USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 248 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.1!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -0.0528 (180deg=-0.637) USER MOD Single : A 24 SER OG : rot -140:sc= -1.42! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.134 K(o=-0.13,f=-1) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.407 5.047 -1.637 1.00 0.00 N ATOM 11 CA CYS A 2 -5.388 3.973 -1.505 1.00 0.00 C ATOM 12 C CYS A 2 -5.094 3.640 -0.041 1.00 0.00 C ATOM 13 O CYS A 2 -5.878 3.909 0.847 1.00 0.00 O ATOM 14 CB CYS A 2 -4.159 4.525 -2.215 1.00 0.00 C ATOM 15 SG CYS A 2 -3.505 5.959 -1.323 1.00 0.00 S ATOM 0 HA CYS A 2 -5.728 3.033 -1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.394 3.752 -2.285 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.418 4.810 -3.235 1.00 0.00 H new ATOM 20 N LEU A 3 -3.977 3.024 0.209 1.00 0.00 N ATOM 21 CA LEU A 3 -3.629 2.642 1.602 1.00 0.00 C ATOM 22 C LEU A 3 -2.473 3.501 2.120 1.00 0.00 C ATOM 23 O LEU A 3 -2.397 4.684 1.855 1.00 0.00 O ATOM 24 CB LEU A 3 -3.209 1.178 1.500 1.00 0.00 C ATOM 25 CG LEU A 3 -4.334 0.361 0.857 1.00 0.00 C ATOM 26 CD1 LEU A 3 -3.874 -1.086 0.679 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.574 0.393 1.757 1.00 0.00 C ATOM 0 H LEU A 3 -3.286 2.767 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.458 2.788 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.299 1.091 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.982 0.785 2.491 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.581 0.789 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.674 -1.668 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.994 -1.112 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.626 -1.511 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.373 -0.189 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.329 -0.033 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.904 1.424 1.885 1.00 0.00 H new ATOM 39 N GLU A 4 -1.573 2.913 2.861 1.00 0.00 N ATOM 40 CA GLU A 4 -0.425 3.693 3.398 1.00 0.00 C ATOM 41 C GLU A 4 0.895 3.149 2.852 1.00 0.00 C ATOM 42 O GLU A 4 0.929 2.434 1.870 1.00 0.00 O ATOM 43 CB GLU A 4 -0.498 3.511 4.914 1.00 0.00 C ATOM 44 CG GLU A 4 -0.927 4.827 5.567 1.00 0.00 C ATOM 45 CD GLU A 4 -1.073 4.625 7.076 1.00 0.00 C ATOM 46 OE1 GLU A 4 -0.109 4.203 7.693 1.00 0.00 O ATOM 47 OE2 GLU A 4 -2.147 4.895 7.589 1.00 0.00 O ATOM 0 H GLU A 4 -1.585 1.926 3.117 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.472 4.743 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.207 2.722 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.473 3.200 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.190 5.604 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.872 5.165 5.142 1.00 0.00 H new ATOM 54 N PHE A 5 1.981 3.500 3.478 1.00 0.00 N ATOM 55 CA PHE A 5 3.314 3.029 3.002 1.00 0.00 C ATOM 56 C PHE A 5 3.573 1.578 3.424 1.00 0.00 C ATOM 57 O PHE A 5 4.606 1.016 3.120 1.00 0.00 O ATOM 58 CB PHE A 5 4.313 3.966 3.683 1.00 0.00 C ATOM 59 CG PHE A 5 5.651 3.880 2.990 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.883 4.620 1.825 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.663 3.066 3.515 1.00 0.00 C ATOM 62 CE1 PHE A 5 7.126 4.547 1.185 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.905 2.992 2.873 1.00 0.00 C ATOM 64 CZ PHE A 5 8.137 3.732 1.709 1.00 0.00 C ATOM 0 H PHE A 5 2.005 4.097 4.305 1.00 0.00 H new ATOM 0 HA PHE A 5 3.389 3.048 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.943 4.991 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.420 3.697 4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.103 5.247 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.485 2.496 4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.305 5.119 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.685 2.363 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.095 3.675 1.215 1.00 0.00 H new ATOM 74 N TRP A 6 2.661 0.967 4.132 1.00 0.00 N ATOM 75 CA TRP A 6 2.894 -0.443 4.569 1.00 0.00 C ATOM 76 C TRP A 6 1.578 -1.124 4.959 1.00 0.00 C ATOM 77 O TRP A 6 1.459 -1.692 6.026 1.00 0.00 O ATOM 78 CB TRP A 6 3.812 -0.311 5.785 1.00 0.00 C ATOM 79 CG TRP A 6 4.247 -1.663 6.248 1.00 0.00 C ATOM 80 CD1 TRP A 6 3.996 -2.181 7.473 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.007 -2.672 5.524 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.556 -3.442 7.547 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.188 -3.791 6.371 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.550 -2.725 4.229 1.00 0.00 C ATOM 85 CZ2 TRP A 6 5.886 -4.922 5.949 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.252 -3.863 3.800 1.00 0.00 C ATOM 87 CH2 TRP A 6 6.419 -4.959 4.658 1.00 0.00 C ATOM 0 H TRP A 6 1.774 1.376 4.425 1.00 0.00 H new ATOM 0 HA TRP A 6 3.327 -1.055 3.778 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.683 0.292 5.529 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.291 0.207 6.590 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.448 -1.689 8.263 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.508 -4.042 8.371 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.427 -1.886 3.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.014 -5.763 6.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 6.666 -3.894 2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 6 6.959 -5.831 4.321 1.00 0.00 H new ATOM 98 N TRP A 7 0.599 -1.095 4.099 1.00 0.00 N ATOM 99 CA TRP A 7 -0.690 -1.769 4.422 1.00 0.00 C ATOM 100 C TRP A 7 -0.799 -3.041 3.581 1.00 0.00 C ATOM 101 O TRP A 7 0.010 -3.269 2.707 1.00 0.00 O ATOM 102 CB TRP A 7 -1.781 -0.762 4.052 1.00 0.00 C ATOM 103 CG TRP A 7 -1.980 0.188 5.193 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.158 0.299 6.262 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.051 1.157 5.398 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.654 1.272 7.109 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.818 1.831 6.622 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.188 1.515 4.652 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.682 2.822 7.087 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.061 2.513 5.119 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.807 3.165 6.334 1.00 0.00 C ATOM 0 H TRP A 7 0.635 -0.635 3.189 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.774 -2.058 5.470 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.498 -0.215 3.153 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.713 -1.282 3.829 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.260 -0.279 6.427 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.213 1.544 7.988 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.392 1.020 3.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.482 3.321 8.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.932 2.779 4.539 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.481 3.932 6.687 1.00 0.00 H new ATOM 122 N LYS A 8 -1.768 -3.881 3.836 1.00 0.00 N ATOM 123 CA LYS A 8 -1.876 -5.135 3.029 1.00 0.00 C ATOM 124 C LYS A 8 -1.607 -4.827 1.559 1.00 0.00 C ATOM 125 O LYS A 8 -1.744 -3.705 1.115 1.00 0.00 O ATOM 126 CB LYS A 8 -3.309 -5.634 3.202 1.00 0.00 C ATOM 127 CG LYS A 8 -3.708 -5.595 4.678 1.00 0.00 C ATOM 128 CD LYS A 8 -4.645 -6.767 4.982 1.00 0.00 C ATOM 129 CE LYS A 8 -5.373 -6.510 6.304 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.812 -6.760 6.007 1.00 0.00 N ATOM 0 H LYS A 8 -2.480 -3.758 4.556 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.153 -5.883 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.990 -5.016 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.396 -6.652 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.820 -5.652 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.202 -4.651 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.367 -6.888 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.076 -7.695 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.011 -7.174 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.213 -5.489 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.376 -6.604 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.131 -6.109 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.935 -7.742 5.686 1.00 0.00 H new ATOM 144 N CYS A 9 -1.224 -5.809 0.802 1.00 0.00 N ATOM 145 CA CYS A 9 -0.945 -5.559 -0.641 1.00 0.00 C ATOM 146 C CYS A 9 -1.175 -6.825 -1.466 1.00 0.00 C ATOM 147 O CYS A 9 -1.226 -7.921 -0.947 1.00 0.00 O ATOM 148 CB CYS A 9 0.525 -5.145 -0.698 1.00 0.00 C ATOM 149 SG CYS A 9 1.565 -6.524 -0.155 1.00 0.00 S ATOM 0 H CYS A 9 -1.091 -6.771 1.113 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.603 -4.794 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.792 -4.853 -1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.694 -4.276 -0.062 1.00 0.00 H new ATOM 154 N ASN A 10 -1.309 -6.673 -2.754 1.00 0.00 N ATOM 155 CA ASN A 10 -1.532 -7.857 -3.630 1.00 0.00 C ATOM 156 C ASN A 10 -0.844 -7.639 -4.981 1.00 0.00 C ATOM 157 O ASN A 10 -1.094 -6.657 -5.652 1.00 0.00 O ATOM 158 CB ASN A 10 -3.049 -7.939 -3.807 1.00 0.00 C ATOM 159 CG ASN A 10 -3.451 -9.383 -4.117 1.00 0.00 C ATOM 160 OD1 ASN A 10 -2.786 -10.311 -3.704 1.00 0.00 O ATOM 161 ND2 ASN A 10 -4.518 -9.612 -4.833 1.00 0.00 N ATOM 0 H ASN A 10 -1.274 -5.777 -3.239 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.124 -8.774 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.550 -7.598 -2.901 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.367 -7.280 -4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.793 -10.571 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.077 -8.832 -5.180 1.00 0.00 H new ATOM 168 N PRO A 11 0.000 -8.567 -5.334 1.00 0.00 N ATOM 169 CA PRO A 11 0.730 -8.478 -6.623 1.00 0.00 C ATOM 170 C PRO A 11 -0.250 -8.597 -7.791 1.00 0.00 C ATOM 171 O PRO A 11 0.035 -8.185 -8.898 1.00 0.00 O ATOM 172 CB PRO A 11 1.692 -9.665 -6.571 1.00 0.00 C ATOM 173 CG PRO A 11 1.058 -10.621 -5.615 1.00 0.00 C ATOM 174 CD PRO A 11 0.350 -9.778 -4.589 1.00 0.00 C ATOM 0 HA PRO A 11 1.251 -7.532 -6.767 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.820 -10.115 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.681 -9.359 -6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.358 -11.279 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.808 -11.258 -5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.535 -10.279 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.993 -9.555 -3.738 1.00 0.00 H new ATOM 182 N ASN A 12 -1.409 -9.143 -7.548 1.00 0.00 N ATOM 183 CA ASN A 12 -2.415 -9.272 -8.636 1.00 0.00 C ATOM 184 C ASN A 12 -3.405 -8.107 -8.558 1.00 0.00 C ATOM 185 O ASN A 12 -3.974 -7.692 -9.548 1.00 0.00 O ATOM 186 CB ASN A 12 -3.124 -10.602 -8.372 1.00 0.00 C ATOM 187 CG ASN A 12 -3.887 -11.030 -9.627 1.00 0.00 C ATOM 188 OD1 ASN A 12 -5.036 -10.678 -9.804 1.00 0.00 O ATOM 189 ND2 ASN A 12 -3.291 -11.780 -10.512 1.00 0.00 N ATOM 0 H ASN A 12 -1.702 -9.506 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.964 -9.250 -9.628 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.397 -11.366 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.812 -10.500 -7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.790 -12.071 -11.353 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.326 -12.076 -10.363 1.00 0.00 H new ATOM 196 N ASP A 13 -3.605 -7.572 -7.383 1.00 0.00 N ATOM 197 CA ASP A 13 -4.548 -6.427 -7.233 1.00 0.00 C ATOM 198 C ASP A 13 -3.996 -5.432 -6.211 1.00 0.00 C ATOM 199 O ASP A 13 -4.673 -5.033 -5.285 1.00 0.00 O ATOM 200 CB ASP A 13 -5.854 -7.043 -6.731 1.00 0.00 C ATOM 201 CG ASP A 13 -7.039 -6.275 -7.320 1.00 0.00 C ATOM 202 OD1 ASP A 13 -7.466 -6.625 -8.407 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.497 -5.347 -6.674 1.00 0.00 O ATOM 0 H ASP A 13 -3.156 -7.879 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.693 -5.884 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.908 -8.093 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.890 -7.009 -5.642 1.00 0.00 H new ATOM 208 N ASP A 14 -2.765 -5.031 -6.376 1.00 0.00 N ATOM 209 CA ASP A 14 -2.160 -4.062 -5.416 1.00 0.00 C ATOM 210 C ASP A 14 -3.157 -2.950 -5.087 1.00 0.00 C ATOM 211 O ASP A 14 -3.881 -2.478 -5.941 1.00 0.00 O ATOM 212 CB ASP A 14 -0.941 -3.492 -6.141 1.00 0.00 C ATOM 213 CG ASP A 14 -1.324 -3.126 -7.576 1.00 0.00 C ATOM 214 OD1 ASP A 14 -2.490 -2.849 -7.803 1.00 0.00 O ATOM 215 OD2 ASP A 14 -0.446 -3.129 -8.421 1.00 0.00 O ATOM 0 H ASP A 14 -2.152 -5.332 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.888 -4.534 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.572 -2.611 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.132 -4.223 -6.145 1.00 0.00 H new ATOM 220 N LYS A 15 -3.200 -2.529 -3.854 1.00 0.00 N ATOM 221 CA LYS A 15 -4.149 -1.447 -3.470 1.00 0.00 C ATOM 222 C LYS A 15 -3.392 -0.285 -2.824 1.00 0.00 C ATOM 223 O LYS A 15 -3.943 0.774 -2.597 1.00 0.00 O ATOM 224 CB LYS A 15 -5.102 -2.094 -2.465 1.00 0.00 C ATOM 225 CG LYS A 15 -6.302 -1.171 -2.236 1.00 0.00 C ATOM 226 CD LYS A 15 -7.595 -1.932 -2.534 1.00 0.00 C ATOM 227 CE LYS A 15 -7.898 -2.895 -1.383 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.690 -3.997 -1.998 1.00 0.00 N ATOM 0 H LYS A 15 -2.619 -2.887 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.681 -1.039 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.439 -3.061 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.585 -2.277 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.307 -0.813 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.227 -0.294 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.420 -1.232 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.497 -2.485 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.980 -3.273 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.460 -2.399 -0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.935 -4.697 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.561 -3.609 -2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.127 -4.455 -2.743 1.00 0.00 H new ATOM 242 N CYS A 16 -2.131 -0.468 -2.531 1.00 0.00 N ATOM 243 CA CYS A 16 -1.354 0.640 -1.907 1.00 0.00 C ATOM 244 C CYS A 16 -1.357 1.856 -2.832 1.00 0.00 C ATOM 245 O CYS A 16 -1.537 1.738 -4.027 1.00 0.00 O ATOM 246 CB CYS A 16 0.072 0.103 -1.735 1.00 0.00 C ATOM 247 SG CYS A 16 1.010 1.238 -0.674 1.00 0.00 S ATOM 0 H CYS A 16 -1.610 -1.330 -2.696 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.779 0.952 -0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.048 -0.893 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.558 0.008 -2.706 1.00 0.00 H new ATOM 252 N CYS A 17 -1.149 3.023 -2.294 1.00 0.00 N ATOM 253 CA CYS A 17 -1.132 4.240 -3.153 1.00 0.00 C ATOM 254 C CYS A 17 -0.144 4.017 -4.300 1.00 0.00 C ATOM 255 O CYS A 17 0.653 3.102 -4.265 1.00 0.00 O ATOM 256 CB CYS A 17 -0.665 5.376 -2.239 1.00 0.00 C ATOM 257 SG CYS A 17 -1.661 5.391 -0.722 1.00 0.00 S ATOM 0 H CYS A 17 -0.990 3.188 -1.300 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.103 4.468 -3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.389 5.247 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.757 6.332 -2.755 1.00 0.00 H new ATOM 262 N ARG A 18 -0.189 4.827 -5.322 1.00 0.00 N ATOM 263 CA ARG A 18 0.755 4.611 -6.454 1.00 0.00 C ATOM 264 C ARG A 18 1.771 5.755 -6.599 1.00 0.00 C ATOM 265 O ARG A 18 2.150 6.089 -7.705 1.00 0.00 O ATOM 266 CB ARG A 18 -0.133 4.529 -7.695 1.00 0.00 C ATOM 267 CG ARG A 18 0.298 3.335 -8.546 1.00 0.00 C ATOM 268 CD ARG A 18 0.039 2.036 -7.777 1.00 0.00 C ATOM 269 NE ARG A 18 0.607 0.962 -8.640 1.00 0.00 N ATOM 270 CZ ARG A 18 1.249 -0.037 -8.100 1.00 0.00 C ATOM 271 NH1 ARG A 18 0.666 -0.773 -7.195 1.00 0.00 N ATOM 272 NH2 ARG A 18 2.473 -0.303 -8.469 1.00 0.00 N ATOM 0 H ARG A 18 -0.827 5.616 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 18 1.351 3.712 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.178 4.424 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.055 5.450 -8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.252 3.328 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.356 3.417 -8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.520 2.053 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.027 1.884 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 18 0.494 1.008 -9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.291 -0.567 -6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.167 -1.554 -6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.927 0.270 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.975 -1.084 -8.047 1.00 0.00 H new ATOM 286 N PRO A 19 2.211 6.309 -5.495 1.00 0.00 N ATOM 287 CA PRO A 19 3.217 7.391 -5.565 1.00 0.00 C ATOM 288 C PRO A 19 4.593 6.773 -5.823 1.00 0.00 C ATOM 289 O PRO A 19 5.450 7.361 -6.452 1.00 0.00 O ATOM 290 CB PRO A 19 3.162 8.029 -4.182 1.00 0.00 C ATOM 291 CG PRO A 19 2.651 6.952 -3.274 1.00 0.00 C ATOM 292 CD PRO A 19 1.832 6.000 -4.111 1.00 0.00 C ATOM 0 HA PRO A 19 3.032 8.115 -6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.147 8.375 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.502 8.897 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.479 6.428 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.044 7.380 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.052 4.962 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.764 6.147 -3.949 1.00 0.00 H new ATOM 300 N LYS A 20 4.793 5.576 -5.337 1.00 0.00 N ATOM 301 CA LYS A 20 6.095 4.875 -5.532 1.00 0.00 C ATOM 302 C LYS A 20 6.179 3.689 -4.565 1.00 0.00 C ATOM 303 O LYS A 20 7.191 3.460 -3.933 1.00 0.00 O ATOM 304 CB LYS A 20 7.172 5.911 -5.208 1.00 0.00 C ATOM 305 CG LYS A 20 7.869 6.349 -6.499 1.00 0.00 C ATOM 306 CD LYS A 20 9.359 6.015 -6.412 1.00 0.00 C ATOM 307 CE LYS A 20 9.801 5.296 -7.690 1.00 0.00 C ATOM 308 NZ LYS A 20 10.901 4.385 -7.261 1.00 0.00 N ATOM 0 H LYS A 20 4.100 5.048 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 20 6.213 4.487 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.724 6.773 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.900 5.489 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.422 5.845 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.734 7.420 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.939 6.928 -6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.550 5.385 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.977 4.738 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.147 6.005 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.256 3.857 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.675 4.945 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.541 3.717 -6.550 1.00 0.00 H new ATOM 322 N LEU A 21 5.115 2.942 -4.437 1.00 0.00 N ATOM 323 CA LEU A 21 5.123 1.780 -3.501 1.00 0.00 C ATOM 324 C LEU A 21 4.710 0.501 -4.233 1.00 0.00 C ATOM 325 O LEU A 21 4.181 0.540 -5.326 1.00 0.00 O ATOM 326 CB LEU A 21 4.088 2.128 -2.429 1.00 0.00 C ATOM 327 CG LEU A 21 4.294 3.569 -1.962 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.107 3.998 -1.097 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.581 3.659 -1.142 1.00 0.00 C ATOM 0 H LEU A 21 4.240 3.086 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 21 6.113 1.603 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.081 2.005 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.181 1.445 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 21 4.369 4.226 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.253 5.025 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.189 3.933 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.033 3.342 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.729 4.686 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.506 3.003 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.427 3.352 -1.757 1.00 0.00 H new ATOM 341 N LYS A 22 4.935 -0.635 -3.628 1.00 0.00 N ATOM 342 CA LYS A 22 4.549 -1.914 -4.272 1.00 0.00 C ATOM 343 C LYS A 22 4.473 -3.028 -3.224 1.00 0.00 C ATOM 344 O LYS A 22 5.326 -3.141 -2.367 1.00 0.00 O ATOM 345 CB LYS A 22 5.652 -2.201 -5.289 1.00 0.00 C ATOM 346 CG LYS A 22 5.364 -3.527 -5.997 1.00 0.00 C ATOM 347 CD LYS A 22 4.522 -3.266 -7.246 1.00 0.00 C ATOM 348 CE LYS A 22 3.135 -3.886 -7.063 1.00 0.00 C ATOM 349 NZ LYS A 22 3.371 -5.357 -7.071 1.00 0.00 N ATOM 0 H LYS A 22 5.372 -0.727 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 22 3.570 -1.858 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.708 -1.392 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.619 -2.247 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.299 -4.015 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.836 -4.203 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.433 -2.194 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.010 -3.692 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.678 -3.564 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.460 -3.589 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.554 -5.837 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.226 -5.568 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.497 -5.694 -6.095 1.00 0.00 H new ATOM 363 N CYS A 23 3.449 -3.842 -3.285 1.00 0.00 N ATOM 364 CA CYS A 23 3.300 -4.953 -2.294 1.00 0.00 C ATOM 365 C CYS A 23 4.665 -5.535 -1.910 1.00 0.00 C ATOM 366 O CYS A 23 5.594 -5.544 -2.694 1.00 0.00 O ATOM 367 CB CYS A 23 2.455 -6.015 -3.002 1.00 0.00 C ATOM 368 SG CYS A 23 2.160 -7.400 -1.875 1.00 0.00 S ATOM 0 H CYS A 23 2.706 -3.785 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 23 2.837 -4.604 -1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.506 -5.585 -3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.967 -6.364 -3.899 1.00 0.00 H new ATOM 373 N SER A 24 4.787 -6.016 -0.704 1.00 0.00 N ATOM 374 CA SER A 24 6.082 -6.597 -0.248 1.00 0.00 C ATOM 375 C SER A 24 5.827 -7.909 0.499 1.00 0.00 C ATOM 376 O SER A 24 5.056 -7.959 1.446 1.00 0.00 O ATOM 377 CB SER A 24 6.676 -5.547 0.692 1.00 0.00 C ATOM 378 OG SER A 24 7.748 -4.883 0.038 1.00 0.00 O ATOM 0 H SER A 24 4.040 -6.032 -0.010 1.00 0.00 H new ATOM 0 HA SER A 24 6.754 -6.825 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.910 -4.827 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.031 -6.021 1.607 1.00 0.00 H new ATOM 0 HG SER A 24 8.478 -4.734 0.675 1.00 0.00 H new ATOM 384 N LYS A 25 6.462 -8.970 0.073 1.00 0.00 N ATOM 385 CA LYS A 25 6.264 -10.292 0.735 1.00 0.00 C ATOM 386 C LYS A 25 6.801 -10.272 2.169 1.00 0.00 C ATOM 387 O LYS A 25 6.510 -11.154 2.953 1.00 0.00 O ATOM 388 CB LYS A 25 7.058 -11.283 -0.116 1.00 0.00 C ATOM 389 CG LYS A 25 6.100 -12.295 -0.748 1.00 0.00 C ATOM 390 CD LYS A 25 6.390 -13.691 -0.194 1.00 0.00 C ATOM 391 CE LYS A 25 5.318 -14.066 0.830 1.00 0.00 C ATOM 392 NZ LYS A 25 5.995 -15.001 1.771 1.00 0.00 N ATOM 0 H LYS A 25 7.114 -8.976 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 25 5.209 -10.556 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.608 -10.752 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.795 -11.799 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.068 -12.016 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.215 -12.292 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.405 -14.420 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.376 -13.712 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.944 -13.184 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.462 -14.540 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.322 -15.303 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.335 -15.834 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.801 -14.520 2.218 1.00 0.00 H new ATOM 406 N LEU A 26 7.578 -9.281 2.520 1.00 0.00 N ATOM 407 CA LEU A 26 8.123 -9.220 3.909 1.00 0.00 C ATOM 408 C LEU A 26 7.026 -9.615 4.905 1.00 0.00 C ATOM 409 O LEU A 26 7.182 -10.535 5.684 1.00 0.00 O ATOM 410 CB LEU A 26 8.545 -7.762 4.100 1.00 0.00 C ATOM 411 CG LEU A 26 10.027 -7.610 3.753 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.874 -8.237 4.861 1.00 0.00 C ATOM 413 CD2 LEU A 26 10.319 -8.316 2.425 1.00 0.00 C ATOM 0 H LEU A 26 7.858 -8.514 1.908 1.00 0.00 H new ATOM 0 HA LEU A 26 8.959 -9.900 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.943 -7.112 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.368 -7.453 5.130 1.00 0.00 H new ATOM 0 HG LEU A 26 10.272 -6.552 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.931 -8.130 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.668 -7.734 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.628 -9.295 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.375 -8.207 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.075 -9.375 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.715 -7.870 1.635 1.00 0.00 H new ATOM 425 N PHE A 27 5.907 -8.946 4.858 1.00 0.00 N ATOM 426 CA PHE A 27 4.777 -9.298 5.770 1.00 0.00 C ATOM 427 C PHE A 27 3.455 -9.224 5.005 1.00 0.00 C ATOM 428 O PHE A 27 2.394 -9.301 5.590 1.00 0.00 O ATOM 429 CB PHE A 27 4.785 -8.247 6.873 1.00 0.00 C ATOM 430 CG PHE A 27 5.874 -8.562 7.861 1.00 0.00 C ATOM 431 CD1 PHE A 27 7.200 -8.272 7.541 1.00 0.00 C ATOM 432 CD2 PHE A 27 5.560 -9.149 9.089 1.00 0.00 C ATOM 433 CE1 PHE A 27 8.219 -8.565 8.447 1.00 0.00 C ATOM 434 CE2 PHE A 27 6.577 -9.443 10.000 1.00 0.00 C ATOM 435 CZ PHE A 27 7.910 -9.151 9.680 1.00 0.00 C ATOM 0 H PHE A 27 5.724 -8.167 4.225 1.00 0.00 H new ATOM 0 HA PHE A 27 4.884 -10.306 6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.943 -7.257 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.818 -8.226 7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.438 -7.820 6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.533 -9.375 9.334 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.245 -8.340 8.197 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.336 -9.895 10.951 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.697 -9.378 10.384 1.00 0.00 H new ATOM 445 N LYS A 28 3.523 -9.055 3.702 1.00 0.00 N ATOM 446 CA LYS A 28 2.291 -8.945 2.851 1.00 0.00 C ATOM 447 C LYS A 28 1.772 -7.499 2.866 1.00 0.00 C ATOM 448 O LYS A 28 0.584 -7.249 2.760 1.00 0.00 O ATOM 449 CB LYS A 28 1.246 -9.904 3.439 1.00 0.00 C ATOM 450 CG LYS A 28 1.912 -11.219 3.856 1.00 0.00 C ATOM 451 CD LYS A 28 1.318 -12.373 3.045 1.00 0.00 C ATOM 452 CE LYS A 28 0.206 -13.044 3.853 1.00 0.00 C ATOM 453 NZ LYS A 28 0.588 -14.482 3.911 1.00 0.00 N ATOM 0 H LYS A 28 4.399 -8.987 3.183 1.00 0.00 H new ATOM 0 HA LYS A 28 2.505 -9.208 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.763 -9.443 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.466 -10.100 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.988 -11.162 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.761 -11.394 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.922 -12.001 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.094 -13.099 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.130 -12.615 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.764 -12.912 3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.128 -15.010 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.646 -14.865 2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.513 -14.577 4.377 1.00 0.00 H new ATOM 467 N LEU A 29 2.662 -6.543 2.976 1.00 0.00 N ATOM 468 CA LEU A 29 2.230 -5.108 2.978 1.00 0.00 C ATOM 469 C LEU A 29 2.866 -4.392 1.793 1.00 0.00 C ATOM 470 O LEU A 29 3.699 -4.942 1.108 1.00 0.00 O ATOM 471 CB LEU A 29 2.743 -4.487 4.287 1.00 0.00 C ATOM 472 CG LEU A 29 2.135 -5.205 5.493 1.00 0.00 C ATOM 473 CD1 LEU A 29 0.625 -5.343 5.303 1.00 0.00 C ATOM 474 CD2 LEU A 29 2.759 -6.589 5.629 1.00 0.00 C ATOM 0 H LEU A 29 3.667 -6.693 3.064 1.00 0.00 H new ATOM 0 HA LEU A 29 1.146 -5.021 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.830 -4.553 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.487 -3.428 4.319 1.00 0.00 H new ATOM 0 HG LEU A 29 2.333 -4.626 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.195 -5.855 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.178 -4.353 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.423 -5.919 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.326 -7.101 6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.563 -7.167 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.835 -6.491 5.770 1.00 0.00 H new ATOM 486 N CYS A 30 2.489 -3.174 1.541 1.00 0.00 N ATOM 487 CA CYS A 30 3.087 -2.446 0.397 1.00 0.00 C ATOM 488 C CYS A 30 4.295 -1.626 0.859 1.00 0.00 C ATOM 489 O CYS A 30 4.223 -0.872 1.807 1.00 0.00 O ATOM 490 CB CYS A 30 1.952 -1.566 -0.140 1.00 0.00 C ATOM 491 SG CYS A 30 1.899 0.041 0.690 1.00 0.00 S ATOM 0 H CYS A 30 1.795 -2.653 2.077 1.00 0.00 H new ATOM 0 HA CYS A 30 3.468 -3.109 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.083 -1.418 -1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.999 -2.078 -0.003 1.00 0.00 H new ATOM 496 N ASN A 31 5.405 -1.781 0.196 1.00 0.00 N ATOM 497 CA ASN A 31 6.624 -1.023 0.594 1.00 0.00 C ATOM 498 C ASN A 31 7.004 -0.021 -0.499 1.00 0.00 C ATOM 499 O ASN A 31 6.154 0.588 -1.117 1.00 0.00 O ATOM 500 CB ASN A 31 7.711 -2.087 0.752 1.00 0.00 C ATOM 501 CG ASN A 31 8.727 -1.629 1.799 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.365 -1.058 2.809 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.996 -1.861 1.600 1.00 0.00 N ATOM 0 H ASN A 31 5.522 -2.401 -0.606 1.00 0.00 H new ATOM 0 HA ASN A 31 6.477 -0.450 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.265 -3.035 1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.209 -2.258 -0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.684 -1.563 2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.300 -2.340 0.752 1.00 0.00 H new