USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 245 hydrogens (21 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 NoAdj-H: A 2 HYP H : A 2 HYP N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 11 HYP H : A 11 HYP N : A 10 LYS C :(H bumps) USER MOD NoAdj-H: A 29 HYP H : A 29 HYP N : A 28 ALA C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0.926 (180deg=0.743) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -7.49! C(o=-7.5!,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : A 32 ASN : amide:sc= -2.47! C(o=-2.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.961 9.385 6.784 1.00 0.00 N ATOM 2 CA GLY A 1 6.261 8.413 7.677 1.00 0.00 C ATOM 3 C GLY A 1 6.142 7.060 6.956 1.00 0.00 C ATOM 4 O GLY A 1 5.557 6.986 5.891 1.00 0.00 O ATOM 0 H1 GLY A 1 7.044 10.302 7.267 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.910 9.026 6.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.416 9.504 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.813 8.295 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.271 8.788 7.938 1.00 0.00 H new HETATM 10 N HYP A 2 6.723 6.035 7.548 1.00 0.00 N HETATM 11 CA HYP A 2 6.689 4.680 6.940 1.00 0.00 C HETATM 12 C HYP A 2 5.335 3.998 7.169 1.00 0.00 C HETATM 13 O HYP A 2 4.489 4.497 7.895 1.00 0.00 O HETATM 14 CB HYP A 2 7.789 3.932 7.684 1.00 0.00 C HETATM 15 CG HYP A 2 7.924 4.617 9.011 1.00 0.00 C HETATM 16 CD HYP A 2 7.452 6.042 8.821 1.00 0.00 C HETATM 17 OD1 HYP A 2 9.275 4.579 9.501 1.00 0.00 O HETATM 0 HD23 HYP A 2 8.293 6.735 8.790 1.00 0.00 H new HETATM 0 HD22 HYP A 2 6.809 6.357 9.642 1.00 0.00 H new HETATM 0 HG HYP A 2 7.322 4.104 9.761 1.00 0.00 H new HETATM 0 HD1 HYP A 2 9.322 5.037 10.366 1.00 0.00 H new HETATM 0 HB3 HYP A 2 7.530 2.881 7.811 1.00 0.00 H new HETATM 0 HB2 HYP A 2 8.727 3.964 7.130 1.00 0.00 H new HETATM 0 HA HYP A 2 6.832 4.704 5.860 1.00 0.00 H new ATOM 25 N SER A 3 5.143 2.851 6.570 1.00 0.00 N ATOM 26 CA SER A 3 3.863 2.093 6.745 1.00 0.00 C ATOM 27 C SER A 3 4.191 0.635 7.140 1.00 0.00 C ATOM 28 O SER A 3 5.160 0.386 7.841 1.00 0.00 O ATOM 29 CB SER A 3 3.168 2.151 5.376 1.00 0.00 C ATOM 30 OG SER A 3 3.490 3.377 4.721 1.00 0.00 O ATOM 0 H SER A 3 5.825 2.401 5.960 1.00 0.00 H new ATOM 0 HA SER A 3 3.225 2.508 7.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.483 1.307 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.089 2.068 5.502 1.00 0.00 H new ATOM 0 HG SER A 3 3.046 3.408 3.848 1.00 0.00 H new ATOM 36 N PHE A 4 3.414 -0.332 6.689 1.00 0.00 N ATOM 37 CA PHE A 4 3.705 -1.757 7.025 1.00 0.00 C ATOM 38 C PHE A 4 3.930 -2.552 5.732 1.00 0.00 C ATOM 39 O PHE A 4 3.016 -2.777 4.967 1.00 0.00 O ATOM 40 CB PHE A 4 2.460 -2.264 7.757 1.00 0.00 C ATOM 41 CG PHE A 4 2.877 -2.974 9.024 1.00 0.00 C ATOM 42 CD1 PHE A 4 3.384 -4.279 8.964 1.00 0.00 C ATOM 43 CD2 PHE A 4 2.741 -2.332 10.260 1.00 0.00 C ATOM 44 CE1 PHE A 4 3.762 -4.937 10.138 1.00 0.00 C ATOM 45 CE2 PHE A 4 3.117 -2.992 11.437 1.00 0.00 C ATOM 46 CZ PHE A 4 3.624 -4.295 11.375 1.00 0.00 C ATOM 0 H PHE A 4 2.592 -0.187 6.103 1.00 0.00 H new ATOM 0 HA PHE A 4 4.600 -1.866 7.637 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.800 -1.430 7.995 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.898 -2.942 7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.483 -4.777 8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.346 -1.328 10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.160 -5.940 10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.016 -2.496 12.391 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.909 -4.806 12.283 1.00 0.00 H new ATOM 56 N CYS A 5 5.143 -2.967 5.475 1.00 0.00 N ATOM 57 CA CYS A 5 5.411 -3.733 4.221 1.00 0.00 C ATOM 58 C CYS A 5 4.872 -5.147 4.338 1.00 0.00 C ATOM 59 O CYS A 5 4.830 -5.710 5.412 1.00 0.00 O ATOM 60 CB CYS A 5 6.920 -3.801 4.072 1.00 0.00 C ATOM 61 SG CYS A 5 7.551 -2.252 3.375 1.00 0.00 S ATOM 0 H CYS A 5 5.954 -2.811 6.074 1.00 0.00 H new ATOM 0 HA CYS A 5 4.932 -3.250 3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.381 -3.986 5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.192 -4.636 3.426 1.00 0.00 H new ATOM 66 N LYS A 6 4.483 -5.724 3.236 1.00 0.00 N ATOM 67 CA LYS A 6 3.956 -7.115 3.252 1.00 0.00 C ATOM 68 C LYS A 6 3.819 -7.654 1.827 1.00 0.00 C ATOM 69 O LYS A 6 4.305 -8.722 1.514 1.00 0.00 O ATOM 70 CB LYS A 6 2.586 -7.004 3.918 1.00 0.00 C ATOM 71 CG LYS A 6 2.727 -7.291 5.414 1.00 0.00 C ATOM 72 CD LYS A 6 1.677 -8.318 5.863 1.00 0.00 C ATOM 73 CE LYS A 6 0.291 -7.661 5.884 1.00 0.00 C ATOM 74 NZ LYS A 6 -0.504 -8.360 4.835 1.00 0.00 N ATOM 0 H LYS A 6 4.508 -5.286 2.315 1.00 0.00 H new ATOM 0 HA LYS A 6 4.617 -7.801 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.174 -6.007 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.890 -7.710 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.728 -7.668 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.608 -6.368 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.676 -9.172 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.926 -8.698 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.176 -7.765 6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.361 -6.593 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.439 -7.912 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.008 -8.296 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.621 -9.360 5.096 1.00 0.00 H new ATOM 88 N ALA A 7 3.162 -6.920 0.963 1.00 0.00 N ATOM 89 CA ALA A 7 2.988 -7.383 -0.451 1.00 0.00 C ATOM 90 C ALA A 7 2.374 -6.283 -1.328 1.00 0.00 C ATOM 91 O ALA A 7 1.944 -5.251 -0.845 1.00 0.00 O ATOM 92 CB ALA A 7 2.036 -8.582 -0.369 1.00 0.00 C ATOM 0 H ALA A 7 2.737 -6.017 1.176 1.00 0.00 H new ATOM 0 HA ALA A 7 3.946 -7.641 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.861 -8.976 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.481 -9.358 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.089 -8.265 0.067 1.00 0.00 H new ATOM 98 N ASP A 8 2.322 -6.515 -2.616 1.00 0.00 N ATOM 99 CA ASP A 8 1.733 -5.528 -3.560 1.00 0.00 C ATOM 100 C ASP A 8 0.955 -6.285 -4.642 1.00 0.00 C ATOM 101 O ASP A 8 1.078 -7.493 -4.763 1.00 0.00 O ATOM 102 CB ASP A 8 2.927 -4.780 -4.169 1.00 0.00 C ATOM 103 CG ASP A 8 2.487 -3.388 -4.625 1.00 0.00 C ATOM 104 OD1 ASP A 8 1.851 -3.296 -5.661 1.00 0.00 O ATOM 105 OD2 ASP A 8 2.805 -2.438 -3.939 1.00 0.00 O ATOM 0 H ASP A 8 2.671 -7.366 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 8 1.044 -4.835 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.728 -4.696 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.326 -5.340 -5.014 1.00 0.00 H new ATOM 110 N GLU A 9 0.140 -5.594 -5.408 1.00 0.00 N ATOM 111 CA GLU A 9 -0.677 -6.265 -6.475 1.00 0.00 C ATOM 112 C GLU A 9 -1.535 -7.400 -5.871 1.00 0.00 C ATOM 113 O GLU A 9 -2.004 -8.282 -6.571 1.00 0.00 O ATOM 114 CB GLU A 9 0.325 -6.826 -7.498 1.00 0.00 C ATOM 115 CG GLU A 9 0.855 -5.686 -8.385 1.00 0.00 C ATOM 116 CD GLU A 9 0.744 -6.074 -9.863 1.00 0.00 C ATOM 117 OE1 GLU A 9 1.140 -7.173 -10.202 1.00 0.00 O ATOM 118 OE2 GLU A 9 0.270 -5.260 -10.637 1.00 0.00 O ATOM 0 H GLU A 9 0.005 -4.585 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.366 -5.563 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.153 -7.312 -6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.157 -7.585 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.288 -4.774 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.894 -5.472 -8.134 1.00 0.00 H new ATOM 125 N LYS A 10 -1.752 -7.367 -4.576 1.00 0.00 N ATOM 126 CA LYS A 10 -2.586 -8.410 -3.915 1.00 0.00 C ATOM 127 C LYS A 10 -3.792 -7.735 -3.264 1.00 0.00 C ATOM 128 O LYS A 10 -3.688 -6.612 -2.805 1.00 0.00 O ATOM 129 CB LYS A 10 -1.678 -9.051 -2.859 1.00 0.00 C ATOM 130 CG LYS A 10 -0.776 -10.097 -3.527 1.00 0.00 C ATOM 131 CD LYS A 10 0.167 -10.705 -2.481 1.00 0.00 C ATOM 132 CE LYS A 10 0.281 -12.219 -2.702 1.00 0.00 C ATOM 133 NZ LYS A 10 1.632 -12.593 -2.194 1.00 0.00 N ATOM 0 H LYS A 10 -1.381 -6.654 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.962 -9.160 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.070 -8.287 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.281 -9.519 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.384 -10.879 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.198 -9.636 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.151 -10.243 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.208 -10.502 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.502 -12.754 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.174 -12.471 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.777 -13.616 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.359 -12.075 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.703 -12.350 -1.185 1.00 0.00 H new HETATM 147 N HYP A 11 -4.908 -8.419 -3.269 1.00 0.00 N HETATM 148 CA HYP A 11 -6.153 -7.853 -2.688 1.00 0.00 C HETATM 149 C HYP A 11 -6.078 -7.689 -1.165 1.00 0.00 C HETATM 150 O HYP A 11 -5.480 -8.487 -0.465 1.00 0.00 O HETATM 151 CB HYP A 11 -7.224 -8.858 -3.083 1.00 0.00 C HETATM 152 CG HYP A 11 -6.494 -10.144 -3.286 1.00 0.00 C HETATM 153 CD HYP A 11 -5.123 -9.768 -3.797 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.179 -10.994 -4.211 1.00 0.00 O HETATM 0 HD23 HYP A 11 -5.085 -9.781 -4.886 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -4.361 -10.462 -3.443 1.00 0.00 H new HETATM 0 HG HYP A 11 -6.428 -10.710 -2.357 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.676 -11.827 -4.324 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -7.982 -8.953 -2.305 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.739 -8.549 -3.993 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.350 -6.846 -3.057 1.00 0.00 H new ATOM 162 N CYS A 12 -6.703 -6.651 -0.662 1.00 0.00 N ATOM 163 CA CYS A 12 -6.729 -6.372 0.810 1.00 0.00 C ATOM 164 C CYS A 12 -7.627 -5.147 1.054 1.00 0.00 C ATOM 165 O CYS A 12 -8.063 -4.513 0.112 1.00 0.00 O ATOM 166 CB CYS A 12 -5.266 -6.109 1.206 1.00 0.00 C ATOM 167 SG CYS A 12 -5.059 -4.420 1.833 1.00 0.00 S ATOM 0 H CYS A 12 -7.209 -5.968 -1.225 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.133 -7.192 1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.957 -6.825 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.618 -6.263 0.343 1.00 0.00 H new ATOM 172 N GLU A 13 -7.924 -4.813 2.284 1.00 0.00 N ATOM 173 CA GLU A 13 -8.810 -3.630 2.543 1.00 0.00 C ATOM 174 C GLU A 13 -8.063 -2.524 3.303 1.00 0.00 C ATOM 175 O GLU A 13 -8.082 -1.372 2.911 1.00 0.00 O ATOM 176 CB GLU A 13 -9.963 -4.179 3.393 1.00 0.00 C ATOM 177 CG GLU A 13 -11.094 -3.148 3.464 1.00 0.00 C ATOM 178 CD GLU A 13 -12.306 -3.647 2.677 1.00 0.00 C ATOM 179 OE1 GLU A 13 -12.156 -3.920 1.502 1.00 0.00 O ATOM 180 OE2 GLU A 13 -13.364 -3.749 3.266 1.00 0.00 O ATOM 0 H GLU A 13 -7.596 -5.302 3.117 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.155 -3.178 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.333 -5.109 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.608 -4.412 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.372 -2.972 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.754 -2.195 3.059 1.00 0.00 H new ATOM 187 N TYR A 14 -7.421 -2.855 4.395 1.00 0.00 N ATOM 188 CA TYR A 14 -6.692 -1.810 5.185 1.00 0.00 C ATOM 189 C TYR A 14 -5.515 -1.251 4.374 1.00 0.00 C ATOM 190 O TYR A 14 -4.675 -1.986 3.889 1.00 0.00 O ATOM 191 CB TYR A 14 -6.201 -2.522 6.452 1.00 0.00 C ATOM 192 CG TYR A 14 -7.289 -2.490 7.510 1.00 0.00 C ATOM 193 CD1 TYR A 14 -8.601 -2.877 7.188 1.00 0.00 C ATOM 194 CD2 TYR A 14 -6.987 -2.079 8.812 1.00 0.00 C ATOM 195 CE1 TYR A 14 -9.601 -2.844 8.163 1.00 0.00 C ATOM 196 CE2 TYR A 14 -7.991 -2.046 9.790 1.00 0.00 C ATOM 197 CZ TYR A 14 -9.299 -2.432 9.464 1.00 0.00 C ATOM 198 OH TYR A 14 -10.290 -2.405 10.423 1.00 0.00 O ATOM 0 H TYR A 14 -7.369 -3.800 4.775 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.331 -0.962 5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.935 -3.553 6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.300 -2.037 6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.837 -3.201 6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.979 -1.786 9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.609 -3.137 7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.757 -1.723 10.794 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.914 -2.096 11.274 1.00 0.00 H new ATOM 208 N HIS A 15 -5.450 0.050 4.216 1.00 0.00 N ATOM 209 CA HIS A 15 -4.332 0.655 3.426 1.00 0.00 C ATOM 210 C HIS A 15 -2.982 0.390 4.103 1.00 0.00 C ATOM 211 O HIS A 15 -1.990 0.156 3.438 1.00 0.00 O ATOM 212 CB HIS A 15 -4.605 2.158 3.376 1.00 0.00 C ATOM 213 CG HIS A 15 -5.737 2.451 2.428 1.00 0.00 C ATOM 214 ND1 HIS A 15 -7.059 2.474 2.840 1.00 0.00 N ATOM 215 CD2 HIS A 15 -5.757 2.740 1.084 1.00 0.00 C ATOM 216 CE1 HIS A 15 -7.808 2.769 1.768 1.00 0.00 C ATOM 217 NE2 HIS A 15 -7.068 2.946 0.673 1.00 0.00 N ATOM 0 H HIS A 15 -6.121 0.716 4.599 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.284 0.222 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.852 2.523 4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.707 2.687 3.056 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.400 2.299 3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.887 2.798 0.446 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.884 2.853 1.789 1.00 0.00 H new ATOM 225 N ALA A 16 -2.938 0.433 5.415 1.00 0.00 N ATOM 226 CA ALA A 16 -1.649 0.191 6.147 1.00 0.00 C ATOM 227 C ALA A 16 -1.189 -1.274 6.039 1.00 0.00 C ATOM 228 O ALA A 16 -0.104 -1.606 6.467 1.00 0.00 O ATOM 229 CB ALA A 16 -1.948 0.539 7.603 1.00 0.00 C ATOM 0 H ALA A 16 -3.741 0.626 6.013 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.843 0.791 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.052 0.387 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.259 1.581 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.747 -0.103 7.974 1.00 0.00 H new ATOM 235 N ASP A 17 -1.992 -2.153 5.479 1.00 0.00 N ATOM 236 CA ASP A 17 -1.561 -3.589 5.355 1.00 0.00 C ATOM 237 C ASP A 17 -0.305 -3.703 4.471 1.00 0.00 C ATOM 238 O ASP A 17 0.439 -4.666 4.560 1.00 0.00 O ATOM 239 CB ASP A 17 -2.744 -4.309 4.703 1.00 0.00 C ATOM 240 CG ASP A 17 -2.766 -5.763 5.166 1.00 0.00 C ATOM 241 OD1 ASP A 17 -3.236 -6.009 6.264 1.00 0.00 O ATOM 242 OD2 ASP A 17 -2.308 -6.613 4.423 1.00 0.00 O ATOM 0 H ASP A 17 -2.918 -1.943 5.106 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.304 -4.021 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.678 -3.815 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.660 -4.262 3.617 1.00 0.00 H new ATOM 247 N CYS A 18 -0.055 -2.740 3.618 1.00 0.00 N ATOM 248 CA CYS A 18 1.153 -2.813 2.744 1.00 0.00 C ATOM 249 C CYS A 18 1.921 -1.488 2.794 1.00 0.00 C ATOM 250 O CYS A 18 1.446 -0.509 3.336 1.00 0.00 O ATOM 251 CB CYS A 18 0.606 -3.056 1.337 1.00 0.00 C ATOM 252 SG CYS A 18 -0.400 -4.566 1.329 1.00 0.00 S ATOM 0 H CYS A 18 -0.634 -1.910 3.491 1.00 0.00 H new ATOM 0 HA CYS A 18 1.844 -3.596 3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.005 -2.205 1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.428 -3.151 0.627 1.00 0.00 H new ATOM 257 N CYS A 19 3.106 -1.446 2.223 1.00 0.00 N ATOM 258 CA CYS A 19 3.908 -0.176 2.234 1.00 0.00 C ATOM 259 C CYS A 19 3.517 0.724 1.056 1.00 0.00 C ATOM 260 O CYS A 19 4.356 1.308 0.399 1.00 0.00 O ATOM 261 CB CYS A 19 5.357 -0.619 2.081 1.00 0.00 C ATOM 262 SG CYS A 19 6.081 -0.910 3.715 1.00 0.00 S ATOM 0 H CYS A 19 3.551 -2.234 1.752 1.00 0.00 H new ATOM 0 HA CYS A 19 3.739 0.396 3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.408 -1.529 1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.927 0.144 1.551 1.00 0.00 H new ATOM 267 N ASN A 20 2.252 0.830 0.789 1.00 0.00 N ATOM 268 CA ASN A 20 1.775 1.681 -0.340 1.00 0.00 C ATOM 269 C ASN A 20 0.347 2.185 -0.052 1.00 0.00 C ATOM 270 O ASN A 20 0.151 3.063 0.762 1.00 0.00 O ATOM 271 CB ASN A 20 1.829 0.785 -1.594 1.00 0.00 C ATOM 272 CG ASN A 20 1.443 -0.664 -1.249 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.301 -0.940 -0.945 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.348 -1.601 -1.262 1.00 0.00 N ATOM 0 H ASN A 20 1.513 0.358 1.310 1.00 0.00 H new ATOM 0 HA ASN A 20 2.391 2.569 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.152 1.175 -2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.832 0.807 -2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.094 -2.558 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.310 -1.377 -1.516 1.00 0.00 H new ATOM 281 N CYS A 21 -0.658 1.645 -0.695 1.00 0.00 N ATOM 282 CA CYS A 21 -2.050 2.120 -0.433 1.00 0.00 C ATOM 283 C CYS A 21 -3.063 1.078 -0.904 1.00 0.00 C ATOM 284 O CYS A 21 -3.286 0.906 -2.084 1.00 0.00 O ATOM 285 CB CYS A 21 -2.186 3.420 -1.245 1.00 0.00 C ATOM 286 SG CYS A 21 -3.605 4.383 -0.654 1.00 0.00 S ATOM 0 H CYS A 21 -0.575 0.900 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.239 2.283 0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.274 4.010 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.311 3.186 -2.302 1.00 0.00 H new ATOM 291 N CYS A 22 -3.679 0.375 0.006 1.00 0.00 N ATOM 292 CA CYS A 22 -4.691 -0.655 -0.405 1.00 0.00 C ATOM 293 C CYS A 22 -6.014 0.025 -0.745 1.00 0.00 C ATOM 294 O CYS A 22 -6.804 0.324 0.124 1.00 0.00 O ATOM 295 CB CYS A 22 -4.875 -1.588 0.796 1.00 0.00 C ATOM 296 SG CYS A 22 -5.157 -3.265 0.182 1.00 0.00 S ATOM 0 H CYS A 22 -3.531 0.464 1.011 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.361 -1.206 -1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.992 -1.562 1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.718 -1.261 1.404 1.00 0.00 H new ATOM 301 N LEU A 23 -6.268 0.262 -1.996 1.00 0.00 N ATOM 302 CA LEU A 23 -7.551 0.928 -2.377 1.00 0.00 C ATOM 303 C LEU A 23 -8.632 -0.126 -2.611 1.00 0.00 C ATOM 304 O LEU A 23 -8.486 -1.233 -2.149 1.00 0.00 O ATOM 305 CB LEU A 23 -7.226 1.717 -3.645 1.00 0.00 C ATOM 306 CG LEU A 23 -7.314 3.219 -3.354 1.00 0.00 C ATOM 307 CD1 LEU A 23 -6.241 3.611 -2.331 1.00 0.00 C ATOM 308 CD2 LEU A 23 -7.085 4.001 -4.650 1.00 0.00 C ATOM 0 H LEU A 23 -5.650 0.027 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.938 1.588 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.226 1.463 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.922 1.449 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.300 3.451 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.306 4.680 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.398 3.054 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.254 3.378 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.147 5.070 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.098 3.764 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.846 3.726 -5.380 1.00 0.00 H new ATOM 320 N SER A 24 -9.708 0.231 -3.303 1.00 0.00 N ATOM 321 CA SER A 24 -10.860 -0.715 -3.583 1.00 0.00 C ATOM 322 C SER A 24 -10.652 -2.102 -2.957 1.00 0.00 C ATOM 323 O SER A 24 -11.293 -2.450 -1.987 1.00 0.00 O ATOM 324 CB SER A 24 -10.939 -0.812 -5.112 1.00 0.00 C ATOM 325 OG SER A 24 -12.260 -0.477 -5.541 1.00 0.00 O ATOM 0 H SER A 24 -9.837 1.164 -3.695 1.00 0.00 H new ATOM 0 HA SER A 24 -11.783 -0.340 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.215 -0.137 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.684 -1.821 -5.437 1.00 0.00 H new ATOM 0 HG SER A 24 -12.312 -0.537 -6.518 1.00 0.00 H new ATOM 331 N GLY A 25 -9.764 -2.886 -3.495 1.00 0.00 N ATOM 332 CA GLY A 25 -9.514 -4.235 -2.919 1.00 0.00 C ATOM 333 C GLY A 25 -8.141 -4.752 -3.360 1.00 0.00 C ATOM 334 O GLY A 25 -7.988 -5.925 -3.624 1.00 0.00 O ATOM 0 H GLY A 25 -9.199 -2.651 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.561 -4.188 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.292 -4.926 -3.242 1.00 0.00 H new ATOM 338 N ILE A 26 -7.140 -3.898 -3.437 1.00 0.00 N ATOM 339 CA ILE A 26 -5.772 -4.363 -3.857 1.00 0.00 C ATOM 340 C ILE A 26 -4.687 -3.510 -3.188 1.00 0.00 C ATOM 341 O ILE A 26 -4.871 -2.329 -2.958 1.00 0.00 O ATOM 342 CB ILE A 26 -5.667 -4.191 -5.392 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.053 -4.198 -6.066 1.00 0.00 C ATOM 344 CG2 ILE A 26 -4.820 -5.325 -5.971 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.496 -5.633 -6.377 1.00 0.00 C ATOM 0 H ILE A 26 -7.211 -2.902 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.629 -5.403 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.201 -3.225 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.783 -3.720 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.019 -3.615 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.744 -5.207 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.823 -5.295 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.289 -6.282 -5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.477 -5.616 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.775 -6.099 -7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.552 -6.205 -5.451 1.00 0.00 H new ATOM 357 N CYS A 27 -3.555 -4.090 -2.896 1.00 0.00 N ATOM 358 CA CYS A 27 -2.454 -3.311 -2.263 1.00 0.00 C ATOM 359 C CYS A 27 -1.533 -2.751 -3.352 1.00 0.00 C ATOM 360 O CYS A 27 -0.669 -3.443 -3.852 1.00 0.00 O ATOM 361 CB CYS A 27 -1.694 -4.316 -1.393 1.00 0.00 C ATOM 362 SG CYS A 27 -2.084 -4.026 0.354 1.00 0.00 S ATOM 0 H CYS A 27 -3.345 -5.073 -3.069 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.824 -2.470 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.967 -5.334 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.621 -4.217 -1.558 1.00 0.00 H new ATOM 367 N ALA A 28 -1.713 -1.514 -3.730 1.00 0.00 N ATOM 368 CA ALA A 28 -0.844 -0.917 -4.794 1.00 0.00 C ATOM 369 C ALA A 28 -0.672 0.589 -4.552 1.00 0.00 C ATOM 370 O ALA A 28 -1.618 1.271 -4.215 1.00 0.00 O ATOM 371 CB ALA A 28 -1.587 -1.171 -6.105 1.00 0.00 C ATOM 0 H ALA A 28 -2.423 -0.888 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 28 0.155 -1.353 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.011 -0.761 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.716 -2.244 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.564 -0.690 -6.069 1.00 0.00 H new HETATM 377 N HYP A 29 0.530 1.067 -4.736 1.00 0.00 N HETATM 378 CA HYP A 29 0.812 2.509 -4.531 1.00 0.00 C HETATM 379 C HYP A 29 0.154 3.344 -5.640 1.00 0.00 C HETATM 380 O HYP A 29 -0.316 2.822 -6.636 1.00 0.00 O HETATM 381 CB HYP A 29 2.333 2.587 -4.623 1.00 0.00 C HETATM 382 CG HYP A 29 2.738 1.407 -5.447 1.00 0.00 C HETATM 383 CD HYP A 29 1.731 0.326 -5.136 1.00 0.00 C HETATM 384 OD1 HYP A 29 2.756 1.736 -6.841 1.00 0.00 O HETATM 0 HD23 HYP A 29 2.081 -0.328 -4.338 1.00 0.00 H new HETATM 0 HD22 HYP A 29 1.541 -0.305 -6.005 1.00 0.00 H new HETATM 0 HG HYP A 29 3.749 1.076 -5.211 1.00 0.00 H new HETATM 0 HD1 HYP A 29 3.025 0.949 -7.359 1.00 0.00 H new HETATM 0 HB3 HYP A 29 2.652 3.520 -5.088 1.00 0.00 H new HETATM 0 HB2 HYP A 29 2.789 2.552 -3.634 1.00 0.00 H new HETATM 0 HA HYP A 29 0.424 2.895 -3.588 1.00 0.00 H new ATOM 392 N SER A 30 0.125 4.640 -5.477 1.00 0.00 N ATOM 393 CA SER A 30 -0.488 5.516 -6.520 1.00 0.00 C ATOM 394 C SER A 30 0.598 5.994 -7.491 1.00 0.00 C ATOM 395 O SER A 30 1.662 6.427 -7.082 1.00 0.00 O ATOM 396 CB SER A 30 -1.097 6.701 -5.761 1.00 0.00 C ATOM 397 OG SER A 30 -2.347 7.049 -6.348 1.00 0.00 O ATOM 0 H SER A 30 0.500 5.131 -4.665 1.00 0.00 H new ATOM 0 HA SER A 30 -1.244 4.994 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.236 6.442 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.419 7.554 -5.792 1.00 0.00 H new ATOM 0 HG SER A 30 -2.737 7.805 -5.862 1.00 0.00 H new ATOM 403 N THR A 31 0.343 5.924 -8.770 1.00 0.00 N ATOM 404 CA THR A 31 1.359 6.380 -9.764 1.00 0.00 C ATOM 405 C THR A 31 1.415 7.917 -9.776 1.00 0.00 C ATOM 406 O THR A 31 0.973 8.560 -10.708 1.00 0.00 O ATOM 407 CB THR A 31 0.875 5.815 -11.113 1.00 0.00 C ATOM 408 OG1 THR A 31 0.481 4.451 -10.949 1.00 0.00 O ATOM 409 CG2 THR A 31 2.006 5.901 -12.144 1.00 0.00 C ATOM 0 H THR A 31 -0.526 5.570 -9.170 1.00 0.00 H new ATOM 0 HA THR A 31 2.368 6.036 -9.535 1.00 0.00 H new ATOM 0 HB THR A 31 0.023 6.398 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.172 4.094 -11.808 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.661 5.501 -13.097 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.302 6.942 -12.274 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.861 5.322 -11.795 1.00 0.00 H new ATOM 417 N ASN A 32 1.954 8.501 -8.736 1.00 0.00 N ATOM 418 CA ASN A 32 2.043 9.988 -8.670 1.00 0.00 C ATOM 419 C ASN A 32 3.197 10.402 -7.753 1.00 0.00 C ATOM 420 O ASN A 32 4.054 9.605 -7.421 1.00 0.00 O ATOM 421 CB ASN A 32 0.701 10.451 -8.098 1.00 0.00 C ATOM 422 CG ASN A 32 0.381 11.852 -8.620 1.00 0.00 C ATOM 423 OD1 ASN A 32 0.956 12.827 -8.168 1.00 0.00 O ATOM 424 ND2 ASN A 32 -0.512 11.998 -9.555 1.00 0.00 N ATOM 0 H ASN A 32 2.337 8.009 -7.929 1.00 0.00 H new ATOM 0 HA ASN A 32 2.235 10.434 -9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.088 9.756 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.740 10.457 -7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.731 12.929 -9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.993 11.182 -9.933 1.00 0.00 H new ATOM 431 N TRP A 33 3.232 11.644 -7.353 1.00 0.00 N ATOM 432 CA TRP A 33 4.347 12.137 -6.477 1.00 0.00 C ATOM 433 C TRP A 33 3.774 12.992 -5.341 1.00 0.00 C ATOM 434 O TRP A 33 3.947 12.703 -4.175 1.00 0.00 O ATOM 435 CB TRP A 33 5.248 13.023 -7.379 1.00 0.00 C ATOM 436 CG TRP A 33 4.726 13.038 -8.780 1.00 0.00 C ATOM 437 CD1 TRP A 33 3.842 13.932 -9.276 1.00 0.00 C ATOM 438 CD2 TRP A 33 5.021 12.113 -9.859 1.00 0.00 C ATOM 439 NE1 TRP A 33 3.553 13.594 -10.581 1.00 0.00 N ATOM 440 CE2 TRP A 33 4.268 12.486 -10.993 1.00 0.00 C ATOM 441 CE3 TRP A 33 5.858 10.995 -9.959 1.00 0.00 C ATOM 442 CZ2 TRP A 33 4.345 11.767 -12.192 1.00 0.00 C ATOM 443 CZ3 TRP A 33 5.943 10.267 -11.151 1.00 0.00 C ATOM 444 CH2 TRP A 33 5.188 10.655 -12.271 1.00 0.00 C ATOM 0 H TRP A 33 2.534 12.347 -7.594 1.00 0.00 H new ATOM 0 HA TRP A 33 4.903 11.308 -6.038 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.281 14.039 -6.985 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.270 12.644 -7.369 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.430 14.773 -8.738 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.892 14.100 -11.170 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.445 10.691 -9.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.759 12.069 -13.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 6.591 9.405 -11.210 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.259 10.095 -13.192 1.00 0.00 H new ATOM 455 N ILE A 34 3.099 14.055 -5.691 1.00 0.00 N ATOM 456 CA ILE A 34 2.518 14.960 -4.648 1.00 0.00 C ATOM 457 C ILE A 34 1.037 14.626 -4.406 1.00 0.00 C ATOM 458 O ILE A 34 0.427 15.135 -3.479 1.00 0.00 O ATOM 459 CB ILE A 34 2.653 16.403 -5.196 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.915 16.555 -6.065 1.00 0.00 C ATOM 461 CG2 ILE A 34 2.737 17.390 -4.026 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.148 16.083 -5.294 1.00 0.00 C ATOM 0 H ILE A 34 2.923 14.338 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 34 3.038 14.843 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 34 1.777 16.613 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.806 15.975 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.039 17.597 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.832 18.405 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.833 17.315 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.606 17.153 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.033 16.196 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.263 16.682 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.027 15.035 -5.021 1.00 0.00 H new ATOM 474 N LEU A 35 0.455 13.789 -5.230 1.00 0.00 N ATOM 475 CA LEU A 35 -0.980 13.428 -5.042 1.00 0.00 C ATOM 476 C LEU A 35 -1.110 12.364 -3.936 1.00 0.00 C ATOM 477 O LEU A 35 -0.607 11.262 -4.081 1.00 0.00 O ATOM 478 CB LEU A 35 -1.437 12.864 -6.390 1.00 0.00 C ATOM 479 CG LEU A 35 -2.946 13.076 -6.555 1.00 0.00 C ATOM 480 CD1 LEU A 35 -3.199 14.314 -7.420 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.560 11.856 -7.236 1.00 0.00 C ATOM 0 H LEU A 35 0.914 13.342 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.586 14.283 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.900 13.356 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.201 11.802 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.399 13.216 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.272 14.463 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.761 15.189 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.744 14.172 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.633 12.006 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.103 11.718 -8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.382 10.971 -6.625 1.00 0.00 H new ATOM 493 N PRO A 36 -1.775 12.730 -2.863 1.00 0.00 N ATOM 494 CA PRO A 36 -1.960 11.790 -1.719 1.00 0.00 C ATOM 495 C PRO A 36 -2.972 10.691 -2.063 1.00 0.00 C ATOM 496 O PRO A 36 -3.802 10.843 -2.938 1.00 0.00 O ATOM 497 CB PRO A 36 -2.489 12.692 -0.602 1.00 0.00 C ATOM 498 CG PRO A 36 -3.135 13.847 -1.306 1.00 0.00 C ATOM 499 CD PRO A 36 -2.418 14.034 -2.617 1.00 0.00 C ATOM 0 HA PRO A 36 -1.043 11.267 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.205 12.163 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.682 13.028 0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.194 13.651 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.069 14.751 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.111 14.294 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.683 14.837 -2.559 1.00 0.00 H new ATOM 507 N GLY A 37 -2.907 9.586 -1.373 1.00 0.00 N ATOM 508 CA GLY A 37 -3.861 8.472 -1.645 1.00 0.00 C ATOM 509 C GLY A 37 -4.598 8.123 -0.362 1.00 0.00 C ATOM 510 O GLY A 37 -5.784 8.369 -0.235 1.00 0.00 O ATOM 0 H GLY A 37 -2.232 9.405 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.571 8.765 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.324 7.600 -2.019 1.00 0.00 H new ATOM 514 N CYS A 38 -3.908 7.561 0.593 1.00 0.00 N ATOM 515 CA CYS A 38 -4.566 7.195 1.884 1.00 0.00 C ATOM 516 C CYS A 38 -3.744 7.730 3.063 1.00 0.00 C ATOM 517 O CYS A 38 -4.317 8.373 3.926 1.00 0.00 O ATOM 518 CB CYS A 38 -4.609 5.655 1.910 1.00 0.00 C ATOM 519 SG CYS A 38 -3.085 4.951 1.215 1.00 0.00 S ATOM 520 OXT CYS A 38 -2.557 7.482 3.094 1.00 0.00 O ATOM 0 H CYS A 38 -2.914 7.338 0.536 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.565 7.623 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.740 5.308 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.469 5.302 1.342 1.00 0.00 H new TER 525 CYS A 38