USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 261 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.24 K(o=-1.2,f=-6.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -1.06 USER MOD Single : A 16 LYS NZ :NH3+ -132:sc= -0.63 (180deg=-1.91!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -0.0106 (180deg=-0.25) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 3 2.219 5.344 3.102 1.00 0.00 N ATOM 40 CA ILE A 3 2.893 4.826 4.331 1.00 0.00 C ATOM 41 C ILE A 3 4.374 4.556 4.050 1.00 0.00 C ATOM 42 O ILE A 3 4.813 4.562 2.916 1.00 0.00 O ATOM 43 CB ILE A 3 2.176 3.520 4.679 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.669 3.677 4.456 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.436 3.175 6.146 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.044 2.387 4.869 1.00 0.00 C ATOM 0 HA ILE A 3 2.843 5.544 5.149 1.00 0.00 H new ATOM 0 HB ILE A 3 2.553 2.722 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.290 4.517 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.466 3.898 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.926 2.245 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.507 3.057 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.060 3.977 6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.117 2.498 4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.328 1.557 4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.148 2.186 5.923 1.00 0.00 H new ATOM 58 N ASN A 4 5.144 4.315 5.077 1.00 0.00 N ATOM 59 CA ASN A 4 6.596 4.042 4.878 1.00 0.00 C ATOM 60 C ASN A 4 6.865 2.536 4.928 1.00 0.00 C ATOM 61 O ASN A 4 7.974 2.100 5.165 1.00 0.00 O ATOM 62 CB ASN A 4 7.293 4.749 6.041 1.00 0.00 C ATOM 63 CG ASN A 4 6.671 4.289 7.361 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.234 3.162 7.480 1.00 0.00 O ATOM 65 ND2 ASN A 4 6.611 5.120 8.366 1.00 0.00 N ATOM 0 H ASN A 4 4.829 4.295 6.047 1.00 0.00 H new ATOM 0 HA ASN A 4 6.953 4.395 3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.360 4.524 6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.194 5.829 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.198 4.823 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.978 6.067 8.268 1.00 0.00 H new ATOM 72 N ALA A 5 5.858 1.735 4.706 1.00 0.00 N ATOM 73 CA ALA A 5 6.059 0.258 4.740 1.00 0.00 C ATOM 74 C ALA A 5 7.007 -0.168 3.615 1.00 0.00 C ATOM 75 O ALA A 5 6.781 0.125 2.457 1.00 0.00 O ATOM 76 CB ALA A 5 4.666 -0.337 4.524 1.00 0.00 C ATOM 0 H ALA A 5 4.906 2.039 4.503 1.00 0.00 H new ATOM 0 HA ALA A 5 6.503 -0.079 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.729 -1.425 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.000 -0.004 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.275 -0.007 3.562 1.00 0.00 H new ATOM 82 N LYS A 6 8.068 -0.853 3.945 1.00 0.00 N ATOM 83 CA LYS A 6 9.027 -1.291 2.891 1.00 0.00 C ATOM 84 C LYS A 6 8.388 -2.355 1.996 1.00 0.00 C ATOM 85 O LYS A 6 8.668 -3.531 2.115 1.00 0.00 O ATOM 86 CB LYS A 6 10.215 -1.877 3.649 1.00 0.00 C ATOM 87 CG LYS A 6 9.753 -3.077 4.477 1.00 0.00 C ATOM 88 CD LYS A 6 10.386 -3.010 5.869 1.00 0.00 C ATOM 89 CE LYS A 6 11.845 -3.468 5.790 1.00 0.00 C ATOM 90 NZ LYS A 6 12.115 -4.115 7.104 1.00 0.00 N ATOM 0 H LYS A 6 8.312 -1.128 4.897 1.00 0.00 H new ATOM 0 HA LYS A 6 9.323 -0.467 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.991 -2.183 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.653 -1.120 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.666 -3.079 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.036 -4.005 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.334 -1.992 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.832 -3.643 6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.996 -4.167 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.515 -2.625 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.097 -4.456 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.970 -3.424 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.467 -4.918 7.236 1.00 0.00 H new ATOM 104 N CYS A 7 7.535 -1.949 1.100 1.00 0.00 N ATOM 105 CA CYS A 7 6.878 -2.937 0.191 1.00 0.00 C ATOM 106 C CYS A 7 7.934 -3.835 -0.455 1.00 0.00 C ATOM 107 O CYS A 7 9.112 -3.719 -0.182 1.00 0.00 O ATOM 108 CB CYS A 7 6.162 -2.101 -0.875 1.00 0.00 C ATOM 109 SG CYS A 7 7.267 -0.797 -1.471 1.00 0.00 S ATOM 0 H CYS A 7 7.262 -0.977 0.955 1.00 0.00 H new ATOM 0 HA CYS A 7 6.184 -3.586 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.855 -2.738 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.256 -1.661 -0.458 1.00 0.00 H new ATOM 114 N ARG A 8 7.524 -4.732 -1.310 1.00 0.00 N ATOM 115 CA ARG A 8 8.511 -5.635 -1.967 1.00 0.00 C ATOM 116 C ARG A 8 8.301 -5.641 -3.483 1.00 0.00 C ATOM 117 O ARG A 8 9.243 -5.692 -4.249 1.00 0.00 O ATOM 118 CB ARG A 8 8.234 -7.018 -1.379 1.00 0.00 C ATOM 119 CG ARG A 8 9.246 -7.305 -0.269 1.00 0.00 C ATOM 120 CD ARG A 8 9.046 -8.730 0.252 1.00 0.00 C ATOM 121 NE ARG A 8 10.164 -8.945 1.213 1.00 0.00 N ATOM 122 CZ ARG A 8 10.229 -8.233 2.306 1.00 0.00 C ATOM 123 NH1 ARG A 8 9.233 -8.240 3.149 1.00 0.00 N ATOM 124 NH2 ARG A 8 11.289 -7.516 2.555 1.00 0.00 N ATOM 0 H ARG A 8 6.552 -4.878 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 8 9.539 -5.317 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.220 -7.061 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.305 -7.778 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.261 -7.185 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.122 -6.589 0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.078 -8.840 0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.078 -9.456 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 8 10.878 -9.647 1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.404 -8.801 2.954 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.283 -7.684 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.068 -7.511 1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.340 -6.960 3.409 1.00 0.00 H new ATOM 138 N GLY A 9 7.074 -5.593 -3.924 1.00 0.00 N ATOM 139 CA GLY A 9 6.812 -5.598 -5.391 1.00 0.00 C ATOM 140 C GLY A 9 5.569 -4.762 -5.701 1.00 0.00 C ATOM 141 O GLY A 9 5.598 -3.878 -6.532 1.00 0.00 O ATOM 0 H GLY A 9 6.243 -5.551 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.673 -5.196 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.669 -6.621 -5.740 1.00 0.00 H new ATOM 145 N SER A 10 4.473 -5.035 -5.040 1.00 0.00 N ATOM 146 CA SER A 10 3.225 -4.255 -5.301 1.00 0.00 C ATOM 147 C SER A 10 2.004 -4.925 -4.651 1.00 0.00 C ATOM 148 O SER A 10 1.287 -4.291 -3.902 1.00 0.00 O ATOM 149 CB SER A 10 3.072 -4.231 -6.824 1.00 0.00 C ATOM 150 OG SER A 10 1.737 -4.576 -7.173 1.00 0.00 O ATOM 0 H SER A 10 4.388 -5.764 -4.331 1.00 0.00 H new ATOM 0 HA SER A 10 3.288 -3.252 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.315 -3.241 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.771 -4.931 -7.281 1.00 0.00 H new ATOM 0 HG SER A 10 1.639 -4.559 -8.148 1.00 0.00 H new ATOM 156 N PRO A 11 1.785 -6.182 -4.967 1.00 0.00 N ATOM 157 CA PRO A 11 0.621 -6.911 -4.409 1.00 0.00 C ATOM 158 C PRO A 11 0.649 -6.924 -2.877 1.00 0.00 C ATOM 159 O PRO A 11 -0.376 -6.832 -2.233 1.00 0.00 O ATOM 160 CB PRO A 11 0.795 -8.320 -4.983 1.00 0.00 C ATOM 161 CG PRO A 11 2.058 -8.343 -5.863 1.00 0.00 C ATOM 162 CD PRO A 11 2.678 -6.939 -5.880 1.00 0.00 C ATOM 0 HA PRO A 11 -0.335 -6.456 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.883 -9.048 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.080 -8.599 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.775 -9.067 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.806 -8.656 -6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.709 -6.946 -5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.689 -6.512 -6.883 1.00 0.00 H new ATOM 170 N GLU A 12 1.806 -7.038 -2.285 1.00 0.00 N ATOM 171 CA GLU A 12 1.877 -7.058 -0.793 1.00 0.00 C ATOM 172 C GLU A 12 1.276 -5.772 -0.210 1.00 0.00 C ATOM 173 O GLU A 12 0.777 -5.753 0.901 1.00 0.00 O ATOM 174 CB GLU A 12 3.371 -7.162 -0.466 1.00 0.00 C ATOM 175 CG GLU A 12 4.039 -5.793 -0.632 1.00 0.00 C ATOM 176 CD GLU A 12 4.035 -5.396 -2.108 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.382 -6.231 -2.926 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.685 -4.264 -2.395 1.00 0.00 O ATOM 0 H GLU A 12 2.702 -7.118 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 12 1.311 -7.886 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.504 -7.520 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.846 -7.890 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.509 -5.045 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.062 -5.828 -0.257 1.00 0.00 H new ATOM 185 N CYS A 13 1.317 -4.697 -0.949 1.00 0.00 N ATOM 186 CA CYS A 13 0.747 -3.418 -0.434 1.00 0.00 C ATOM 187 C CYS A 13 -0.776 -3.520 -0.309 1.00 0.00 C ATOM 188 O CYS A 13 -1.367 -2.992 0.613 1.00 0.00 O ATOM 189 CB CYS A 13 1.133 -2.366 -1.475 1.00 0.00 C ATOM 190 SG CYS A 13 2.408 -1.277 -0.789 1.00 0.00 S ATOM 0 H CYS A 13 1.719 -4.648 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 13 1.125 -3.170 0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.502 -2.851 -2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.257 -1.783 -1.761 1.00 0.00 H new ATOM 195 N LEU A 14 -1.420 -4.193 -1.226 1.00 0.00 N ATOM 196 CA LEU A 14 -2.905 -4.319 -1.145 1.00 0.00 C ATOM 197 C LEU A 14 -3.330 -4.767 0.260 1.00 0.00 C ATOM 198 O LEU A 14 -4.102 -4.088 0.909 1.00 0.00 O ATOM 199 CB LEU A 14 -3.285 -5.364 -2.193 1.00 0.00 C ATOM 200 CG LEU A 14 -4.211 -4.725 -3.229 1.00 0.00 C ATOM 201 CD1 LEU A 14 -5.358 -4.011 -2.512 1.00 0.00 C ATOM 202 CD2 LEU A 14 -3.423 -3.711 -4.063 1.00 0.00 C ATOM 0 H LEU A 14 -0.985 -4.658 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.405 -3.369 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.389 -5.752 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.781 -6.210 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.614 -5.498 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.019 -3.555 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.919 -4.731 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.954 -3.238 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.083 -3.256 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.021 -2.937 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.603 -4.218 -4.573 1.00 0.00 H new ATOM 214 N PRO A 15 -2.811 -5.891 0.701 1.00 0.00 N ATOM 215 CA PRO A 15 -3.150 -6.399 2.049 1.00 0.00 C ATOM 216 C PRO A 15 -2.763 -5.361 3.103 1.00 0.00 C ATOM 217 O PRO A 15 -3.493 -5.111 4.041 1.00 0.00 O ATOM 218 CB PRO A 15 -2.290 -7.660 2.166 1.00 0.00 C ATOM 219 CG PRO A 15 -1.485 -7.830 0.863 1.00 0.00 C ATOM 220 CD PRO A 15 -1.869 -6.702 -0.103 1.00 0.00 C ATOM 0 HA PRO A 15 -4.211 -6.601 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.616 -7.580 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.920 -8.533 2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.416 -7.800 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.695 -8.800 0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.000 -6.123 -0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.337 -7.087 -1.009 1.00 0.00 H new ATOM 228 N LYS A 16 -1.619 -4.746 2.950 1.00 0.00 N ATOM 229 CA LYS A 16 -1.196 -3.717 3.940 1.00 0.00 C ATOM 230 C LYS A 16 -2.207 -2.566 3.956 1.00 0.00 C ATOM 231 O LYS A 16 -2.677 -2.153 4.999 1.00 0.00 O ATOM 232 CB LYS A 16 0.171 -3.232 3.454 1.00 0.00 C ATOM 233 CG LYS A 16 1.176 -4.384 3.532 1.00 0.00 C ATOM 234 CD LYS A 16 1.534 -4.652 4.996 1.00 0.00 C ATOM 235 CE LYS A 16 2.403 -3.509 5.526 1.00 0.00 C ATOM 236 NZ LYS A 16 1.478 -2.656 6.322 1.00 0.00 N ATOM 0 H LYS A 16 -0.964 -4.912 2.186 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.143 -4.111 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.097 -2.868 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.511 -2.396 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.753 -5.281 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.074 -4.136 2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.626 -4.740 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.067 -5.599 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.219 -3.887 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.855 -2.946 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.606 -1.660 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.495 -2.941 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.685 -2.770 7.335 1.00 0.00 H new ATOM 250 N CYS A 17 -2.555 -2.049 2.807 1.00 0.00 N ATOM 251 CA CYS A 17 -3.545 -0.935 2.764 1.00 0.00 C ATOM 252 C CYS A 17 -4.860 -1.390 3.403 1.00 0.00 C ATOM 253 O CYS A 17 -5.542 -0.626 4.054 1.00 0.00 O ATOM 254 CB CYS A 17 -3.751 -0.629 1.278 1.00 0.00 C ATOM 255 SG CYS A 17 -2.271 0.170 0.604 1.00 0.00 S ATOM 0 H CYS A 17 -2.198 -2.349 1.900 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.202 -0.056 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.958 -1.550 0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.617 0.020 1.148 1.00 0.00 H new ATOM 260 N LYS A 18 -5.217 -2.633 3.222 1.00 0.00 N ATOM 261 CA LYS A 18 -6.484 -3.141 3.822 1.00 0.00 C ATOM 262 C LYS A 18 -6.414 -3.052 5.349 1.00 0.00 C ATOM 263 O LYS A 18 -7.386 -2.742 6.009 1.00 0.00 O ATOM 264 CB LYS A 18 -6.577 -4.600 3.370 1.00 0.00 C ATOM 265 CG LYS A 18 -8.008 -5.107 3.563 1.00 0.00 C ATOM 266 CD LYS A 18 -8.642 -5.382 2.198 1.00 0.00 C ATOM 267 CE LYS A 18 -9.006 -6.865 2.093 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.474 -6.918 2.335 1.00 0.00 N ATOM 0 H LYS A 18 -4.686 -3.318 2.685 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.354 -2.563 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.288 -4.686 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.882 -5.214 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.005 -6.016 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.596 -4.368 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.533 -4.768 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.949 -5.110 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.753 -7.265 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.463 -7.458 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.800 -7.904 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.684 -6.537 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.965 -6.350 1.615 1.00 0.00 H new ATOM 282 N GLU A 19 -5.266 -3.316 5.916 1.00 0.00 N ATOM 283 CA GLU A 19 -5.132 -3.239 7.399 1.00 0.00 C ATOM 284 C GLU A 19 -5.017 -1.777 7.837 1.00 0.00 C ATOM 285 O GLU A 19 -5.218 -1.446 8.989 1.00 0.00 O ATOM 286 CB GLU A 19 -3.844 -4.000 7.722 1.00 0.00 C ATOM 287 CG GLU A 19 -4.173 -5.468 8.007 1.00 0.00 C ATOM 288 CD GLU A 19 -3.750 -5.820 9.434 1.00 0.00 C ATOM 289 OE1 GLU A 19 -2.556 -5.901 9.676 1.00 0.00 O ATOM 290 OE2 GLU A 19 -4.627 -6.005 10.262 1.00 0.00 O ATOM 0 H GLU A 19 -4.417 -3.581 5.416 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.993 -3.662 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.148 -3.928 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.352 -3.553 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.241 -5.643 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.657 -6.112 7.295 1.00 0.00 H new ATOM 297 N ALA A 20 -4.695 -0.898 6.926 1.00 0.00 N ATOM 298 CA ALA A 20 -4.567 0.543 7.290 1.00 0.00 C ATOM 299 C ALA A 20 -5.807 1.319 6.834 1.00 0.00 C ATOM 300 O ALA A 20 -6.332 2.146 7.553 1.00 0.00 O ATOM 301 CB ALA A 20 -3.324 1.032 6.544 1.00 0.00 C ATOM 0 H ALA A 20 -4.515 -1.115 5.946 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.481 0.689 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.161 2.088 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.456 0.457 6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.468 0.900 5.472 1.00 0.00 H new ATOM 307 N ILE A 21 -6.277 1.063 5.644 1.00 0.00 N ATOM 308 CA ILE A 21 -7.480 1.788 5.144 1.00 0.00 C ATOM 309 C ILE A 21 -8.668 0.824 5.027 1.00 0.00 C ATOM 310 O ILE A 21 -9.814 1.222 5.100 1.00 0.00 O ATOM 311 CB ILE A 21 -7.068 2.337 3.772 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.945 3.538 3.418 1.00 0.00 C ATOM 313 CG2 ILE A 21 -7.227 1.257 2.695 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.375 4.234 2.181 1.00 0.00 C ATOM 0 H ILE A 21 -5.880 0.383 4.996 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.798 2.587 5.814 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.023 2.643 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.968 3.212 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.983 4.234 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.931 1.662 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.595 0.403 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.268 0.937 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.998 5.091 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.360 4.573 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.360 3.535 1.345 1.00 0.00 H new ATOM 326 N GLY A 22 -8.400 -0.442 4.851 1.00 0.00 N ATOM 327 CA GLY A 22 -9.507 -1.433 4.735 1.00 0.00 C ATOM 328 C GLY A 22 -10.246 -1.230 3.410 1.00 0.00 C ATOM 329 O GLY A 22 -11.452 -1.359 3.335 1.00 0.00 O ATOM 0 H GLY A 22 -7.460 -0.833 4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.108 -2.446 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.199 -1.319 5.569 1.00 0.00 H new ATOM 333 N LYS A 23 -9.534 -0.912 2.362 1.00 0.00 N ATOM 334 CA LYS A 23 -10.202 -0.703 1.045 1.00 0.00 C ATOM 335 C LYS A 23 -9.491 -1.510 -0.046 1.00 0.00 C ATOM 336 O LYS A 23 -9.904 -1.528 -1.188 1.00 0.00 O ATOM 337 CB LYS A 23 -10.081 0.797 0.773 1.00 0.00 C ATOM 338 CG LYS A 23 -11.045 1.193 -0.348 1.00 0.00 C ATOM 339 CD LYS A 23 -11.848 2.423 0.080 1.00 0.00 C ATOM 340 CE LYS A 23 -13.025 2.628 -0.878 1.00 0.00 C ATOM 341 NZ LYS A 23 -14.063 1.659 -0.427 1.00 0.00 N ATOM 0 H LYS A 23 -8.522 -0.788 2.361 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.241 -1.032 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.308 1.361 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.058 1.045 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.489 1.408 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.718 0.366 -0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.214 2.294 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.208 3.305 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.396 3.652 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.731 2.439 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.452 1.158 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.636 0.971 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.827 2.170 0.060 1.00 0.00 H new ATOM 355 N ALA A 24 -8.429 -2.183 0.302 1.00 0.00 N ATOM 356 CA ALA A 24 -7.689 -2.996 -0.706 1.00 0.00 C ATOM 357 C ALA A 24 -7.419 -2.176 -1.971 1.00 0.00 C ATOM 358 O ALA A 24 -7.806 -2.552 -3.059 1.00 0.00 O ATOM 359 CB ALA A 24 -8.616 -4.171 -1.020 1.00 0.00 C ATOM 0 H ALA A 24 -8.040 -2.205 1.245 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.718 -3.323 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.144 -4.820 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.808 -4.737 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.558 -3.795 -1.419 1.00 0.00 H new ATOM 365 N ALA A 25 -6.754 -1.059 -1.842 1.00 0.00 N ATOM 366 CA ALA A 25 -6.461 -0.226 -3.045 1.00 0.00 C ATOM 367 C ALA A 25 -5.155 0.550 -2.851 1.00 0.00 C ATOM 368 O ALA A 25 -5.028 1.352 -1.948 1.00 0.00 O ATOM 369 CB ALA A 25 -7.645 0.735 -3.160 1.00 0.00 C ATOM 0 H ALA A 25 -6.402 -0.688 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.338 -0.830 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.504 1.384 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.566 0.165 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.710 1.342 -2.257 1.00 0.00 H new ATOM 375 N GLY A 26 -4.181 0.322 -3.694 1.00 0.00 N ATOM 376 CA GLY A 26 -2.890 1.054 -3.555 1.00 0.00 C ATOM 377 C GLY A 26 -1.737 0.186 -4.063 1.00 0.00 C ATOM 378 O GLY A 26 -1.909 -0.977 -4.368 1.00 0.00 O ATOM 0 H GLY A 26 -4.225 -0.338 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.929 1.986 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.724 1.319 -2.511 1.00 0.00 H new ATOM 382 N LYS A 27 -0.560 0.748 -4.152 1.00 0.00 N ATOM 383 CA LYS A 27 0.614 -0.037 -4.635 1.00 0.00 C ATOM 384 C LYS A 27 1.865 0.351 -3.843 1.00 0.00 C ATOM 385 O LYS A 27 1.790 1.027 -2.836 1.00 0.00 O ATOM 386 CB LYS A 27 0.776 0.346 -6.108 1.00 0.00 C ATOM 387 CG LYS A 27 -0.525 0.064 -6.860 1.00 0.00 C ATOM 388 CD LYS A 27 -1.278 1.376 -7.084 1.00 0.00 C ATOM 389 CE LYS A 27 -1.298 1.705 -8.579 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.639 3.037 -8.688 1.00 0.00 N ATOM 0 H LYS A 27 -0.361 1.719 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 27 0.472 -1.110 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.035 1.401 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.594 -0.220 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.309 -0.412 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.143 -0.630 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.297 1.292 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.798 2.182 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.763 0.951 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.318 1.736 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.614 3.332 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.174 3.736 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.332 2.975 -8.321 1.00 0.00 H new ATOM 404 N CYS A 28 3.016 -0.066 -4.295 1.00 0.00 N ATOM 405 CA CYS A 28 4.273 0.283 -3.572 1.00 0.00 C ATOM 406 C CYS A 28 4.990 1.426 -4.304 1.00 0.00 C ATOM 407 O CYS A 28 4.876 1.572 -5.506 1.00 0.00 O ATOM 408 CB CYS A 28 5.099 -1.014 -3.585 1.00 0.00 C ATOM 409 SG CYS A 28 6.871 -0.650 -3.447 1.00 0.00 S ATOM 0 H CYS A 28 3.141 -0.633 -5.133 1.00 0.00 H new ATOM 0 HA CYS A 28 4.103 0.632 -2.554 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.790 -1.656 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.907 -1.564 -4.506 1.00 0.00 H new ATOM 414 N MET A 29 5.722 2.240 -3.590 1.00 0.00 N ATOM 415 CA MET A 29 6.434 3.374 -4.250 1.00 0.00 C ATOM 416 C MET A 29 7.953 3.176 -4.178 1.00 0.00 C ATOM 417 O MET A 29 8.640 3.844 -3.431 1.00 0.00 O ATOM 418 CB MET A 29 6.019 4.616 -3.461 1.00 0.00 C ATOM 419 CG MET A 29 6.363 5.871 -4.265 1.00 0.00 C ATOM 420 SD MET A 29 7.275 7.029 -3.215 1.00 0.00 S ATOM 421 CE MET A 29 6.507 8.548 -3.831 1.00 0.00 C ATOM 0 H MET A 29 5.858 2.169 -2.582 1.00 0.00 H new ATOM 0 HA MET A 29 6.179 3.454 -5.307 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.949 4.587 -3.253 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.531 4.636 -2.499 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.961 5.605 -5.136 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.451 6.340 -4.635 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.930 9.407 -3.310 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.696 8.644 -4.900 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.432 8.510 -3.655 1.00 0.00 H new ATOM 431 N ASN A 30 8.480 2.268 -4.952 1.00 0.00 N ATOM 432 CA ASN A 30 9.953 2.032 -4.937 1.00 0.00 C ATOM 433 C ASN A 30 10.448 1.807 -3.505 1.00 0.00 C ATOM 434 O ASN A 30 11.576 2.118 -3.173 1.00 0.00 O ATOM 435 CB ASN A 30 10.563 3.307 -5.523 1.00 0.00 C ATOM 436 CG ASN A 30 10.503 3.248 -7.050 1.00 0.00 C ATOM 437 OD1 ASN A 30 9.532 3.666 -7.648 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.509 2.742 -7.711 1.00 0.00 N ATOM 0 H ASN A 30 7.954 1.677 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 30 10.232 1.145 -5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.022 4.181 -5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.596 3.413 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.479 2.698 -8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.324 2.391 -7.209 1.00 0.00 H new ATOM 445 N GLY A 31 9.622 1.264 -2.655 1.00 0.00 N ATOM 446 CA GLY A 31 10.061 1.017 -1.250 1.00 0.00 C ATOM 447 C GLY A 31 8.926 1.350 -0.280 1.00 0.00 C ATOM 448 O GLY A 31 8.797 0.751 0.764 1.00 0.00 O ATOM 0 H GLY A 31 8.666 0.981 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.358 -0.025 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.936 1.626 -1.021 1.00 0.00 H new ATOM 452 N LYS A 32 8.100 2.296 -0.613 1.00 0.00 N ATOM 453 CA LYS A 32 6.977 2.657 0.299 1.00 0.00 C ATOM 454 C LYS A 32 5.649 2.144 -0.263 1.00 0.00 C ATOM 455 O LYS A 32 5.609 1.474 -1.275 1.00 0.00 O ATOM 456 CB LYS A 32 6.985 4.185 0.349 1.00 0.00 C ATOM 457 CG LYS A 32 8.241 4.665 1.080 1.00 0.00 C ATOM 458 CD LYS A 32 9.221 5.265 0.070 1.00 0.00 C ATOM 459 CE LYS A 32 10.655 5.000 0.530 1.00 0.00 C ATOM 460 NZ LYS A 32 11.475 6.040 -0.149 1.00 0.00 N ATOM 0 H LYS A 32 8.151 2.837 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 32 7.091 2.215 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.961 4.593 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.093 4.547 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.976 5.409 1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.709 3.833 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.057 4.828 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.051 6.337 -0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.742 5.074 1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.980 3.997 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.474 5.924 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.378 5.940 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.147 6.984 0.140 1.00 0.00 H new ATOM 474 N CYS A 33 4.560 2.457 0.385 1.00 0.00 N ATOM 475 CA CYS A 33 3.235 1.989 -0.116 1.00 0.00 C ATOM 476 C CYS A 33 2.331 3.189 -0.405 1.00 0.00 C ATOM 477 O CYS A 33 2.502 4.253 0.155 1.00 0.00 O ATOM 478 CB CYS A 33 2.653 1.142 1.016 1.00 0.00 C ATOM 479 SG CYS A 33 1.381 0.037 0.352 1.00 0.00 S ATOM 0 H CYS A 33 4.530 3.015 1.238 1.00 0.00 H new ATOM 0 HA CYS A 33 3.322 1.421 -1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.442 0.560 1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.225 1.787 1.784 1.00 0.00 H new ATOM 484 N LYS A 34 1.373 3.031 -1.276 1.00 0.00 N ATOM 485 CA LYS A 34 0.468 4.172 -1.593 1.00 0.00 C ATOM 486 C LYS A 34 -0.990 3.704 -1.656 1.00 0.00 C ATOM 487 O LYS A 34 -1.490 3.342 -2.702 1.00 0.00 O ATOM 488 CB LYS A 34 0.931 4.671 -2.961 1.00 0.00 C ATOM 489 CG LYS A 34 2.306 5.330 -2.826 1.00 0.00 C ATOM 490 CD LYS A 34 2.607 6.148 -4.083 1.00 0.00 C ATOM 491 CE LYS A 34 2.865 5.202 -5.257 1.00 0.00 C ATOM 492 NZ LYS A 34 1.910 5.637 -6.315 1.00 0.00 N ATOM 0 H LYS A 34 1.178 2.166 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 34 0.511 4.953 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.982 3.840 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.212 5.385 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.327 5.974 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.073 4.569 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.769 6.807 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.477 6.784 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.896 5.273 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.694 4.164 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.025 5.035 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.936 5.553 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.101 6.627 -6.569 1.00 0.00 H new ATOM 506 N CYS A 35 -1.678 3.719 -0.545 1.00 0.00 N ATOM 507 CA CYS A 35 -3.106 3.284 -0.548 1.00 0.00 C ATOM 508 C CYS A 35 -3.993 4.423 -1.060 1.00 0.00 C ATOM 509 O CYS A 35 -3.784 5.576 -0.741 1.00 0.00 O ATOM 510 CB CYS A 35 -3.432 2.959 0.909 1.00 0.00 C ATOM 511 SG CYS A 35 -2.129 1.916 1.611 1.00 0.00 S ATOM 0 H CYS A 35 -1.315 4.013 0.362 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.277 2.425 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.523 3.880 1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.393 2.448 0.971 1.00 0.00 H new ATOM 516 N TYR A 36 -4.978 4.111 -1.859 1.00 0.00 N ATOM 517 CA TYR A 36 -5.871 5.180 -2.396 1.00 0.00 C ATOM 518 C TYR A 36 -6.925 5.572 -1.349 1.00 0.00 C ATOM 519 O TYR A 36 -7.447 4.722 -0.657 1.00 0.00 O ATOM 520 CB TYR A 36 -6.543 4.553 -3.617 1.00 0.00 C ATOM 521 CG TYR A 36 -5.725 4.848 -4.851 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.327 4.813 -4.788 1.00 0.00 C ATOM 523 CD2 TYR A 36 -6.364 5.153 -6.057 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.569 5.086 -5.932 1.00 0.00 C ATOM 525 CE2 TYR A 36 -5.606 5.425 -7.202 1.00 0.00 C ATOM 526 CZ TYR A 36 -4.207 5.391 -7.140 1.00 0.00 C ATOM 527 OH TYR A 36 -3.459 5.658 -8.268 1.00 0.00 O ATOM 0 H TYR A 36 -5.203 3.164 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.322 6.087 -2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.638 3.476 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.552 4.949 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.834 4.575 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.443 5.179 -6.105 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.490 5.061 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.100 5.661 -8.133 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.058 5.849 -9.020 1.00 0.00 H new ATOM 537 N PRO A 37 -7.214 6.851 -1.270 1.00 0.00 N ATOM 538 CA PRO A 37 -8.222 7.344 -0.301 1.00 0.00 C ATOM 539 C PRO A 37 -9.599 6.746 -0.608 1.00 0.00 C ATOM 540 O PRO A 37 -9.887 5.676 -0.097 1.00 0.00 O ATOM 541 CB PRO A 37 -8.215 8.857 -0.546 1.00 0.00 C ATOM 542 CG PRO A 37 -7.197 9.175 -1.659 1.00 0.00 C ATOM 543 CD PRO A 37 -6.556 7.862 -2.130 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.342 7.371 -1.347 1.00 0.00 O ATOM 0 HA PRO A 37 -8.004 7.075 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.209 9.197 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.951 9.386 0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.692 9.674 -2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.432 9.857 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.743 7.677 -3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.475 7.868 -1.993 1.00 0.00 H new