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 78:sc= 0.478 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 156:sc= 0.00902 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : A 25 SER OG : rot -118:sc= 0.00166 USER MOD Single : A 29 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= 0.0278 (180deg=0) USER MOD Single : A 31 SER OG : rot 75:sc= 0.823 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0.876 USER MOD ----------------------------------------------------------------- ATOM 40 N ILE A 4 5.678 2.193 6.475 1.00 1.00 N ATOM 41 CA ILE A 4 5.841 1.058 5.570 1.00 1.00 C ATOM 42 C ILE A 4 6.941 1.410 4.554 1.00 1.00 C ATOM 43 O ILE A 4 7.286 2.588 4.399 1.00 1.00 O ATOM 44 CB ILE A 4 4.462 0.739 4.933 1.00 1.00 C ATOM 45 CG1 ILE A 4 4.529 -0.378 3.873 1.00 1.00 C ATOM 46 CG2 ILE A 4 3.806 2.010 4.362 1.00 1.00 C ATOM 47 CD1 ILE A 4 3.188 -1.080 3.661 1.00 1.00 C ATOM 0 HA ILE A 4 6.164 0.151 6.081 1.00 1.00 H new ATOM 0 HB ILE A 4 3.833 0.359 5.738 1.00 1.00 H new ATOM 0 HG12 ILE A 4 4.865 0.046 2.927 1.00 1.00 H new ATOM 0 HG13 ILE A 4 5.274 -1.114 4.175 1.00 1.00 H new ATOM 0 HG21 ILE A 4 2.842 1.756 3.922 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.660 2.735 5.163 1.00 1.00 H new ATOM 0 HG23 ILE A 4 4.452 2.440 3.596 1.00 1.00 H new ATOM 0 HD11 ILE A 4 3.299 -1.856 2.903 1.00 1.00 H new ATOM 0 HD12 ILE A 4 2.862 -1.532 4.598 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.445 -0.354 3.330 1.00 1.00 H new ATOM 59 N ARG A 5 7.469 0.420 3.822 1.00 1.00 N ATOM 60 CA ARG A 5 8.454 0.630 2.767 1.00 1.00 C ATOM 61 C ARG A 5 8.052 -0.111 1.501 1.00 1.00 C ATOM 62 O ARG A 5 7.874 -1.328 1.541 1.00 1.00 O ATOM 63 CB ARG A 5 9.842 0.191 3.279 1.00 1.00 C ATOM 64 CG ARG A 5 10.978 0.484 2.283 1.00 1.00 C ATOM 65 CD ARG A 5 11.266 -0.615 1.251 1.00 1.00 C ATOM 66 NE ARG A 5 12.025 -1.740 1.818 1.00 1.00 N ATOM 67 CZ ARG A 5 13.002 -2.408 1.192 1.00 1.00 C ATOM 68 NH1 ARG A 5 13.348 -2.128 -0.057 1.00 1.00 N ATOM 69 NH2 ARG A 5 13.658 -3.369 1.822 1.00 1.00 N ATOM 0 H ARG A 5 7.217 -0.560 3.952 1.00 1.00 H new ATOM 0 HA ARG A 5 8.500 1.688 2.510 1.00 1.00 H new ATOM 0 HB2 ARG A 5 10.052 0.700 4.220 1.00 1.00 H new ATOM 0 HB3 ARG A 5 9.822 -0.878 3.492 1.00 1.00 H new ATOM 0 HG2 ARG A 5 10.738 1.403 1.749 1.00 1.00 H new ATOM 0 HG3 ARG A 5 11.891 0.673 2.848 1.00 1.00 H new ATOM 0 HD2 ARG A 5 10.323 -0.985 0.847 1.00 1.00 H new ATOM 0 HD3 ARG A 5 11.824 -0.188 0.418 1.00 1.00 H new ATOM 0 HE ARG A 5 11.788 -2.035 2.765 1.00 1.00 H new ATOM 0 HH11 ARG A 5 12.866 -1.387 -0.566 1.00 1.00 H new ATOM 0 HH12 ARG A 5 14.096 -2.654 -0.509 1.00 1.00 H new ATOM 0 HH21 ARG A 5 13.420 -3.602 2.786 1.00 1.00 H new ATOM 0 HH22 ARG A 5 14.402 -3.877 1.344 1.00 1.00 H new ATOM 83 N CYS A 6 7.958 0.600 0.378 1.00 1.00 N ATOM 84 CA CYS A 6 7.746 0.025 -0.943 1.00 1.00 C ATOM 85 C CYS A 6 8.780 0.636 -1.875 1.00 1.00 C ATOM 86 O CYS A 6 8.929 1.860 -1.933 1.00 1.00 O ATOM 87 CB CYS A 6 6.332 0.256 -1.481 1.00 1.00 C ATOM 88 SG CYS A 6 5.700 1.958 -1.493 1.00 1.00 S ATOM 0 H CYS A 6 8.029 1.617 0.365 1.00 1.00 H new ATOM 0 HA CYS A 6 7.858 -1.057 -0.877 1.00 1.00 H new ATOM 0 HB2 CYS A 6 6.296 -0.122 -2.503 1.00 1.00 H new ATOM 0 HB3 CYS A 6 5.646 -0.352 -0.892 1.00 1.00 H new ATOM 93 N THR A 7 9.500 -0.213 -2.597 1.00 1.00 N ATOM 94 CA THR A 7 10.423 0.222 -3.629 1.00 1.00 C ATOM 95 C THR A 7 9.644 0.245 -4.939 1.00 1.00 C ATOM 96 O THR A 7 9.544 1.290 -5.581 1.00 1.00 O ATOM 97 CB THR A 7 11.627 -0.726 -3.678 1.00 1.00 C ATOM 98 OG1 THR A 7 12.111 -0.956 -2.367 1.00 1.00 O ATOM 99 CG2 THR A 7 12.748 -0.150 -4.539 1.00 1.00 C ATOM 0 H THR A 7 9.458 -1.225 -2.480 1.00 1.00 H new ATOM 0 HA THR A 7 10.822 1.217 -3.430 1.00 1.00 H new ATOM 0 HB THR A 7 11.299 -1.666 -4.122 1.00 1.00 H new ATOM 0 HG1 THR A 7 11.530 -1.602 -1.913 1.00 1.00 H new ATOM 0 HG21 THR A 7 13.588 -0.844 -4.555 1.00 1.00 H new ATOM 0 HG22 THR A 7 12.384 0.003 -5.555 1.00 1.00 H new ATOM 0 HG23 THR A 7 13.073 0.803 -4.123 1.00 1.00 H new ATOM 107 N GLY A 8 9.068 -0.897 -5.320 1.00 1.00 N ATOM 108 CA GLY A 8 8.177 -1.004 -6.453 1.00 1.00 C ATOM 109 C GLY A 8 6.762 -0.711 -5.972 1.00 1.00 C ATOM 110 O GLY A 8 6.373 -1.101 -4.870 1.00 1.00 O ATOM 0 H GLY A 8 9.217 -1.782 -4.835 1.00 1.00 H new ATOM 0 HA2 GLY A 8 8.467 -0.300 -7.233 1.00 1.00 H new ATOM 0 HA3 GLY A 8 8.232 -2.002 -6.888 1.00 1.00 H new ATOM 114 N THR A 9 5.968 -0.062 -6.813 1.00 1.00 N ATOM 115 CA THR A 9 4.648 0.422 -6.440 1.00 1.00 C ATOM 116 C THR A 9 3.674 -0.690 -6.026 1.00 1.00 C ATOM 117 O THR A 9 2.841 -0.452 -5.145 1.00 1.00 O ATOM 118 CB THR A 9 4.166 1.320 -7.589 1.00 1.00 C ATOM 119 OG1 THR A 9 5.011 2.459 -7.567 1.00 1.00 O ATOM 120 CG2 THR A 9 2.708 1.766 -7.472 1.00 1.00 C ATOM 0 H THR A 9 6.224 0.144 -7.779 1.00 1.00 H new ATOM 0 HA THR A 9 4.699 1.011 -5.524 1.00 1.00 H new ATOM 0 HB THR A 9 4.215 0.755 -8.520 1.00 1.00 H new ATOM 0 HG1 THR A 9 4.751 3.073 -8.285 1.00 1.00 H new ATOM 0 HG21 THR A 9 2.451 2.396 -8.324 1.00 1.00 H new ATOM 0 HG22 THR A 9 2.059 0.890 -7.460 1.00 1.00 H new ATOM 0 HG23 THR A 9 2.573 2.330 -6.549 1.00 1.00 H new ATOM 128 N LYS A 10 3.772 -1.900 -6.595 1.00 1.00 N ATOM 129 CA LYS A 10 2.907 -3.009 -6.194 1.00 1.00 C ATOM 130 C LYS A 10 3.504 -3.866 -5.076 1.00 1.00 C ATOM 131 O LYS A 10 2.920 -4.900 -4.759 1.00 1.00 O ATOM 132 CB LYS A 10 2.384 -3.808 -7.401 1.00 1.00 C ATOM 133 CG LYS A 10 3.393 -4.760 -8.059 1.00 1.00 C ATOM 134 CD LYS A 10 2.654 -5.774 -8.939 1.00 1.00 C ATOM 135 CE LYS A 10 3.626 -6.861 -9.398 1.00 1.00 C ATOM 136 NZ LYS A 10 2.921 -8.035 -9.936 1.00 1.00 N ATOM 0 H LYS A 10 4.440 -2.131 -7.331 1.00 1.00 H new ATOM 0 HA LYS A 10 2.020 -2.565 -5.741 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.519 -4.390 -7.081 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.033 -3.103 -8.155 1.00 1.00 H new ATOM 0 HG2 LYS A 10 4.103 -4.193 -8.660 1.00 1.00 H new ATOM 0 HG3 LYS A 10 3.968 -5.281 -7.293 1.00 1.00 H new ATOM 0 HD2 LYS A 10 1.830 -6.221 -8.383 1.00 1.00 H new ATOM 0 HD3 LYS A 10 2.220 -5.272 -9.804 1.00 1.00 H new ATOM 0 HE2 LYS A 10 4.291 -6.455 -10.161 1.00 1.00 H new ATOM 0 HE3 LYS A 10 4.252 -7.166 -8.559 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.615 -8.749 -10.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 2.306 -8.438 -9.200 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 2.343 -7.749 -10.752 1.00 1.00 H new ATOM 150 N ASP A 11 4.630 -3.478 -4.464 1.00 1.00 N ATOM 151 CA ASP A 11 5.317 -4.292 -3.452 1.00 1.00 C ATOM 152 C ASP A 11 4.332 -4.674 -2.355 1.00 1.00 C ATOM 153 O ASP A 11 4.129 -5.849 -2.060 1.00 1.00 O ATOM 154 CB ASP A 11 6.533 -3.562 -2.837 1.00 1.00 C ATOM 155 CG ASP A 11 7.790 -3.557 -3.711 1.00 1.00 C ATOM 156 OD1 ASP A 11 7.792 -4.172 -4.805 1.00 1.00 O ATOM 157 OD2 ASP A 11 8.804 -2.940 -3.303 1.00 1.00 O ATOM 0 H ASP A 11 5.092 -2.589 -4.657 1.00 1.00 H new ATOM 0 HA ASP A 11 5.695 -5.186 -3.947 1.00 1.00 H new ATOM 0 HB2 ASP A 11 6.251 -2.531 -2.626 1.00 1.00 H new ATOM 0 HB3 ASP A 11 6.774 -4.029 -1.882 1.00 1.00 H new ATOM 162 N CYS A 12 3.669 -3.674 -1.789 1.00 1.00 N ATOM 163 CA CYS A 12 2.718 -3.844 -0.709 1.00 1.00 C ATOM 164 C CYS A 12 1.298 -4.146 -1.193 1.00 1.00 C ATOM 165 O CYS A 12 0.423 -4.264 -0.343 1.00 1.00 O ATOM 166 CB CYS A 12 2.744 -2.572 0.133 1.00 1.00 C ATOM 167 SG CYS A 12 2.479 -1.078 -0.851 1.00 1.00 S ATOM 0 H CYS A 12 3.783 -2.702 -2.078 1.00 1.00 H new ATOM 0 HA CYS A 12 3.012 -4.714 -0.121 1.00 1.00 H new ATOM 0 HB2 CYS A 12 1.976 -2.636 0.904 1.00 1.00 H new ATOM 0 HB3 CYS A 12 3.704 -2.500 0.645 1.00 1.00 H new ATOM 172 N TYR A 13 1.013 -4.275 -2.499 1.00 1.00 N ATOM 173 CA TYR A 13 -0.367 -4.458 -2.983 1.00 1.00 C ATOM 174 C TYR A 13 -1.037 -5.707 -2.400 1.00 1.00 C ATOM 175 O TYR A 13 -2.264 -5.789 -2.437 1.00 1.00 O ATOM 176 CB TYR A 13 -0.449 -4.511 -4.517 1.00 1.00 C ATOM 177 CG TYR A 13 -0.791 -3.218 -5.236 1.00 1.00 C ATOM 178 CD1 TYR A 13 -0.225 -1.988 -4.847 1.00 1.00 C ATOM 179 CD2 TYR A 13 -1.671 -3.261 -6.337 1.00 1.00 C ATOM 180 CE1 TYR A 13 -0.496 -0.826 -5.588 1.00 1.00 C ATOM 181 CE2 TYR A 13 -1.974 -2.095 -7.060 1.00 1.00 C ATOM 182 CZ TYR A 13 -1.367 -0.876 -6.693 1.00 1.00 C ATOM 183 OH TYR A 13 -1.563 0.248 -7.429 1.00 1.00 O ATOM 0 H TYR A 13 1.717 -4.256 -3.237 1.00 1.00 H new ATOM 0 HA TYR A 13 -0.907 -3.579 -2.632 1.00 1.00 H new ATOM 0 HB2 TYR A 13 0.510 -4.865 -4.895 1.00 1.00 H new ATOM 0 HB3 TYR A 13 -1.195 -5.258 -4.790 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.417 -1.939 -3.980 1.00 1.00 H new ATOM 0 HD2 TYR A 13 -2.117 -4.201 -6.628 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.034 0.110 -5.309 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -2.665 -2.132 -7.889 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.189 0.056 -8.158 1.00 1.00 H new ATOM 193 N ILE A 14 -0.266 -6.669 -1.886 1.00 1.00 N ATOM 194 CA ILE A 14 -0.789 -7.819 -1.169 1.00 1.00 C ATOM 195 C ILE A 14 -1.310 -7.307 0.195 1.00 1.00 C ATOM 196 O ILE A 14 -2.528 -7.126 0.310 1.00 1.00 O ATOM 197 CB ILE A 14 0.257 -8.969 -1.156 1.00 1.00 C ATOM 198 CG1 ILE A 14 0.587 -9.481 -2.577 1.00 1.00 C ATOM 199 CG2 ILE A 14 -0.170 -10.133 -0.249 1.00 1.00 C ATOM 200 CD1 ILE A 14 -0.551 -10.203 -3.310 1.00 1.00 C ATOM 0 H ILE A 14 0.751 -6.664 -1.961 1.00 1.00 H new ATOM 0 HA ILE A 14 -1.644 -8.289 -1.656 1.00 1.00 H new ATOM 0 HB ILE A 14 1.167 -8.538 -0.740 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.903 -8.632 -3.184 1.00 1.00 H new ATOM 0 HG13 ILE A 14 1.438 -10.159 -2.509 1.00 1.00 H new ATOM 0 HG21 ILE A 14 0.592 -10.912 -0.273 1.00 1.00 H new ATOM 0 HG22 ILE A 14 -0.289 -9.773 0.773 1.00 1.00 H new ATOM 0 HG23 ILE A 14 -1.117 -10.541 -0.603 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -0.207 -10.518 -4.295 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -0.856 -11.078 -2.736 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -1.399 -9.527 -3.420 1.00 1.00 H new ATOM 212 N PRO A 15 -0.470 -7.002 1.210 1.00 1.00 N ATOM 213 CA PRO A 15 -0.957 -6.656 2.544 1.00 1.00 C ATOM 214 C PRO A 15 -1.754 -5.352 2.564 1.00 1.00 C ATOM 215 O PRO A 15 -2.797 -5.301 3.202 1.00 1.00 O ATOM 216 CB PRO A 15 0.274 -6.574 3.447 1.00 1.00 C ATOM 217 CG PRO A 15 1.389 -6.225 2.470 1.00 1.00 C ATOM 218 CD PRO A 15 0.987 -7.006 1.225 1.00 1.00 C ATOM 0 HA PRO A 15 -1.656 -7.415 2.894 1.00 1.00 H new ATOM 0 HB2 PRO A 15 0.159 -5.812 4.218 1.00 1.00 H new ATOM 0 HB3 PRO A 15 0.465 -7.518 3.957 1.00 1.00 H new ATOM 0 HG2 PRO A 15 1.441 -5.153 2.278 1.00 1.00 H new ATOM 0 HG3 PRO A 15 2.367 -6.530 2.843 1.00 1.00 H new ATOM 0 HD2 PRO A 15 1.389 -6.541 0.325 1.00 1.00 H new ATOM 0 HD3 PRO A 15 1.375 -8.024 1.259 1.00 1.00 H new ATOM 226 N CYS A 16 -1.317 -4.315 1.847 1.00 1.00 N ATOM 227 CA CYS A 16 -1.975 -3.014 1.808 1.00 1.00 C ATOM 228 C CYS A 16 -3.445 -3.194 1.429 1.00 1.00 C ATOM 229 O CYS A 16 -4.331 -2.689 2.118 1.00 1.00 O ATOM 230 CB CYS A 16 -1.211 -2.113 0.827 1.00 1.00 C ATOM 231 SG CYS A 16 -1.644 -0.366 0.685 1.00 1.00 S ATOM 0 H CYS A 16 -0.479 -4.360 1.267 1.00 1.00 H new ATOM 0 HA CYS A 16 -1.960 -2.533 2.786 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.155 -2.165 1.093 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -1.312 -2.554 -0.165 1.00 1.00 H new ATOM 236 N ARG A 17 -3.710 -3.969 0.369 1.00 1.00 N ATOM 237 CA ARG A 17 -5.067 -4.339 -0.010 1.00 1.00 C ATOM 238 C ARG A 17 -5.674 -5.292 1.008 1.00 1.00 C ATOM 239 O ARG A 17 -6.827 -5.100 1.367 1.00 1.00 O ATOM 240 CB ARG A 17 -5.076 -4.930 -1.417 1.00 1.00 C ATOM 241 CG ARG A 17 -6.490 -5.236 -1.930 1.00 1.00 C ATOM 242 CD ARG A 17 -6.932 -6.684 -1.664 1.00 1.00 C ATOM 243 NE ARG A 17 -6.923 -7.472 -2.905 1.00 1.00 N ATOM 244 CZ ARG A 17 -5.863 -7.966 -3.555 1.00 1.00 C ATOM 245 NH1 ARG A 17 -4.638 -7.931 -3.038 1.00 1.00 N ATOM 246 NH2 ARG A 17 -6.038 -8.503 -4.752 1.00 1.00 N ATOM 0 H ARG A 17 -2.989 -4.352 -0.243 1.00 1.00 H new ATOM 0 HA ARG A 17 -5.688 -3.443 -0.019 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -4.590 -4.234 -2.101 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -4.487 -5.847 -1.424 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -7.197 -4.555 -1.456 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -6.530 -5.042 -3.002 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -6.267 -7.143 -0.932 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -7.933 -6.689 -1.232 1.00 1.00 H new ATOM 0 HE ARG A 17 -7.834 -7.665 -3.320 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -4.484 -7.518 -2.118 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -3.852 -8.317 -3.561 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -6.970 -8.536 -5.165 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -5.241 -8.884 -5.261 1.00 1.00 H new ATOM 260 N TYR A 18 -4.941 -6.319 1.452 1.00 1.00 N ATOM 261 CA TYR A 18 -5.467 -7.295 2.404 1.00 1.00 C ATOM 262 C TYR A 18 -6.030 -6.610 3.659 1.00 1.00 C ATOM 263 O TYR A 18 -7.048 -7.053 4.183 1.00 1.00 O ATOM 264 CB TYR A 18 -4.373 -8.314 2.764 1.00 1.00 C ATOM 265 CG TYR A 18 -4.865 -9.566 3.460 1.00 1.00 C ATOM 266 CD1 TYR A 18 -5.192 -9.537 4.828 1.00 1.00 C ATOM 267 CD2 TYR A 18 -5.004 -10.764 2.735 1.00 1.00 C ATOM 268 CE1 TYR A 18 -5.687 -10.689 5.461 1.00 1.00 C ATOM 269 CE2 TYR A 18 -5.490 -11.923 3.364 1.00 1.00 C ATOM 270 CZ TYR A 18 -5.839 -11.889 4.734 1.00 1.00 C ATOM 271 OH TYR A 18 -6.295 -13.003 5.363 1.00 1.00 O ATOM 0 H TYR A 18 -3.978 -6.493 1.164 1.00 1.00 H new ATOM 0 HA TYR A 18 -6.296 -7.825 1.935 1.00 1.00 H new ATOM 0 HB2 TYR A 18 -3.854 -8.605 1.850 1.00 1.00 H new ATOM 0 HB3 TYR A 18 -3.640 -7.825 3.405 1.00 1.00 H new ATOM 0 HD1 TYR A 18 -5.062 -8.626 5.393 1.00 1.00 H new ATOM 0 HD2 TYR A 18 -4.736 -10.793 1.689 1.00 1.00 H new ATOM 0 HE1 TYR A 18 -5.952 -10.656 6.507 1.00 1.00 H new ATOM 0 HE2 TYR A 18 -5.597 -12.839 2.802 1.00 1.00 H new ATOM 0 HH TYR A 18 -6.344 -13.743 4.723 1.00 1.00 H new ATOM 281 N ILE A 19 -5.391 -5.545 4.150 1.00 1.00 N ATOM 282 CA ILE A 19 -5.879 -4.772 5.282 1.00 1.00 C ATOM 283 C ILE A 19 -7.020 -3.853 4.816 1.00 1.00 C ATOM 284 O ILE A 19 -8.133 -3.967 5.329 1.00 1.00 O ATOM 285 CB ILE A 19 -4.704 -4.035 5.990 1.00 1.00 C ATOM 286 CG1 ILE A 19 -3.879 -4.991 6.892 1.00 1.00 C ATOM 287 CG2 ILE A 19 -5.207 -2.900 6.903 1.00 1.00 C ATOM 288 CD1 ILE A 19 -2.863 -5.886 6.177 1.00 1.00 C ATOM 0 H ILE A 19 -4.513 -5.196 3.766 1.00 1.00 H new ATOM 0 HA ILE A 19 -6.302 -5.428 6.043 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.088 -3.639 5.183 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.347 -4.391 7.631 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -4.573 -5.629 7.439 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.356 -2.411 7.378 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.758 -2.172 6.308 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.863 -3.313 7.670 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -2.348 -6.509 6.909 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -3.380 -6.522 5.459 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -2.136 -5.265 5.654 1.00 1.00 H new ATOM 300 N THR A 20 -6.790 -2.972 3.836 1.00 1.00 N ATOM 301 CA THR A 20 -7.774 -1.958 3.452 1.00 1.00 C ATOM 302 C THR A 20 -9.000 -2.473 2.673 1.00 1.00 C ATOM 303 O THR A 20 -9.895 -1.681 2.364 1.00 1.00 O ATOM 304 CB THR A 20 -7.034 -0.780 2.793 1.00 1.00 C ATOM 305 OG1 THR A 20 -7.635 0.460 3.109 1.00 1.00 O ATOM 306 CG2 THR A 20 -6.879 -0.882 1.276 1.00 1.00 C ATOM 0 H THR A 20 -5.927 -2.942 3.293 1.00 1.00 H new ATOM 0 HA THR A 20 -8.258 -1.604 4.362 1.00 1.00 H new ATOM 0 HB THR A 20 -6.032 -0.836 3.218 1.00 1.00 H new ATOM 0 HG1 THR A 20 -6.974 1.177 3.015 1.00 1.00 H new ATOM 0 HG21 THR A 20 -6.346 -0.007 0.905 1.00 1.00 H new ATOM 0 HG22 THR A 20 -6.317 -1.782 1.027 1.00 1.00 H new ATOM 0 HG23 THR A 20 -7.864 -0.930 0.812 1.00 1.00 H new ATOM 314 N GLY A 21 -9.073 -3.768 2.363 1.00 1.00 N ATOM 315 CA GLY A 21 -10.186 -4.396 1.675 1.00 1.00 C ATOM 316 C GLY A 21 -10.127 -4.092 0.186 1.00 1.00 C ATOM 317 O GLY A 21 -9.599 -4.888 -0.595 1.00 1.00 O ATOM 0 H GLY A 21 -8.329 -4.426 2.595 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -10.159 -5.474 1.834 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -11.128 -4.036 2.089 1.00 1.00 H new ATOM 321 N CYS A 22 -10.668 -2.945 -0.223 1.00 1.00 N ATOM 322 CA CYS A 22 -10.709 -2.562 -1.625 1.00 1.00 C ATOM 323 C CYS A 22 -9.289 -2.312 -2.155 1.00 1.00 C ATOM 324 O CYS A 22 -8.415 -1.819 -1.445 1.00 1.00 O ATOM 325 CB CYS A 22 -11.611 -1.340 -1.811 1.00 1.00 C ATOM 326 SG CYS A 22 -13.369 -1.630 -1.483 1.00 1.00 S ATOM 0 H CYS A 22 -11.087 -2.262 0.408 1.00 1.00 H new ATOM 0 HA CYS A 22 -11.134 -3.379 -2.208 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -11.260 -0.545 -1.153 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -11.502 -0.979 -2.834 1.00 1.00 H new ATOM 0 HG CYS A 22 -14.033 -0.528 -1.670 1.00 1.00 H new ATOM 331 N PHE A 23 -9.070 -2.606 -3.435 1.00 1.00 N ATOM 332 CA PHE A 23 -7.811 -2.546 -4.186 1.00 1.00 C ATOM 333 C PHE A 23 -7.244 -1.122 -4.386 1.00 1.00 C ATOM 334 O PHE A 23 -6.373 -0.901 -5.235 1.00 1.00 O ATOM 335 CB PHE A 23 -8.028 -3.297 -5.518 1.00 1.00 C ATOM 336 CG PHE A 23 -9.183 -2.762 -6.351 1.00 1.00 C ATOM 337 CD1 PHE A 23 -10.497 -3.235 -6.148 1.00 1.00 C ATOM 338 CD2 PHE A 23 -8.960 -1.721 -7.268 1.00 1.00 C ATOM 339 CE1 PHE A 23 -11.579 -2.614 -6.799 1.00 1.00 C ATOM 340 CE2 PHE A 23 -10.040 -1.104 -7.922 1.00 1.00 C ATOM 341 CZ PHE A 23 -11.352 -1.536 -7.672 1.00 1.00 C ATOM 0 H PHE A 23 -9.837 -2.921 -4.029 1.00 1.00 H new ATOM 0 HA PHE A 23 -7.034 -3.031 -3.595 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -7.113 -3.242 -6.107 1.00 1.00 H new ATOM 0 HB3 PHE A 23 -8.206 -4.351 -5.304 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -10.672 -4.075 -5.492 1.00 1.00 H new ATOM 0 HD2 PHE A 23 -7.951 -1.393 -7.472 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -12.585 -2.966 -6.628 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -9.861 -0.297 -8.617 1.00 1.00 H new ATOM 0 HZ PHE A 23 -12.185 -1.041 -8.149 1.00 1.00 H new ATOM 351 N ASN A 24 -7.712 -0.137 -3.625 1.00 1.00 N ATOM 352 CA ASN A 24 -7.358 1.270 -3.729 1.00 1.00 C ATOM 353 C ASN A 24 -6.108 1.556 -2.887 1.00 1.00 C ATOM 354 O ASN A 24 -6.179 1.712 -1.660 1.00 1.00 O ATOM 355 CB ASN A 24 -8.577 2.086 -3.294 1.00 1.00 C ATOM 356 CG ASN A 24 -8.429 3.578 -3.515 1.00 1.00 C ATOM 357 OD1 ASN A 24 -7.443 4.056 -4.073 1.00 1.00 O ATOM 358 ND2 ASN A 24 -9.405 4.329 -3.038 1.00 1.00 N ATOM 0 H ASN A 24 -8.385 -0.312 -2.879 1.00 1.00 H new ATOM 0 HA ASN A 24 -7.103 1.550 -4.751 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -9.452 1.733 -3.840 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.766 1.902 -2.236 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.357 5.344 -3.126 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -10.207 3.894 -2.581 1.00 1.00 H new ATOM 365 N SER A 25 -4.934 1.561 -3.518 1.00 1.00 N ATOM 366 CA SER A 25 -3.644 1.714 -2.847 1.00 1.00 C ATOM 367 C SER A 25 -2.698 2.544 -3.716 1.00 1.00 C ATOM 368 O SER A 25 -2.866 2.558 -4.938 1.00 1.00 O ATOM 369 CB SER A 25 -3.036 0.329 -2.589 1.00 1.00 C ATOM 370 OG SER A 25 -3.986 -0.568 -2.026 1.00 1.00 O ATOM 0 H SER A 25 -4.852 1.457 -4.529 1.00 1.00 H new ATOM 0 HA SER A 25 -3.791 2.228 -1.897 1.00 1.00 H new ATOM 0 HB2 SER A 25 -2.658 -0.082 -3.525 1.00 1.00 H new ATOM 0 HB3 SER A 25 -2.184 0.426 -1.916 1.00 1.00 H new ATOM 0 HG SER A 25 -3.684 -0.849 -1.137 1.00 1.00 H new ATOM 376 N ARG A 26 -1.693 3.207 -3.130 1.00 1.00 N ATOM 377 CA ARG A 26 -0.666 3.932 -3.896 1.00 1.00 C ATOM 378 C ARG A 26 0.622 4.038 -3.090 1.00 1.00 C ATOM 379 O ARG A 26 0.549 4.106 -1.869 1.00 1.00 O ATOM 380 CB ARG A 26 -1.227 5.327 -4.234 1.00 1.00 C ATOM 381 CG ARG A 26 -0.287 6.226 -5.053 1.00 1.00 C ATOM 382 CD ARG A 26 -1.011 7.473 -5.579 1.00 1.00 C ATOM 383 NE ARG A 26 -1.559 8.301 -4.491 1.00 1.00 N ATOM 384 CZ ARG A 26 -0.969 9.354 -3.911 1.00 1.00 C ATOM 385 NH1 ARG A 26 0.256 9.738 -4.261 1.00 1.00 N ATOM 386 NH2 ARG A 26 -1.608 10.018 -2.958 1.00 1.00 N ATOM 0 H ARG A 26 -1.567 3.257 -2.119 1.00 1.00 H new ATOM 0 HA ARG A 26 -0.427 3.398 -4.816 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -2.159 5.203 -4.786 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -1.474 5.838 -3.303 1.00 1.00 H new ATOM 0 HG2 ARG A 26 0.557 6.529 -4.434 1.00 1.00 H new ATOM 0 HG3 ARG A 26 0.119 5.660 -5.891 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -0.318 8.069 -6.173 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -1.820 7.168 -6.243 1.00 1.00 H new ATOM 0 HE ARG A 26 -2.483 8.046 -4.143 1.00 1.00 H new ATOM 0 HH11 ARG A 26 0.764 9.227 -4.984 1.00 1.00 H new ATOM 0 HH12 ARG A 26 0.687 10.543 -3.807 1.00 1.00 H new ATOM 0 HH21 ARG A 26 -2.542 9.726 -2.671 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -1.165 10.821 -2.511 1.00 1.00 H new ATOM 400 N CYS A 27 1.786 4.103 -3.743 1.00 1.00 N ATOM 401 CA CYS A 27 3.064 4.360 -3.086 1.00 1.00 C ATOM 402 C CYS A 27 3.408 5.832 -3.277 1.00 1.00 C ATOM 403 O CYS A 27 3.358 6.333 -4.407 1.00 1.00 O ATOM 404 CB CYS A 27 4.169 3.459 -3.648 1.00 1.00 C ATOM 405 SG CYS A 27 4.198 1.832 -2.861 1.00 1.00 S ATOM 0 H CYS A 27 1.865 3.977 -4.752 1.00 1.00 H new ATOM 0 HA CYS A 27 2.984 4.132 -2.023 1.00 1.00 H new ATOM 0 HB2 CYS A 27 4.024 3.338 -4.722 1.00 1.00 H new ATOM 0 HB3 CYS A 27 5.135 3.944 -3.509 1.00 1.00 H new ATOM 410 N ILE A 28 3.713 6.533 -2.189 1.00 1.00 N ATOM 411 CA ILE A 28 4.205 7.904 -2.195 1.00 1.00 C ATOM 412 C ILE A 28 5.270 8.019 -1.101 1.00 1.00 C ATOM 413 O ILE A 28 5.148 7.386 -0.051 1.00 1.00 O ATOM 414 CB ILE A 28 3.022 8.896 -2.075 1.00 1.00 C ATOM 415 CG1 ILE A 28 3.440 10.378 -2.027 1.00 1.00 C ATOM 416 CG2 ILE A 28 2.104 8.596 -0.879 1.00 1.00 C ATOM 417 CD1 ILE A 28 4.200 10.837 -3.273 1.00 1.00 C ATOM 0 H ILE A 28 3.621 6.148 -1.249 1.00 1.00 H new ATOM 0 HA ILE A 28 4.685 8.171 -3.136 1.00 1.00 H new ATOM 0 HB ILE A 28 2.468 8.736 -3.000 1.00 1.00 H new ATOM 0 HG12 ILE A 28 2.550 10.995 -1.906 1.00 1.00 H new ATOM 0 HG13 ILE A 28 4.064 10.543 -1.149 1.00 1.00 H new ATOM 0 HG21 ILE A 28 1.295 9.326 -0.849 1.00 1.00 H new ATOM 0 HG22 ILE A 28 1.686 7.595 -0.983 1.00 1.00 H new ATOM 0 HG23 ILE A 28 2.679 8.655 0.045 1.00 1.00 H new ATOM 0 HD11 ILE A 28 4.463 11.890 -3.171 1.00 1.00 H new ATOM 0 HD12 ILE A 28 5.108 10.245 -3.384 1.00 1.00 H new ATOM 0 HD13 ILE A 28 3.571 10.704 -4.153 1.00 1.00 H new ATOM 429 N ASN A 29 6.319 8.809 -1.338 1.00 1.00 N ATOM 430 CA ASN A 29 7.484 8.976 -0.468 1.00 1.00 C ATOM 431 C ASN A 29 7.890 7.632 0.147 1.00 1.00 C ATOM 432 O ASN A 29 7.861 7.452 1.372 1.00 1.00 O ATOM 433 CB ASN A 29 7.241 10.089 0.570 1.00 1.00 C ATOM 434 CG ASN A 29 7.361 11.470 -0.054 1.00 1.00 C ATOM 435 OD1 ASN A 29 8.473 11.941 -0.296 1.00 1.00 O ATOM 436 ND2 ASN A 29 6.256 12.141 -0.325 1.00 1.00 N ATOM 0 H ASN A 29 6.382 9.377 -2.183 1.00 1.00 H new ATOM 0 HA ASN A 29 8.336 9.308 -1.062 1.00 1.00 H new ATOM 0 HB2 ASN A 29 6.249 9.971 1.006 1.00 1.00 H new ATOM 0 HB3 ASN A 29 7.960 9.993 1.383 1.00 1.00 H new ATOM 0 HD21 ASN A 29 6.313 13.069 -0.744 1.00 1.00 H new ATOM 0 HD22 ASN A 29 5.346 11.731 -0.116 1.00 1.00 H new ATOM 443 N LYS A 30 8.196 6.662 -0.728 1.00 1.00 N ATOM 444 CA LYS A 30 8.625 5.294 -0.414 1.00 1.00 C ATOM 445 C LYS A 30 7.618 4.502 0.445 1.00 1.00 C ATOM 446 O LYS A 30 7.892 3.352 0.790 1.00 1.00 O ATOM 447 CB LYS A 30 10.089 5.402 0.088 1.00 1.00 C ATOM 448 CG LYS A 30 10.795 4.164 0.673 1.00 1.00 C ATOM 449 CD LYS A 30 10.952 4.253 2.202 1.00 1.00 C ATOM 450 CE LYS A 30 9.616 4.408 2.939 1.00 1.00 C ATOM 451 NZ LYS A 30 9.789 4.544 4.390 1.00 1.00 N ATOM 0 H LYS A 30 8.147 6.823 -1.734 1.00 1.00 H new ATOM 0 HA LYS A 30 8.627 4.650 -1.293 1.00 1.00 H new ATOM 0 HB2 LYS A 30 10.693 5.755 -0.748 1.00 1.00 H new ATOM 0 HB3 LYS A 30 10.114 6.180 0.851 1.00 1.00 H new ATOM 0 HG2 LYS A 30 10.226 3.270 0.419 1.00 1.00 H new ATOM 0 HG3 LYS A 30 11.778 4.057 0.214 1.00 1.00 H new ATOM 0 HD2 LYS A 30 11.456 3.356 2.562 1.00 1.00 H new ATOM 0 HD3 LYS A 30 11.594 5.099 2.446 1.00 1.00 H new ATOM 0 HE2 LYS A 30 9.092 5.283 2.555 1.00 1.00 H new ATOM 0 HE3 LYS A 30 8.987 3.543 2.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 9.058 3.990 4.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 10.730 4.193 4.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 9.702 5.545 4.658 1.00 1.00 H new ATOM 465 N SER A 31 6.432 5.043 0.742 1.00 1.00 N ATOM 466 CA SER A 31 5.488 4.442 1.672 1.00 1.00 C ATOM 467 C SER A 31 4.137 4.207 0.996 1.00 1.00 C ATOM 468 O SER A 31 3.737 4.950 0.100 1.00 1.00 O ATOM 469 CB SER A 31 5.387 5.376 2.885 1.00 1.00 C ATOM 470 OG SER A 31 6.686 5.730 3.339 1.00 1.00 O ATOM 0 H SER A 31 6.103 5.919 0.336 1.00 1.00 H new ATOM 0 HA SER A 31 5.828 3.460 2.001 1.00 1.00 H new ATOM 0 HB2 SER A 31 4.830 6.274 2.617 1.00 1.00 H new ATOM 0 HB3 SER A 31 4.835 4.885 3.686 1.00 1.00 H new ATOM 0 HG SER A 31 7.082 6.382 2.723 1.00 1.00 H new ATOM 476 N CYS A 32 3.422 3.164 1.413 1.00 1.00 N ATOM 477 CA CYS A 32 2.131 2.815 0.845 1.00 1.00 C ATOM 478 C CYS A 32 1.017 3.526 1.592 1.00 1.00 C ATOM 479 O CYS A 32 1.008 3.587 2.823 1.00 1.00 O ATOM 480 CB CYS A 32 1.891 1.309 0.903 1.00 1.00 C ATOM 481 SG CYS A 32 3.296 0.358 0.305 1.00 1.00 S ATOM 0 H CYS A 32 3.727 2.537 2.158 1.00 1.00 H new ATOM 0 HA CYS A 32 2.134 3.130 -0.198 1.00 1.00 H new ATOM 0 HB2 CYS A 32 1.673 1.019 1.931 1.00 1.00 H new ATOM 0 HB3 CYS A 32 1.011 1.062 0.309 1.00 1.00 H new ATOM 486 N LYS A 33 0.057 4.021 0.828 1.00 1.00 N ATOM 487 CA LYS A 33 -1.185 4.610 1.268 1.00 1.00 C ATOM 488 C LYS A 33 -2.237 3.640 0.771 1.00 1.00 C ATOM 489 O LYS A 33 -2.397 3.462 -0.443 1.00 1.00 O ATOM 490 CB LYS A 33 -1.369 6.018 0.679 1.00 1.00 C ATOM 491 CG LYS A 33 -0.254 6.998 1.071 1.00 1.00 C ATOM 492 CD LYS A 33 -0.147 7.264 2.580 1.00 1.00 C ATOM 493 CE LYS A 33 1.254 6.894 3.083 1.00 1.00 C ATOM 494 NZ LYS A 33 1.347 7.022 4.546 1.00 1.00 N ATOM 0 H LYS A 33 0.137 4.019 -0.189 1.00 1.00 H new ATOM 0 HA LYS A 33 -1.234 4.751 2.348 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -1.412 5.945 -0.408 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.327 6.419 1.010 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.699 6.607 0.715 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.422 7.945 0.558 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.350 8.315 2.787 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -0.899 6.683 3.114 1.00 1.00 H new ATOM 0 HE2 LYS A 33 1.490 5.871 2.789 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.995 7.540 2.611 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 2.306 6.765 4.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 1.145 8.004 4.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 0.656 6.387 4.995 1.00 1.00 H new ATOM 508 N CYS A 34 -2.882 2.966 1.712 1.00 1.00 N ATOM 509 CA CYS A 34 -3.919 1.987 1.478 1.00 1.00 C ATOM 510 C CYS A 34 -5.200 2.767 1.705 1.00 1.00 C ATOM 511 O CYS A 34 -5.556 3.047 2.848 1.00 1.00 O ATOM 512 CB CYS A 34 -3.743 0.815 2.456 1.00 1.00 C ATOM 513 SG CYS A 34 -2.039 0.228 2.577 1.00 1.00 S ATOM 0 H CYS A 34 -2.683 3.097 2.704 1.00 1.00 H new ATOM 0 HA CYS A 34 -3.906 1.538 0.485 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -4.084 1.123 3.445 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -4.382 -0.010 2.141 1.00 1.00 H new ATOM 518 N TYR A 35 -5.814 3.247 0.625 1.00 1.00 N ATOM 519 CA TYR A 35 -7.002 4.077 0.742 1.00 1.00 C ATOM 520 C TYR A 35 -8.177 3.169 1.082 1.00 1.00 C ATOM 521 O TYR A 35 -8.924 3.446 2.022 1.00 1.00 O ATOM 522 CB TYR A 35 -7.265 4.811 -0.574 1.00 1.00 C ATOM 523 CG TYR A 35 -6.404 6.026 -0.846 1.00 1.00 C ATOM 524 CD1 TYR A 35 -5.071 5.885 -1.281 1.00 1.00 C ATOM 525 CD2 TYR A 35 -6.961 7.310 -0.707 1.00 1.00 C ATOM 526 CE1 TYR A 35 -4.303 7.023 -1.589 1.00 1.00 C ATOM 527 CE2 TYR A 35 -6.202 8.448 -1.020 1.00 1.00 C ATOM 528 CZ TYR A 35 -4.872 8.311 -1.476 1.00 1.00 C ATOM 529 OH TYR A 35 -4.163 9.402 -1.863 1.00 1.00 O ATOM 0 H TYR A 35 -5.508 3.075 -0.333 1.00 1.00 H new ATOM 0 HA TYR A 35 -6.865 4.825 1.523 1.00 1.00 H new ATOM 0 HB2 TYR A 35 -7.129 4.105 -1.393 1.00 1.00 H new ATOM 0 HB3 TYR A 35 -8.310 5.121 -0.590 1.00 1.00 H new ATOM 0 HD1 TYR A 35 -4.638 4.901 -1.378 1.00 1.00 H new ATOM 0 HD2 TYR A 35 -7.977 7.421 -0.358 1.00 1.00 H new ATOM 0 HE1 TYR A 35 -3.278 6.912 -1.912 1.00 1.00 H new ATOM 0 HE2 TYR A 35 -6.636 9.431 -0.912 1.00 1.00 H new ATOM 0 HH TYR A 35 -4.700 10.209 -1.720 1.00 1.00 H new