USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -65:sc= 1.05 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -29:sc= 0.0493 USER MOD Single : A 24 ASN : amide:sc= -2.71 K(o=-2.7,f=-14!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.53 K(o=-0.53,f=-3.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0869 USER MOD Single : A 35 TYR OH : rot 146:sc= -6.45! USER MOD Single : A 41 LYS NZ :NH3+ -117:sc= -0.0238 (180deg=-0.282) USER MOD Single : A 43 ASN : amide:sc= -3.85! C(o=-3.9!,f=-8!) USER MOD Single : A 44 ASN : amide:sc= -9.6! C(o=-9.6!,f=-22!) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.0719 (180deg=-0.937) USER MOD Single : A 47 SER OG : rot 180:sc= -1.26 USER MOD Single : A 52 MET CE :methyl 169:sc= -1.42 (180deg=-1.75) USER MOD Single : A 54 THR OG1 : rot 118:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 53 N PHE A 4 7.314 -7.931 3.330 1.00 0.00 N ATOM 54 CA PHE A 4 5.847 -7.766 3.101 1.00 0.00 C ATOM 55 C PHE A 4 5.575 -6.578 2.180 1.00 0.00 C ATOM 56 O PHE A 4 4.511 -6.458 1.607 1.00 0.00 O ATOM 57 CB PHE A 4 5.224 -7.554 4.486 1.00 0.00 C ATOM 58 CG PHE A 4 5.575 -6.195 5.050 1.00 0.00 C ATOM 59 CD1 PHE A 4 5.053 -5.027 4.479 1.00 0.00 C ATOM 60 CD2 PHE A 4 6.386 -6.109 6.186 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.332 -3.795 5.032 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.677 -4.859 6.741 1.00 0.00 C ATOM 63 CZ PHE A 4 6.147 -3.699 6.165 1.00 0.00 C ATOM 0 HA PHE A 4 5.416 -8.638 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.141 -7.652 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.572 -8.332 5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.428 -5.092 3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.787 -7.006 6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.920 -2.901 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.310 -4.789 7.613 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.367 -2.732 6.594 1.00 0.00 H new ATOM 73 N CYS A 5 6.528 -5.704 2.024 1.00 0.00 N ATOM 74 CA CYS A 5 6.313 -4.527 1.136 1.00 0.00 C ATOM 75 C CYS A 5 6.628 -4.877 -0.323 1.00 0.00 C ATOM 76 O CYS A 5 6.275 -4.150 -1.230 1.00 0.00 O ATOM 77 CB CYS A 5 7.278 -3.464 1.653 1.00 0.00 C ATOM 78 SG CYS A 5 6.360 -2.261 2.641 1.00 0.00 S ATOM 0 H CYS A 5 7.444 -5.752 2.471 1.00 0.00 H new ATOM 0 HA CYS A 5 5.277 -4.188 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.060 -3.927 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.772 -2.966 0.818 1.00 0.00 H new ATOM 83 N LEU A 6 7.286 -5.981 -0.563 1.00 0.00 N ATOM 84 CA LEU A 6 7.615 -6.357 -1.970 1.00 0.00 C ATOM 85 C LEU A 6 6.368 -6.887 -2.680 1.00 0.00 C ATOM 86 O LEU A 6 6.235 -6.787 -3.883 1.00 0.00 O ATOM 87 CB LEU A 6 8.670 -7.458 -1.863 1.00 0.00 C ATOM 88 CG LEU A 6 9.812 -6.993 -0.961 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.827 -8.126 -0.801 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.499 -5.778 -1.590 1.00 0.00 C ATOM 0 H LEU A 6 7.608 -6.635 0.150 1.00 0.00 H new ATOM 0 HA LEU A 6 7.977 -5.504 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.222 -8.366 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.053 -7.705 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 6 9.414 -6.719 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.643 -7.796 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.339 -8.991 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.224 -8.400 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.314 -5.447 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.897 -6.051 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.776 -4.970 -1.705 1.00 0.00 H new ATOM 102 N GLU A 7 5.455 -7.453 -1.942 1.00 0.00 N ATOM 103 CA GLU A 7 4.218 -7.992 -2.573 1.00 0.00 C ATOM 104 C GLU A 7 3.398 -6.856 -3.188 1.00 0.00 C ATOM 105 O GLU A 7 3.643 -5.696 -2.921 1.00 0.00 O ATOM 106 CB GLU A 7 3.444 -8.651 -1.432 1.00 0.00 C ATOM 107 CG GLU A 7 3.244 -10.135 -1.743 1.00 0.00 C ATOM 108 CD GLU A 7 3.610 -10.968 -0.514 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.740 -10.863 -0.068 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.752 -11.695 -0.039 1.00 0.00 O ATOM 0 H GLU A 7 5.511 -7.566 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 7 4.439 -8.695 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.988 -8.535 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.478 -8.162 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.208 -10.322 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.864 -10.427 -2.591 1.00 0.00 H new ATOM 117 N PRO A 8 2.446 -7.236 -3.996 1.00 0.00 N ATOM 118 CA PRO A 8 1.570 -6.243 -4.664 1.00 0.00 C ATOM 119 C PRO A 8 0.561 -5.664 -3.668 1.00 0.00 C ATOM 120 O PRO A 8 0.413 -6.168 -2.573 1.00 0.00 O ATOM 121 CB PRO A 8 0.860 -7.062 -5.740 1.00 0.00 C ATOM 122 CG PRO A 8 0.887 -8.472 -5.240 1.00 0.00 C ATOM 123 CD PRO A 8 2.100 -8.613 -4.356 1.00 0.00 C ATOM 0 HA PRO A 8 2.118 -5.393 -5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.163 -6.716 -5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.368 -6.975 -6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.022 -8.699 -4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.935 -9.174 -6.073 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.881 -9.212 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.919 -9.105 -4.880 1.00 0.00 H new ATOM 131 N PRO A 9 -0.103 -4.620 -4.088 1.00 0.00 N ATOM 132 CA PRO A 9 -1.113 -3.958 -3.225 1.00 0.00 C ATOM 133 C PRO A 9 -2.362 -4.833 -3.084 1.00 0.00 C ATOM 134 O PRO A 9 -2.373 -5.982 -3.476 1.00 0.00 O ATOM 135 CB PRO A 9 -1.425 -2.659 -3.965 1.00 0.00 C ATOM 136 CG PRO A 9 -1.077 -2.931 -5.395 1.00 0.00 C ATOM 137 CD PRO A 9 0.020 -3.965 -5.395 1.00 0.00 C ATOM 0 HA PRO A 9 -0.759 -3.784 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.476 -2.388 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.840 -1.829 -3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.948 -3.293 -5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.746 -2.019 -5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.104 -4.677 -6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.001 -3.505 -5.520 1.00 0.00 H new ATOM 145 N TYR A 10 -3.409 -4.302 -2.514 1.00 0.00 N ATOM 146 CA TYR A 10 -4.653 -5.108 -2.335 1.00 0.00 C ATOM 147 C TYR A 10 -5.888 -4.227 -2.477 1.00 0.00 C ATOM 148 O TYR A 10 -6.360 -3.641 -1.523 1.00 0.00 O ATOM 149 CB TYR A 10 -4.546 -5.660 -0.913 1.00 0.00 C ATOM 150 CG TYR A 10 -5.592 -6.726 -0.699 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.487 -7.954 -1.364 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.665 -6.489 0.169 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.457 -8.943 -1.163 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.636 -7.480 0.370 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.530 -8.707 -0.297 1.00 0.00 C ATOM 156 OH TYR A 10 -8.484 -9.685 -0.100 1.00 0.00 O ATOM 0 H TYR A 10 -3.458 -3.345 -2.164 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.749 -5.896 -3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.552 -6.075 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.680 -4.856 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.658 -8.138 -2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.745 -5.543 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.377 -9.889 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.465 -7.298 1.038 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.159 -9.361 0.532 1.00 0.00 H new ATOM 166 N THR A 11 -6.432 -4.155 -3.658 1.00 0.00 N ATOM 167 CA THR A 11 -7.655 -3.339 -3.861 1.00 0.00 C ATOM 168 C THR A 11 -8.785 -3.966 -3.048 1.00 0.00 C ATOM 169 O THR A 11 -9.753 -3.320 -2.699 1.00 0.00 O ATOM 170 CB THR A 11 -7.946 -3.410 -5.365 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.161 -2.437 -6.041 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.427 -3.122 -5.621 1.00 0.00 C ATOM 0 H THR A 11 -6.081 -4.627 -4.491 1.00 0.00 H new ATOM 0 HA THR A 11 -7.546 -2.303 -3.540 1.00 0.00 H new ATOM 0 HB THR A 11 -7.701 -4.407 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.444 -1.540 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.628 -3.174 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.037 -3.861 -5.101 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.673 -2.126 -5.253 1.00 0.00 H new ATOM 180 N GLY A 12 -8.661 -5.232 -2.749 1.00 0.00 N ATOM 181 CA GLY A 12 -9.721 -5.922 -1.959 1.00 0.00 C ATOM 182 C GLY A 12 -11.049 -5.857 -2.718 1.00 0.00 C ATOM 183 O GLY A 12 -11.239 -5.007 -3.564 1.00 0.00 O ATOM 0 H GLY A 12 -7.871 -5.818 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.441 -6.961 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.825 -5.451 -0.982 1.00 0.00 H new ATOM 187 N PRO A 13 -11.926 -6.766 -2.385 1.00 0.00 N ATOM 188 CA PRO A 13 -13.255 -6.821 -3.042 1.00 0.00 C ATOM 189 C PRO A 13 -14.169 -5.716 -2.502 1.00 0.00 C ATOM 190 O PRO A 13 -15.001 -5.950 -1.647 1.00 0.00 O ATOM 191 CB PRO A 13 -13.790 -8.195 -2.655 1.00 0.00 C ATOM 192 CG PRO A 13 -13.089 -8.542 -1.377 1.00 0.00 C ATOM 193 CD PRO A 13 -11.763 -7.822 -1.379 1.00 0.00 C ATOM 0 HA PRO A 13 -13.202 -6.674 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.871 -8.173 -2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.582 -8.932 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.688 -8.241 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.941 -9.619 -1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.535 -7.405 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.945 -8.495 -1.637 1.00 0.00 H new ATOM 201 N CYS A 14 -14.027 -4.516 -2.994 1.00 0.00 N ATOM 202 CA CYS A 14 -14.894 -3.404 -2.507 1.00 0.00 C ATOM 203 C CYS A 14 -15.163 -2.407 -3.639 1.00 0.00 C ATOM 204 O CYS A 14 -14.529 -2.446 -4.675 1.00 0.00 O ATOM 205 CB CYS A 14 -14.099 -2.739 -1.381 1.00 0.00 C ATOM 206 SG CYS A 14 -14.621 -3.426 0.210 1.00 0.00 S ATOM 0 H CYS A 14 -13.349 -4.257 -3.711 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.864 -3.760 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.032 -2.904 -1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.260 -1.661 -1.395 1.00 0.00 H new ATOM 211 N LYS A 15 -16.101 -1.519 -3.452 1.00 0.00 N ATOM 212 CA LYS A 15 -16.411 -0.524 -4.520 1.00 0.00 C ATOM 213 C LYS A 15 -15.908 0.864 -4.117 1.00 0.00 C ATOM 214 O LYS A 15 -16.274 1.862 -4.705 1.00 0.00 O ATOM 215 CB LYS A 15 -17.935 -0.530 -4.636 1.00 0.00 C ATOM 216 CG LYS A 15 -18.366 -1.608 -5.631 1.00 0.00 C ATOM 217 CD LYS A 15 -19.862 -1.470 -5.916 1.00 0.00 C ATOM 218 CE LYS A 15 -20.199 -2.160 -7.240 1.00 0.00 C ATOM 219 NZ LYS A 15 -21.453 -2.917 -6.968 1.00 0.00 N ATOM 0 H LYS A 15 -16.666 -1.439 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.929 -0.771 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.384 -0.720 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.289 0.447 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.798 -1.512 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.152 -2.597 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.439 -1.915 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.138 -0.416 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.342 -1.433 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.395 -2.826 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.750 -3.418 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.285 -3.606 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.201 -2.256 -6.677 1.00 0.00 H new ATOM 233 N ALA A 16 -15.069 0.934 -3.119 1.00 0.00 N ATOM 234 CA ALA A 16 -14.541 2.258 -2.680 1.00 0.00 C ATOM 235 C ALA A 16 -13.322 2.643 -3.523 1.00 0.00 C ATOM 236 O ALA A 16 -12.618 1.795 -4.034 1.00 0.00 O ATOM 237 CB ALA A 16 -14.139 2.057 -1.218 1.00 0.00 C ATOM 0 H ALA A 16 -14.727 0.133 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.274 3.056 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.739 2.989 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.013 1.760 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.379 1.279 -1.153 1.00 0.00 H new ATOM 243 N ARG A 17 -13.070 3.913 -3.677 1.00 0.00 N ATOM 244 CA ARG A 17 -11.899 4.341 -4.492 1.00 0.00 C ATOM 245 C ARG A 17 -10.981 5.253 -3.673 1.00 0.00 C ATOM 246 O ARG A 17 -10.984 6.458 -3.833 1.00 0.00 O ATOM 247 CB ARG A 17 -12.496 5.102 -5.676 1.00 0.00 C ATOM 248 CG ARG A 17 -12.434 4.224 -6.927 1.00 0.00 C ATOM 249 CD ARG A 17 -11.037 4.313 -7.544 1.00 0.00 C ATOM 250 NE ARG A 17 -11.268 4.645 -8.977 1.00 0.00 N ATOM 251 CZ ARG A 17 -10.291 5.111 -9.703 1.00 0.00 C ATOM 252 NH1 ARG A 17 -9.514 6.047 -9.229 1.00 0.00 N ATOM 253 NH2 ARG A 17 -10.088 4.641 -10.903 1.00 0.00 N ATOM 0 H ARG A 17 -13.622 4.671 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.293 3.495 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.529 5.377 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.947 6.029 -5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.665 3.190 -6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.183 4.548 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.437 5.079 -7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.499 3.371 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.190 4.508 -9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.671 6.414 -8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.749 6.412 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.694 3.909 -11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.323 5.006 -11.471 1.00 0.00 H new ATOM 267 N ILE A 18 -10.189 4.688 -2.802 1.00 0.00 N ATOM 268 CA ILE A 18 -9.266 5.524 -1.982 1.00 0.00 C ATOM 269 C ILE A 18 -7.842 5.420 -2.529 1.00 0.00 C ATOM 270 O ILE A 18 -7.384 4.354 -2.894 1.00 0.00 O ATOM 271 CB ILE A 18 -9.338 4.938 -0.571 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.691 5.284 0.054 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.215 5.532 0.281 1.00 0.00 C ATOM 274 CD1 ILE A 18 -10.859 4.518 1.366 1.00 0.00 C ATOM 0 H ILE A 18 -10.141 3.685 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.542 6.578 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.226 3.855 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.755 6.357 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.497 5.029 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.263 5.117 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.251 5.288 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.329 6.615 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.823 4.765 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.813 3.447 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.060 4.795 2.054 1.00 0.00 H new ATOM 286 N ILE A 19 -7.136 6.513 -2.594 1.00 0.00 N ATOM 287 CA ILE A 19 -5.742 6.462 -3.122 1.00 0.00 C ATOM 288 C ILE A 19 -4.760 6.119 -1.996 1.00 0.00 C ATOM 289 O ILE A 19 -4.120 6.984 -1.435 1.00 0.00 O ATOM 290 CB ILE A 19 -5.468 7.866 -3.664 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.415 8.157 -4.831 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.022 7.945 -4.153 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.150 7.166 -5.966 1.00 0.00 C ATOM 0 H ILE A 19 -7.460 7.436 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.622 5.699 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.629 8.600 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.451 8.078 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.270 9.178 -5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.823 8.944 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.346 7.735 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.865 7.212 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.825 7.374 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.118 7.266 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.318 6.150 -5.608 1.00 0.00 H new ATOM 305 N ARG A 20 -4.636 4.861 -1.664 1.00 0.00 N ATOM 306 CA ARG A 20 -3.693 4.465 -0.576 1.00 0.00 C ATOM 307 C ARG A 20 -2.291 4.259 -1.153 1.00 0.00 C ATOM 308 O ARG A 20 -2.095 4.304 -2.348 1.00 0.00 O ATOM 309 CB ARG A 20 -4.247 3.152 -0.025 1.00 0.00 C ATOM 310 CG ARG A 20 -5.477 3.443 0.838 1.00 0.00 C ATOM 311 CD ARG A 20 -5.111 3.297 2.317 1.00 0.00 C ATOM 312 NE ARG A 20 -5.988 4.268 3.027 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.658 3.891 4.083 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.196 2.937 4.845 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.792 4.467 4.376 1.00 0.00 N ATOM 0 H ARG A 20 -5.146 4.092 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.612 5.225 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.513 2.484 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.486 2.643 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.842 4.451 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.284 2.756 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.283 2.279 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.057 3.519 2.487 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.066 5.227 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.311 2.485 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.720 2.644 5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.155 5.211 3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.315 4.173 5.201 1.00 0.00 H new ATOM 329 N TYR A 21 -1.313 4.040 -0.316 1.00 0.00 N ATOM 330 CA TYR A 21 0.073 3.844 -0.833 1.00 0.00 C ATOM 331 C TYR A 21 0.572 2.424 -0.565 1.00 0.00 C ATOM 332 O TYR A 21 0.157 1.768 0.369 1.00 0.00 O ATOM 333 CB TYR A 21 0.930 4.839 -0.054 1.00 0.00 C ATOM 334 CG TYR A 21 0.545 6.247 -0.427 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.613 6.818 0.109 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.350 6.982 -1.305 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.968 8.128 -0.231 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.996 8.292 -1.645 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.163 8.866 -1.108 1.00 0.00 C ATOM 340 OH TYR A 21 -0.511 10.158 -1.443 1.00 0.00 O ATOM 0 H TYR A 21 -1.412 3.988 0.698 1.00 0.00 H new ATOM 0 HA TYR A 21 0.116 3.996 -1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.796 4.687 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.985 4.671 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.233 6.248 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.243 6.538 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.862 8.570 0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.617 8.861 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 21 0.155 10.527 -2.060 1.00 0.00 H new ATOM 350 N PHE A 22 1.489 1.964 -1.370 1.00 0.00 N ATOM 351 CA PHE A 22 2.062 0.604 -1.170 1.00 0.00 C ATOM 352 C PHE A 22 3.500 0.584 -1.687 1.00 0.00 C ATOM 353 O PHE A 22 3.886 1.400 -2.499 1.00 0.00 O ATOM 354 CB PHE A 22 1.160 -0.349 -1.959 1.00 0.00 C ATOM 355 CG PHE A 22 1.544 -0.367 -3.421 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.962 0.545 -4.311 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.472 -1.305 -3.887 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.311 0.518 -5.667 1.00 0.00 C ATOM 359 CE2 PHE A 22 2.822 -1.332 -5.242 1.00 0.00 C ATOM 360 CZ PHE A 22 2.242 -0.420 -6.133 1.00 0.00 C ATOM 0 H PHE A 22 1.869 2.477 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 22 2.097 0.309 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.237 -1.355 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.120 -0.041 -1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.245 1.268 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.919 -2.009 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.862 1.220 -6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.539 -2.056 -5.600 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.512 -0.440 -7.178 1.00 0.00 H new ATOM 370 N TYR A 23 4.300 -0.318 -1.211 1.00 0.00 N ATOM 371 CA TYR A 23 5.725 -0.354 -1.665 1.00 0.00 C ATOM 372 C TYR A 23 5.867 -1.109 -2.992 1.00 0.00 C ATOM 373 O TYR A 23 5.632 -2.298 -3.069 1.00 0.00 O ATOM 374 CB TYR A 23 6.492 -1.085 -0.562 1.00 0.00 C ATOM 375 CG TYR A 23 7.969 -0.993 -0.863 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.605 0.255 -0.865 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.702 -2.151 -1.159 1.00 0.00 C ATOM 378 CE1 TYR A 23 9.969 0.347 -1.161 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.068 -2.058 -1.458 1.00 0.00 C ATOM 380 CZ TYR A 23 10.700 -0.809 -1.458 1.00 0.00 C ATOM 381 OH TYR A 23 12.046 -0.717 -1.753 1.00 0.00 O ATOM 0 H TYR A 23 4.039 -1.032 -0.531 1.00 0.00 H new ATOM 0 HA TYR A 23 6.106 0.653 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.275 -0.640 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.180 -2.128 -0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.041 1.148 -0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.214 -3.114 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.458 1.310 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.633 -2.949 -1.688 1.00 0.00 H new ATOM 0 HH TYR A 23 12.232 0.152 -2.166 1.00 0.00 H new ATOM 391 N ASN A 24 6.274 -0.429 -4.030 1.00 0.00 N ATOM 392 CA ASN A 24 6.453 -1.111 -5.343 1.00 0.00 C ATOM 393 C ASN A 24 7.895 -1.602 -5.474 1.00 0.00 C ATOM 394 O ASN A 24 8.747 -0.911 -5.992 1.00 0.00 O ATOM 395 CB ASN A 24 6.165 -0.042 -6.396 1.00 0.00 C ATOM 396 CG ASN A 24 6.309 -0.650 -7.793 1.00 0.00 C ATOM 397 OD1 ASN A 24 6.733 -1.779 -7.935 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.970 0.057 -8.837 1.00 0.00 N ATOM 0 H ASN A 24 6.490 0.568 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 24 5.797 -1.975 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.158 0.354 -6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.854 0.794 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.061 -0.339 -9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.614 1.005 -8.717 1.00 0.00 H new ATOM 405 N ALA A 25 8.181 -2.783 -5.006 1.00 0.00 N ATOM 406 CA ALA A 25 9.574 -3.295 -5.113 1.00 0.00 C ATOM 407 C ALA A 25 10.115 -3.030 -6.520 1.00 0.00 C ATOM 408 O ALA A 25 11.306 -2.918 -6.728 1.00 0.00 O ATOM 409 CB ALA A 25 9.471 -4.795 -4.840 1.00 0.00 C ATOM 0 H ALA A 25 7.516 -3.412 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 25 10.254 -2.809 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.462 -5.245 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.060 -4.956 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.817 -5.256 -5.580 1.00 0.00 H new ATOM 415 N LYS A 26 9.243 -2.920 -7.486 1.00 0.00 N ATOM 416 CA LYS A 26 9.700 -2.653 -8.878 1.00 0.00 C ATOM 417 C LYS A 26 10.080 -1.177 -9.030 1.00 0.00 C ATOM 418 O LYS A 26 10.858 -0.812 -9.890 1.00 0.00 O ATOM 419 CB LYS A 26 8.497 -2.993 -9.761 1.00 0.00 C ATOM 420 CG LYS A 26 8.965 -3.810 -10.967 1.00 0.00 C ATOM 421 CD LYS A 26 8.748 -3.003 -12.250 1.00 0.00 C ATOM 422 CE LYS A 26 7.259 -2.688 -12.414 1.00 0.00 C ATOM 423 NZ LYS A 26 7.074 -2.467 -13.875 1.00 0.00 N ATOM 0 H LYS A 26 8.233 -3.004 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 26 10.579 -3.238 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.761 -3.558 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.008 -2.078 -10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.019 -4.064 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.414 -4.749 -11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.323 -2.078 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.108 -3.566 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.639 -3.511 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.976 -1.804 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.077 -2.245 -14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.671 -1.674 -14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.345 -3.327 -14.393 1.00 0.00 H new ATOM 437 N ALA A 27 9.536 -0.325 -8.201 1.00 0.00 N ATOM 438 CA ALA A 27 9.867 1.128 -8.300 1.00 0.00 C ATOM 439 C ALA A 27 10.991 1.490 -7.323 1.00 0.00 C ATOM 440 O ALA A 27 11.808 2.348 -7.595 1.00 0.00 O ATOM 441 CB ALA A 27 8.574 1.850 -7.919 1.00 0.00 C ATOM 0 H ALA A 27 8.878 -0.571 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 27 10.216 1.404 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.731 2.928 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.782 1.568 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.286 1.570 -6.906 1.00 0.00 H new ATOM 447 N GLY A 28 11.038 0.847 -6.188 1.00 0.00 N ATOM 448 CA GLY A 28 12.109 1.158 -5.195 1.00 0.00 C ATOM 449 C GLY A 28 11.534 2.033 -4.079 1.00 0.00 C ATOM 450 O GLY A 28 12.156 2.247 -3.059 1.00 0.00 O ATOM 0 H GLY A 28 10.382 0.120 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.511 0.235 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.936 1.672 -5.685 1.00 0.00 H new ATOM 454 N LEU A 29 10.342 2.530 -4.265 1.00 0.00 N ATOM 455 CA LEU A 29 9.704 3.379 -3.224 1.00 0.00 C ATOM 456 C LEU A 29 8.257 2.931 -3.032 1.00 0.00 C ATOM 457 O LEU A 29 7.943 1.761 -3.128 1.00 0.00 O ATOM 458 CB LEU A 29 9.741 4.804 -3.785 1.00 0.00 C ATOM 459 CG LEU A 29 11.180 5.200 -4.115 1.00 0.00 C ATOM 460 CD1 LEU A 29 11.260 5.649 -5.576 1.00 0.00 C ATOM 461 CD2 LEU A 29 11.610 6.356 -3.208 1.00 0.00 C ATOM 0 H LEU A 29 9.779 2.382 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 29 10.210 3.312 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.123 4.867 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.321 5.500 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 29 11.838 4.346 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.285 5.932 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.949 4.831 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.602 6.504 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.636 6.640 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.952 7.210 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.549 6.043 -2.166 1.00 0.00 H new ATOM 473 N CYS A 30 7.374 3.851 -2.785 1.00 0.00 N ATOM 474 CA CYS A 30 5.946 3.481 -2.610 1.00 0.00 C ATOM 475 C CYS A 30 5.097 4.194 -3.656 1.00 0.00 C ATOM 476 O CYS A 30 5.370 5.314 -4.039 1.00 0.00 O ATOM 477 CB CYS A 30 5.562 3.953 -1.212 1.00 0.00 C ATOM 478 SG CYS A 30 6.340 2.892 0.028 1.00 0.00 S ATOM 0 H CYS A 30 7.579 4.846 -2.696 1.00 0.00 H new ATOM 0 HA CYS A 30 5.787 2.409 -2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.876 4.987 -1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.479 3.930 -1.095 1.00 0.00 H new ATOM 483 N GLN A 31 4.066 3.554 -4.112 1.00 0.00 N ATOM 484 CA GLN A 31 3.185 4.187 -5.128 1.00 0.00 C ATOM 485 C GLN A 31 1.733 4.089 -4.668 1.00 0.00 C ATOM 486 O GLN A 31 1.399 3.298 -3.807 1.00 0.00 O ATOM 487 CB GLN A 31 3.420 3.385 -6.409 1.00 0.00 C ATOM 488 CG GLN A 31 4.899 3.476 -6.794 1.00 0.00 C ATOM 489 CD GLN A 31 5.034 4.145 -8.163 1.00 0.00 C ATOM 490 OE1 GLN A 31 4.047 4.454 -8.802 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.225 4.388 -8.641 1.00 0.00 N ATOM 0 H GLN A 31 3.791 2.614 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 31 3.399 5.245 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.134 2.344 -6.258 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.797 3.773 -7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.446 4.047 -6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.340 2.480 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.053 4.128 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.327 4.837 -9.551 1.00 0.00 H new ATOM 500 N THR A 32 0.868 4.893 -5.212 1.00 0.00 N ATOM 501 CA THR A 32 -0.553 4.841 -4.776 1.00 0.00 C ATOM 502 C THR A 32 -1.333 3.792 -5.573 1.00 0.00 C ATOM 503 O THR A 32 -1.104 3.593 -6.749 1.00 0.00 O ATOM 504 CB THR A 32 -1.096 6.245 -5.048 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.624 6.698 -6.309 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.620 7.199 -3.954 1.00 0.00 C ATOM 0 H THR A 32 1.080 5.580 -5.935 1.00 0.00 H new ATOM 0 HA THR A 32 -0.649 4.558 -3.728 1.00 0.00 H new ATOM 0 HB THR A 32 -2.186 6.217 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.973 7.597 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.008 8.199 -4.149 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.982 6.852 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.470 7.228 -3.945 1.00 0.00 H new ATOM 514 N PHE A 33 -2.261 3.130 -4.935 1.00 0.00 N ATOM 515 CA PHE A 33 -3.075 2.099 -5.644 1.00 0.00 C ATOM 516 C PHE A 33 -4.532 2.177 -5.183 1.00 0.00 C ATOM 517 O PHE A 33 -4.838 2.750 -4.155 1.00 0.00 O ATOM 518 CB PHE A 33 -2.453 0.748 -5.270 1.00 0.00 C ATOM 519 CG PHE A 33 -2.856 0.356 -3.863 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.150 0.859 -2.762 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.936 -0.514 -3.663 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.523 0.493 -1.464 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.307 -0.881 -2.363 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.602 -0.377 -1.264 1.00 0.00 C ATOM 0 H PHE A 33 -2.491 3.259 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.074 2.246 -6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.777 -0.017 -5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.367 0.808 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.317 1.530 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.482 -0.901 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.979 0.882 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.138 -1.554 -2.209 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.890 -0.659 -0.262 1.00 0.00 H new ATOM 534 N VAL A 34 -5.435 1.616 -5.938 1.00 0.00 N ATOM 535 CA VAL A 34 -6.874 1.671 -5.546 1.00 0.00 C ATOM 536 C VAL A 34 -7.151 0.710 -4.389 1.00 0.00 C ATOM 537 O VAL A 34 -7.110 -0.494 -4.545 1.00 0.00 O ATOM 538 CB VAL A 34 -7.650 1.240 -6.788 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.149 1.263 -6.481 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.350 2.204 -7.939 1.00 0.00 C ATOM 0 H VAL A 34 -5.241 1.122 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.163 2.667 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.351 0.232 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.706 0.956 -7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.363 0.577 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.447 2.272 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.904 1.896 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.650 3.213 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.282 2.190 -8.156 1.00 0.00 H new ATOM 550 N TYR A 35 -7.437 1.237 -3.232 1.00 0.00 N ATOM 551 CA TYR A 35 -7.721 0.363 -2.055 1.00 0.00 C ATOM 552 C TYR A 35 -9.229 0.088 -1.956 1.00 0.00 C ATOM 553 O TYR A 35 -10.043 0.910 -2.330 1.00 0.00 O ATOM 554 CB TYR A 35 -7.225 1.178 -0.858 1.00 0.00 C ATOM 555 CG TYR A 35 -7.604 0.495 0.434 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.590 -0.901 0.528 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.968 1.267 1.542 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.945 -1.524 1.731 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.319 0.646 2.743 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.310 -0.748 2.838 1.00 0.00 C ATOM 561 OH TYR A 35 -8.662 -1.358 4.024 1.00 0.00 O ATOM 0 H TYR A 35 -7.487 2.239 -3.048 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.236 -0.611 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.143 1.294 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.655 2.179 -0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.306 -1.497 -0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.978 2.344 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.937 -2.601 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.597 1.244 3.598 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.369 -0.803 4.777 1.00 0.00 H new ATOM 571 N GLY A 36 -9.609 -1.068 -1.476 1.00 0.00 N ATOM 572 CA GLY A 36 -11.064 -1.398 -1.378 1.00 0.00 C ATOM 573 C GLY A 36 -11.647 -0.863 -0.067 1.00 0.00 C ATOM 574 O GLY A 36 -12.833 -0.965 0.176 1.00 0.00 O ATOM 0 H GLY A 36 -8.976 -1.797 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.599 -0.966 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.203 -2.478 -1.431 1.00 0.00 H new ATOM 578 N ALA A 37 -10.833 -0.300 0.782 1.00 0.00 N ATOM 579 CA ALA A 37 -11.357 0.231 2.077 1.00 0.00 C ATOM 580 C ALA A 37 -11.805 -0.925 2.977 1.00 0.00 C ATOM 581 O ALA A 37 -12.468 -0.725 3.975 1.00 0.00 O ATOM 582 CB ALA A 37 -12.554 1.106 1.704 1.00 0.00 C ATOM 0 H ALA A 37 -9.830 -0.184 0.638 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.600 0.793 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.990 1.530 2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.225 1.911 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.301 0.501 1.190 1.00 0.00 H new ATOM 588 N CYS A 38 -11.450 -2.134 2.629 1.00 0.00 N ATOM 589 CA CYS A 38 -11.863 -3.298 3.468 1.00 0.00 C ATOM 590 C CYS A 38 -10.792 -4.394 3.428 1.00 0.00 C ATOM 591 O CYS A 38 -10.118 -4.583 2.434 1.00 0.00 O ATOM 592 CB CYS A 38 -13.160 -3.801 2.836 1.00 0.00 C ATOM 593 SG CYS A 38 -12.903 -4.060 1.062 1.00 0.00 S ATOM 0 H CYS A 38 -10.895 -2.365 1.805 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.995 -3.022 4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.471 -4.732 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.960 -3.079 2.997 1.00 0.00 H new ATOM 598 N ARG A 39 -10.633 -5.117 4.503 1.00 0.00 N ATOM 599 CA ARG A 39 -9.611 -6.203 4.531 1.00 0.00 C ATOM 600 C ARG A 39 -8.250 -5.659 4.086 1.00 0.00 C ATOM 601 O ARG A 39 -7.552 -6.271 3.303 1.00 0.00 O ATOM 602 CB ARG A 39 -10.117 -7.253 3.540 1.00 0.00 C ATOM 603 CG ARG A 39 -11.593 -7.553 3.814 1.00 0.00 C ATOM 604 CD ARG A 39 -12.203 -8.263 2.603 1.00 0.00 C ATOM 605 NE ARG A 39 -11.985 -9.713 2.860 1.00 0.00 N ATOM 606 CZ ARG A 39 -12.953 -10.445 3.338 1.00 0.00 C ATOM 607 NH1 ARG A 39 -13.261 -10.371 4.604 1.00 0.00 N ATOM 608 NH2 ARG A 39 -13.612 -11.251 2.552 1.00 0.00 N ATOM 0 H ARG A 39 -11.167 -5.003 5.364 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.478 -6.617 5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.993 -6.893 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.528 -8.166 3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.689 -8.178 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.132 -6.627 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.264 -8.034 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.722 -7.949 1.677 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.078 -10.135 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.745 -9.741 5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.018 -10.943 4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.370 -11.309 1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.369 -11.823 2.927 1.00 0.00 H new ATOM 622 N ALA A 40 -7.870 -4.513 4.581 1.00 0.00 N ATOM 623 CA ALA A 40 -6.555 -3.930 4.184 1.00 0.00 C ATOM 624 C ALA A 40 -5.404 -4.777 4.731 1.00 0.00 C ATOM 625 O ALA A 40 -5.489 -5.346 5.801 1.00 0.00 O ATOM 626 CB ALA A 40 -6.532 -2.538 4.817 1.00 0.00 C ATOM 0 H ALA A 40 -8.411 -3.955 5.242 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.436 -3.894 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.593 -2.042 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.365 -1.950 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.621 -2.629 5.900 1.00 0.00 H new ATOM 632 N LYS A 41 -4.323 -4.863 4.003 1.00 0.00 N ATOM 633 CA LYS A 41 -3.159 -5.666 4.479 1.00 0.00 C ATOM 634 C LYS A 41 -2.010 -4.730 4.862 1.00 0.00 C ATOM 635 O LYS A 41 -2.208 -3.554 5.093 1.00 0.00 O ATOM 636 CB LYS A 41 -2.761 -6.541 3.291 1.00 0.00 C ATOM 637 CG LYS A 41 -3.996 -7.256 2.742 1.00 0.00 C ATOM 638 CD LYS A 41 -3.627 -7.995 1.455 1.00 0.00 C ATOM 639 CE LYS A 41 -4.619 -9.138 1.221 1.00 0.00 C ATOM 640 NZ LYS A 41 -4.165 -10.227 2.129 1.00 0.00 N ATOM 0 H LYS A 41 -4.195 -4.411 3.098 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.399 -6.265 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.307 -5.929 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.013 -7.271 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.380 -7.960 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.789 -6.535 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.643 -7.306 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.613 -8.388 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.639 -8.830 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.611 -9.462 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.881 -11.053 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.355 -9.896 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.942 -10.494 2.767 1.00 0.00 H new ATOM 654 N ARG A 42 -0.807 -5.236 4.926 1.00 0.00 N ATOM 655 CA ARG A 42 0.344 -4.362 5.293 1.00 0.00 C ATOM 656 C ARG A 42 0.817 -3.563 4.073 1.00 0.00 C ATOM 657 O ARG A 42 1.458 -2.538 4.194 1.00 0.00 O ATOM 658 CB ARG A 42 1.437 -5.326 5.787 1.00 0.00 C ATOM 659 CG ARG A 42 2.431 -5.644 4.690 1.00 0.00 C ATOM 660 CD ARG A 42 1.776 -6.443 3.577 1.00 0.00 C ATOM 661 NE ARG A 42 1.976 -7.874 3.944 1.00 0.00 N ATOM 662 CZ ARG A 42 1.559 -8.817 3.142 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.270 -9.152 2.101 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.428 -9.425 3.381 1.00 0.00 N ATOM 0 H ARG A 42 -0.573 -6.211 4.741 1.00 0.00 H new ATOM 0 HA ARG A 42 0.082 -3.630 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.959 -4.883 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.977 -6.248 6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.840 -4.718 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.267 -6.208 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.716 -6.204 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.231 -6.218 2.612 1.00 0.00 H new ATOM 0 HE ARG A 42 2.438 -8.117 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.153 -8.677 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.943 -9.889 1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.130 -9.163 4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.103 -10.161 2.755 1.00 0.00 H new ATOM 678 N ASN A 43 0.516 -4.042 2.905 1.00 0.00 N ATOM 679 CA ASN A 43 0.948 -3.332 1.671 1.00 0.00 C ATOM 680 C ASN A 43 -0.150 -2.360 1.245 1.00 0.00 C ATOM 681 O ASN A 43 -0.621 -2.374 0.125 1.00 0.00 O ATOM 682 CB ASN A 43 1.132 -4.432 0.625 1.00 0.00 C ATOM 683 CG ASN A 43 1.954 -3.892 -0.547 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.405 -3.428 -1.526 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.255 -3.936 -0.489 1.00 0.00 N ATOM 0 H ASN A 43 -0.014 -4.899 2.748 1.00 0.00 H new ATOM 0 HA ASN A 43 1.863 -2.756 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.635 -5.291 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.161 -4.779 0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.812 -3.581 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.716 -4.326 0.333 1.00 0.00 H new ATOM 692 N ASN A 44 -0.560 -1.523 2.149 1.00 0.00 N ATOM 693 CA ASN A 44 -1.631 -0.536 1.848 1.00 0.00 C ATOM 694 C ASN A 44 -1.540 0.591 2.875 1.00 0.00 C ATOM 695 O ASN A 44 -2.317 0.668 3.806 1.00 0.00 O ATOM 696 CB ASN A 44 -2.933 -1.323 2.000 1.00 0.00 C ATOM 697 CG ASN A 44 -4.121 -0.367 2.060 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.955 0.835 2.024 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.326 -0.859 2.152 1.00 0.00 N ATOM 0 H ASN A 44 -0.194 -1.479 3.100 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.558 -0.088 0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.051 -2.010 1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.897 -1.928 2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.131 -0.233 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.463 -1.869 2.182 1.00 0.00 H new ATOM 706 N PHE A 45 -0.572 1.451 2.722 1.00 0.00 N ATOM 707 CA PHE A 45 -0.390 2.559 3.698 1.00 0.00 C ATOM 708 C PHE A 45 -1.283 3.750 3.328 1.00 0.00 C ATOM 709 O PHE A 45 -1.370 4.147 2.183 1.00 0.00 O ATOM 710 CB PHE A 45 1.099 2.911 3.600 1.00 0.00 C ATOM 711 CG PHE A 45 1.923 1.633 3.638 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.306 1.074 4.867 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.300 1.004 2.441 1.00 0.00 C ATOM 714 CE1 PHE A 45 3.062 -0.111 4.898 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.057 -0.181 2.472 1.00 0.00 C ATOM 716 CZ PHE A 45 3.438 -0.741 3.701 1.00 0.00 C ATOM 0 H PHE A 45 0.104 1.433 1.958 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.672 2.283 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.295 3.456 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.384 3.566 4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.020 1.555 5.791 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.008 1.431 1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.354 -0.538 5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.346 -0.661 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.018 -1.652 3.726 1.00 0.00 H new ATOM 726 N LYS A 46 -1.960 4.308 4.297 1.00 0.00 N ATOM 727 CA LYS A 46 -2.871 5.460 4.027 1.00 0.00 C ATOM 728 C LYS A 46 -2.105 6.651 3.444 1.00 0.00 C ATOM 729 O LYS A 46 -2.682 7.525 2.826 1.00 0.00 O ATOM 730 CB LYS A 46 -3.454 5.823 5.394 1.00 0.00 C ATOM 731 CG LYS A 46 -4.138 7.190 5.312 1.00 0.00 C ATOM 732 CD LYS A 46 -5.299 7.119 4.319 1.00 0.00 C ATOM 733 CE LYS A 46 -5.823 8.530 4.043 1.00 0.00 C ATOM 734 NZ LYS A 46 -6.273 9.040 5.369 1.00 0.00 N ATOM 0 H LYS A 46 -1.920 4.012 5.272 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.639 5.204 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.171 5.064 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.663 5.845 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.504 7.485 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.422 7.949 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.969 6.654 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.098 6.495 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.044 9.164 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.645 8.513 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.121 9.629 5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.497 8.238 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.516 9.610 5.797 1.00 0.00 H new ATOM 748 N SER A 47 -0.818 6.705 3.638 1.00 0.00 N ATOM 749 CA SER A 47 -0.038 7.856 3.095 1.00 0.00 C ATOM 750 C SER A 47 1.326 7.392 2.587 1.00 0.00 C ATOM 751 O SER A 47 1.800 6.328 2.931 1.00 0.00 O ATOM 752 CB SER A 47 0.125 8.810 4.276 1.00 0.00 C ATOM 753 OG SER A 47 0.913 8.185 5.279 1.00 0.00 O ATOM 0 H SER A 47 -0.273 6.008 4.145 1.00 0.00 H new ATOM 0 HA SER A 47 -0.539 8.329 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.600 9.735 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.852 9.078 4.679 1.00 0.00 H new ATOM 0 HG SER A 47 1.021 8.795 6.038 1.00 0.00 H new ATOM 759 N ALA A 48 1.965 8.190 1.777 1.00 0.00 N ATOM 760 CA ALA A 48 3.304 7.799 1.257 1.00 0.00 C ATOM 761 C ALA A 48 4.299 7.762 2.415 1.00 0.00 C ATOM 762 O ALA A 48 5.275 7.039 2.391 1.00 0.00 O ATOM 763 CB ALA A 48 3.679 8.891 0.254 1.00 0.00 C ATOM 0 H ALA A 48 1.619 9.093 1.454 1.00 0.00 H new ATOM 0 HA ALA A 48 3.307 6.814 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.657 8.672 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.935 8.925 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.712 9.855 0.761 1.00 0.00 H new ATOM 769 N GLU A 49 4.048 8.536 3.435 1.00 0.00 N ATOM 770 CA GLU A 49 4.965 8.551 4.610 1.00 0.00 C ATOM 771 C GLU A 49 4.757 7.289 5.447 1.00 0.00 C ATOM 772 O GLU A 49 5.656 6.817 6.112 1.00 0.00 O ATOM 773 CB GLU A 49 4.572 9.796 5.409 1.00 0.00 C ATOM 774 CG GLU A 49 4.992 11.050 4.641 1.00 0.00 C ATOM 775 CD GLU A 49 4.748 12.286 5.509 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.836 12.246 6.319 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.477 13.251 5.350 1.00 0.00 O ATOM 0 H GLU A 49 3.245 9.161 3.506 1.00 0.00 H new ATOM 0 HA GLU A 49 6.015 8.574 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.496 9.806 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.051 9.779 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.045 10.986 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.426 11.127 3.712 1.00 0.00 H new ATOM 784 N ASP A 50 3.578 6.736 5.414 1.00 0.00 N ATOM 785 CA ASP A 50 3.315 5.500 6.202 1.00 0.00 C ATOM 786 C ASP A 50 3.945 4.304 5.494 1.00 0.00 C ATOM 787 O ASP A 50 4.380 3.356 6.116 1.00 0.00 O ATOM 788 CB ASP A 50 1.793 5.367 6.239 1.00 0.00 C ATOM 789 CG ASP A 50 1.223 6.332 7.280 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.003 6.894 8.029 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.013 6.493 7.309 1.00 0.00 O ATOM 0 H ASP A 50 2.785 7.086 4.876 1.00 0.00 H new ATOM 0 HA ASP A 50 3.736 5.542 7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.374 5.586 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.512 4.343 6.485 1.00 0.00 H new ATOM 796 N CYS A 51 4.009 4.351 4.193 1.00 0.00 N ATOM 797 CA CYS A 51 4.624 3.227 3.433 1.00 0.00 C ATOM 798 C CYS A 51 6.147 3.366 3.461 1.00 0.00 C ATOM 799 O CYS A 51 6.866 2.409 3.667 1.00 0.00 O ATOM 800 CB CYS A 51 4.102 3.371 2.005 1.00 0.00 C ATOM 801 SG CYS A 51 4.779 2.038 0.984 1.00 0.00 S ATOM 0 H CYS A 51 3.661 5.121 3.622 1.00 0.00 H new ATOM 0 HA CYS A 51 4.374 2.253 3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.013 3.333 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.390 4.340 1.596 1.00 0.00 H new ATOM 806 N MET A 52 6.641 4.558 3.254 1.00 0.00 N ATOM 807 CA MET A 52 8.119 4.765 3.267 1.00 0.00 C ATOM 808 C MET A 52 8.656 4.659 4.696 1.00 0.00 C ATOM 809 O MET A 52 9.644 3.999 4.945 1.00 0.00 O ATOM 810 CB MET A 52 8.335 6.172 2.706 1.00 0.00 C ATOM 811 CG MET A 52 8.702 6.074 1.225 1.00 0.00 C ATOM 812 SD MET A 52 10.276 6.920 0.938 1.00 0.00 S ATOM 813 CE MET A 52 11.175 5.508 0.248 1.00 0.00 C ATOM 0 H MET A 52 6.086 5.396 3.077 1.00 0.00 H new ATOM 0 HA MET A 52 8.645 4.014 2.678 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.431 6.768 2.830 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.128 6.678 3.256 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.779 5.028 0.927 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.919 6.523 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.116 5.851 -0.182 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.379 4.785 1.038 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.572 5.036 -0.528 1.00 0.00 H new ATOM 823 N ARG A 53 8.014 5.290 5.641 1.00 0.00 N ATOM 824 CA ARG A 53 8.506 5.195 7.045 1.00 0.00 C ATOM 825 C ARG A 53 8.474 3.731 7.490 1.00 0.00 C ATOM 826 O ARG A 53 9.073 3.355 8.477 1.00 0.00 O ATOM 827 CB ARG A 53 7.538 6.044 7.875 1.00 0.00 C ATOM 828 CG ARG A 53 6.235 5.276 8.108 1.00 0.00 C ATOM 829 CD ARG A 53 6.370 4.415 9.366 1.00 0.00 C ATOM 830 NE ARG A 53 4.975 4.209 9.847 1.00 0.00 N ATOM 831 CZ ARG A 53 4.762 3.797 11.067 1.00 0.00 C ATOM 832 NH1 ARG A 53 5.429 4.320 12.059 1.00 0.00 N ATOM 833 NH2 ARG A 53 3.886 2.858 11.295 1.00 0.00 N ATOM 0 H ARG A 53 7.180 5.861 5.505 1.00 0.00 H new ATOM 0 HA ARG A 53 9.531 5.548 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.994 6.300 8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.330 6.982 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.404 5.973 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.011 4.647 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.854 3.464 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.978 4.913 10.121 1.00 0.00 H new ATOM 0 HE ARG A 53 4.188 4.390 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.117 5.051 11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.262 3.998 13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.367 2.445 10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.720 2.536 12.249 1.00 0.00 H new ATOM 847 N THR A 54 7.777 2.904 6.758 1.00 0.00 N ATOM 848 CA THR A 54 7.699 1.463 7.122 1.00 0.00 C ATOM 849 C THR A 54 8.755 0.666 6.350 1.00 0.00 C ATOM 850 O THR A 54 9.555 -0.044 6.925 1.00 0.00 O ATOM 851 CB THR A 54 6.291 1.021 6.709 1.00 0.00 C ATOM 852 OG1 THR A 54 5.328 1.728 7.477 1.00 0.00 O ATOM 853 CG2 THR A 54 6.142 -0.475 6.957 1.00 0.00 C ATOM 0 H THR A 54 7.257 3.167 5.921 1.00 0.00 H new ATOM 0 HA THR A 54 7.884 1.297 8.183 1.00 0.00 H new ATOM 0 HB THR A 54 6.136 1.234 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.773 2.275 6.883 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.142 -0.794 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.882 -1.017 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.295 -0.685 8.015 1.00 0.00 H new ATOM 861 N CYS A 55 8.753 0.773 5.050 1.00 0.00 N ATOM 862 CA CYS A 55 9.747 0.014 4.235 1.00 0.00 C ATOM 863 C CYS A 55 10.705 0.972 3.520 1.00 0.00 C ATOM 864 O CYS A 55 11.262 0.649 2.490 1.00 0.00 O ATOM 865 CB CYS A 55 8.904 -0.749 3.218 1.00 0.00 C ATOM 866 SG CYS A 55 7.659 -1.729 4.091 1.00 0.00 S ATOM 0 H CYS A 55 8.106 1.353 4.515 1.00 0.00 H new ATOM 0 HA CYS A 55 10.364 -0.645 4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.421 -0.052 2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.539 -1.399 2.616 1.00 0.00 H new