USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 371 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 18 CYS SG : rot 40:sc= 1.31 USER MOD Set 1.2: A 21 CYS SG : rot -34:sc= 0.749 USER MOD Set 1.3: A 44 CYS SG : rot -50:sc= 0.201 USER MOD Set 1.4: A 47 CYS SG : rot 139:sc= 0.829 USER MOD Set 2.1: A 3 CYS SG : rot 127:sc= -0.175 USER MOD Set 2.2: A 6 CYS SG : rot -94:sc= 0.425 USER MOD Set 2.3: A 26 HIS : no HE2:sc= -0.595 K(o=-0.055,f=-1.6) USER MOD Set 2.4: A 29 CYS SG : rot 171:sc= 0.29 USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.131 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0256) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.311) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 0.887 (180deg=0.105) USER MOD Single : A 22 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.043) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0138) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 1.67 K(o=1.7,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.341 K(o=0.34,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.089 11.679 -9.552 1.00 0.00 N ATOM 2 CA ALA A 1 4.865 10.222 -9.516 1.00 0.00 C ATOM 3 C ALA A 1 4.545 9.764 -8.090 1.00 0.00 C ATOM 4 O ALA A 1 4.504 10.586 -7.177 1.00 0.00 O ATOM 5 CB ALA A 1 6.071 9.478 -10.100 1.00 0.00 C ATOM 0 H1 ALA A 1 4.396 12.121 -10.189 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.979 12.071 -8.595 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.050 11.874 -9.897 1.00 0.00 H new ATOM 0 HA ALA A 1 4.002 9.981 -10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.888 8.404 -10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.223 9.787 -11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.961 9.713 -9.516 1.00 0.00 H new ATOM 13 N ARG A 2 4.308 8.459 -7.909 1.00 0.00 N ATOM 14 CA ARG A 2 3.929 7.865 -6.635 1.00 0.00 C ATOM 15 C ARG A 2 4.543 6.464 -6.532 1.00 0.00 C ATOM 16 O ARG A 2 4.609 5.723 -7.513 1.00 0.00 O ATOM 17 CB ARG A 2 2.396 7.877 -6.507 1.00 0.00 C ATOM 18 CG ARG A 2 1.838 7.140 -5.284 1.00 0.00 C ATOM 19 CD ARG A 2 2.277 7.744 -3.943 1.00 0.00 C ATOM 20 NE ARG A 2 1.777 9.105 -3.733 1.00 0.00 N ATOM 21 CZ ARG A 2 0.557 9.443 -3.285 1.00 0.00 C ATOM 22 NH1 ARG A 2 -0.391 8.517 -3.079 1.00 0.00 N ATOM 23 NH2 ARG A 2 0.296 10.732 -3.037 1.00 0.00 N ATOM 0 H ARG A 2 4.378 7.778 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 2 4.318 8.442 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.058 8.913 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.969 7.432 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.749 7.144 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.155 6.098 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.926 7.106 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.366 7.752 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 2 2.417 9.869 -3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.192 7.534 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.311 8.796 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.018 11.437 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.624 11.010 -2.696 1.00 0.00 H new ATOM 37 N CYS A 3 4.978 6.109 -5.319 1.00 0.00 N ATOM 38 CA CYS A 3 5.780 4.939 -4.998 1.00 0.00 C ATOM 39 C CYS A 3 4.984 3.645 -5.170 1.00 0.00 C ATOM 40 O CYS A 3 3.765 3.637 -5.028 1.00 0.00 O ATOM 41 CB CYS A 3 6.220 5.108 -3.543 1.00 0.00 C ATOM 42 SG CYS A 3 6.976 3.692 -2.715 1.00 0.00 S ATOM 0 H CYS A 3 4.764 6.667 -4.492 1.00 0.00 H new ATOM 0 HA CYS A 3 6.634 4.864 -5.671 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.928 5.936 -3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.347 5.407 -2.963 1.00 0.00 H new ATOM 0 HG CYS A 3 8.118 4.047 -2.204 1.00 0.00 H new ATOM 47 N LYS A 4 5.689 2.553 -5.482 1.00 0.00 N ATOM 48 CA LYS A 4 5.144 1.206 -5.560 1.00 0.00 C ATOM 49 C LYS A 4 4.693 0.705 -4.187 1.00 0.00 C ATOM 50 O LYS A 4 3.531 0.343 -4.015 1.00 0.00 O ATOM 51 CB LYS A 4 6.215 0.284 -6.160 1.00 0.00 C ATOM 52 CG LYS A 4 5.735 -1.167 -6.297 1.00 0.00 C ATOM 53 CD LYS A 4 6.818 -2.076 -6.895 1.00 0.00 C ATOM 54 CE LYS A 4 8.132 -2.096 -6.101 1.00 0.00 C ATOM 55 NZ LYS A 4 7.921 -2.392 -4.672 1.00 0.00 N ATOM 0 H LYS A 4 6.686 2.590 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 4 4.260 1.209 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.506 0.661 -7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.105 0.310 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.443 -1.546 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.847 -1.197 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.429 -3.092 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.027 -1.751 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.801 -2.843 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.628 -1.130 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.841 -2.512 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.405 -1.606 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.368 -3.267 -4.577 1.00 0.00 H new ATOM 69 N VAL A 5 5.635 0.662 -3.237 1.00 0.00 N ATOM 70 CA VAL A 5 5.506 0.024 -1.929 1.00 0.00 C ATOM 71 C VAL A 5 4.233 0.476 -1.210 1.00 0.00 C ATOM 72 O VAL A 5 3.316 -0.321 -1.023 1.00 0.00 O ATOM 73 CB VAL A 5 6.772 0.286 -1.089 1.00 0.00 C ATOM 74 CG1 VAL A 5 6.666 -0.300 0.325 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.011 -0.316 -1.762 1.00 0.00 C ATOM 0 H VAL A 5 6.550 1.093 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 5 5.413 -1.053 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 5 6.866 1.370 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.582 -0.089 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.819 0.150 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.521 -1.378 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.890 -0.117 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.880 -1.393 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.145 0.133 -2.746 1.00 0.00 H new ATOM 85 N CYS A 6 4.188 1.748 -0.800 1.00 0.00 N ATOM 86 CA CYS A 6 3.055 2.309 -0.079 1.00 0.00 C ATOM 87 C CYS A 6 1.939 2.695 -1.053 1.00 0.00 C ATOM 88 O CYS A 6 0.794 2.287 -0.869 1.00 0.00 O ATOM 89 CB CYS A 6 3.498 3.482 0.808 1.00 0.00 C ATOM 90 SG CYS A 6 4.541 4.763 0.055 1.00 0.00 S ATOM 0 H CYS A 6 4.942 2.415 -0.963 1.00 0.00 H new ATOM 0 HA CYS A 6 2.648 1.550 0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.602 3.965 1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.036 3.072 1.663 1.00 0.00 H new ATOM 0 HG CYS A 6 5.792 4.493 0.282 1.00 0.00 H new ATOM 95 N ARG A 7 2.270 3.516 -2.060 1.00 0.00 N ATOM 96 CA ARG A 7 1.342 4.090 -3.031 1.00 0.00 C ATOM 97 C ARG A 7 0.280 5.023 -2.421 1.00 0.00 C ATOM 98 O ARG A 7 -0.519 5.602 -3.158 1.00 0.00 O ATOM 99 CB ARG A 7 0.758 2.980 -3.924 1.00 0.00 C ATOM 100 CG ARG A 7 0.029 3.519 -5.167 1.00 0.00 C ATOM 101 CD ARG A 7 0.394 2.737 -6.433 1.00 0.00 C ATOM 102 NE ARG A 7 1.759 3.065 -6.870 1.00 0.00 N ATOM 103 CZ ARG A 7 2.311 2.716 -8.043 1.00 0.00 C ATOM 104 NH1 ARG A 7 1.660 1.905 -8.888 1.00 0.00 N ATOM 105 NH2 ARG A 7 3.522 3.187 -8.370 1.00 0.00 N ATOM 0 H ARG A 7 3.234 3.807 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 7 1.916 4.763 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.563 2.318 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.064 2.378 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.048 3.466 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.279 4.571 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.315 1.667 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.314 2.971 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 7 2.337 3.605 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.737 1.547 -8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.088 1.645 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.018 3.806 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.948 2.926 -9.259 1.00 0.00 H new ATOM 119 N LYS A 8 0.289 5.222 -1.098 1.00 0.00 N ATOM 120 CA LYS A 8 -0.756 5.909 -0.354 1.00 0.00 C ATOM 121 C LYS A 8 -0.078 6.737 0.737 1.00 0.00 C ATOM 122 O LYS A 8 -0.227 6.456 1.924 1.00 0.00 O ATOM 123 CB LYS A 8 -1.750 4.891 0.227 1.00 0.00 C ATOM 124 CG LYS A 8 -2.502 4.114 -0.863 1.00 0.00 C ATOM 125 CD LYS A 8 -3.482 3.085 -0.285 1.00 0.00 C ATOM 126 CE LYS A 8 -4.663 3.734 0.446 1.00 0.00 C ATOM 127 NZ LYS A 8 -5.651 2.725 0.872 1.00 0.00 N ATOM 0 H LYS A 8 1.051 4.896 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.331 6.571 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.214 4.188 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.469 5.411 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.048 4.816 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.782 3.605 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.861 2.458 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.949 2.430 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.299 4.279 1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.143 4.462 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.438 3.195 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.015 2.222 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.198 2.045 1.516 1.00 0.00 H new ATOM 141 N LYS A 9 0.694 7.746 0.316 1.00 0.00 N ATOM 142 CA LYS A 9 1.582 8.506 1.181 1.00 0.00 C ATOM 143 C LYS A 9 1.738 9.907 0.591 1.00 0.00 C ATOM 144 O LYS A 9 2.112 10.047 -0.573 1.00 0.00 O ATOM 145 CB LYS A 9 2.923 7.767 1.291 1.00 0.00 C ATOM 146 CG LYS A 9 3.900 8.433 2.270 1.00 0.00 C ATOM 147 CD LYS A 9 5.122 7.523 2.454 1.00 0.00 C ATOM 148 CE LYS A 9 6.186 8.112 3.387 1.00 0.00 C ATOM 149 NZ LYS A 9 5.694 8.306 4.762 1.00 0.00 N ATOM 0 H LYS A 9 0.714 8.057 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 9 1.178 8.603 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.740 6.741 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.385 7.716 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.209 9.406 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.412 8.606 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.794 6.562 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.571 7.329 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.053 7.451 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.523 9.069 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.487 8.223 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.267 9.250 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.980 7.582 4.981 1.00 0.00 H new ATOM 163 N GLY A 10 1.416 10.932 1.387 1.00 0.00 N ATOM 164 CA GLY A 10 1.373 12.319 0.947 1.00 0.00 C ATOM 165 C GLY A 10 2.760 12.844 0.575 1.00 0.00 C ATOM 166 O GLY A 10 2.874 13.706 -0.294 1.00 0.00 O ATOM 0 H GLY A 10 1.175 10.813 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.709 12.406 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.951 12.938 1.739 1.00 0.00 H new ATOM 170 N GLU A 11 3.802 12.319 1.233 1.00 0.00 N ATOM 171 CA GLU A 11 5.170 12.796 1.147 1.00 0.00 C ATOM 172 C GLU A 11 5.818 12.314 -0.153 1.00 0.00 C ATOM 173 O GLU A 11 6.739 11.499 -0.128 1.00 0.00 O ATOM 174 CB GLU A 11 5.974 12.323 2.370 1.00 0.00 C ATOM 175 CG GLU A 11 5.342 12.672 3.725 1.00 0.00 C ATOM 176 CD GLU A 11 4.459 11.555 4.284 1.00 0.00 C ATOM 177 OE1 GLU A 11 3.338 11.372 3.762 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.929 10.875 5.223 1.00 0.00 O ATOM 0 H GLU A 11 3.701 11.521 1.861 1.00 0.00 H new ATOM 0 HA GLU A 11 5.166 13.886 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.099 11.242 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.971 12.762 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.133 12.894 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.746 13.578 3.618 1.00 0.00 H new ATOM 185 N ASP A 12 5.363 12.843 -1.295 1.00 0.00 N ATOM 186 CA ASP A 12 6.015 12.648 -2.580 1.00 0.00 C ATOM 187 C ASP A 12 7.179 13.631 -2.719 1.00 0.00 C ATOM 188 O ASP A 12 7.210 14.458 -3.629 1.00 0.00 O ATOM 189 CB ASP A 12 4.990 12.748 -3.717 1.00 0.00 C ATOM 190 CG ASP A 12 3.944 11.638 -3.633 1.00 0.00 C ATOM 191 OD1 ASP A 12 4.352 10.456 -3.663 1.00 0.00 O ATOM 192 OD2 ASP A 12 2.744 11.980 -3.549 1.00 0.00 O ATOM 0 H ASP A 12 4.525 13.422 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 12 6.439 11.646 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.495 13.718 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.504 12.692 -4.677 1.00 0.00 H new ATOM 197 N ASP A 13 8.138 13.518 -1.793 1.00 0.00 N ATOM 198 CA ASP A 13 9.232 14.456 -1.600 1.00 0.00 C ATOM 199 C ASP A 13 10.403 14.037 -2.486 1.00 0.00 C ATOM 200 O ASP A 13 10.785 14.756 -3.407 1.00 0.00 O ATOM 201 CB ASP A 13 9.599 14.480 -0.108 1.00 0.00 C ATOM 202 CG ASP A 13 10.870 15.270 0.197 1.00 0.00 C ATOM 203 OD1 ASP A 13 11.093 16.305 -0.467 1.00 0.00 O ATOM 204 OD2 ASP A 13 11.623 14.815 1.086 1.00 0.00 O ATOM 0 H ASP A 13 8.168 12.738 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 13 8.948 15.468 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.770 14.910 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.725 13.456 0.243 1.00 0.00 H new ATOM 209 N LYS A 14 10.965 12.863 -2.185 1.00 0.00 N ATOM 210 CA LYS A 14 12.188 12.342 -2.776 1.00 0.00 C ATOM 211 C LYS A 14 11.919 10.910 -3.226 1.00 0.00 C ATOM 212 O LYS A 14 12.296 9.953 -2.548 1.00 0.00 O ATOM 213 CB LYS A 14 13.332 12.425 -1.758 1.00 0.00 C ATOM 214 CG LYS A 14 13.781 13.877 -1.560 1.00 0.00 C ATOM 215 CD LYS A 14 14.716 13.993 -0.352 1.00 0.00 C ATOM 216 CE LYS A 14 15.092 15.450 -0.055 1.00 0.00 C ATOM 217 NZ LYS A 14 13.917 16.262 0.312 1.00 0.00 N ATOM 0 H LYS A 14 10.560 12.229 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 14 12.491 12.931 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.008 12.007 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.174 11.823 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.290 14.231 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.910 14.516 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.234 13.557 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.622 13.415 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.819 15.478 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.574 15.885 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.216 17.050 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.473 16.639 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.232 15.670 0.824 1.00 0.00 H new ATOM 231 N LEU A 15 11.245 10.776 -4.374 1.00 0.00 N ATOM 232 CA LEU A 15 11.099 9.496 -5.047 1.00 0.00 C ATOM 233 C LEU A 15 12.402 9.114 -5.746 1.00 0.00 C ATOM 234 O LEU A 15 13.277 9.948 -5.978 1.00 0.00 O ATOM 235 CB LEU A 15 9.937 9.513 -6.053 1.00 0.00 C ATOM 236 CG LEU A 15 8.561 9.367 -5.388 1.00 0.00 C ATOM 237 CD1 LEU A 15 8.124 10.639 -4.659 1.00 0.00 C ATOM 238 CD2 LEU A 15 7.522 9.041 -6.463 1.00 0.00 C ATOM 0 H LEU A 15 10.790 11.552 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 15 10.868 8.747 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.965 10.447 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.074 8.704 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 15 8.638 8.568 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.145 10.481 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.848 10.879 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.067 11.464 -5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.541 8.935 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.492 9.847 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.792 8.109 -6.959 1.00 0.00 H new ATOM 250 N ILE A 16 12.504 7.829 -6.087 1.00 0.00 N ATOM 251 CA ILE A 16 13.698 7.189 -6.598 1.00 0.00 C ATOM 252 C ILE A 16 13.252 5.921 -7.330 1.00 0.00 C ATOM 253 O ILE A 16 12.769 4.975 -6.712 1.00 0.00 O ATOM 254 CB ILE A 16 14.717 6.951 -5.463 1.00 0.00 C ATOM 255 CG1 ILE A 16 15.845 6.021 -5.941 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.083 6.437 -4.162 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.059 6.054 -5.007 1.00 0.00 C ATOM 0 H ILE A 16 11.717 7.185 -6.008 1.00 0.00 H new ATOM 0 HA ILE A 16 14.230 7.820 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 16 15.138 7.925 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.468 5.000 -6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.153 6.313 -6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 16 14.860 6.293 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.357 7.165 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.582 5.488 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.828 5.382 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.455 7.069 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 16 16.759 5.735 -4.009 1.00 0.00 H new ATOM 269 N LEU A 17 13.373 5.934 -8.661 1.00 0.00 N ATOM 270 CA LEU A 17 13.176 4.768 -9.506 1.00 0.00 C ATOM 271 C LEU A 17 14.374 3.828 -9.377 1.00 0.00 C ATOM 272 O LEU A 17 15.493 4.274 -9.124 1.00 0.00 O ATOM 273 CB LEU A 17 13.017 5.230 -10.961 1.00 0.00 C ATOM 274 CG LEU A 17 11.708 5.997 -11.214 1.00 0.00 C ATOM 275 CD1 LEU A 17 11.838 6.845 -12.484 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.528 5.033 -11.382 1.00 0.00 C ATOM 0 H LEU A 17 13.616 6.775 -9.185 1.00 0.00 H new ATOM 0 HA LEU A 17 12.279 4.231 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.861 5.867 -11.227 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.054 4.361 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 17 11.523 6.637 -10.351 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.908 7.386 -12.657 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.654 7.557 -12.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.045 6.196 -13.335 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.616 5.602 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.715 4.373 -12.229 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.413 4.437 -10.477 1.00 0.00 H new ATOM 288 N CYS A 18 14.141 2.525 -9.573 1.00 0.00 N ATOM 289 CA CYS A 18 15.220 1.558 -9.700 1.00 0.00 C ATOM 290 C CYS A 18 15.957 1.775 -11.022 1.00 0.00 C ATOM 291 O CYS A 18 15.328 2.052 -12.042 1.00 0.00 O ATOM 292 CB CYS A 18 14.672 0.135 -9.592 1.00 0.00 C ATOM 293 SG CYS A 18 15.957 -1.134 -9.733 1.00 0.00 S ATOM 0 H CYS A 18 13.207 2.122 -9.646 1.00 0.00 H new ATOM 0 HA CYS A 18 15.932 1.701 -8.887 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.160 0.021 -8.636 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.928 -0.022 -10.373 1.00 0.00 H new ATOM 0 HG CYS A 18 17.020 -0.749 -9.091 1.00 0.00 H new ATOM 298 N ASP A 19 17.289 1.656 -11.002 1.00 0.00 N ATOM 299 CA ASP A 19 18.125 1.785 -12.189 1.00 0.00 C ATOM 300 C ASP A 19 17.712 0.783 -13.272 1.00 0.00 C ATOM 301 O ASP A 19 17.541 1.148 -14.434 1.00 0.00 O ATOM 302 CB ASP A 19 19.610 1.654 -11.809 1.00 0.00 C ATOM 303 CG ASP A 19 20.032 0.273 -11.296 1.00 0.00 C ATOM 304 OD1 ASP A 19 19.202 -0.392 -10.639 1.00 0.00 O ATOM 305 OD2 ASP A 19 21.191 -0.102 -11.573 1.00 0.00 O ATOM 0 H ASP A 19 17.817 1.466 -10.150 1.00 0.00 H new ATOM 0 HA ASP A 19 17.978 2.778 -12.614 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.215 1.900 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 19 19.839 2.394 -11.043 1.00 0.00 H new ATOM 310 N GLU A 20 17.517 -0.471 -12.861 1.00 0.00 N ATOM 311 CA GLU A 20 17.328 -1.615 -13.730 1.00 0.00 C ATOM 312 C GLU A 20 15.871 -1.706 -14.180 1.00 0.00 C ATOM 313 O GLU A 20 15.581 -1.539 -15.364 1.00 0.00 O ATOM 314 CB GLU A 20 17.782 -2.860 -12.957 1.00 0.00 C ATOM 315 CG GLU A 20 17.644 -4.165 -13.747 1.00 0.00 C ATOM 316 CD GLU A 20 18.027 -5.367 -12.885 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.008 -5.235 -12.120 1.00 0.00 O ATOM 318 OE2 GLU A 20 17.322 -6.393 -12.996 1.00 0.00 O ATOM 0 H GLU A 20 17.487 -0.719 -11.872 1.00 0.00 H new ATOM 0 HA GLU A 20 17.921 -1.523 -14.640 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.824 -2.733 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.199 -2.939 -12.039 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.618 -4.276 -14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.281 -4.129 -14.631 1.00 0.00 H new ATOM 325 N CYS A 21 14.959 -1.976 -13.237 1.00 0.00 N ATOM 326 CA CYS A 21 13.573 -2.320 -13.535 1.00 0.00 C ATOM 327 C CYS A 21 12.611 -1.130 -13.444 1.00 0.00 C ATOM 328 O CYS A 21 11.430 -1.297 -13.746 1.00 0.00 O ATOM 329 CB CYS A 21 13.124 -3.494 -12.656 1.00 0.00 C ATOM 330 SG CYS A 21 13.203 -3.250 -10.862 1.00 0.00 S ATOM 0 H CYS A 21 15.170 -1.960 -12.239 1.00 0.00 H new ATOM 0 HA CYS A 21 13.536 -2.628 -14.580 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.096 -3.742 -12.920 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.736 -4.360 -12.908 1.00 0.00 H new ATOM 0 HG CYS A 21 14.215 -2.487 -10.572 1.00 0.00 H new ATOM 335 N ASN A 22 13.090 0.057 -13.042 1.00 0.00 N ATOM 336 CA ASN A 22 12.337 1.307 -13.118 1.00 0.00 C ATOM 337 C ASN A 22 11.006 1.207 -12.360 1.00 0.00 C ATOM 338 O ASN A 22 9.952 1.583 -12.870 1.00 0.00 O ATOM 339 CB ASN A 22 12.194 1.728 -14.589 1.00 0.00 C ATOM 340 CG ASN A 22 11.866 3.211 -14.748 1.00 0.00 C ATOM 341 OD1 ASN A 22 12.767 4.038 -14.864 1.00 0.00 O ATOM 342 ND2 ASN A 22 10.578 3.552 -14.796 1.00 0.00 N ATOM 0 H ASN A 22 14.025 0.172 -12.650 1.00 0.00 H new ATOM 0 HA ASN A 22 12.884 2.102 -12.612 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.121 1.506 -15.118 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.409 1.134 -15.058 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.313 4.528 -14.933 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.857 2.837 -14.696 1.00 0.00 H new ATOM 349 N LYS A 23 11.070 0.682 -11.131 1.00 0.00 N ATOM 350 CA LYS A 23 9.978 0.644 -10.177 1.00 0.00 C ATOM 351 C LYS A 23 10.192 1.752 -9.148 1.00 0.00 C ATOM 352 O LYS A 23 11.316 1.946 -8.686 1.00 0.00 O ATOM 353 CB LYS A 23 9.969 -0.731 -9.503 1.00 0.00 C ATOM 354 CG LYS A 23 9.616 -1.840 -10.502 1.00 0.00 C ATOM 355 CD LYS A 23 9.546 -3.201 -9.797 1.00 0.00 C ATOM 356 CE LYS A 23 9.342 -4.354 -10.788 1.00 0.00 C ATOM 357 NZ LYS A 23 8.066 -4.247 -11.519 1.00 0.00 N ATOM 0 H LYS A 23 11.923 0.257 -10.768 1.00 0.00 H new ATOM 0 HA LYS A 23 9.019 0.802 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.947 -0.930 -9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.248 -0.733 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.659 -1.620 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.363 -1.873 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.465 -3.365 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.728 -3.194 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.166 -4.367 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.371 -5.302 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.950 -5.074 -12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.279 -4.210 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.067 -3.381 -12.095 1.00 0.00 H new ATOM 371 N ALA A 24 9.124 2.484 -8.811 1.00 0.00 N ATOM 372 CA ALA A 24 9.201 3.693 -8.001 1.00 0.00 C ATOM 373 C ALA A 24 9.277 3.337 -6.518 1.00 0.00 C ATOM 374 O ALA A 24 8.554 2.459 -6.047 1.00 0.00 O ATOM 375 CB ALA A 24 7.992 4.588 -8.287 1.00 0.00 C ATOM 0 H ALA A 24 8.175 2.246 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 24 10.107 4.240 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.055 5.490 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.983 4.862 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.076 4.050 -8.044 1.00 0.00 H new ATOM 381 N PHE A 25 10.147 4.038 -5.789 1.00 0.00 N ATOM 382 CA PHE A 25 10.314 3.927 -4.350 1.00 0.00 C ATOM 383 C PHE A 25 10.511 5.317 -3.750 1.00 0.00 C ATOM 384 O PHE A 25 10.747 6.276 -4.479 1.00 0.00 O ATOM 385 CB PHE A 25 11.560 3.083 -4.055 1.00 0.00 C ATOM 386 CG PHE A 25 11.394 1.591 -4.247 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.716 0.999 -5.482 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.033 0.779 -3.157 1.00 0.00 C ATOM 389 CE1 PHE A 25 11.582 -0.388 -5.655 1.00 0.00 C ATOM 390 CE2 PHE A 25 10.975 -0.618 -3.310 1.00 0.00 C ATOM 391 CZ PHE A 25 11.229 -1.200 -4.564 1.00 0.00 C ATOM 0 H PHE A 25 10.776 4.724 -6.207 1.00 0.00 H new ATOM 0 HA PHE A 25 9.430 3.460 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.371 3.427 -4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.868 3.268 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.067 1.613 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.800 1.228 -2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.750 -0.830 -6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.735 -1.244 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.153 -2.270 -4.689 1.00 0.00 H new ATOM 401 N HIS A 26 10.384 5.415 -2.420 1.00 0.00 N ATOM 402 CA HIS A 26 10.779 6.583 -1.644 1.00 0.00 C ATOM 403 C HIS A 26 12.051 6.199 -0.889 1.00 0.00 C ATOM 404 O HIS A 26 12.273 5.019 -0.609 1.00 0.00 O ATOM 405 CB HIS A 26 9.724 6.964 -0.600 1.00 0.00 C ATOM 406 CG HIS A 26 8.415 7.502 -1.115 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.208 6.801 -1.115 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.188 8.799 -1.477 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.280 7.697 -1.488 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.837 8.898 -1.718 1.00 0.00 N ATOM 0 H HIS A 26 9.995 4.665 -1.848 1.00 0.00 H new ATOM 0 HA HIS A 26 10.913 7.428 -2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.513 6.083 0.006 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.159 7.711 0.064 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.062 5.819 -0.882 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.921 9.588 -1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.227 7.481 -1.590 1.00 0.00 H new ATOM 418 N LEU A 27 12.862 7.193 -0.517 1.00 0.00 N ATOM 419 CA LEU A 27 13.974 6.985 0.403 1.00 0.00 C ATOM 420 C LEU A 27 13.457 6.405 1.722 1.00 0.00 C ATOM 421 O LEU A 27 14.056 5.485 2.270 1.00 0.00 O ATOM 422 CB LEU A 27 14.702 8.307 0.665 1.00 0.00 C ATOM 423 CG LEU A 27 15.321 8.948 -0.585 1.00 0.00 C ATOM 424 CD1 LEU A 27 15.881 10.318 -0.196 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.453 8.097 -1.170 1.00 0.00 C ATOM 0 H LEU A 27 12.765 8.154 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 27 14.675 6.282 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.000 9.012 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.490 8.135 1.398 1.00 0.00 H new ATOM 0 HG LEU A 27 14.545 9.034 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.326 10.791 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.075 10.945 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.641 10.195 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.860 8.590 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.240 7.977 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.065 7.117 -1.449 1.00 0.00 H new ATOM 437 N PHE A 28 12.318 6.931 2.195 1.00 0.00 N ATOM 438 CA PHE A 28 11.532 6.412 3.307 1.00 0.00 C ATOM 439 C PHE A 28 11.382 4.888 3.246 1.00 0.00 C ATOM 440 O PHE A 28 11.653 4.199 4.226 1.00 0.00 O ATOM 441 CB PHE A 28 10.155 7.095 3.315 1.00 0.00 C ATOM 442 CG PHE A 28 10.181 8.614 3.190 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.087 9.374 3.957 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.356 9.264 2.252 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.215 10.757 3.737 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.489 10.645 2.028 1.00 0.00 C ATOM 447 CZ PHE A 28 10.425 11.391 2.763 1.00 0.00 C ATOM 0 H PHE A 28 11.906 7.771 1.788 1.00 0.00 H new ATOM 0 HA PHE A 28 12.060 6.637 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.562 6.689 2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.642 6.832 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.685 8.892 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.618 8.699 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.921 11.332 4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.871 11.133 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.537 12.449 2.580 1.00 0.00 H new ATOM 457 N CYS A 29 10.938 4.370 2.095 1.00 0.00 N ATOM 458 CA CYS A 29 10.577 2.969 1.925 1.00 0.00 C ATOM 459 C CYS A 29 11.832 2.099 1.805 1.00 0.00 C ATOM 460 O CYS A 29 11.849 0.976 2.303 1.00 0.00 O ATOM 461 CB CYS A 29 9.661 2.826 0.703 1.00 0.00 C ATOM 462 SG CYS A 29 8.155 3.833 0.794 1.00 0.00 S ATOM 0 H CYS A 29 10.820 4.925 1.247 1.00 0.00 H new ATOM 0 HA CYS A 29 10.033 2.621 2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.219 3.103 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.380 1.779 0.592 1.00 0.00 H new ATOM 0 HG CYS A 29 7.545 3.806 -0.354 1.00 0.00 H new ATOM 467 N LEU A 30 12.881 2.616 1.151 1.00 0.00 N ATOM 468 CA LEU A 30 14.127 1.896 0.929 1.00 0.00 C ATOM 469 C LEU A 30 14.992 1.882 2.187 1.00 0.00 C ATOM 470 O LEU A 30 15.227 0.826 2.769 1.00 0.00 O ATOM 471 CB LEU A 30 14.900 2.535 -0.229 1.00 0.00 C ATOM 472 CG LEU A 30 14.224 2.330 -1.586 1.00 0.00 C ATOM 473 CD1 LEU A 30 14.850 3.312 -2.581 1.00 0.00 C ATOM 474 CD2 LEU A 30 14.382 0.891 -2.089 1.00 0.00 C ATOM 0 H LEU A 30 12.881 3.558 0.759 1.00 0.00 H new ATOM 0 HA LEU A 30 13.881 0.865 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.007 3.603 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.905 2.115 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 30 13.154 2.514 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.384 3.186 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.692 4.333 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.919 3.117 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.888 0.787 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.441 0.657 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.929 0.204 -1.374 1.00 0.00 H new ATOM 486 N ARG A 31 15.515 3.056 2.548 1.00 0.00 N ATOM 487 CA ARG A 31 16.532 3.260 3.566 1.00 0.00 C ATOM 488 C ARG A 31 16.205 4.575 4.286 1.00 0.00 C ATOM 489 O ARG A 31 16.770 5.608 3.936 1.00 0.00 O ATOM 490 CB ARG A 31 17.924 3.341 2.908 1.00 0.00 C ATOM 491 CG ARG A 31 18.356 2.101 2.110 1.00 0.00 C ATOM 492 CD ARG A 31 18.568 0.852 2.974 1.00 0.00 C ATOM 493 NE ARG A 31 19.061 -0.271 2.162 1.00 0.00 N ATOM 494 CZ ARG A 31 18.331 -0.991 1.292 1.00 0.00 C ATOM 495 NH1 ARG A 31 17.008 -0.811 1.180 1.00 0.00 N ATOM 496 NH2 ARG A 31 18.940 -1.899 0.519 1.00 0.00 N ATOM 0 H ARG A 31 15.222 3.930 2.112 1.00 0.00 H new ATOM 0 HA ARG A 31 16.543 2.432 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.941 4.203 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.664 3.525 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 31 17.600 1.885 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 31 19.281 2.326 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 31 19.281 1.072 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.630 0.574 3.455 1.00 0.00 H new ATOM 0 HE ARG A 31 20.043 -0.526 2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.537 -0.118 1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.472 -1.367 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.948 -2.039 0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.396 -2.451 -0.144 1.00 0.00 H new ATOM 510 N PRO A 32 15.301 4.571 5.281 1.00 0.00 N ATOM 511 CA PRO A 32 14.764 5.791 5.874 1.00 0.00 C ATOM 512 C PRO A 32 15.846 6.662 6.525 1.00 0.00 C ATOM 513 O PRO A 32 15.706 7.882 6.558 1.00 0.00 O ATOM 514 CB PRO A 32 13.726 5.324 6.898 1.00 0.00 C ATOM 515 CG PRO A 32 14.241 3.949 7.318 1.00 0.00 C ATOM 516 CD PRO A 32 14.874 3.404 6.037 1.00 0.00 C ATOM 0 HA PRO A 32 14.323 6.430 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.662 6.006 7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.729 5.264 6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.968 4.022 8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.434 3.308 7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.719 2.754 6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.158 2.810 5.469 1.00 0.00 H new ATOM 524 N ALA A 33 16.926 6.042 7.020 1.00 0.00 N ATOM 525 CA ALA A 33 18.111 6.728 7.519 1.00 0.00 C ATOM 526 C ALA A 33 18.718 7.687 6.490 1.00 0.00 C ATOM 527 O ALA A 33 19.171 8.769 6.855 1.00 0.00 O ATOM 528 CB ALA A 33 19.146 5.690 7.961 1.00 0.00 C ATOM 0 H ALA A 33 16.995 5.026 7.083 1.00 0.00 H new ATOM 0 HA ALA A 33 17.808 7.340 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.035 6.199 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.724 5.069 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.418 5.063 7.112 1.00 0.00 H new ATOM 534 N LEU A 34 18.751 7.282 5.217 1.00 0.00 N ATOM 535 CA LEU A 34 19.218 8.121 4.123 1.00 0.00 C ATOM 536 C LEU A 34 18.122 9.124 3.761 1.00 0.00 C ATOM 537 O LEU A 34 17.059 8.732 3.285 1.00 0.00 O ATOM 538 CB LEU A 34 19.615 7.238 2.931 1.00 0.00 C ATOM 539 CG LEU A 34 20.058 8.028 1.687 1.00 0.00 C ATOM 540 CD1 LEU A 34 21.239 8.964 1.974 1.00 0.00 C ATOM 541 CD2 LEU A 34 20.452 7.040 0.583 1.00 0.00 C ATOM 0 H LEU A 34 18.451 6.354 4.920 1.00 0.00 H new ATOM 0 HA LEU A 34 20.103 8.684 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.426 6.576 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.769 6.604 2.664 1.00 0.00 H new ATOM 0 HG LEU A 34 19.219 8.650 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.511 9.497 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.955 9.682 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 34 22.091 8.379 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.767 7.591 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.273 6.413 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.596 6.412 0.334 1.00 0.00 H new ATOM 553 N TYR A 35 18.388 10.414 3.993 1.00 0.00 N ATOM 554 CA TYR A 35 17.407 11.486 3.869 1.00 0.00 C ATOM 555 C TYR A 35 17.491 12.168 2.502 1.00 0.00 C ATOM 556 O TYR A 35 16.469 12.597 1.969 1.00 0.00 O ATOM 557 CB TYR A 35 17.612 12.496 5.005 1.00 0.00 C ATOM 558 CG TYR A 35 17.582 11.883 6.394 1.00 0.00 C ATOM 559 CD1 TYR A 35 16.441 11.183 6.832 1.00 0.00 C ATOM 560 CD2 TYR A 35 18.708 11.973 7.236 1.00 0.00 C ATOM 561 CE1 TYR A 35 16.432 10.564 8.094 1.00 0.00 C ATOM 562 CE2 TYR A 35 18.694 11.364 8.502 1.00 0.00 C ATOM 563 CZ TYR A 35 17.565 10.639 8.922 1.00 0.00 C ATOM 564 OH TYR A 35 17.570 10.010 10.133 1.00 0.00 O ATOM 0 H TYR A 35 19.310 10.744 4.277 1.00 0.00 H new ATOM 0 HA TYR A 35 16.408 11.058 3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.569 12.998 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 35 16.838 13.261 4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 35 15.570 11.122 6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 35 19.584 12.512 6.907 1.00 0.00 H new ATOM 0 HE1 TYR A 35 15.554 10.031 8.427 1.00 0.00 H new ATOM 0 HE2 TYR A 35 19.551 11.453 9.153 1.00 0.00 H new ATOM 0 HH TYR A 35 18.430 10.162 10.577 1.00 0.00 H new ATOM 574 N GLU A 36 18.704 12.276 1.947 1.00 0.00 N ATOM 575 CA GLU A 36 18.978 12.941 0.679 1.00 0.00 C ATOM 576 C GLU A 36 19.040 11.919 -0.459 1.00 0.00 C ATOM 577 O GLU A 36 19.275 10.735 -0.228 1.00 0.00 O ATOM 578 CB GLU A 36 20.294 13.720 0.785 1.00 0.00 C ATOM 579 CG GLU A 36 20.206 14.825 1.843 1.00 0.00 C ATOM 580 CD GLU A 36 21.498 15.631 1.904 1.00 0.00 C ATOM 581 OE1 GLU A 36 21.678 16.482 1.006 1.00 0.00 O ATOM 582 OE2 GLU A 36 22.285 15.379 2.842 1.00 0.00 O ATOM 0 H GLU A 36 19.541 11.891 2.384 1.00 0.00 H new ATOM 0 HA GLU A 36 18.171 13.640 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.104 13.036 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.538 14.159 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.371 15.487 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.003 14.383 2.819 1.00 0.00 H new ATOM 589 N VAL A 37 18.823 12.386 -1.694 1.00 0.00 N ATOM 590 CA VAL A 37 18.797 11.543 -2.884 1.00 0.00 C ATOM 591 C VAL A 37 20.222 11.070 -3.207 1.00 0.00 C ATOM 592 O VAL A 37 21.142 11.886 -3.177 1.00 0.00 O ATOM 593 CB VAL A 37 18.188 12.325 -4.063 1.00 0.00 C ATOM 594 CG1 VAL A 37 18.181 11.488 -5.350 1.00 0.00 C ATOM 595 CG2 VAL A 37 16.748 12.755 -3.754 1.00 0.00 C ATOM 0 H VAL A 37 18.659 13.373 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 37 18.176 10.666 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 37 18.813 13.206 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.744 12.071 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 37 19.203 11.213 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.591 10.585 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.342 13.305 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.137 11.872 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.741 13.394 -2.871 1.00 0.00 H new ATOM 605 N PRO A 38 20.425 9.776 -3.514 1.00 0.00 N ATOM 606 CA PRO A 38 21.683 9.278 -4.045 1.00 0.00 C ATOM 607 C PRO A 38 21.680 9.443 -5.565 1.00 0.00 C ATOM 608 O PRO A 38 20.903 8.792 -6.262 1.00 0.00 O ATOM 609 CB PRO A 38 21.753 7.807 -3.624 1.00 0.00 C ATOM 610 CG PRO A 38 20.287 7.388 -3.544 1.00 0.00 C ATOM 611 CD PRO A 38 19.572 8.669 -3.111 1.00 0.00 C ATOM 0 HA PRO A 38 22.553 9.818 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.303 7.208 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.257 7.688 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 38 19.919 7.029 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 38 20.138 6.583 -2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.592 8.744 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.410 8.677 -2.033 1.00 0.00 H new ATOM 619 N ASP A 39 22.556 10.314 -6.076 1.00 0.00 N ATOM 620 CA ASP A 39 22.843 10.451 -7.497 1.00 0.00 C ATOM 621 C ASP A 39 23.715 9.286 -7.981 1.00 0.00 C ATOM 622 O ASP A 39 24.872 9.469 -8.353 1.00 0.00 O ATOM 623 CB ASP A 39 23.460 11.835 -7.771 1.00 0.00 C ATOM 624 CG ASP A 39 24.764 12.103 -7.016 1.00 0.00 C ATOM 625 OD1 ASP A 39 24.749 11.967 -5.772 1.00 0.00 O ATOM 626 OD2 ASP A 39 25.751 12.460 -7.694 1.00 0.00 O ATOM 0 H ASP A 39 23.095 10.956 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 39 21.920 10.397 -8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.647 11.932 -8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 39 22.734 12.603 -7.503 1.00 0.00 H new ATOM 631 N GLY A 40 23.140 8.077 -7.986 1.00 0.00 N ATOM 632 CA GLY A 40 23.779 6.875 -8.497 1.00 0.00 C ATOM 633 C GLY A 40 22.740 5.826 -8.889 1.00 0.00 C ATOM 634 O GLY A 40 21.547 5.989 -8.629 1.00 0.00 O ATOM 0 H GLY A 40 22.200 7.912 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 40 24.393 7.125 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 40 24.447 6.465 -7.740 1.00 0.00 H new ATOM 638 N GLU A 41 23.214 4.739 -9.507 1.00 0.00 N ATOM 639 CA GLU A 41 22.388 3.729 -10.151 1.00 0.00 C ATOM 640 C GLU A 41 21.839 2.761 -9.098 1.00 0.00 C ATOM 641 O GLU A 41 22.406 1.695 -8.867 1.00 0.00 O ATOM 642 CB GLU A 41 23.211 2.992 -11.222 1.00 0.00 C ATOM 643 CG GLU A 41 23.629 3.886 -12.402 1.00 0.00 C ATOM 644 CD GLU A 41 24.678 4.942 -12.052 1.00 0.00 C ATOM 645 OE1 GLU A 41 25.528 4.647 -11.181 1.00 0.00 O ATOM 646 OE2 GLU A 41 24.608 6.033 -12.658 1.00 0.00 O ATOM 0 H GLU A 41 24.212 4.538 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 41 21.540 4.204 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 41 24.105 2.576 -10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.629 2.153 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.019 3.255 -13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 41 22.744 4.386 -12.795 1.00 0.00 H new ATOM 653 N TRP A 42 20.730 3.144 -8.455 1.00 0.00 N ATOM 654 CA TRP A 42 20.212 2.441 -7.294 1.00 0.00 C ATOM 655 C TRP A 42 19.508 1.143 -7.693 1.00 0.00 C ATOM 656 O TRP A 42 18.435 1.172 -8.294 1.00 0.00 O ATOM 657 CB TRP A 42 19.255 3.337 -6.503 1.00 0.00 C ATOM 658 CG TRP A 42 18.597 2.631 -5.354 1.00 0.00 C ATOM 659 CD1 TRP A 42 17.347 2.118 -5.363 1.00 0.00 C ATOM 660 CD2 TRP A 42 19.177 2.243 -4.071 1.00 0.00 C ATOM 661 NE1 TRP A 42 17.120 1.434 -4.189 1.00 0.00 N ATOM 662 CE2 TRP A 42 18.218 1.469 -3.355 1.00 0.00 C ATOM 663 CE3 TRP A 42 20.427 2.449 -3.447 1.00 0.00 C ATOM 664 CZ2 TRP A 42 18.483 0.926 -2.088 1.00 0.00 C ATOM 665 CZ3 TRP A 42 20.698 1.922 -2.171 1.00 0.00 C ATOM 666 CH2 TRP A 42 19.731 1.160 -1.492 1.00 0.00 C ATOM 0 H TRP A 42 20.172 3.952 -8.732 1.00 0.00 H new ATOM 0 HA TRP A 42 21.061 2.184 -6.661 1.00 0.00 H new ATOM 0 HB2 TRP A 42 19.804 4.199 -6.125 1.00 0.00 H new ATOM 0 HB3 TRP A 42 18.486 3.719 -7.175 1.00 0.00 H new ATOM 0 HD1 TRP A 42 16.635 2.227 -6.168 1.00 0.00 H new ATOM 0 HE1 TRP A 42 16.246 0.959 -3.964 1.00 0.00 H new ATOM 0 HE3 TRP A 42 21.188 3.021 -3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 17.736 0.336 -1.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 21.657 2.104 -1.709 1.00 0.00 H new ATOM 0 HH2 TRP A 42 19.948 0.756 -0.514 1.00 0.00 H new ATOM 677 N GLN A 43 20.102 0.011 -7.304 1.00 0.00 N ATOM 678 CA GLN A 43 19.488 -1.304 -7.379 1.00 0.00 C ATOM 679 C GLN A 43 18.514 -1.443 -6.205 1.00 0.00 C ATOM 680 O GLN A 43 18.890 -1.198 -5.060 1.00 0.00 O ATOM 681 CB GLN A 43 20.588 -2.371 -7.299 1.00 0.00 C ATOM 682 CG GLN A 43 21.456 -2.439 -8.562 1.00 0.00 C ATOM 683 CD GLN A 43 20.934 -3.489 -9.538 1.00 0.00 C ATOM 684 OE1 GLN A 43 21.394 -4.628 -9.521 1.00 0.00 O ATOM 685 NE2 GLN A 43 19.956 -3.129 -10.367 1.00 0.00 N ATOM 0 H GLN A 43 21.047 -0.009 -6.920 1.00 0.00 H new ATOM 0 HA GLN A 43 18.946 -1.432 -8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.225 -2.164 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 43 20.129 -3.345 -7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.471 -1.464 -9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 43 22.484 -2.674 -8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 43 19.600 -2.173 -10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 43 19.563 -3.809 -11.018 1.00 0.00 H new ATOM 694 N CYS A 44 17.261 -1.817 -6.491 1.00 0.00 N ATOM 695 CA CYS A 44 16.195 -1.909 -5.498 1.00 0.00 C ATOM 696 C CYS A 44 16.263 -3.265 -4.777 1.00 0.00 C ATOM 697 O CYS A 44 17.048 -4.114 -5.190 1.00 0.00 O ATOM 698 CB CYS A 44 14.850 -1.663 -6.190 1.00 0.00 C ATOM 699 SG CYS A 44 14.178 -3.023 -7.181 1.00 0.00 S ATOM 0 H CYS A 44 16.960 -2.067 -7.433 1.00 0.00 H new ATOM 0 HA CYS A 44 16.315 -1.145 -4.729 1.00 0.00 H new ATOM 0 HB2 CYS A 44 14.117 -1.406 -5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 44 14.955 -0.792 -6.836 1.00 0.00 H new ATOM 0 HG CYS A 44 15.093 -3.461 -7.994 1.00 0.00 H new ATOM 704 N PRO A 45 15.457 -3.505 -3.725 1.00 0.00 N ATOM 705 CA PRO A 45 15.480 -4.743 -2.949 1.00 0.00 C ATOM 706 C PRO A 45 15.315 -6.033 -3.758 1.00 0.00 C ATOM 707 O PRO A 45 15.804 -7.077 -3.331 1.00 0.00 O ATOM 708 CB PRO A 45 14.380 -4.588 -1.901 1.00 0.00 C ATOM 709 CG PRO A 45 14.438 -3.091 -1.609 1.00 0.00 C ATOM 710 CD PRO A 45 14.700 -2.500 -2.995 1.00 0.00 C ATOM 0 HA PRO A 45 16.470 -4.868 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.406 -4.893 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 45 14.575 -5.186 -1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.506 -2.724 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.232 -2.844 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.764 -2.271 -3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.260 -1.567 -2.922 1.00 0.00 H new ATOM 718 N ALA A 46 14.629 -5.976 -4.906 1.00 0.00 N ATOM 719 CA ALA A 46 14.521 -7.107 -5.814 1.00 0.00 C ATOM 720 C ALA A 46 15.875 -7.397 -6.460 1.00 0.00 C ATOM 721 O ALA A 46 16.291 -8.552 -6.529 1.00 0.00 O ATOM 722 CB ALA A 46 13.457 -6.820 -6.877 1.00 0.00 C ATOM 0 H ALA A 46 14.136 -5.142 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 46 14.218 -7.991 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.381 -7.671 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.495 -6.654 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.737 -5.931 -7.442 1.00 0.00 H new ATOM 728 N CYS A 47 16.552 -6.348 -6.944 1.00 0.00 N ATOM 729 CA CYS A 47 17.737 -6.481 -7.767 1.00 0.00 C ATOM 730 C CYS A 47 18.977 -6.738 -6.908 1.00 0.00 C ATOM 731 O CYS A 47 19.732 -7.672 -7.174 1.00 0.00 O ATOM 732 CB CYS A 47 17.913 -5.235 -8.636 1.00 0.00 C ATOM 733 SG CYS A 47 16.508 -4.779 -9.681 1.00 0.00 S ATOM 0 H CYS A 47 16.282 -5.380 -6.768 1.00 0.00 H new ATOM 0 HA CYS A 47 17.611 -7.343 -8.422 1.00 0.00 H new ATOM 0 HB2 CYS A 47 18.141 -4.392 -7.983 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.781 -5.385 -9.277 1.00 0.00 H new ATOM 0 HG CYS A 47 16.355 -3.488 -9.664 1.00 0.00 H new ATOM 738 N GLN A 48 19.192 -5.901 -5.884 1.00 0.00 N ATOM 739 CA GLN A 48 20.420 -5.870 -5.108 1.00 0.00 C ATOM 740 C GLN A 48 20.547 -7.131 -4.242 1.00 0.00 C ATOM 741 O GLN A 48 19.532 -7.662 -3.789 1.00 0.00 O ATOM 742 CB GLN A 48 20.466 -4.582 -4.270 1.00 0.00 C ATOM 743 CG GLN A 48 19.537 -4.587 -3.047 1.00 0.00 C ATOM 744 CD GLN A 48 19.295 -3.178 -2.500 1.00 0.00 C ATOM 745 OE1 GLN A 48 18.173 -2.833 -2.134 1.00 0.00 O ATOM 746 NE2 GLN A 48 20.338 -2.349 -2.440 1.00 0.00 N ATOM 0 H GLN A 48 18.500 -5.219 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 48 21.277 -5.864 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 48 21.490 -4.419 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.202 -3.738 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 48 18.583 -5.038 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 48 19.972 -5.209 -2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.257 -2.663 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.216 -1.401 -2.083 1.00 0.00 H new