 -7.236 1.00 1.00 N ATOM 386 NH2 ARG A 26 -2.725 8.431 -8.039 1.00 1.00 N ATOM 0 H ARG A 26 -1.502 3.334 -1.783 1.00 1.00 H new ATOM 0 HA ARG A 26 -0.281 3.723 -4.449 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -1.016 5.813 -2.389 1.00 1.00 H new ATOM 0 HB3 ARG A 26 0.209 6.072 -3.615 1.00 1.00 H new ATOM 0 HG2 ARG A 26 -1.591 5.428 -5.358 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -2.758 5.531 -4.055 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -2.375 7.868 -3.727 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -0.850 7.833 -4.590 1.00 1.00 H new ATOM 0 HE ARG A 26 -3.565 7.924 -5.760 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -0.128 7.366 -6.474 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -0.303 7.862 -8.160 1.00 1.00 H new ATOM 0 HH21 ARG A 26 -3.714 8.640 -7.903 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -2.296 8.570 -8.954 1.00 1.00 H new ATOM 400 N CYS A 27 2.011 4.024 -3.236 1.00 1.00 N ATOM 401 CA CYS A 27 3.330 3.960 -2.637 1.00 1.00 C ATOM 402 C CYS A 27 3.981 5.304 -2.908 1.00 1.00 C ATOM 403 O CYS A 27 4.173 5.650 -4.071 1.00 1.00 O ATOM 404 CB CYS A 27 4.135 2.809 -3.234 1.00 1.00 C ATOM 405 SG CYS A 27 3.786 1.230 -2.421 1.00 1.00 S ATOM 0 H CYS A 27 2.035 4.343 -4.205 1.00 1.00 H new ATOM 0 HA CYS A 27 3.279 3.769 -1.565 1.00 1.00 H new ATOM 0 HB2 CYS A 27 3.910 2.725 -4.297 1.00 1.00 H new ATOM 0 HB3 CYS A 27 5.199 3.031 -3.150 1.00 1.00 H new ATOM 410 N ILE A 28 4.252 6.082 -1.868 1.00 1.00 N ATOM 411 CA ILE A 28 4.740 7.452 -1.960 1.00 1.00 C ATOM 412 C ILE A 28 5.776 7.614 -0.849 1.00 1.00 C ATOM 413 O ILE A 28 5.556 7.126 0.258 1.00 1.00 O ATOM 414 CB ILE A 28 3.540 8.433 -1.884 1.00 1.00 C ATOM 415 CG1 ILE A 28 3.953 9.911 -1.716 1.00 1.00 C ATOM 416 CG2 ILE A 28 2.534 8.074 -0.770 1.00 1.00 C ATOM 417 CD1 ILE A 28 4.710 10.487 -2.913 1.00 1.00 C ATOM 0 H ILE A 28 4.134 5.766 -0.905 1.00 1.00 H new ATOM 0 HA ILE A 28 5.226 7.680 -2.909 1.00 1.00 H new ATOM 0 HB ILE A 28 3.057 8.318 -2.854 1.00 1.00 H new ATOM 0 HG12 ILE A 28 3.059 10.510 -1.543 1.00 1.00 H new ATOM 0 HG13 ILE A 28 4.576 10.004 -0.827 1.00 1.00 H new ATOM 0 HG21 ILE A 28 1.719 8.797 -0.769 1.00 1.00 H new ATOM 0 HG22 ILE A 28 2.133 7.076 -0.949 1.00 1.00 H new ATOM 0 HG23 ILE A 28 3.038 8.094 0.196 1.00 1.00 H new ATOM 0 HD11 ILE A 28 4.964 11.529 -2.716 1.00 1.00 H new ATOM 0 HD12 ILE A 28 5.624 9.915 -3.075 1.00 1.00 H new ATOM 0 HD13 ILE A 28 4.083 10.428 -3.803 1.00 1.00 H new ATOM 429 N ASN A 29 6.917 8.260 -1.123 1.00 1.00 N ATOM 430 CA ASN A 29 8.043 8.341 -0.181 1.00 1.00 C ATOM 431 C ASN A 29 8.393 6.934 0.328 1.00 1.00 C ATOM 432 O ASN A 29 8.560 6.714 1.530 1.00 1.00 O ATOM 433 CB ASN A 29 7.748 9.336 0.961 1.00 1.00 C ATOM 434 CG ASN A 29 7.816 10.779 0.503 1.00 1.00 C ATOM 435 OD1 ASN A 29 8.896 11.274 0.179 1.00 1.00 O ATOM 436 ND2 ASN A 29 6.701 11.482 0.470 1.00 1.00 N ATOM 0 H ASN A 29 7.086 8.742 -2.006 1.00 1.00 H new ATOM 0 HA ASN A 29 8.919 8.733 -0.698 1.00 1.00 H new ATOM 0 HB2 ASN A 29 6.758 9.134 1.369 1.00 1.00 H new ATOM 0 HB3 ASN A 29 8.463 9.180 1.769 1.00 1.00 H new ATOM 0 HD21 ASN A 29 6.722 12.457 0.171 1.00 1.00 H new ATOM 0 HD22 ASN A 29 5.818 11.051 0.743 1.00 1.00 H new ATOM 443 N LYS A 30 8.426 5.962 -0.595 1.00 1.00 N ATOM 444 CA LYS A 30 8.583 4.519 -0.382 1.00 1.00 C ATOM 445 C LYS A 30 7.530 3.905 0.560 1.00 1.00 C ATOM 446 O LYS A 30 7.547 2.694 0.773 1.00 1.00 O ATOM 447 CB LYS A 30 10.050 4.219 0.007 1.00 1.00 C ATOM 448 CG LYS A 30 10.433 2.747 -0.223 1.00 1.00 C ATOM 449 CD LYS A 30 11.939 2.485 -0.128 1.00 1.00 C ATOM 450 CE LYS A 30 12.169 0.974 -0.275 1.00 1.00 C ATOM 451 NZ LYS A 30 13.598 0.609 -0.245 1.00 1.00 N ATOM 0 H LYS A 30 8.336 6.184 -1.587 1.00 1.00 H new ATOM 0 HA LYS A 30 8.377 4.007 -1.322 1.00 1.00 H new ATOM 0 HB2 LYS A 30 10.714 4.859 -0.574 1.00 1.00 H new ATOM 0 HB3 LYS A 30 10.203 4.471 1.056 1.00 1.00 H new ATOM 0 HG2 LYS A 30 9.918 2.127 0.510 1.00 1.00 H new ATOM 0 HG3 LYS A 30 10.080 2.437 -1.207 1.00 1.00 H new ATOM 0 HD2 LYS A 30 12.470 3.029 -0.909 1.00 1.00 H new ATOM 0 HD3 LYS A 30 12.328 2.838 0.827 1.00 1.00 H new ATOM 0 HE2 LYS A 30 11.648 0.452 0.528 1.00 1.00 H new ATOM 0 HE3 LYS A 30 11.731 0.634 -1.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 13.695 -0.421 -0.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 14.094 1.084 -1.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 14.014 0.907 0.661 1.00 1.00 H new ATOM 465 N SER A 31 6.575 4.678 1.075 1.00 1.00 N ATOM 466 CA SER A 31 5.608 4.285 2.081 1.00 1.00 C ATOM 467 C SER A 31 4.300 3.933 1.384 1.00 1.00 C ATOM 468 O SER A 31 3.852 4.667 0.499 1.00 1.00 O ATOM 469 CB SER A 31 5.432 5.465 3.042 1.00 1.00 C ATOM 470 OG SER A 31 5.035 5.036 4.328 1.00 1.00 O ATOM 0 H SER A 31 6.455 5.647 0.781 1.00 1.00 H new ATOM 0 HA SER A 31 5.938 3.413 2.645 1.00 1.00 H new ATOM 0 HB2 SER A 31 6.369 6.017 3.116 1.00 1.00 H new ATOM 0 HB3 SER A 31 4.687 6.153 2.642 1.00 1.00 H new ATOM 0 HG SER A 31 4.934 5.814 4.916 1.00 1.00 H new ATOM 476 N CYS A 32 3.693 2.805 1.755 1.00 1.00 N ATOM 477 CA CYS A 32 2.378 2.444 1.260 1.00 1.00 C ATOM 478 C CYS A 32 1.336 3.320 1.939 1.00 1.00 C ATOM 479 O CYS A 32 1.472 3.658 3.119 1.00 1.00 O ATOM 480 CB CYS A 32 2.008 0.988 1.556 1.00 1.00 C ATOM 481 SG CYS A 32 3.305 -0.231 1.328 1.00 1.00 S ATOM 0 H CYS A 32 4.099 2.127 2.400 1.00 1.00 H new ATOM 0 HA CYS A 32 2.400 2.583 0.179 1.00 1.00 H new ATOM 0 HB2 CYS A 32 1.661 0.927 2.587 1.00 1.00 H new ATOM 0 HB3 CYS A 32 1.167 0.714 0.920 1.00 1.00 H new ATOM 486 N LYS A 33 0.260 3.611 1.217 1.00 1.00 N ATOM 487 CA LYS A 33 -0.926 4.295 1.706 1.00 1.00 C ATOM 488 C LYS A 33 -2.073 3.518 1.086 1.00 1.00 C ATOM 489 O LYS A 33 -2.190 3.522 -0.139 1.00 1.00 O ATOM 490 CB LYS A 33 -0.934 5.772 1.264 1.00 1.00 C ATOM 491 CG LYS A 33 0.104 6.656 1.975 1.00 1.00 C ATOM 492 CD LYS A 33 -0.237 6.948 3.450 1.00 1.00 C ATOM 493 CE LYS A 33 0.872 6.464 4.394 1.00 1.00 C ATOM 494 NZ LYS A 33 0.647 6.905 5.784 1.00 1.00 N ATOM 0 H LYS A 33 0.190 3.364 0.230 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.984 4.321 2.794 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.756 5.818 0.190 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -1.927 6.186 1.441 1.00 1.00 H new ATOM 0 HG2 LYS A 33 1.078 6.169 1.926 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.193 7.600 1.438 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.387 8.019 3.584 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.176 6.459 3.710 1.00 1.00 H new ATOM 0 HE2 LYS A 33 0.925 5.376 4.363 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.834 6.840 4.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 1.419 6.557 6.388 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 0.622 7.944 5.819 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -0.259 6.525 6.126 1.00 1.00 H new ATOM 508 N CYS A 34 -2.882 2.821 1.882 1.00 1.00 N ATOM 509 CA CYS A 34 -4.061 2.131 1.368 1.00 1.00 C ATOM 510 C CYS A 34 -5.254 3.033 1.646 1.00 1.00 C ATOM 511 O CYS A 34 -5.205 3.868 2.554 1.00 1.00 O ATOM 512 CB CYS A 34 -4.274 0.755 2.015 1.00 1.00 C ATOM 513 SG CYS A 34 -2.986 0.078 3.083 1.00 1.00 S ATOM 0 H CYS A 34 -2.741 2.720 2.887 1.00 1.00 H new ATOM 0 HA CYS A 34 -3.933 1.942 0.302 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -5.193 0.806 2.600 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -4.446 0.038 1.212 1.00 1.00 H new ATOM 518 N TYR A 35 -6.317 2.888 0.860 1.00 1.00 N ATOM 519 CA TYR A 35 -7.485 3.739 0.958 1.00 1.00 C ATOM 520 C TYR A 35 -8.711 2.839 0.982 1.00 1.00 C ATOM 521 O TYR A 35 -9.116 2.314 -0.060 1.00 1.00 O ATOM 522 CB TYR A 35 -7.534 4.741 -0.197 1.00 1.00 C ATOM 523 CG TYR A 35 -6.340 5.675 -0.348 1.00 1.00 C ATOM 524 CD1 TYR A 35 -5.094 5.195 -0.806 1.00 1.00 C ATOM 525 CD2 TYR A 35 -6.494 7.050 -0.096 1.00 1.00 C ATOM 526 CE1 TYR A 35 -4.017 6.072 -1.011 1.00 1.00 C ATOM 527 CE2 TYR A 35 -5.429 7.938 -0.332 1.00 1.00 C ATOM 528 CZ TYR A 35 -4.185 7.453 -0.795 1.00 1.00 C ATOM 529 OH TYR A 35 -3.168 8.312 -1.071 1.00 1.00 O ATOM 0 H TYR A 35 -6.387 2.172 0.136 1.00 1.00 H new ATOM 0 HA TYR A 35 -7.449 4.333 1.872 1.00 1.00 H new ATOM 0 HB2 TYR A 35 -7.648 4.183 -1.126 1.00 1.00 H new ATOM 0 HB3 TYR A 35 -8.430 5.351 -0.080 1.00 1.00 H new ATOM 0 HD1 TYR A 35 -4.968 4.140 -1.001 1.00 1.00 H new ATOM 0 HD2 TYR A 35 -7.434 7.426 0.280 1.00 1.00 H new ATOM 0 HE1 TYR A 35 -3.061 5.688 -1.334 1.00 1.00 H new ATOM 0 HE2 TYR A 35 -5.563 8.996 -0.159 1.00 1.00 H new ATOM 0 HH TYR A 35 -3.449 9.228 -0.867 1.00 1.00 H new