USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 517 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 163 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 164 LYS NZ :NH3+ 166:sc= -0.0557 (180deg=-0.287) USER MOD Single : A 165 GLN : amide:sc= -0.34 K(o=-0.34,f=-4.6!) USER MOD Single : A 167 THR OG1 : rot -140:sc= 0 USER MOD Single : A 173 CYS SG : rot 38:sc= 0.127 USER MOD Single : A 176 THR OG1 : rot -150:sc= -1.06 USER MOD Single : A 180 SER OG : rot -130:sc= -0.343 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 172:sc= -0.0146 (180deg=-0.0688) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 195 CYS SG : rot 101:sc= 0.574 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 215 SER OG : rot -25:sc= 0.403 USER MOD Single : A 218 THR OG1 : rot 94:sc= 0.154 USER MOD Single : A 223 HIS : no HD1:sc= 0.648 K(o=0.65,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 15.437 -1.466 0.681 1.00 0.42 N ATOM 66 CA PRO A 155 14.424 -0.469 1.023 1.00 0.38 C ATOM 67 C PRO A 155 13.029 -1.078 1.114 1.00 0.33 C ATOM 68 O PRO A 155 12.707 -2.024 0.390 1.00 0.33 O ATOM 69 CB PRO A 155 14.510 0.480 -0.159 1.00 0.40 C ATOM 70 CG PRO A 155 14.768 -0.429 -1.301 1.00 0.39 C ATOM 71 CD PRO A 155 15.747 -1.443 -0.770 1.00 0.43 C ATOM 0 HA PRO A 155 14.592 -0.004 1.994 1.00 0.38 H new ATOM 0 HB2 PRO A 155 13.586 1.043 -0.292 1.00 0.40 H new ATOM 0 HB3 PRO A 155 15.311 1.208 -0.034 1.00 0.40 H new ATOM 0 HG2 PRO A 155 13.849 -0.907 -1.642 1.00 0.39 H new ATOM 0 HG3 PRO A 155 15.181 0.112 -2.152 1.00 0.39 H new ATOM 0 HD2 PRO A 155 15.606 -2.421 -1.230 1.00 0.43 H new ATOM 0 HD3 PRO A 155 16.779 -1.147 -0.959 1.00 0.43 H new ATOM 79 N ILE A 156 12.202 -0.533 1.990 1.00 0.33 N ATOM 80 CA ILE A 156 10.848 -1.030 2.161 1.00 0.29 C ATOM 81 C ILE A 156 9.847 0.109 2.340 1.00 0.29 C ATOM 82 O ILE A 156 10.190 1.192 2.817 1.00 0.37 O ATOM 83 CB ILE A 156 10.742 -2.023 3.347 1.00 0.31 C ATOM 84 CG1 ILE A 156 11.567 -1.552 4.548 1.00 0.38 C ATOM 85 CG2 ILE A 156 11.167 -3.423 2.926 1.00 0.37 C ATOM 86 CD1 ILE A 156 10.834 -0.599 5.466 1.00 0.79 C ATOM 0 H ILE A 156 12.444 0.253 2.593 1.00 0.33 H new ATOM 0 HA ILE A 156 10.599 -1.566 1.245 1.00 0.29 H new ATOM 0 HB ILE A 156 9.696 -2.057 3.651 1.00 0.31 H new ATOM 0 HG12 ILE A 156 11.882 -2.423 5.123 1.00 0.38 H new ATOM 0 HG13 ILE A 156 12.472 -1.065 4.185 1.00 0.38 H new ATOM 0 HG21 ILE A 156 11.083 -4.100 3.776 1.00 0.37 H new ATOM 0 HG22 ILE A 156 10.522 -3.772 2.120 1.00 0.37 H new ATOM 0 HG23 ILE A 156 12.200 -3.401 2.580 1.00 0.37 H new ATOM 0 HD11 ILE A 156 11.487 -0.313 6.291 1.00 0.79 H new ATOM 0 HD12 ILE A 156 10.543 0.291 4.909 1.00 0.79 H new ATOM 0 HD13 ILE A 156 9.943 -1.087 5.861 1.00 0.79 H new ATOM 98 N VAL A 157 8.623 -0.141 1.915 1.00 0.25 N ATOM 99 CA VAL A 157 7.519 0.777 2.087 1.00 0.27 C ATOM 100 C VAL A 157 6.321 0.012 2.655 1.00 0.21 C ATOM 101 O VAL A 157 5.985 -1.080 2.194 1.00 0.25 O ATOM 102 CB VAL A 157 7.171 1.512 0.766 1.00 0.38 C ATOM 103 CG1 VAL A 157 7.368 0.629 -0.453 1.00 1.05 C ATOM 104 CG2 VAL A 157 5.761 2.072 0.819 1.00 0.91 C ATOM 0 H VAL A 157 8.366 -1.002 1.433 1.00 0.25 H new ATOM 0 HA VAL A 157 7.806 1.556 2.794 1.00 0.27 H new ATOM 0 HB VAL A 157 7.868 2.344 0.665 1.00 0.38 H new ATOM 0 HG11 VAL A 157 7.111 1.188 -1.353 1.00 1.05 H new ATOM 0 HG12 VAL A 157 8.409 0.311 -0.508 1.00 1.05 H new ATOM 0 HG13 VAL A 157 6.725 -0.248 -0.375 1.00 1.05 H new ATOM 0 HG21 VAL A 157 5.537 2.583 -0.117 1.00 0.91 H new ATOM 0 HG22 VAL A 157 5.051 1.258 0.966 1.00 0.91 H new ATOM 0 HG23 VAL A 157 5.681 2.777 1.646 1.00 0.91 H new ATOM 114 N ARG A 158 5.707 0.583 3.676 1.00 0.21 N ATOM 115 CA ARG A 158 4.715 -0.116 4.479 1.00 0.21 C ATOM 116 C ARG A 158 3.306 0.319 4.111 1.00 0.21 C ATOM 117 O ARG A 158 3.016 1.506 4.050 1.00 0.32 O ATOM 118 CB ARG A 158 4.973 0.157 5.962 1.00 0.26 C ATOM 119 CG ARG A 158 6.379 -0.221 6.411 1.00 0.29 C ATOM 120 CD ARG A 158 6.632 0.132 7.869 1.00 0.49 C ATOM 121 NE ARG A 158 6.511 1.567 8.132 1.00 1.36 N ATOM 122 CZ ARG A 158 7.527 2.351 8.504 1.00 1.81 C ATOM 123 NH1 ARG A 158 8.753 1.854 8.634 1.00 1.70 N ATOM 124 NH2 ARG A 158 7.313 3.637 8.756 1.00 2.87 N ATOM 0 H ARG A 158 5.881 1.543 3.973 1.00 0.21 H new ATOM 0 HA ARG A 158 4.802 -1.184 4.281 1.00 0.21 H new ATOM 0 HB2 ARG A 158 4.808 1.215 6.163 1.00 0.26 H new ATOM 0 HB3 ARG A 158 4.248 -0.398 6.557 1.00 0.26 H new ATOM 0 HG2 ARG A 158 6.529 -1.291 6.267 1.00 0.29 H new ATOM 0 HG3 ARG A 158 7.109 0.291 5.783 1.00 0.29 H new ATOM 0 HD2 ARG A 158 5.925 -0.409 8.498 1.00 0.49 H new ATOM 0 HD3 ARG A 158 7.630 -0.202 8.152 1.00 0.49 H new ATOM 0 HE ARG A 158 5.592 1.996 8.024 1.00 1.36 H new ATOM 0 HH11 ARG A 158 8.925 0.866 8.449 1.00 1.70 H new ATOM 0 HH12 ARG A 158 9.522 2.461 8.918 1.00 1.70 H new ATOM 0 HH21 ARG A 158 6.374 4.025 8.666 1.00 2.87 H new ATOM 0 HH22 ARG A 158 8.088 4.237 9.040 1.00 2.87 H new ATOM 138 N VAL A 159 2.441 -0.649 3.863 1.00 0.20 N ATOM 139 CA VAL A 159 1.043 -0.366 3.524 1.00 0.21 C ATOM 140 C VAL A 159 0.094 -0.820 4.618 1.00 0.23 C ATOM 141 O VAL A 159 0.058 -1.991 4.965 1.00 0.36 O ATOM 142 CB VAL A 159 0.601 -1.079 2.236 1.00 0.28 C ATOM 143 CG1 VAL A 159 -0.794 -0.633 1.834 1.00 0.42 C ATOM 144 CG2 VAL A 159 1.583 -0.829 1.111 1.00 0.35 C ATOM 0 H VAL A 159 2.675 -1.641 3.888 1.00 0.20 H new ATOM 0 HA VAL A 159 0.997 0.715 3.395 1.00 0.21 H new ATOM 0 HB VAL A 159 0.581 -2.151 2.433 1.00 0.28 H new ATOM 0 HG11 VAL A 159 -1.091 -1.147 0.920 1.00 0.42 H new ATOM 0 HG12 VAL A 159 -1.497 -0.874 2.631 1.00 0.42 H new ATOM 0 HG13 VAL A 159 -0.796 0.443 1.662 1.00 0.42 H new ATOM 0 HG21 VAL A 159 1.246 -1.345 0.212 1.00 0.35 H new ATOM 0 HG22 VAL A 159 1.645 0.241 0.913 1.00 0.35 H new ATOM 0 HG23 VAL A 159 2.566 -1.203 1.397 1.00 0.35 H new ATOM 154 N PHE A 160 -0.690 0.098 5.136 1.00 0.22 N ATOM 155 CA PHE A 160 -1.745 -0.248 6.066 1.00 0.22 C ATOM 156 C PHE A 160 -2.911 -0.894 5.318 1.00 0.24 C ATOM 157 O PHE A 160 -3.668 -0.206 4.628 1.00 0.28 O ATOM 158 CB PHE A 160 -2.241 0.998 6.795 1.00 0.25 C ATOM 159 CG PHE A 160 -1.284 1.548 7.817 1.00 0.30 C ATOM 160 CD1 PHE A 160 -0.105 2.173 7.432 1.00 0.38 C ATOM 161 CD2 PHE A 160 -1.579 1.458 9.166 1.00 0.48 C ATOM 162 CE1 PHE A 160 0.757 2.693 8.376 1.00 0.46 C ATOM 163 CE2 PHE A 160 -0.718 1.972 10.113 1.00 0.58 C ATOM 164 CZ PHE A 160 0.450 2.591 9.718 1.00 0.51 C ATOM 0 H PHE A 160 -0.618 1.094 4.929 1.00 0.22 H new ATOM 0 HA PHE A 160 -1.345 -0.953 6.795 1.00 0.22 H new ATOM 0 HB2 PHE A 160 -2.451 1.774 6.059 1.00 0.25 H new ATOM 0 HB3 PHE A 160 -3.184 0.763 7.289 1.00 0.25 H new ATOM 0 HD1 PHE A 160 0.140 2.253 6.383 1.00 0.38 H new ATOM 0 HD2 PHE A 160 -2.494 0.979 9.481 1.00 0.48 H new ATOM 0 HE1 PHE A 160 1.670 3.179 8.065 1.00 0.46 H new ATOM 0 HE2 PHE A 160 -0.958 1.890 11.163 1.00 0.58 H new ATOM 0 HZ PHE A 160 1.124 2.996 10.459 1.00 0.51 H new ATOM 174 N LEU A 161 -3.026 -2.216 5.421 1.00 0.27 N ATOM 175 CA LEU A 161 -4.185 -2.927 4.874 1.00 0.33 C ATOM 176 C LEU A 161 -5.459 -2.495 5.590 1.00 0.33 C ATOM 177 O LEU A 161 -5.409 -1.925 6.687 1.00 0.37 O ATOM 178 CB LEU A 161 -4.072 -4.464 5.014 1.00 0.49 C ATOM 179 CG LEU A 161 -2.810 -5.135 4.466 1.00 0.72 C ATOM 180 CD1 LEU A 161 -2.222 -4.323 3.344 1.00 1.46 C ATOM 181 CD2 LEU A 161 -1.794 -5.353 5.565 1.00 0.98 C ATOM 0 H LEU A 161 -2.337 -2.816 5.875 1.00 0.27 H new ATOM 0 HA LEU A 161 -4.217 -2.672 3.815 1.00 0.33 H new ATOM 0 HB2 LEU A 161 -4.151 -4.712 6.073 1.00 0.49 H new ATOM 0 HB3 LEU A 161 -4.933 -4.911 4.517 1.00 0.49 H new ATOM 0 HG LEU A 161 -3.089 -6.111 4.069 1.00 0.72 H new ATOM 0 HD11 LEU A 161 -1.326 -4.817 2.968 1.00 1.46 H new ATOM 0 HD12 LEU A 161 -2.951 -4.233 2.539 1.00 1.46 H new ATOM 0 HD13 LEU A 161 -1.962 -3.330 3.711 1.00 1.46 H new ATOM 0 HD21 LEU A 161 -0.906 -5.831 5.150 1.00 0.98 H new ATOM 0 HD22 LEU A 161 -1.519 -4.393 6.002 1.00 0.98 H new ATOM 0 HD23 LEU A 161 -2.224 -5.992 6.336 1.00 0.98 H new ATOM 193 N PRO A 162 -6.613 -2.742 4.959 1.00 0.38 N ATOM 194 CA PRO A 162 -7.920 -2.631 5.602 1.00 0.43 C ATOM 195 C PRO A 162 -7.942 -3.276 6.986 1.00 0.42 C ATOM 196 O PRO A 162 -7.178 -4.206 7.259 1.00 0.40 O ATOM 197 CB PRO A 162 -8.834 -3.404 4.654 1.00 0.49 C ATOM 198 CG PRO A 162 -8.210 -3.251 3.311 1.00 0.50 C ATOM 199 CD PRO A 162 -6.729 -3.104 3.539 1.00 0.46 C ATOM 0 HA PRO A 162 -8.211 -1.593 5.762 1.00 0.43 H new ATOM 0 HB2 PRO A 162 -8.903 -4.453 4.940 1.00 0.49 H new ATOM 0 HB3 PRO A 162 -9.847 -3.002 4.667 1.00 0.49 H new ATOM 0 HG2 PRO A 162 -8.421 -4.118 2.685 1.00 0.50 H new ATOM 0 HG3 PRO A 162 -8.611 -2.379 2.795 1.00 0.50 H new ATOM 0 HD2 PRO A 162 -6.199 -4.031 3.321 1.00 0.46 H new ATOM 0 HD3 PRO A 162 -6.302 -2.334 2.896 1.00 0.46 H new ATOM 207 N ASN A 163 -8.812 -2.767 7.851 1.00 0.51 N ATOM 208 CA ASN A 163 -8.980 -3.290 9.206 1.00 0.54 C ATOM 209 C ASN A 163 -7.750 -3.004 10.064 1.00 0.48 C ATOM 210 O ASN A 163 -7.473 -3.718 11.031 1.00 0.53 O ATOM 211 CB ASN A 163 -9.295 -4.794 9.186 1.00 0.60 C ATOM 212 CG ASN A 163 -10.621 -5.101 8.512 1.00 1.26 C ATOM 213 OD1 ASN A 163 -10.685 -5.330 7.300 1.00 2.08 O ATOM 214 ND2 ASN A 163 -11.691 -5.097 9.287 1.00 1.86 N ATOM 0 H ASN A 163 -9.422 -1.979 7.634 1.00 0.51 H new ATOM 0 HA ASN A 163 -9.830 -2.775 9.655 1.00 0.54 H new ATOM 0 HB2 ASN A 163 -8.496 -5.323 8.666 1.00 0.60 H new ATOM 0 HB3 ASN A 163 -9.315 -5.172 10.208 1.00 0.60 H new ATOM 0 HD21 ASN A 163 -12.610 -5.288 8.888 1.00 1.86 H new ATOM 0 HD22 ASN A 163 -11.598 -4.903 10.284 1.00 1.86 H new ATOM 221 N LYS A 164 -7.021 -1.950 9.691 1.00 0.48 N ATOM 222 CA LYS A 164 -5.913 -1.418 10.490 1.00 0.52 C ATOM 223 C LYS A 164 -4.705 -2.351 10.549 1.00 0.44 C ATOM 224 O LYS A 164 -3.950 -2.324 11.522 1.00 0.52 O ATOM 225 CB LYS A 164 -6.384 -1.096 11.912 1.00 0.69 C ATOM 226 CG LYS A 164 -7.325 0.097 12.003 1.00 0.88 C ATOM 227 CD LYS A 164 -6.565 1.415 12.121 1.00 1.22 C ATOM 228 CE LYS A 164 -5.821 1.779 10.846 1.00 2.04 C ATOM 229 NZ LYS A 164 -6.733 1.922 9.684 1.00 2.74 N ATOM 0 H LYS A 164 -7.183 -1.439 8.823 1.00 0.48 H new ATOM 0 HA LYS A 164 -5.588 -0.507 9.987 1.00 0.52 H new ATOM 0 HB2 LYS A 164 -6.885 -1.972 12.324 1.00 0.69 H new ATOM 0 HB3 LYS A 164 -5.512 -0.905 12.537 1.00 0.69 H new ATOM 0 HG2 LYS A 164 -7.963 0.124 11.120 1.00 0.88 H new ATOM 0 HG3 LYS A 164 -7.980 -0.023 12.866 1.00 0.88 H new ATOM 0 HD2 LYS A 164 -7.265 2.213 12.369 1.00 1.22 H new ATOM 0 HD3 LYS A 164 -5.854 1.348 12.945 1.00 1.22 H new ATOM 0 HE2 LYS A 164 -5.280 2.713 10.998 1.00 2.04 H new ATOM 0 HE3 LYS A 164 -5.078 1.012 10.630 1.00 2.04 H new ATOM 0 HZ1 LYS A 164 -6.231 2.394 8.905 1.00 2.74 H new ATOM 0 HZ2 LYS A 164 -7.049 0.981 9.373 1.00 2.74 H new ATOM 0 HZ3 LYS A 164 -7.559 2.491 9.959 1.00 2.74 H new ATOM 243 N GLN A 165 -4.507 -3.167 9.525 1.00 0.36 N ATOM 244 CA GLN A 165 -3.307 -3.981 9.450 1.00 0.37 C ATOM 245 C GLN A 165 -2.250 -3.200 8.729 1.00 0.33 C ATOM 246 O GLN A 165 -2.531 -2.154 8.155 1.00 0.38 O ATOM 247 CB GLN A 165 -3.569 -5.276 8.689 1.00 0.42 C ATOM 248 CG GLN A 165 -4.990 -5.774 8.810 1.00 0.50 C ATOM 249 CD GLN A 165 -5.374 -6.193 10.225 1.00 0.66 C ATOM 250 OE1 GLN A 165 -4.850 -5.678 11.216 1.00 1.33 O ATOM 251 NE2 GLN A 165 -6.296 -7.135 10.327 1.00 1.33 N ATOM 0 H GLN A 165 -5.153 -3.282 8.744 1.00 0.36 H new ATOM 0 HA GLN A 165 -2.988 -4.234 10.461 1.00 0.37 H new ATOM 0 HB2 GLN A 165 -3.336 -5.122 7.635 1.00 0.42 H new ATOM 0 HB3 GLN A 165 -2.891 -6.046 9.056 1.00 0.42 H new ATOM 0 HG2 GLN A 165 -5.670 -4.991 8.475 1.00 0.50 H new ATOM 0 HG3 GLN A 165 -5.127 -6.622 8.140 1.00 0.50 H new ATOM 0 HE21 GLN A 165 -6.708 -7.539 9.486 1.00 1.33 H new ATOM 0 HE22 GLN A 165 -6.595 -7.458 11.247 1.00 1.33 H new ATOM 260 N ARG A 166 -1.040 -3.691 8.754 1.00 0.34 N ATOM 261 CA ARG A 166 0.007 -3.065 8.009 1.00 0.32 C ATOM 262 C ARG A 166 0.982 -4.102 7.511 1.00 0.41 C ATOM 263 O ARG A 166 1.349 -5.022 8.232 1.00 0.79 O ATOM 264 CB ARG A 166 0.709 -2.011 8.847 1.00 0.40 C ATOM 265 CG ARG A 166 1.570 -1.103 8.036 1.00 0.95 C ATOM 266 CD ARG A 166 2.388 -0.199 8.924 1.00 0.96 C ATOM 267 NE ARG A 166 3.122 -0.936 9.949 1.00 1.54 N ATOM 268 CZ ARG A 166 4.063 -0.398 10.723 1.00 1.82 C ATOM 269 NH1 ARG A 166 4.419 0.870 10.568 1.00 1.62 N ATOM 270 NH2 ARG A 166 4.654 -1.136 11.648 1.00 2.49 N ATOM 0 H ARG A 166 -0.760 -4.519 9.281 1.00 0.34 H new ATOM 0 HA ARG A 166 -0.430 -2.563 7.146 1.00 0.32 H new ATOM 0 HB2 ARG A 166 -0.037 -1.419 9.376 1.00 0.40 H new ATOM 0 HB3 ARG A 166 1.320 -2.503 9.603 1.00 0.40 H new ATOM 0 HG2 ARG A 166 2.232 -1.693 7.403 1.00 0.95 H new ATOM 0 HG3 ARG A 166 0.948 -0.502 7.373 1.00 0.95 H new ATOM 0 HD2 ARG A 166 3.092 0.365 8.312 1.00 0.96 H new ATOM 0 HD3 ARG A 166 1.730 0.526 9.403 1.00 0.96 H new ATOM 0 HE ARG A 166 2.901 -1.923 10.080 1.00 1.54 H new ATOM 0 HH11 ARG A 166 3.971 1.442 9.852 1.00 1.62 H new ATOM 0 HH12 ARG A 166 5.141 1.274 11.165 1.00 1.62 H new ATOM 0 HH21 ARG A 166 4.389 -2.114 11.767 1.00 2.49 H new ATOM 0 HH22 ARG A 166 5.375 -0.727 12.243 1.00 2.49 H new ATOM 284 N THR A 167 1.345 -3.961 6.261 1.00 0.25 N ATOM 285 CA THR A 167 2.299 -4.825 5.616 1.00 0.27 C ATOM 286 C THR A 167 3.574 -4.048 5.370 1.00 0.25 C ATOM 287 O THR A 167 3.629 -2.838 5.610 1.00 0.31 O ATOM 288 CB THR A 167 1.758 -5.314 4.251 1.00 0.35 C ATOM 289 OG1 THR A 167 2.407 -6.525 3.851 1.00 0.50 O ATOM 290 CG2 THR A 167 1.993 -4.252 3.191 1.00 0.52 C ATOM 0 H THR A 167 0.979 -3.229 5.653 1.00 0.25 H new ATOM 0 HA THR A 167 2.482 -5.685 6.260 1.00 0.27 H new ATOM 0 HB THR A 167 0.690 -5.502 4.357 1.00 0.35 H new ATOM 0 HG1 THR A 167 2.585 -6.498 2.888 1.00 0.50 H new ATOM 0 HG21 THR A 167 1.610 -4.603 2.233 1.00 0.52 H new ATOM 0 HG22 THR A 167 1.477 -3.335 3.474 1.00 0.52 H new ATOM 0 HG23 THR A 167 3.061 -4.055 3.104 1.00 0.52 H new ATOM 298 N VAL A 168 4.588 -4.732 4.888 1.00 0.25 N ATOM 299 CA VAL A 168 5.759 -4.062 4.381 1.00 0.27 C ATOM 300 C VAL A 168 6.214 -4.762 3.119 1.00 0.25 C ATOM 301 O VAL A 168 6.409 -5.980 3.102 1.00 0.30 O ATOM 302 CB VAL A 168 6.923 -4.064 5.384 1.00 0.39 C ATOM 303 CG1 VAL A 168 7.939 -3.005 5.037 1.00 0.73 C ATOM 304 CG2 VAL A 168 6.434 -3.912 6.816 1.00 0.88 C ATOM 0 H VAL A 168 4.623 -5.750 4.838 1.00 0.25 H new ATOM 0 HA VAL A 168 5.484 -3.024 4.190 1.00 0.27 H new ATOM 0 HB VAL A 168 7.413 -5.035 5.313 1.00 0.39 H new ATOM 0 HG11 VAL A 168 8.752 -3.029 5.763 1.00 0.73 H new ATOM 0 HG12 VAL A 168 8.337 -3.195 4.040 1.00 0.73 H new ATOM 0 HG13 VAL A 168 7.464 -2.024 5.057 1.00 0.73 H new ATOM 0 HG21 VAL A 168 7.287 -3.918 7.494 1.00 0.88 H new ATOM 0 HG22 VAL A 168 5.896 -2.970 6.919 1.00 0.88 H new ATOM 0 HG23 VAL A 168 5.768 -4.739 7.063 1.00 0.88 H new ATOM 314 N VAL A 169 6.377 -3.993 2.071 1.00 0.26 N ATOM 315 CA VAL A 169 6.907 -4.510 0.824 1.00 0.26 C ATOM 316 C VAL A 169 8.184 -3.778 0.473 1.00 0.28 C ATOM 317 O VAL A 169 8.277 -2.566 0.651 1.00 0.29 O ATOM 318 CB VAL A 169 5.921 -4.389 -0.359 1.00 0.32 C ATOM 319 CG1 VAL A 169 4.787 -5.384 -0.214 1.00 1.17 C ATOM 320 CG2 VAL A 169 5.378 -2.976 -0.489 1.00 1.31 C ATOM 0 H VAL A 169 6.150 -2.999 2.053 1.00 0.26 H new ATOM 0 HA VAL A 169 7.092 -5.572 0.983 1.00 0.26 H new ATOM 0 HB VAL A 169 6.471 -4.619 -1.272 1.00 0.32 H new ATOM 0 HG11 VAL A 169 4.104 -5.282 -1.057 1.00 1.17 H new ATOM 0 HG12 VAL A 169 5.191 -6.396 -0.194 1.00 1.17 H new ATOM 0 HG13 VAL A 169 4.249 -5.190 0.714 1.00 1.17 H new ATOM 0 HG21 VAL A 169 4.688 -2.928 -1.331 1.00 1.31 H new ATOM 0 HG22 VAL A 169 4.853 -2.702 0.426 1.00 1.31 H new ATOM 0 HG23 VAL A 169 6.203 -2.283 -0.656 1.00 1.31 H new ATOM 330 N PRO A 170 9.203 -4.509 0.020 1.00 0.31 N ATOM 331 CA PRO A 170 10.414 -3.898 -0.505 1.00 0.32 C ATOM 332 C PRO A 170 10.076 -2.900 -1.598 1.00 0.28 C ATOM 333 O PRO A 170 9.138 -3.119 -2.369 1.00 0.33 O ATOM 334 CB PRO A 170 11.195 -5.077 -1.086 1.00 0.40 C ATOM 335 CG PRO A 170 10.692 -6.271 -0.353 1.00 0.59 C ATOM 336 CD PRO A 170 9.262 -5.979 0.002 1.00 0.39 C ATOM 0 HA PRO A 170 10.973 -3.350 0.254 1.00 0.32 H new ATOM 0 HB2 PRO A 170 11.026 -5.172 -2.159 1.00 0.40 H new ATOM 0 HB3 PRO A 170 12.268 -4.949 -0.943 1.00 0.40 H new ATOM 0 HG2 PRO A 170 10.764 -7.165 -0.972 1.00 0.59 H new ATOM 0 HG3 PRO A 170 11.285 -6.455 0.543 1.00 0.59 H new ATOM 0 HD2 PRO A 170 8.573 -6.399 -0.731 1.00 0.39 H new ATOM 0 HD3 PRO A 170 8.995 -6.403 0.970 1.00 0.39 H new ATOM 344 N ALA A 171 10.811 -1.799 -1.644 1.00 0.24 N ATOM 345 CA ALA A 171 10.623 -0.812 -2.692 1.00 0.21 C ATOM 346 C ALA A 171 11.080 -1.394 -4.011 1.00 0.24 C ATOM 347 O ALA A 171 12.197 -1.146 -4.473 1.00 0.35 O ATOM 348 CB ALA A 171 11.373 0.463 -2.380 1.00 0.21 C ATOM 0 H ALA A 171 11.540 -1.569 -0.969 1.00 0.24 H new ATOM 0 HA ALA A 171 9.565 -0.560 -2.756 1.00 0.21 H new ATOM 0 HB1 ALA A 171 11.214 1.184 -3.182 1.00 0.21 H new ATOM 0 HB2 ALA A 171 11.009 0.879 -1.441 1.00 0.21 H new ATOM 0 HB3 ALA A 171 12.438 0.247 -2.292 1.00 0.21 H new ATOM 354 N ARG A 172 10.207 -2.188 -4.589 1.00 0.26 N ATOM 355 CA ARG A 172 10.500 -2.910 -5.796 1.00 0.29 C ATOM 356 C ARG A 172 10.613 -1.943 -6.962 1.00 0.27 C ATOM 357 O ARG A 172 9.626 -1.341 -7.387 1.00 0.27 O ATOM 358 CB ARG A 172 9.393 -3.939 -6.025 1.00 0.33 C ATOM 359 CG ARG A 172 9.388 -5.070 -5.007 1.00 0.46 C ATOM 360 CD ARG A 172 10.670 -5.888 -5.056 1.00 0.56 C ATOM 361 NE ARG A 172 10.873 -6.506 -6.364 1.00 1.33 N ATOM 362 CZ ARG A 172 11.826 -7.393 -6.629 1.00 1.81 C ATOM 363 NH1 ARG A 172 12.669 -7.773 -5.676 1.00 1.58 N ATOM 364 NH2 ARG A 172 11.935 -7.897 -7.850 1.00 2.81 N ATOM 0 H ARG A 172 9.267 -2.349 -4.228 1.00 0.26 H new ATOM 0 HA ARG A 172 11.454 -3.431 -5.710 1.00 0.29 H new ATOM 0 HB2 ARG A 172 8.428 -3.433 -5.997 1.00 0.33 H new ATOM 0 HB3 ARG A 172 9.503 -4.362 -7.024 1.00 0.33 H new ATOM 0 HG2 ARG A 172 9.260 -4.657 -4.007 1.00 0.46 H new ATOM 0 HG3 ARG A 172 8.535 -5.722 -5.194 1.00 0.46 H new ATOM 0 HD2 ARG A 172 11.519 -5.246 -4.822 1.00 0.56 H new ATOM 0 HD3 ARG A 172 10.636 -6.663 -4.290 1.00 0.56 H new ATOM 0 HE ARG A 172 10.244 -6.240 -7.121 1.00 1.33 H new ATOM 0 HH11 ARG A 172 12.586 -7.384 -4.737 1.00 1.58 H new ATOM 0 HH12 ARG A 172 13.399 -8.454 -5.883 1.00 1.58 H new ATOM 0 HH21 ARG A 172 11.289 -7.604 -8.582 1.00 2.81 H new ATOM 0 HH22 ARG A 172 12.665 -8.578 -8.057 1.00 2.81 H new ATOM 378 N CYS A 173 11.822 -1.785 -7.468 1.00 0.30 N ATOM 379 CA CYS A 173 12.074 -0.834 -8.529 1.00 0.32 C ATOM 380 C CYS A 173 11.785 -1.462 -9.881 1.00 0.31 C ATOM 381 O CYS A 173 12.428 -2.433 -10.284 1.00 0.41 O ATOM 382 CB CYS A 173 13.513 -0.328 -8.446 1.00 0.40 C ATOM 383 SG CYS A 173 14.750 -1.640 -8.291 1.00 1.44 S ATOM 0 H CYS A 173 12.644 -2.304 -7.160 1.00 0.30 H new ATOM 0 HA CYS A 173 11.407 0.020 -8.410 1.00 0.32 H new ATOM 0 HB2 CYS A 173 13.732 0.260 -9.337 1.00 0.40 H new ATOM 0 HB3 CYS A 173 13.602 0.343 -7.592 1.00 0.40 H new ATOM 0 HG CYS A 173 14.402 -2.654 -9.027 1.00 1.44 H new ATOM 389 N GLY A 174 10.807 -0.911 -10.574 1.00 0.30 N ATOM 390 CA GLY A 174 10.377 -1.492 -11.823 1.00 0.33 C ATOM 391 C GLY A 174 9.047 -2.195 -11.678 1.00 0.30 C ATOM 392 O GLY A 174 8.741 -3.121 -12.431 1.00 0.43 O ATOM 0 H GLY A 174 10.302 -0.070 -10.294 1.00 0.30 H new ATOM 0 HA2 GLY A 174 10.297 -0.712 -12.580 1.00 0.33 H new ATOM 0 HA3 GLY A 174 11.128 -2.200 -12.174 1.00 0.33 H new ATOM 396 N VAL A 175 8.270 -1.789 -10.680 1.00 0.25 N ATOM 397 CA VAL A 175 6.958 -2.371 -10.462 1.00 0.28 C ATOM 398 C VAL A 175 5.969 -1.315 -9.989 1.00 0.26 C ATOM 399 O VAL A 175 6.354 -0.278 -9.438 1.00 0.35 O ATOM 400 CB VAL A 175 7.012 -3.531 -9.442 1.00 0.35 C ATOM 401 CG1 VAL A 175 7.055 -3.006 -8.030 1.00 0.69 C ATOM 402 CG2 VAL A 175 5.830 -4.465 -9.599 1.00 0.97 C ATOM 0 H VAL A 175 8.528 -1.062 -10.013 1.00 0.25 H new ATOM 0 HA VAL A 175 6.621 -2.772 -11.418 1.00 0.28 H new ATOM 0 HB VAL A 175 7.925 -4.091 -9.643 1.00 0.35 H new ATOM 0 HG11 VAL A 175 7.093 -3.842 -7.332 1.00 0.69 H new ATOM 0 HG12 VAL A 175 7.941 -2.384 -7.900 1.00 0.69 H new ATOM 0 HG13 VAL A 175 6.163 -2.411 -7.836 1.00 0.69 H new ATOM 0 HG21 VAL A 175 5.901 -5.268 -8.866 1.00 0.97 H new ATOM 0 HG22 VAL A 175 4.905 -3.911 -9.441 1.00 0.97 H new ATOM 0 HG23 VAL A 175 5.832 -4.889 -10.603 1.00 0.97 H new ATOM 412 N THR A 176 4.697 -1.584 -10.218 1.00 0.22 N ATOM 413 CA THR A 176 3.636 -0.691 -9.814 1.00 0.25 C ATOM 414 C THR A 176 3.096 -1.073 -8.441 1.00 0.23 C ATOM 415 O THR A 176 3.312 -2.205 -7.972 1.00 0.25 O ATOM 416 CB THR A 176 2.491 -0.722 -10.835 1.00 0.31 C ATOM 417 OG1 THR A 176 2.135 -2.080 -11.114 1.00 0.47 O ATOM 418 CG2 THR A 176 2.891 -0.028 -12.124 1.00 0.40 C ATOM 0 H THR A 176 4.374 -2.429 -10.690 1.00 0.22 H new ATOM 0 HA THR A 176 4.050 0.316 -9.764 1.00 0.25 H new ATOM 0 HB THR A 176 1.638 -0.194 -10.410 1.00 0.31 H new ATOM 0 HG1 THR A 176 1.797 -2.148 -12.031 1.00 0.47 H new ATOM 0 HG21 THR A 176 2.061 -0.065 -12.830 1.00 0.40 H new ATOM 0 HG22 THR A 176 3.143 1.011 -11.914 1.00 0.40 H new ATOM 0 HG23 THR A 176 3.756 -0.532 -12.555 1.00 0.40 H new ATOM 426 N VAL A 177 2.405 -0.133 -7.799 1.00 0.25 N ATOM 427 CA VAL A 177 1.801 -0.380 -6.496 1.00 0.27 C ATOM 428 C VAL A 177 1.018 -1.678 -6.526 1.00 0.24 C ATOM 429 O VAL A 177 1.229 -2.540 -5.681 1.00 0.28 O ATOM 430 CB VAL A 177 0.839 0.754 -6.062 1.00 0.34 C ATOM 431 CG1 VAL A 177 0.425 0.589 -4.608 1.00 1.20 C ATOM 432 CG2 VAL A 177 1.451 2.124 -6.283 1.00 1.39 C ATOM 0 H VAL A 177 2.251 0.807 -8.163 1.00 0.25 H new ATOM 0 HA VAL A 177 2.620 -0.431 -5.778 1.00 0.27 H new ATOM 0 HB VAL A 177 -0.050 0.680 -6.688 1.00 0.34 H new ATOM 0 HG11 VAL A 177 -0.250 1.398 -4.328 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -0.082 -0.368 -4.480 1.00 1.20 H new ATOM 0 HG13 VAL A 177 1.310 0.619 -3.972 1.00 1.20 H new ATOM 0 HG21 VAL A 177 0.746 2.893 -5.967 1.00 1.39 H new ATOM 0 HG22 VAL A 177 2.368 2.211 -5.701 1.00 1.39 H new ATOM 0 HG23 VAL A 177 1.679 2.254 -7.341 1.00 1.39 H new ATOM 442 N ARG A 178 0.166 -1.827 -7.543 1.00 0.23 N ATOM 443 CA ARG A 178 -0.776 -2.942 -7.612 1.00 0.26 C ATOM 444 C ARG A 178 -0.129 -4.291 -7.353 1.00 0.23 C ATOM 445 O ARG A 178 -0.663 -5.087 -6.603 1.00 0.33 O ATOM 446 CB ARG A 178 -1.519 -2.969 -8.938 1.00 0.39 C ATOM 447 CG ARG A 178 -0.624 -2.977 -10.150 1.00 0.85 C ATOM 448 CD ARG A 178 -1.205 -2.077 -11.205 1.00 1.65 C ATOM 449 NE ARG A 178 -2.454 -2.605 -11.752 1.00 2.02 N ATOM 450 CZ ARG A 178 -3.061 -2.132 -12.840 1.00 2.82 C ATOM 451 NH1 ARG A 178 -2.502 -1.164 -13.562 1.00 3.53 N ATOM 452 NH2 ARG A 178 -4.229 -2.642 -13.211 1.00 3.28 N ATOM 0 H ARG A 178 0.111 -1.184 -8.333 1.00 0.23 H new ATOM 0 HA ARG A 178 -1.491 -2.766 -6.808 1.00 0.26 H new ATOM 0 HB2 ARG A 178 -2.157 -3.853 -8.966 1.00 0.39 H new ATOM 0 HB3 ARG A 178 -2.175 -2.100 -8.991 1.00 0.39 H new ATOM 0 HG2 ARG A 178 0.377 -2.640 -9.879 1.00 0.85 H new ATOM 0 HG3 ARG A 178 -0.525 -3.992 -10.536 1.00 0.85 H new ATOM 0 HD2 ARG A 178 -1.385 -1.090 -10.780 1.00 1.65 H new ATOM 0 HD3 ARG A 178 -0.482 -1.950 -12.011 1.00 1.65 H new ATOM 0 HE ARG A 178 -2.891 -3.389 -11.268 1.00 2.02 H new ATOM 0 HH11 ARG A 178 -1.600 -0.777 -13.284 1.00 3.53 H new ATOM 0 HH12 ARG A 178 -2.975 -0.809 -14.393 1.00 3.53 H new ATOM 0 HH21 ARG A 178 -4.655 -3.390 -12.665 1.00 3.28 H new ATOM 0 HH22 ARG A 178 -4.700 -2.286 -14.042 1.00 3.28 H new ATOM 466 N ASP A 179 1.021 -4.538 -7.952 1.00 0.20 N ATOM 467 CA ASP A 179 1.690 -5.825 -7.802 1.00 0.19 C ATOM 468 C ASP A 179 2.258 -5.960 -6.403 1.00 0.17 C ATOM 469 O ASP A 179 2.004 -6.940 -5.692 1.00 0.18 O ATOM 470 CB ASP A 179 2.821 -5.962 -8.819 1.00 0.23 C ATOM 471 CG ASP A 179 3.436 -7.348 -8.821 1.00 0.32 C ATOM 472 OD1 ASP A 179 4.334 -7.610 -7.994 1.00 1.12 O ATOM 473 OD2 ASP A 179 3.028 -8.179 -9.658 1.00 1.19 O ATOM 0 H ASP A 179 1.513 -3.870 -8.546 1.00 0.20 H new ATOM 0 HA ASP A 179 0.956 -6.612 -7.974 1.00 0.19 H new ATOM 0 HB2 ASP A 179 2.439 -5.736 -9.815 1.00 0.23 H new ATOM 0 HB3 ASP A 179 3.594 -5.225 -8.599 1.00 0.23 H new ATOM 478 N SER A 180 2.993 -4.942 -5.997 1.00 0.17 N ATOM 479 CA SER A 180 3.677 -4.967 -4.727 1.00 0.18 C ATOM 480 C SER A 180 2.684 -5.078 -3.576 1.00 0.17 C ATOM 481 O SER A 180 2.836 -5.919 -2.677 1.00 0.19 O ATOM 482 CB SER A 180 4.563 -3.726 -4.615 1.00 0.22 C ATOM 483 OG SER A 180 5.834 -3.960 -5.196 1.00 1.34 O ATOM 0 H SER A 180 3.129 -4.086 -6.534 1.00 0.17 H new ATOM 0 HA SER A 180 4.314 -5.849 -4.666 1.00 0.18 H new ATOM 0 HB2 SER A 180 4.081 -2.884 -5.111 1.00 0.22 H new ATOM 0 HB3 SER A 180 4.682 -3.452 -3.567 1.00 0.22 H new ATOM 0 HG SER A 180 6.536 -3.689 -4.568 1.00 1.34 H new ATOM 489 N LEU A 181 1.633 -4.284 -3.610 1.00 0.17 N ATOM 490 CA LEU A 181 0.721 -4.283 -2.516 1.00 0.18 C ATOM 491 C LEU A 181 -0.485 -5.209 -2.744 1.00 0.18 C ATOM 492 O LEU A 181 -1.293 -5.380 -1.845 1.00 0.20 O ATOM 493 CB LEU A 181 0.365 -2.837 -2.136 1.00 0.24 C ATOM 494 CG LEU A 181 -0.904 -2.193 -2.692 1.00 0.35 C ATOM 495 CD1 LEU A 181 -1.249 -2.674 -4.079 1.00 1.08 C ATOM 496 CD2 LEU A 181 -2.048 -2.391 -1.720 1.00 0.96 C ATOM 0 H LEU A 181 1.403 -3.648 -4.373 1.00 0.17 H new ATOM 0 HA LEU A 181 1.209 -4.722 -1.646 1.00 0.18 H new ATOM 0 HB2 LEU A 181 0.301 -2.794 -1.049 1.00 0.24 H new ATOM 0 HB3 LEU A 181 1.205 -2.208 -2.432 1.00 0.24 H new ATOM 0 HG LEU A 181 -0.716 -1.125 -2.798 1.00 0.35 H new ATOM 0 HD11 LEU A 181 -2.160 -2.181 -4.419 1.00 1.08 H new ATOM 0 HD12 LEU A 181 -0.432 -2.437 -4.760 1.00 1.08 H new ATOM 0 HD13 LEU A 181 -1.405 -3.753 -4.062 1.00 1.08 H new ATOM 0 HD21 LEU A 181 -2.950 -1.930 -2.121 1.00 0.96 H new ATOM 0 HD22 LEU A 181 -2.220 -3.457 -1.573 1.00 0.96 H new ATOM 0 HD23 LEU A 181 -1.798 -1.929 -0.765 1.00 0.96 H new ATOM 508 N LYS A 182 -0.620 -5.842 -3.918 1.00 0.18 N ATOM 509 CA LYS A 182 -1.604 -6.921 -4.010 1.00 0.22 C ATOM 510 C LYS A 182 -1.110 -8.055 -3.141 1.00 0.22 C ATOM 511 O LYS A 182 -1.890 -8.743 -2.485 1.00 0.25 O ATOM 512 CB LYS A 182 -1.865 -7.423 -5.437 1.00 0.32 C ATOM 513 CG LYS A 182 -0.681 -8.099 -6.093 1.00 0.75 C ATOM 514 CD LYS A 182 -1.049 -8.706 -7.440 1.00 0.76 C ATOM 515 CE LYS A 182 -1.626 -7.672 -8.397 1.00 0.80 C ATOM 516 NZ LYS A 182 -1.938 -8.260 -9.725 1.00 1.15 N ATOM 0 H LYS A 182 -0.094 -5.641 -4.768 1.00 0.18 H new ATOM 0 HA LYS A 182 -2.563 -6.528 -3.672 1.00 0.22 H new ATOM 0 HB2 LYS A 182 -2.700 -8.123 -5.415 1.00 0.32 H new ATOM 0 HB3 LYS A 182 -2.173 -6.579 -6.054 1.00 0.32 H new ATOM 0 HG2 LYS A 182 0.122 -7.374 -6.228 1.00 0.75 H new ATOM 0 HG3 LYS A 182 -0.298 -8.879 -5.435 1.00 0.75 H new ATOM 0 HD2 LYS A 182 -0.164 -9.158 -7.887 1.00 0.76 H new ATOM 0 HD3 LYS A 182 -1.775 -9.505 -7.291 1.00 0.76 H new ATOM 0 HE2 LYS A 182 -2.532 -7.245 -7.967 1.00 0.80 H new ATOM 0 HE3 LYS A 182 -0.916 -6.854 -8.520 1.00 0.80 H new ATOM 0 HZ1 LYS A 182 -2.329 -7.524 -10.347 1.00 1.15 H new ATOM 0 HZ2 LYS A 182 -1.069 -8.645 -10.147 1.00 1.15 H new ATOM 0 HZ3 LYS A 182 -2.635 -9.023 -9.612 1.00 1.15 H new ATOM 530 N LYS A 183 0.210 -8.216 -3.120 1.00 0.22 N ATOM 531 CA LYS A 183 0.837 -9.127 -2.189 1.00 0.25 C ATOM 532 C LYS A 183 0.616 -8.631 -0.760 1.00 0.23 C ATOM 533 O LYS A 183 0.429 -9.434 0.148 1.00 0.26 O ATOM 534 CB LYS A 183 2.327 -9.282 -2.504 1.00 0.33 C ATOM 535 CG LYS A 183 3.075 -10.159 -1.514 1.00 0.40 C ATOM 536 CD LYS A 183 3.797 -9.327 -0.467 1.00 1.18 C ATOM 537 CE LYS A 183 5.262 -9.115 -0.820 1.00 1.31 C ATOM 538 NZ LYS A 183 5.447 -8.523 -2.174 1.00 1.80 N ATOM 0 H LYS A 183 0.857 -7.726 -3.737 1.00 0.22 H new ATOM 0 HA LYS A 183 0.381 -10.112 -2.287 1.00 0.25 H new ATOM 0 HB2 LYS A 183 2.436 -9.704 -3.503 1.00 0.33 H new ATOM 0 HB3 LYS A 183 2.789 -8.295 -2.523 1.00 0.33 H new ATOM 0 HG2 LYS A 183 2.374 -10.835 -1.023 1.00 0.40 H new ATOM 0 HG3 LYS A 183 3.795 -10.779 -2.048 1.00 0.40 H new ATOM 0 HD2 LYS A 183 3.304 -8.360 -0.369 1.00 1.18 H new ATOM 0 HD3 LYS A 183 3.725 -9.821 0.502 1.00 1.18 H new ATOM 0 HE2 LYS A 183 5.720 -8.462 -0.077 1.00 1.31 H new ATOM 0 HE3 LYS A 183 5.785 -10.070 -0.771 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 6.448 -8.275 -2.311 1.00 1.80 H new ATOM 0 HZ2 LYS A 183 5.160 -9.213 -2.897 1.00 1.80 H new ATOM 0 HZ3 LYS A 183 4.863 -7.667 -2.261 1.00 1.80 H new ATOM 552 N ALA A 184 0.637 -7.308 -0.569 1.00 0.23 N ATOM 553 CA ALA A 184 0.270 -6.714 0.725 1.00 0.26 C ATOM 554 C ALA A 184 -1.064 -7.268 1.224 1.00 0.25 C ATOM 555 O ALA A 184 -1.148 -7.806 2.331 1.00 0.29 O ATOM 556 CB ALA A 184 0.172 -5.203 0.617 1.00 0.30 C ATOM 0 H ALA A 184 0.901 -6.632 -1.285 1.00 0.23 H new ATOM 0 HA ALA A 184 1.053 -6.975 1.437 1.00 0.26 H new ATOM 0 HB1 ALA A 184 -0.101 -4.786 1.586 1.00 0.30 H new ATOM 0 HB2 ALA A 184 1.134 -4.797 0.305 1.00 0.30 H new ATOM 0 HB3 ALA A 184 -0.588 -4.939 -0.118 1.00 0.30 H new ATOM 562 N LEU A 185 -2.102 -7.129 0.397 1.00 0.23 N ATOM 563 CA LEU A 185 -3.428 -7.650 0.722 1.00 0.26 C ATOM 564 C LEU A 185 -3.363 -9.146 1.010 1.00 0.24 C ATOM 565 O LEU A 185 -3.848 -9.609 2.040 1.00 0.27 O ATOM 566 CB LEU A 185 -4.422 -7.412 -0.431 1.00 0.31 C ATOM 567 CG LEU A 185 -5.038 -6.008 -0.547 1.00 0.50 C ATOM 568 CD1 LEU A 185 -5.597 -5.538 0.778 1.00 1.46 C ATOM 569 CD2 LEU A 185 -4.043 -5.005 -1.081 1.00 1.11 C ATOM 0 H LEU A 185 -2.048 -6.658 -0.506 1.00 0.23 H new ATOM 0 HA LEU A 185 -3.774 -7.117 1.608 1.00 0.26 H new ATOM 0 HB2 LEU A 185 -3.913 -7.636 -1.368 1.00 0.31 H new ATOM 0 HB3 LEU A 185 -5.235 -8.131 -0.330 1.00 0.31 H new ATOM 0 HG LEU A 185 -5.860 -6.081 -1.259 1.00 0.50 H new ATOM 0 HD11 LEU A 185 -6.025 -4.542 0.660 1.00 1.46 H new ATOM 0 HD12 LEU A 185 -6.372 -6.228 1.111 1.00 1.46 H new ATOM 0 HD13 LEU A 185 -4.798 -5.504 1.519 1.00 1.46 H new ATOM 0 HD21 LEU A 185 -4.515 -4.025 -1.149 1.00 1.11 H new ATOM 0 HD22 LEU A 185 -3.186 -4.949 -0.409 1.00 1.11 H new ATOM 0 HD23 LEU A 185 -3.709 -5.316 -2.071 1.00 1.11 H new ATOM 581 N MET A 186 -2.732 -9.888 0.109 1.00 0.22 N ATOM 582 CA MET A 186 -2.742 -11.347 0.165 1.00 0.26 C ATOM 583 C MET A 186 -1.922 -11.888 1.333 1.00 0.29 C ATOM 584 O MET A 186 -2.131 -13.017 1.772 1.00 0.34 O ATOM 585 CB MET A 186 -2.263 -11.933 -1.162 1.00 0.30 C ATOM 586 CG MET A 186 -3.145 -11.518 -2.327 1.00 0.35 C ATOM 587 SD MET A 186 -2.793 -12.404 -3.855 1.00 0.98 S ATOM 588 CE MET A 186 -4.106 -11.770 -4.897 1.00 1.45 C ATOM 0 H MET A 186 -2.204 -9.502 -0.674 1.00 0.22 H new ATOM 0 HA MET A 186 -3.772 -11.661 0.335 1.00 0.26 H new ATOM 0 HB2 MET A 186 -1.239 -11.610 -1.351 1.00 0.30 H new ATOM 0 HB3 MET A 186 -2.246 -13.021 -1.091 1.00 0.30 H new ATOM 0 HG2 MET A 186 -4.188 -11.679 -2.056 1.00 0.35 H new ATOM 0 HG3 MET A 186 -3.022 -10.449 -2.501 1.00 0.35 H new ATOM 0 HE1 MET A 186 -4.034 -12.220 -5.887 1.00 1.45 H new ATOM 0 HE2 MET A 186 -5.072 -12.017 -4.456 1.00 1.45 H new ATOM 0 HE3 MET A 186 -4.012 -10.687 -4.983 1.00 1.45 H new ATOM 598 N MET A 187 -1.005 -11.081 1.848 1.00 0.30 N ATOM 599 CA MET A 187 -0.229 -11.469 3.022 1.00 0.37 C ATOM 600 C MET A 187 -1.089 -11.357 4.270 1.00 0.40 C ATOM 601 O MET A 187 -0.792 -11.956 5.302 1.00 0.53 O ATOM 602 CB MET A 187 1.023 -10.604 3.180 1.00 0.44 C ATOM 603 CG MET A 187 2.132 -10.926 2.194 1.00 0.49 C ATOM 604 SD MET A 187 2.765 -12.605 2.372 1.00 0.72 S ATOM 605 CE MET A 187 4.171 -12.551 1.262 1.00 0.85 C ATOM 0 H MET A 187 -0.780 -10.159 1.476 1.00 0.30 H new ATOM 0 HA MET A 187 0.090 -12.502 2.885 1.00 0.37 H new ATOM 0 HB2 MET A 187 0.744 -9.557 3.066 1.00 0.44 H new ATOM 0 HB3 MET A 187 1.407 -10.723 4.193 1.00 0.44 H new ATOM 0 HG2 MET A 187 1.759 -10.790 1.179 1.00 0.49 H new ATOM 0 HG3 MET A 187 2.950 -10.219 2.331 1.00 0.49 H new ATOM 0 HE1 MET A 187 4.671 -13.520 1.260 1.00 0.85 H new ATOM 0 HE2 MET A 187 3.830 -12.317 0.254 1.00 0.85 H new ATOM 0 HE3 MET A 187 4.869 -11.783 1.596 1.00 0.85 H new ATOM 615 N ARG A 188 -2.152 -10.576 4.165 1.00 0.35 N ATOM 616 CA ARG A 188 -3.103 -10.430 5.251 1.00 0.41 C ATOM 617 C ARG A 188 -4.299 -11.348 5.012 1.00 0.41 C ATOM 618 O ARG A 188 -5.140 -11.551 5.890 1.00 0.50 O ATOM 619 CB ARG A 188 -3.574 -8.982 5.353 1.00 0.47 C ATOM 620 CG ARG A 188 -4.154 -8.655 6.712 1.00 0.79 C ATOM 621 CD ARG A 188 -3.057 -8.444 7.738 1.00 0.63 C ATOM 622 NE ARG A 188 -3.524 -8.621 9.110 1.00 1.20 N ATOM 623 CZ ARG A 188 -2.724 -8.594 10.174 1.00 1.43 C ATOM 624 NH1 ARG A 188 -1.412 -8.460 10.016 1.00 1.42 N ATOM 625 NH2 ARG A 188 -3.230 -8.721 11.395 1.00 2.12 N ATOM 0 H ARG A 188 -2.377 -10.031 3.333 1.00 0.35 H new ATOM 0 HA ARG A 188 -2.616 -10.705 6.186 1.00 0.41 H new ATOM 0 HB2 ARG A 188 -2.736 -8.316 5.150 1.00 0.47 H new ATOM 0 HB3 ARG A 188 -4.325 -8.793 4.586 1.00 0.47 H new ATOM 0 HG2 ARG A 188 -4.768 -7.757 6.642 1.00 0.79 H new ATOM 0 HG3 ARG A 188 -4.808 -9.464 7.036 1.00 0.79 H new ATOM 0 HD2 ARG A 188 -2.244 -9.143 7.543 1.00 0.63 H new ATOM 0 HD3 ARG A 188 -2.648 -7.440 7.625 1.00 0.63 H new ATOM 0 HE ARG A 188 -4.521 -8.774 9.262 1.00 1.20 H new ATOM 0 HH11 ARG A 188 -1.017 -8.378 9.079 1.00 1.42 H new ATOM 0 HH12 ARG A 188 -0.800 -8.439 10.831 1.00 1.42 H new ATOM 0 HH21 ARG A 188 -4.235 -8.840 11.521 1.00 2.12 H new ATOM 0 HH22 ARG A 188 -2.613 -8.700 12.207 1.00 2.12 H new ATOM 639 N GLY A 189 -4.364 -11.889 3.806 1.00 0.37 N ATOM 640 CA GLY A 189 -5.445 -12.778 3.435 1.00 0.42 C ATOM 641 C GLY A 189 -6.544 -12.055 2.685 1.00 0.43 C ATOM 642 O GLY A 189 -7.639 -12.584 2.502 1.00 0.53 O ATOM 0 H GLY A 189 -3.678 -11.726 3.069 1.00 0.37 H new ATOM 0 HA2 GLY A 189 -5.054 -13.585 2.815 1.00 0.42 H new ATOM 0 HA3 GLY A 189 -5.860 -13.237 4.332 1.00 0.42 H new ATOM 646 N LEU A 190 -6.246 -10.842 2.247 1.00 0.37 N ATOM 647 CA LEU A 190 -7.224 -10.011 1.560 1.00 0.40 C ATOM 648 C LEU A 190 -6.932 -9.982 0.062 1.00 0.35 C ATOM 649 O LEU A 190 -5.945 -10.556 -0.399 1.00 0.37 O ATOM 650 CB LEU A 190 -7.187 -8.580 2.114 1.00 0.45 C ATOM 651 CG LEU A 190 -7.154 -8.452 3.642 1.00 0.61 C ATOM 652 CD1 LEU A 190 -7.342 -7.003 4.066 1.00 1.05 C ATOM 653 CD2 LEU A 190 -8.206 -9.337 4.283 1.00 1.28 C ATOM 0 H LEU A 190 -5.329 -10.408 2.356 1.00 0.37 H new ATOM 0 HA LEU A 190 -8.214 -10.436 1.726 1.00 0.40 H new ATOM 0 HB2 LEU A 190 -6.309 -8.077 1.708 1.00 0.45 H new ATOM 0 HB3 LEU A 190 -8.061 -8.045 1.743 1.00 0.45 H new ATOM 0 HG LEU A 190 -6.175 -8.785 3.986 1.00 0.61 H new ATOM 0 HD11 LEU A 190 -7.315 -6.936 5.154 1.00 1.05 H new ATOM 0 HD12 LEU A 190 -6.542 -6.394 3.645 1.00 1.05 H new ATOM 0 HD13 LEU A 190 -8.304 -6.640 3.704 1.00 1.05 H new ATOM 0 HD21 LEU A 190 -8.162 -9.228 5.367 1.00 1.28 H new ATOM 0 HD22 LEU A 190 -9.194 -9.043 3.929 1.00 1.28 H new ATOM 0 HD23 LEU A 190 -8.019 -10.377 4.015 1.00 1.28 H new ATOM 665 N ILE A 191 -7.803 -9.328 -0.694 1.00 0.37 N ATOM 666 CA ILE A 191 -7.593 -9.126 -2.116 1.00 0.35 C ATOM 667 C ILE A 191 -7.688 -7.645 -2.470 1.00 0.36 C ATOM 668 O ILE A 191 -8.472 -6.900 -1.881 1.00 0.39 O ATOM 669 CB ILE A 191 -8.613 -9.913 -2.961 1.00 0.39 C ATOM 670 CG1 ILE A 191 -10.041 -9.502 -2.593 1.00 0.45 C ATOM 671 CG2 ILE A 191 -8.405 -11.404 -2.752 1.00 0.41 C ATOM 672 CD1 ILE A 191 -11.095 -10.059 -3.513 1.00 0.52 C ATOM 0 H ILE A 191 -8.670 -8.925 -0.339 1.00 0.37 H new ATOM 0 HA ILE A 191 -6.593 -9.495 -2.345 1.00 0.35 H new ATOM 0 HB ILE A 191 -8.461 -9.683 -4.016 1.00 0.39 H new ATOM 0 HG12 ILE A 191 -10.252 -9.830 -1.575 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -10.108 -8.414 -2.597 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -9.127 -11.960 -3.350 1.00 0.41 H new ATOM 0 HG22 ILE A 191 -7.395 -11.677 -3.057 1.00 0.41 H new ATOM 0 HG23 ILE A 191 -8.544 -11.647 -1.698 1.00 0.41 H new ATOM 0 HD11 ILE A 191 -12.079 -9.722 -3.185 1.00 0.52 H new ATOM 0 HD12 ILE A 191 -10.912 -9.710 -4.529 1.00 0.52 H new ATOM 0 HD13 ILE A 191 -11.058 -11.148 -3.491 1.00 0.52 H new ATOM 684 N PRO A 192 -6.880 -7.205 -3.443 1.00 0.39 N ATOM 685 CA PRO A 192 -6.826 -5.802 -3.871 1.00 0.43 C ATOM 686 C PRO A 192 -8.015 -5.404 -4.739 1.00 0.41 C ATOM 687 O PRO A 192 -8.163 -4.241 -5.110 1.00 0.46 O ATOM 688 CB PRO A 192 -5.537 -5.745 -4.685 1.00 0.52 C ATOM 689 CG PRO A 192 -5.407 -7.113 -5.254 1.00 0.48 C ATOM 690 CD PRO A 192 -5.931 -8.046 -4.198 1.00 0.43 C ATOM 0 HA PRO A 192 -6.856 -5.116 -3.025 1.00 0.43 H new ATOM 0 HB2 PRO A 192 -5.594 -4.991 -5.470 1.00 0.52 H new ATOM 0 HB3 PRO A 192 -4.681 -5.490 -4.060 1.00 0.52 H new ATOM 0 HG2 PRO A 192 -5.977 -7.208 -6.178 1.00 0.48 H new ATOM 0 HG3 PRO A 192 -4.368 -7.339 -5.496 1.00 0.48 H new ATOM 0 HD2 PRO A 192 -6.423 -8.914 -4.636 1.00 0.43 H new ATOM 0 HD3 PRO A 192 -5.131 -8.422 -3.560 1.00 0.43 H new ATOM 698 N GLU A 193 -8.853 -6.377 -5.064 1.00 0.39 N ATOM 699 CA GLU A 193 -10.007 -6.140 -5.916 1.00 0.43 C ATOM 700 C GLU A 193 -11.023 -5.250 -5.207 1.00 0.36 C ATOM 701 O GLU A 193 -11.533 -4.292 -5.783 1.00 0.45 O ATOM 702 CB GLU A 193 -10.645 -7.470 -6.315 1.00 0.57 C ATOM 703 CG GLU A 193 -9.648 -8.449 -6.912 1.00 0.99 C ATOM 704 CD GLU A 193 -10.283 -9.741 -7.377 1.00 1.20 C ATOM 705 OE1 GLU A 193 -10.350 -10.698 -6.577 1.00 1.73 O ATOM 706 OE2 GLU A 193 -10.708 -9.812 -8.548 1.00 1.74 O ATOM 0 H GLU A 193 -8.754 -7.342 -4.749 1.00 0.39 H new ATOM 0 HA GLU A 193 -9.676 -5.626 -6.818 1.00 0.43 H new ATOM 0 HB2 GLU A 193 -11.110 -7.922 -5.438 1.00 0.57 H new ATOM 0 HB3 GLU A 193 -11.440 -7.284 -7.037 1.00 0.57 H new ATOM 0 HG2 GLU A 193 -9.145 -7.976 -7.755 1.00 0.99 H new ATOM 0 HG3 GLU A 193 -8.882 -8.675 -6.170 1.00 0.99 H new ATOM 713 N CYS A 194 -11.291 -5.557 -3.945 1.00 0.33 N ATOM 714 CA CYS A 194 -12.238 -4.778 -3.159 1.00 0.36 C ATOM 715 C CYS A 194 -11.490 -3.779 -2.274 1.00 0.33 C ATOM 716 O CYS A 194 -11.954 -3.408 -1.200 1.00 0.49 O ATOM 717 CB CYS A 194 -13.113 -5.713 -2.312 1.00 0.48 C ATOM 718 SG CYS A 194 -14.601 -4.940 -1.626 1.00 1.69 S ATOM 0 H CYS A 194 -10.867 -6.338 -3.445 1.00 0.33 H new ATOM 0 HA CYS A 194 -12.887 -4.218 -3.832 1.00 0.36 H new ATOM 0 HB2 CYS A 194 -13.411 -6.564 -2.925 1.00 0.48 H new ATOM 0 HB3 CYS A 194 -12.513 -6.106 -1.491 1.00 0.48 H new ATOM 0 HG CYS A 194 -15.265 -5.816 -0.933 1.00 1.69 H new ATOM 724 N CYS A 195 -10.331 -3.335 -2.740 1.00 0.27 N ATOM 725 CA CYS A 195 -9.513 -2.392 -1.990 1.00 0.25 C ATOM 726 C CYS A 195 -8.998 -1.287 -2.914 1.00 0.23 C ATOM 727 O CYS A 195 -8.823 -1.508 -4.111 1.00 0.29 O ATOM 728 CB CYS A 195 -8.336 -3.123 -1.318 1.00 0.28 C ATOM 729 SG CYS A 195 -8.836 -4.349 -0.088 1.00 0.52 S ATOM 0 H CYS A 195 -9.935 -3.614 -3.638 1.00 0.27 H new ATOM 0 HA CYS A 195 -10.127 -1.937 -1.213 1.00 0.25 H new ATOM 0 HB2 CYS A 195 -7.742 -3.617 -2.087 1.00 0.28 H new ATOM 0 HB3 CYS A 195 -7.690 -2.387 -0.840 1.00 0.28 H new ATOM 0 HG CYS A 195 -8.770 -5.538 -0.609 1.00 0.52 H new ATOM 735 N ALA A 196 -8.781 -0.098 -2.361 1.00 0.26 N ATOM 736 CA ALA A 196 -8.219 1.024 -3.108 1.00 0.26 C ATOM 737 C ALA A 196 -7.127 1.647 -2.278 1.00 0.25 C ATOM 738 O ALA A 196 -7.230 1.671 -1.067 1.00 0.39 O ATOM 739 CB ALA A 196 -9.273 2.067 -3.430 1.00 0.37 C ATOM 0 H ALA A 196 -8.989 0.116 -1.385 1.00 0.26 H new ATOM 0 HA ALA A 196 -7.824 0.654 -4.054 1.00 0.26 H new ATOM 0 HB1 ALA A 196 -8.817 2.886 -3.986 1.00 0.37 H new ATOM 0 HB2 ALA A 196 -10.061 1.614 -4.032 1.00 0.37 H new ATOM 0 HB3 ALA A 196 -9.700 2.451 -2.503 1.00 0.37 H new ATOM 745 N VAL A 197 -6.109 2.183 -2.901 1.00 0.23 N ATOM 746 CA VAL A 197 -4.943 2.609 -2.144 1.00 0.23 C ATOM 747 C VAL A 197 -4.951 4.108 -1.891 1.00 0.24 C ATOM 748 O VAL A 197 -5.237 4.911 -2.777 1.00 0.36 O ATOM 749 CB VAL A 197 -3.639 2.200 -2.839 1.00 0.29 C ATOM 750 CG1 VAL A 197 -2.414 2.698 -2.083 1.00 0.94 C ATOM 751 CG2 VAL A 197 -3.616 0.701 -2.960 1.00 1.06 C ATOM 0 H VAL A 197 -6.055 2.336 -3.908 1.00 0.23 H new ATOM 0 HA VAL A 197 -4.995 2.101 -1.181 1.00 0.23 H new ATOM 0 HB VAL A 197 -3.604 2.658 -3.827 1.00 0.29 H new ATOM 0 HG11 VAL A 197 -1.511 2.387 -2.608 1.00 0.94 H new ATOM 0 HG12 VAL A 197 -2.442 3.786 -2.022 1.00 0.94 H new ATOM 0 HG13 VAL A 197 -2.411 2.278 -1.077 1.00 0.94 H new ATOM 0 HG21 VAL A 197 -2.695 0.390 -3.453 1.00 1.06 H new ATOM 0 HG22 VAL A 197 -3.665 0.255 -1.967 1.00 1.06 H new ATOM 0 HG23 VAL A 197 -4.472 0.370 -3.549 1.00 1.06 H new ATOM 761 N TYR A 198 -4.632 4.458 -0.661 1.00 0.29 N ATOM 762 CA TYR A 198 -4.671 5.832 -0.198 1.00 0.37 C ATOM 763 C TYR A 198 -3.423 6.172 0.603 1.00 0.45 C ATOM 764 O TYR A 198 -2.639 5.297 0.977 1.00 0.88 O ATOM 765 CB TYR A 198 -5.881 6.055 0.713 1.00 0.93 C ATOM 766 CG TYR A 198 -7.188 6.266 0.006 1.00 0.33 C ATOM 767 CD1 TYR A 198 -7.698 7.539 -0.113 1.00 0.69 C ATOM 768 CD2 TYR A 198 -7.917 5.206 -0.515 1.00 0.53 C ATOM 769 CE1 TYR A 198 -8.908 7.768 -0.732 1.00 1.46 C ATOM 770 CE2 TYR A 198 -9.129 5.421 -1.142 1.00 1.18 C ATOM 771 CZ TYR A 198 -9.621 6.706 -1.248 1.00 1.70 C ATOM 772 OH TYR A 198 -10.830 6.928 -1.864 1.00 2.49 O ATOM 0 H TYR A 198 -4.336 3.791 0.052 1.00 0.29 H new ATOM 0 HA TYR A 198 -4.734 6.468 -1.081 1.00 0.37 H new ATOM 0 HB2 TYR A 198 -5.980 5.195 1.375 1.00 0.93 H new ATOM 0 HB3 TYR A 198 -5.685 6.922 1.344 1.00 0.93 H new ATOM 0 HD1 TYR A 198 -7.140 8.373 0.286 1.00 0.69 H new ATOM 0 HD2 TYR A 198 -7.532 4.201 -0.429 1.00 0.53 H new ATOM 0 HE1 TYR A 198 -9.295 8.773 -0.813 1.00 1.46 H new ATOM 0 HE2 TYR A 198 -9.687 4.590 -1.546 1.00 1.18 H new ATOM 0 HH TYR A 198 -11.201 6.075 -2.172 1.00 2.49 H new ATOM 934 N ILE A 208 -4.188 7.128 -4.126 1.00 0.36 N ATOM 935 CA ILE A 208 -3.024 6.883 -4.966 1.00 0.36 C ATOM 936 C ILE A 208 -3.426 6.105 -6.207 1.00 0.32 C ATOM 937 O ILE A 208 -4.502 5.500 -6.260 1.00 0.44 O ATOM 938 CB ILE A 208 -1.941 6.072 -4.215 1.00 0.42 C ATOM 939 CG1 ILE A 208 -1.877 6.492 -2.748 1.00 0.56 C ATOM 940 CG2 ILE A 208 -0.575 6.244 -4.876 1.00 0.52 C ATOM 941 CD1 ILE A 208 -1.659 7.975 -2.533 1.00 0.90 C ATOM 0 HA ILE A 208 -2.616 7.856 -5.241 1.00 0.36 H new ATOM 0 HB ILE A 208 -2.214 5.018 -4.264 1.00 0.42 H new ATOM 0 HG12 ILE A 208 -2.805 6.198 -2.257 1.00 0.56 H new ATOM 0 HG13 ILE A 208 -1.071 5.944 -2.260 1.00 0.56 H new ATOM 0 HG21 ILE A 208 0.169 5.664 -4.330 1.00 0.52 H new ATOM 0 HG22 ILE A 208 -0.623 5.893 -5.907 1.00 0.52 H new ATOM 0 HG23 ILE A 208 -0.295 7.297 -4.864 1.00 0.52 H new ATOM 0 HD11 ILE A 208 -1.626 8.187 -1.464 1.00 0.90 H new ATOM 0 HD12 ILE A 208 -0.716 8.274 -2.991 1.00 0.90 H new ATOM 0 HD13 ILE A 208 -2.477 8.533 -2.988 1.00 0.90 H new ATOM 953 N GLY A 209 -2.559 6.131 -7.199 1.00 0.34 N ATOM 954 CA GLY A 209 -2.766 5.350 -8.391 1.00 0.37 C ATOM 955 C GLY A 209 -2.132 3.984 -8.272 1.00 0.31 C ATOM 956 O GLY A 209 -0.974 3.861 -7.876 1.00 0.33 O ATOM 0 H GLY A 209 -1.704 6.687 -7.198 1.00 0.34 H new ATOM 0 HA2 GLY A 209 -3.835 5.242 -8.576 1.00 0.37 H new ATOM 0 HA3 GLY A 209 -2.346 5.874 -9.249 1.00 0.37 H new ATOM 960 N TRP A 210 -2.888 2.956 -8.615 1.00 0.29 N ATOM 961 CA TRP A 210 -2.407 1.582 -8.536 1.00 0.27 C ATOM 962 C TRP A 210 -1.300 1.324 -9.555 1.00 0.27 C ATOM 963 O TRP A 210 -0.532 0.368 -9.428 1.00 0.30 O ATOM 964 CB TRP A 210 -3.569 0.617 -8.767 1.00 0.31 C ATOM 965 CG TRP A 210 -4.517 0.527 -7.608 1.00 0.28 C ATOM 966 CD1 TRP A 210 -5.459 1.440 -7.227 1.00 0.31 C ATOM 967 CD2 TRP A 210 -4.613 -0.553 -6.682 1.00 0.26 C ATOM 968 NE1 TRP A 210 -6.131 0.989 -6.114 1.00 0.30 N ATOM 969 CE2 TRP A 210 -5.626 -0.237 -5.762 1.00 0.26 C ATOM 970 CE3 TRP A 210 -3.933 -1.759 -6.546 1.00 0.29 C ATOM 971 CZ2 TRP A 210 -5.971 -1.093 -4.719 1.00 0.26 C ATOM 972 CZ3 TRP A 210 -4.276 -2.607 -5.513 1.00 0.31 C ATOM 973 CH2 TRP A 210 -5.289 -2.270 -4.610 1.00 0.29 C ATOM 0 H TRP A 210 -3.846 3.045 -8.954 1.00 0.29 H new ATOM 0 HA TRP A 210 -1.991 1.420 -7.542 1.00 0.27 H new ATOM 0 HB2 TRP A 210 -4.121 0.932 -9.653 1.00 0.31 H new ATOM 0 HB3 TRP A 210 -3.170 -0.375 -8.976 1.00 0.31 H new ATOM 0 HD1 TRP A 210 -5.649 2.379 -7.726 1.00 0.31 H new ATOM 0 HE1 TRP A 210 -6.880 1.484 -5.631 1.00 0.30 H new ATOM 0 HE3 TRP A 210 -3.149 -2.027 -7.238 1.00 0.29 H new ATOM 0 HZ2 TRP A 210 -6.752 -0.834 -4.020 1.00 0.26 H new ATOM 0 HZ3 TRP A 210 -3.754 -3.546 -5.400 1.00 0.31 H new ATOM 0 HH2 TRP A 210 -5.536 -2.954 -3.811 1.00 0.29 H new ATOM 984 N ASP A 211 -1.210 2.194 -10.551 1.00 0.27 N ATOM 985 CA ASP A 211 -0.235 2.035 -11.624 1.00 0.29 C ATOM 986 C ASP A 211 0.977 2.929 -11.367 1.00 0.25 C ATOM 987 O ASP A 211 1.879 3.049 -12.198 1.00 0.32 O ATOM 988 CB ASP A 211 -0.884 2.366 -12.970 1.00 0.39 C ATOM 989 CG ASP A 211 -0.128 1.785 -14.144 1.00 1.49 C ATOM 990 OD1 ASP A 211 -0.219 0.560 -14.364 1.00 2.30 O ATOM 991 OD2 ASP A 211 0.538 2.553 -14.872 1.00 2.30 O ATOM 0 H ASP A 211 -1.802 3.020 -10.640 1.00 0.27 H new ATOM 0 HA ASP A 211 0.105 1.000 -11.652 1.00 0.29 H new ATOM 0 HB2 ASP A 211 -1.906 1.987 -12.978 1.00 0.39 H new ATOM 0 HB3 ASP A 211 -0.945 3.448 -13.083 1.00 0.39 H new ATOM 996 N THR A 212 0.986 3.556 -10.200 1.00 0.23 N ATOM 997 CA THR A 212 2.116 4.347 -9.757 1.00 0.23 C ATOM 998 C THR A 212 3.260 3.425 -9.329 1.00 0.21 C ATOM 999 O THR A 212 3.023 2.341 -8.801 1.00 0.26 O ATOM 1000 CB THR A 212 1.692 5.271 -8.588 1.00 0.25 C ATOM 1001 OG1 THR A 212 0.686 6.185 -9.044 1.00 0.30 O ATOM 1002 CG2 THR A 212 2.872 6.051 -8.024 1.00 0.31 C ATOM 0 H THR A 212 0.211 3.529 -9.538 1.00 0.23 H new ATOM 0 HA THR A 212 2.462 4.971 -10.581 1.00 0.23 H new ATOM 0 HB THR A 212 1.298 4.642 -7.790 1.00 0.25 H new ATOM 0 HG1 THR A 212 0.416 6.769 -8.305 1.00 0.30 H new ATOM 0 HG21 THR A 212 2.531 6.686 -7.207 1.00 0.31 H new ATOM 0 HG22 THR A 212 3.624 5.355 -7.653 1.00 0.31 H new ATOM 0 HG23 THR A 212 3.307 6.671 -8.808 1.00 0.31 H new ATOM 1010 N ASP A 213 4.491 3.831 -9.603 1.00 0.23 N ATOM 1011 CA ASP A 213 5.660 3.056 -9.193 1.00 0.25 C ATOM 1012 C ASP A 213 5.835 3.122 -7.682 1.00 0.23 C ATOM 1013 O ASP A 213 6.104 4.186 -7.122 1.00 0.29 O ATOM 1014 CB ASP A 213 6.929 3.565 -9.882 1.00 0.32 C ATOM 1015 CG ASP A 213 7.045 3.125 -11.327 1.00 0.93 C ATOM 1016 OD1 ASP A 213 6.201 3.531 -12.156 1.00 1.73 O ATOM 1017 OD2 ASP A 213 7.998 2.385 -11.650 1.00 1.66 O ATOM 0 H ASP A 213 4.709 4.691 -10.107 1.00 0.23 H new ATOM 0 HA ASP A 213 5.496 2.021 -9.492 1.00 0.25 H new ATOM 0 HB2 ASP A 213 6.945 4.654 -9.839 1.00 0.32 H new ATOM 0 HB3 ASP A 213 7.800 3.211 -9.331 1.00 0.32 H new ATOM 1022 N ILE A 214 5.691 1.974 -7.034 1.00 0.23 N ATOM 1023 CA ILE A 214 5.767 1.886 -5.576 1.00 0.21 C ATOM 1024 C ILE A 214 7.157 2.249 -5.057 1.00 0.19 C ATOM 1025 O ILE A 214 7.303 2.784 -3.961 1.00 0.21 O ATOM 1026 CB ILE A 214 5.403 0.471 -5.075 1.00 0.22 C ATOM 1027 CG1 ILE A 214 5.701 0.356 -3.583 1.00 0.24 C ATOM 1028 CG2 ILE A 214 6.135 -0.606 -5.872 1.00 0.26 C ATOM 1029 CD1 ILE A 214 5.521 -1.028 -3.037 1.00 0.29 C ATOM 0 H ILE A 214 5.519 1.082 -7.497 1.00 0.23 H new ATOM 0 HA ILE A 214 5.044 2.604 -5.189 1.00 0.21 H new ATOM 0 HB ILE A 214 4.336 0.312 -5.229 1.00 0.22 H new ATOM 0 HG12 ILE A 214 6.726 0.678 -3.400 1.00 0.24 H new ATOM 0 HG13 ILE A 214 5.050 1.039 -3.038 1.00 0.24 H new ATOM 0 HG21 ILE A 214 5.857 -1.590 -5.495 1.00 0.26 H new ATOM 0 HG22 ILE A 214 5.860 -0.530 -6.924 1.00 0.26 H new ATOM 0 HG23 ILE A 214 7.211 -0.468 -5.767 1.00 0.26 H new ATOM 0 HD11 ILE A 214 5.751 -1.032 -1.971 1.00 0.29 H new ATOM 0 HD12 ILE A 214 4.490 -1.347 -3.187 1.00 0.29 H new ATOM 0 HD13 ILE A 214 6.192 -1.714 -3.555 1.00 0.29 H new ATOM 1041 N SER A 215 8.166 1.975 -5.859 1.00 0.21 N ATOM 1042 CA SER A 215 9.552 2.205 -5.477 1.00 0.23 C ATOM 1043 C SER A 215 9.855 3.706 -5.309 1.00 0.25 C ATOM 1044 O SER A 215 10.952 4.082 -4.896 1.00 0.31 O ATOM 1045 CB SER A 215 10.463 1.548 -6.519 1.00 0.31 C ATOM 1046 OG SER A 215 11.829 1.861 -6.307 1.00 1.07 O ATOM 0 H SER A 215 8.052 1.586 -6.795 1.00 0.21 H new ATOM 0 HA SER A 215 9.740 1.752 -4.503 1.00 0.23 H new ATOM 0 HB2 SER A 215 10.330 0.467 -6.486 1.00 0.31 H new ATOM 0 HB3 SER A 215 10.167 1.875 -7.516 1.00 0.31 H new ATOM 0 HG SER A 215 11.899 2.710 -5.823 1.00 1.07 H new ATOM 1052 N TRP A 216 8.898 4.565 -5.652 1.00 0.25 N ATOM 1053 CA TRP A 216 9.036 5.996 -5.390 1.00 0.33 C ATOM 1054 C TRP A 216 8.451 6.354 -4.025 1.00 0.33 C ATOM 1055 O TRP A 216 8.674 7.448 -3.509 1.00 0.45 O ATOM 1056 CB TRP A 216 8.344 6.821 -6.476 1.00 0.40 C ATOM 1057 CG TRP A 216 8.970 6.685 -7.827 1.00 1.13 C ATOM 1058 CD1 TRP A 216 10.288 6.476 -8.102 1.00 1.75 C ATOM 1059 CD2 TRP A 216 8.304 6.774 -9.091 1.00 1.92 C ATOM 1060 NE1 TRP A 216 10.482 6.418 -9.460 1.00 2.60 N ATOM 1061 CE2 TRP A 216 9.280 6.598 -10.089 1.00 2.73 C ATOM 1062 CE3 TRP A 216 6.976 6.980 -9.476 1.00 2.29 C ATOM 1063 CZ2 TRP A 216 8.970 6.624 -11.445 1.00 3.66 C ATOM 1064 CZ3 TRP A 216 6.670 7.004 -10.822 1.00 3.27 C ATOM 1065 CH2 TRP A 216 7.663 6.826 -11.793 1.00 3.87 C ATOM 0 H TRP A 216 8.025 4.299 -6.108 1.00 0.25 H new ATOM 0 HA TRP A 216 10.100 6.231 -5.395 1.00 0.33 H new ATOM 0 HB2 TRP A 216 7.299 6.519 -6.538 1.00 0.40 H new ATOM 0 HB3 TRP A 216 8.356 7.871 -6.184 1.00 0.40 H new ATOM 0 HD1 TRP A 216 11.066 6.371 -7.360 1.00 1.75 H new ATOM 0 HE1 TRP A 216 11.377 6.265 -9.925 1.00 2.60 H new ATOM 0 HE3 TRP A 216 6.203 7.118 -8.734 1.00 2.29 H new ATOM 0 HZ2 TRP A 216 9.734 6.489 -12.196 1.00 3.66 H new ATOM 0 HZ3 TRP A 216 5.647 7.163 -11.131 1.00 3.27 H new ATOM 0 HH2 TRP A 216 7.391 6.849 -12.838 1.00 3.87 H new ATOM 1076 N LEU A 217 7.717 5.412 -3.444 1.00 0.25 N ATOM 1077 CA LEU A 217 7.006 5.630 -2.186 1.00 0.26 C ATOM 1078 C LEU A 217 7.767 4.994 -1.029 1.00 0.24 C ATOM 1079 O LEU A 217 7.258 4.884 0.084 1.00 0.25 O ATOM 1080 CB LEU A 217 5.599 5.031 -2.287 1.00 0.26 C ATOM 1081 CG LEU A 217 4.841 5.378 -3.576 1.00 0.47 C ATOM 1082 CD1 LEU A 217 3.502 4.663 -3.630 1.00 1.21 C ATOM 1083 CD2 LEU A 217 4.647 6.880 -3.696 1.00 0.92 C ATOM 0 H LEU A 217 7.597 4.476 -3.830 1.00 0.25 H new ATOM 0 HA LEU A 217 6.930 6.701 -1.999 1.00 0.26 H new ATOM 0 HB2 LEU A 217 5.675 3.947 -2.208 1.00 0.26 H new ATOM 0 HB3 LEU A 217 5.012 5.373 -1.434 1.00 0.26 H new ATOM 0 HG LEU A 217 5.441 5.038 -4.420 1.00 0.47 H new ATOM 0 HD11 LEU A 217 2.986 4.926 -4.553 1.00 1.21 H new ATOM 0 HD12 LEU A 217 3.663 3.585 -3.599 1.00 1.21 H new ATOM 0 HD13 LEU A 217 2.894 4.963 -2.776 1.00 1.21 H new ATOM 0 HD21 LEU A 217 4.108 7.105 -4.616 1.00 0.92 H new ATOM 0 HD22 LEU A 217 4.074 7.242 -2.842 1.00 0.92 H new ATOM 0 HD23 LEU A 217 5.619 7.372 -3.716 1.00 0.92 H new ATOM 1095 N THR A 218 8.982 4.558 -1.326 1.00 0.25 N ATOM 1096 CA THR A 218 9.875 3.951 -0.352 1.00 0.26 C ATOM 1097 C THR A 218 9.961 4.725 0.961 1.00 0.28 C ATOM 1098 O THR A 218 10.026 5.955 0.967 1.00 0.32 O ATOM 1099 CB THR A 218 11.288 3.866 -0.916 1.00 0.31 C ATOM 1100 OG1 THR A 218 11.239 3.454 -2.285 1.00 0.32 O ATOM 1101 CG2 THR A 218 12.090 2.881 -0.106 1.00 0.39 C ATOM 0 H THR A 218 9.380 4.617 -2.263 1.00 0.25 H new ATOM 0 HA THR A 218 9.456 2.966 -0.148 1.00 0.26 H new ATOM 0 HB THR A 218 11.763 4.846 -0.862 1.00 0.31 H new ATOM 0 HG1 THR A 218 11.231 4.244 -2.864 1.00 0.32 H new ATOM 0 HG21 THR A 218 13.101 2.818 -0.507 1.00 0.39 H new ATOM 0 HG22 THR A 218 12.131 3.212 0.932 1.00 0.39 H new ATOM 0 HG23 THR A 218 11.618 1.900 -0.156 1.00 0.39 H new ATOM 1109 N GLY A 219 9.979 3.987 2.067 1.00 0.30 N ATOM 1110 CA GLY A 219 10.167 4.589 3.370 1.00 0.37 C ATOM 1111 C GLY A 219 8.906 5.237 3.891 1.00 0.38 C ATOM 1112 O GLY A 219 8.784 5.516 5.086 1.00 0.53 O ATOM 0 H GLY A 219 9.865 2.973 2.080 1.00 0.30 H new ATOM 0 HA2 GLY A 219 10.499 3.827 4.075 1.00 0.37 H new ATOM 0 HA3 GLY A 219 10.959 5.336 3.312 1.00 0.37 H new ATOM 1116 N GLU A 220 7.967 5.457 2.992 1.00 0.29 N ATOM 1117 CA GLU A 220 6.718 6.115 3.326 1.00 0.29 C ATOM 1118 C GLU A 220 5.665 5.070 3.665 1.00 0.28 C ATOM 1119 O GLU A 220 5.880 3.874 3.454 1.00 0.40 O ATOM 1120 CB GLU A 220 6.270 7.000 2.158 1.00 0.36 C ATOM 1121 CG GLU A 220 7.275 8.091 1.825 1.00 1.26 C ATOM 1122 CD GLU A 220 6.880 8.915 0.619 1.00 1.53 C ATOM 1123 OE1 GLU A 220 7.047 8.435 -0.517 1.00 2.02 O ATOM 1124 OE2 GLU A 220 6.414 10.062 0.802 1.00 2.16 O ATOM 0 H GLU A 220 8.047 5.186 2.012 1.00 0.29 H new ATOM 0 HA GLU A 220 6.858 6.753 4.199 1.00 0.29 H new ATOM 0 HB2 GLU A 220 6.111 6.378 1.277 1.00 0.36 H new ATOM 0 HB3 GLU A 220 5.311 7.458 2.402 1.00 0.36 H new ATOM 0 HG2 GLU A 220 7.386 8.749 2.687 1.00 1.26 H new ATOM 0 HG3 GLU A 220 8.249 7.636 1.644 1.00 1.26 H new ATOM 1131 N GLU A 221 4.543 5.505 4.211 1.00 0.30 N ATOM 1132 CA GLU A 221 3.500 4.572 4.594 1.00 0.30 C ATOM 1133 C GLU A 221 2.223 4.816 3.820 1.00 0.31 C ATOM 1134 O GLU A 221 1.657 5.913 3.818 1.00 0.38 O ATOM 1135 CB GLU A 221 3.222 4.622 6.094 1.00 0.38 C ATOM 1136 CG GLU A 221 4.415 4.225 6.948 1.00 0.46 C ATOM 1137 CD GLU A 221 4.023 3.842 8.358 1.00 1.26 C ATOM 1138 OE1 GLU A 221 4.040 2.636 8.664 1.00 2.01 O ATOM 1139 OE2 GLU A 221 3.723 4.741 9.169 1.00 2.03 O ATOM 0 H GLU A 221 4.333 6.486 4.397 1.00 0.30 H new ATOM 0 HA GLU A 221 3.866 3.575 4.347 1.00 0.30 H new ATOM 0 HB2 GLU A 221 2.912 5.632 6.364 1.00 0.38 H new ATOM 0 HB3 GLU A 221 2.386 3.961 6.322 1.00 0.38 H new ATOM 0 HG2 GLU A 221 4.930 3.387 6.478 1.00 0.46 H new ATOM 0 HG3 GLU A 221 5.122 5.054 6.984 1.00 0.46 H new ATOM 1146 N LEU A 222 1.784 3.767 3.171 1.00 0.26 N ATOM 1147 CA LEU A 222 0.562 3.765 2.414 1.00 0.27 C ATOM 1148 C LEU A 222 -0.550 3.201 3.275 1.00 0.25 C ATOM 1149 O LEU A 222 -0.286 2.537 4.270 1.00 0.32 O ATOM 1150 CB LEU A 222 0.749 2.901 1.170 1.00 0.29 C ATOM 1151 CG LEU A 222 1.830 3.375 0.201 1.00 0.54 C ATOM 1152 CD1 LEU A 222 1.880 2.482 -1.027 1.00 1.19 C ATOM 1153 CD2 LEU A 222 1.589 4.819 -0.193 1.00 1.19 C ATOM 0 H LEU A 222 2.277 2.874 3.155 1.00 0.26 H new ATOM 0 HA LEU A 222 0.303 4.780 2.111 1.00 0.27 H new ATOM 0 HB2 LEU A 222 0.988 1.885 1.486 1.00 0.29 H new ATOM 0 HB3 LEU A 222 -0.200 2.854 0.635 1.00 0.29 H new ATOM 0 HG LEU A 222 2.795 3.312 0.703 1.00 0.54 H new ATOM 0 HD11 LEU A 222 2.657 2.838 -1.704 1.00 1.19 H new ATOM 0 HD12 LEU A 222 2.103 1.459 -0.724 1.00 1.19 H new ATOM 0 HD13 LEU A 222 0.916 2.508 -1.535 1.00 1.19 H new ATOM 0 HD21 LEU A 222 2.368 5.142 -0.884 1.00 1.19 H new ATOM 0 HD22 LEU A 222 0.616 4.907 -0.676 1.00 1.19 H new ATOM 0 HD23 LEU A 222 1.610 5.447 0.697 1.00 1.19 H new ATOM 1165 N HIS A 223 -1.782 3.474 2.908 1.00 0.24 N ATOM 1166 CA HIS A 223 -2.920 2.960 3.638 1.00 0.26 C ATOM 1167 C HIS A 223 -4.092 2.806 2.681 1.00 0.28 C ATOM 1168 O HIS A 223 -4.586 3.783 2.138 1.00 0.46 O ATOM 1169 CB HIS A 223 -3.223 3.925 4.801 1.00 0.45 C ATOM 1170 CG HIS A 223 -4.668 4.118 5.129 1.00 0.94 C ATOM 1171 ND1 HIS A 223 -5.331 3.408 6.100 1.00 1.30 N ATOM 1172 CD2 HIS A 223 -5.564 4.987 4.618 1.00 1.85 C ATOM 1173 CE1 HIS A 223 -6.576 3.830 6.174 1.00 2.26 C ATOM 1174 NE2 HIS A 223 -6.748 4.791 5.286 1.00 2.63 N ATOM 0 H HIS A 223 -2.023 4.053 2.103 1.00 0.24 H new ATOM 0 HA HIS A 223 -2.718 1.976 4.062 1.00 0.26 H new ATOM 0 HB2 HIS A 223 -2.714 3.560 5.693 1.00 0.45 H new ATOM 0 HB3 HIS A 223 -2.791 4.897 4.563 1.00 0.45 H new ATOM 0 HD2 HIS A 223 -5.384 5.704 3.830 1.00 1.85 H new ATOM 0 HE1 HIS A 223 -7.330 3.453 6.849 1.00 2.26 H new ATOM 0 HE2 HIS A 223 -7.615 5.303 5.123 1.00 2.63 H new ATOM 1183 N VAL A 224 -4.532 1.585 2.457 1.00 0.27 N ATOM 1184 CA VAL A 224 -5.605 1.359 1.515 1.00 0.34 C ATOM 1185 C VAL A 224 -6.933 1.124 2.215 1.00 0.38 C ATOM 1186 O VAL A 224 -6.990 0.675 3.361 1.00 0.51 O ATOM 1187 CB VAL A 224 -5.315 0.226 0.518 1.00 0.55 C ATOM 1188 CG1 VAL A 224 -3.867 -0.137 0.435 1.00 0.91 C ATOM 1189 CG2 VAL A 224 -6.128 -1.008 0.753 1.00 0.97 C ATOM 0 H VAL A 224 -4.169 0.745 2.908 1.00 0.27 H new ATOM 0 HA VAL A 224 -5.676 2.279 0.935 1.00 0.34 H new ATOM 0 HB VAL A 224 -5.617 0.648 -0.441 1.00 0.55 H new ATOM 0 HG11 VAL A 224 -3.735 -0.943 -0.287 1.00 0.91 H new ATOM 0 HG12 VAL A 224 -3.292 0.733 0.118 1.00 0.91 H new ATOM 0 HG13 VAL A 224 -3.518 -0.466 1.414 1.00 0.91 H new ATOM 0 HG21 VAL A 224 -5.868 -1.762 0.010 1.00 0.97 H new ATOM 0 HG22 VAL A 224 -5.922 -1.395 1.751 1.00 0.97 H new ATOM 0 HG23 VAL A 224 -7.188 -0.767 0.669 1.00 0.97 H new ATOM 1199 N GLU A 225 -7.987 1.449 1.496 1.00 0.38 N ATOM 1200 CA GLU A 225 -9.345 1.398 1.994 1.00 0.49 C ATOM 1201 C GLU A 225 -10.097 0.315 1.243 1.00 0.39 C ATOM 1202 O GLU A 225 -9.585 -0.250 0.279 1.00 0.46 O ATOM 1203 CB GLU A 225 -10.034 2.746 1.770 1.00 0.68 C ATOM 1204 CG GLU A 225 -9.320 3.921 2.417 1.00 0.93 C ATOM 1205 CD GLU A 225 -9.440 3.947 3.928 1.00 1.32 C ATOM 1206 OE1 GLU A 225 -9.271 5.040 4.509 1.00 1.78 O ATOM 1207 OE2 GLU A 225 -9.691 2.889 4.544 1.00 1.94 O ATOM 0 H GLU A 225 -7.922 1.763 0.528 1.00 0.38 H new ATOM 0 HA GLU A 225 -9.337 1.179 3.062 1.00 0.49 H new ATOM 0 HB2 GLU A 225 -10.113 2.928 0.698 1.00 0.68 H new ATOM 0 HB3 GLU A 225 -11.050 2.692 2.160 1.00 0.68 H new ATOM 0 HG2 GLU A 225 -8.265 3.889 2.145 1.00 0.93 H new ATOM 0 HG3 GLU A 225 -9.725 4.849 2.013 1.00 0.93 H new ATOM 1214 N VAL A 226 -11.307 0.034 1.672 1.00 0.50 N ATOM 1215 CA VAL A 226 -12.114 -0.990 1.039 1.00 0.48 C ATOM 1216 C VAL A 226 -13.097 -0.381 0.051 1.00 0.52 C ATOM 1217 O VAL A 226 -13.903 0.481 0.409 1.00 0.69 O ATOM 1218 CB VAL A 226 -12.888 -1.807 2.083 1.00 0.64 C ATOM 1219 CG1 VAL A 226 -13.573 -2.998 1.438 1.00 1.12 C ATOM 1220 CG2 VAL A 226 -11.948 -2.252 3.183 1.00 1.12 C ATOM 0 H VAL A 226 -11.757 0.501 2.459 1.00 0.50 H new ATOM 0 HA VAL A 226 -11.432 -1.650 0.502 1.00 0.48 H new ATOM 0 HB VAL A 226 -13.664 -1.178 2.519 1.00 0.64 H new ATOM 0 HG11 VAL A 226 -14.115 -3.561 2.198 1.00 1.12 H new ATOM 0 HG12 VAL A 226 -14.272 -2.648 0.678 1.00 1.12 H new ATOM 0 HG13 VAL A 226 -12.825 -3.641 0.974 1.00 1.12 H new ATOM 0 HG21 VAL A 226 -12.501 -2.832 3.922 1.00 1.12 H new ATOM 0 HG22 VAL A 226 -11.156 -2.868 2.758 1.00 1.12 H new ATOM 0 HG23 VAL A 226 -11.509 -1.377 3.663 1.00 1.12 H new