USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 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=-0.0097) USER MOD Single : A 164 LYS NZ :NH3+ -132:sc= 1.25 (180deg=0.194) USER MOD Single : A 165 GLN : amide:sc= 0.157 K(o=0.16,f=-0.88) USER MOD Single : A 167 THR OG1 : rot -160:sc= 0 USER MOD Single : A 173 CYS SG : rot 35:sc= 0.0832 USER MOD Single : A 176 THR OG1 : rot -150:sc= -1.59! USER MOD Single : A 180 SER OG : rot 31:sc= 0.808 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0329) USER MOD Single : A 186 MET CE :methyl -179:sc= 0 (180deg=-0.00477) USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 CYS SG : rot 180:sc= 0 USER MOD Single : A 195 CYS SG : rot 97:sc= 0.626 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 85:sc= 0.00855 USER MOD Single : A 215 SER OG : rot -34:sc= 0.275 USER MOD Single : A 218 THR OG1 : rot 92:sc= 0.994 USER MOD Single : A 223 HIS : no HE2:sc= -0.168 K(o=-0.17,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 15.101 -0.453 1.116 1.00 0.42 N ATOM 66 CA PRO A 155 13.947 0.436 1.186 1.00 0.38 C ATOM 67 C PRO A 155 12.653 -0.336 1.392 1.00 0.33 C ATOM 68 O PRO A 155 12.510 -1.454 0.902 1.00 0.33 O ATOM 69 CB PRO A 155 13.958 1.079 -0.189 1.00 0.40 C ATOM 70 CG PRO A 155 14.409 -0.019 -1.082 1.00 0.39 C ATOM 71 CD PRO A 155 15.438 -0.784 -0.288 1.00 0.43 C ATOM 0 HA PRO A 155 14.000 1.140 2.017 1.00 0.38 H new ATOM 0 HB2 PRO A 155 12.970 1.444 -0.469 1.00 0.40 H new ATOM 0 HB3 PRO A 155 14.636 1.932 -0.228 1.00 0.40 H new ATOM 0 HG2 PRO A 155 13.576 -0.661 -1.367 1.00 0.39 H new ATOM 0 HG3 PRO A 155 14.837 0.375 -2.004 1.00 0.39 H new ATOM 0 HD2 PRO A 155 15.375 -1.856 -0.475 1.00 0.43 H new ATOM 0 HD3 PRO A 155 16.452 -0.476 -0.542 1.00 0.43 H new ATOM 79 N ILE A 156 11.712 0.254 2.108 1.00 0.33 N ATOM 80 CA ILE A 156 10.437 -0.397 2.355 1.00 0.29 C ATOM 81 C ILE A 156 9.289 0.601 2.345 1.00 0.29 C ATOM 82 O ILE A 156 9.441 1.752 2.757 1.00 0.37 O ATOM 83 CB ILE A 156 10.421 -1.162 3.700 1.00 0.31 C ATOM 84 CG1 ILE A 156 10.960 -0.280 4.832 1.00 0.38 C ATOM 85 CG2 ILE A 156 11.209 -2.464 3.594 1.00 0.37 C ATOM 86 CD1 ILE A 156 10.828 -0.903 6.207 1.00 0.79 C ATOM 0 H ILE A 156 11.806 1.179 2.527 1.00 0.33 H new ATOM 0 HA ILE A 156 10.305 -1.112 1.543 1.00 0.29 H new ATOM 0 HB ILE A 156 9.388 -1.416 3.936 1.00 0.31 H new ATOM 0 HG12 ILE A 156 12.011 -0.062 4.641 1.00 0.38 H new ATOM 0 HG13 ILE A 156 10.430 0.672 4.822 1.00 0.38 H new ATOM 0 HG21 ILE A 156 11.183 -2.984 4.552 1.00 0.37 H new ATOM 0 HG22 ILE A 156 10.765 -3.097 2.826 1.00 0.37 H new ATOM 0 HG23 ILE A 156 12.243 -2.243 3.329 1.00 0.37 H new ATOM 0 HD11 ILE A 156 11.230 -0.221 6.956 1.00 0.79 H new ATOM 0 HD12 ILE A 156 9.776 -1.096 6.420 1.00 0.79 H new ATOM 0 HD13 ILE A 156 11.382 -1.841 6.236 1.00 0.79 H new ATOM 98 N VAL A 157 8.157 0.154 1.829 1.00 0.25 N ATOM 99 CA VAL A 157 6.914 0.885 1.927 1.00 0.27 C ATOM 100 C VAL A 157 5.916 0.046 2.723 1.00 0.21 C ATOM 101 O VAL A 157 5.569 -1.071 2.331 1.00 0.25 O ATOM 102 CB VAL A 157 6.316 1.227 0.542 1.00 0.38 C ATOM 103 CG1 VAL A 157 4.978 1.932 0.709 1.00 1.05 C ATOM 104 CG2 VAL A 157 7.268 2.097 -0.276 1.00 0.91 C ATOM 0 H VAL A 157 8.078 -0.731 1.328 1.00 0.25 H new ATOM 0 HA VAL A 157 7.118 1.831 2.429 1.00 0.27 H new ATOM 0 HB VAL A 157 6.166 0.292 0.002 1.00 0.38 H new ATOM 0 HG11 VAL A 157 4.566 2.168 -0.272 1.00 1.05 H new ATOM 0 HG12 VAL A 157 4.288 1.280 1.245 1.00 1.05 H new ATOM 0 HG13 VAL A 157 5.120 2.853 1.274 1.00 1.05 H new ATOM 0 HG21 VAL A 157 6.818 2.319 -1.243 1.00 0.91 H new ATOM 0 HG22 VAL A 157 7.459 3.028 0.258 1.00 0.91 H new ATOM 0 HG23 VAL A 157 8.208 1.566 -0.427 1.00 0.91 H new ATOM 114 N ARG A 158 5.492 0.571 3.855 1.00 0.21 N ATOM 115 CA ARG A 158 4.600 -0.145 4.753 1.00 0.21 C ATOM 116 C ARG A 158 3.155 0.275 4.530 1.00 0.21 C ATOM 117 O ARG A 158 2.785 1.416 4.791 1.00 0.32 O ATOM 118 CB ARG A 158 5.001 0.111 6.202 1.00 0.26 C ATOM 119 CG ARG A 158 6.393 -0.391 6.529 1.00 0.29 C ATOM 120 CD ARG A 158 6.843 0.037 7.912 1.00 0.49 C ATOM 121 NE ARG A 158 7.006 1.484 8.033 1.00 1.36 N ATOM 122 CZ ARG A 158 7.494 2.079 9.120 1.00 1.81 C ATOM 123 NH1 ARG A 158 7.855 1.351 10.171 1.00 1.70 N ATOM 124 NH2 ARG A 158 7.624 3.397 9.158 1.00 2.87 N ATOM 0 H ARG A 158 5.753 1.502 4.180 1.00 0.21 H new ATOM 0 HA ARG A 158 4.684 -1.211 4.541 1.00 0.21 H new ATOM 0 HB2 ARG A 158 4.950 1.181 6.404 1.00 0.26 H new ATOM 0 HB3 ARG A 158 4.282 -0.373 6.863 1.00 0.26 H new ATOM 0 HG2 ARG A 158 6.410 -1.479 6.463 1.00 0.29 H new ATOM 0 HG3 ARG A 158 7.097 -0.015 5.787 1.00 0.29 H new ATOM 0 HD2 ARG A 158 6.115 -0.305 8.648 1.00 0.49 H new ATOM 0 HD3 ARG A 158 7.788 -0.451 8.149 1.00 0.49 H new ATOM 0 HE ARG A 158 6.732 2.069 7.244 1.00 1.36 H new ATOM 0 HH11 ARG A 158 7.758 0.336 10.146 1.00 1.70 H new ATOM 0 HH12 ARG A 158 8.229 1.807 11.003 1.00 1.70 H new ATOM 0 HH21 ARG A 158 7.350 3.960 8.353 1.00 2.87 H new ATOM 0 HH22 ARG A 158 7.998 3.849 9.992 1.00 2.87 H new ATOM 138 N VAL A 159 2.346 -0.651 4.044 1.00 0.20 N ATOM 139 CA VAL A 159 0.940 -0.364 3.763 1.00 0.21 C ATOM 140 C VAL A 159 0.042 -0.848 4.881 1.00 0.23 C ATOM 141 O VAL A 159 0.083 -2.012 5.254 1.00 0.36 O ATOM 142 CB VAL A 159 0.449 -1.044 2.474 1.00 0.28 C ATOM 143 CG1 VAL A 159 -0.957 -0.584 2.130 1.00 0.42 C ATOM 144 CG2 VAL A 159 1.393 -0.769 1.325 1.00 0.35 C ATOM 0 H VAL A 159 2.633 -1.607 3.835 1.00 0.20 H new ATOM 0 HA VAL A 159 0.885 0.720 3.658 1.00 0.21 H new ATOM 0 HB VAL A 159 0.428 -2.120 2.646 1.00 0.28 H new ATOM 0 HG11 VAL A 159 -1.287 -1.076 1.215 1.00 0.42 H new ATOM 0 HG12 VAL A 159 -1.634 -0.841 2.945 1.00 0.42 H new ATOM 0 HG13 VAL A 159 -0.961 0.496 1.983 1.00 0.42 H new ATOM 0 HG21 VAL A 159 1.024 -1.261 0.425 1.00 0.35 H new ATOM 0 HG22 VAL A 159 1.453 0.306 1.153 1.00 0.35 H new ATOM 0 HG23 VAL A 159 2.384 -1.153 1.568 1.00 0.35 H new ATOM 154 N PHE A 160 -0.782 0.036 5.398 1.00 0.22 N ATOM 155 CA PHE A 160 -1.800 -0.360 6.345 1.00 0.22 C ATOM 156 C PHE A 160 -2.977 -1.001 5.599 1.00 0.24 C ATOM 157 O PHE A 160 -3.802 -0.297 5.024 1.00 0.28 O ATOM 158 CB PHE A 160 -2.286 0.861 7.127 1.00 0.25 C ATOM 159 CG PHE A 160 -1.323 1.356 8.171 1.00 0.30 C ATOM 160 CD1 PHE A 160 -0.120 1.952 7.813 1.00 0.38 C ATOM 161 CD2 PHE A 160 -1.635 1.248 9.515 1.00 0.48 C ATOM 162 CE1 PHE A 160 0.746 2.426 8.778 1.00 0.46 C ATOM 163 CE2 PHE A 160 -0.770 1.716 10.483 1.00 0.58 C ATOM 164 CZ PHE A 160 0.420 2.307 10.115 1.00 0.51 C ATOM 0 H PHE A 160 -0.767 1.032 5.179 1.00 0.22 H new ATOM 0 HA PHE A 160 -1.378 -1.084 7.042 1.00 0.22 H new ATOM 0 HB2 PHE A 160 -2.488 1.670 6.425 1.00 0.25 H new ATOM 0 HB3 PHE A 160 -3.231 0.615 7.610 1.00 0.25 H new ATOM 0 HD1 PHE A 160 0.140 2.045 6.769 1.00 0.38 H new ATOM 0 HD2 PHE A 160 -2.568 0.791 9.810 1.00 0.48 H new ATOM 0 HE1 PHE A 160 1.677 2.889 8.488 1.00 0.46 H new ATOM 0 HE2 PHE A 160 -1.025 1.619 11.528 1.00 0.58 H new ATOM 0 HZ PHE A 160 1.097 2.677 10.871 1.00 0.51 H new ATOM 174 N LEU A 161 -3.042 -2.333 5.609 1.00 0.27 N ATOM 175 CA LEU A 161 -4.127 -3.079 4.947 1.00 0.33 C ATOM 176 C LEU A 161 -5.502 -2.691 5.498 1.00 0.33 C ATOM 177 O LEU A 161 -5.603 -2.001 6.512 1.00 0.37 O ATOM 178 CB LEU A 161 -3.956 -4.605 5.125 1.00 0.49 C ATOM 179 CG LEU A 161 -2.636 -5.219 4.653 1.00 0.72 C ATOM 180 CD1 LEU A 161 -2.045 -4.396 3.540 1.00 1.46 C ATOM 181 CD2 LEU A 161 -1.653 -5.350 5.801 1.00 0.98 C ATOM 0 H LEU A 161 -2.353 -2.926 6.071 1.00 0.27 H new ATOM 0 HA LEU A 161 -4.069 -2.819 3.890 1.00 0.33 H new ATOM 0 HB2 LEU A 161 -4.078 -4.838 6.183 1.00 0.49 H new ATOM 0 HB3 LEU A 161 -4.769 -5.101 4.594 1.00 0.49 H new ATOM 0 HG LEU A 161 -2.843 -6.220 4.275 1.00 0.72 H new ATOM 0 HD11 LEU A 161 -1.107 -4.845 3.214 1.00 1.46 H new ATOM 0 HD12 LEU A 161 -2.742 -4.363 2.702 1.00 1.46 H new ATOM 0 HD13 LEU A 161 -1.858 -3.383 3.896 1.00 1.46 H new ATOM 0 HD21 LEU A 161 -0.724 -5.789 5.436 1.00 0.98 H new ATOM 0 HD22 LEU A 161 -1.449 -4.364 6.219 1.00 0.98 H new ATOM 0 HD23 LEU A 161 -2.079 -5.991 6.573 1.00 0.98 H new ATOM 193 N PRO A 162 -6.584 -3.119 4.817 1.00 0.38 N ATOM 194 CA PRO A 162 -7.945 -3.051 5.359 1.00 0.43 C ATOM 195 C PRO A 162 -8.003 -3.579 6.788 1.00 0.42 C ATOM 196 O PRO A 162 -7.219 -4.456 7.162 1.00 0.40 O ATOM 197 CB PRO A 162 -8.737 -3.956 4.423 1.00 0.49 C ATOM 198 CG PRO A 162 -8.025 -3.861 3.120 1.00 0.50 C ATOM 199 CD PRO A 162 -6.567 -3.660 3.447 1.00 0.46 C ATOM 0 HA PRO A 162 -8.328 -2.032 5.407 1.00 0.43 H new ATOM 0 HB2 PRO A 162 -8.760 -4.983 4.789 1.00 0.49 H new ATOM 0 HB3 PRO A 162 -9.772 -3.626 4.334 1.00 0.49 H new ATOM 0 HG2 PRO A 162 -8.170 -4.767 2.531 1.00 0.50 H new ATOM 0 HG3 PRO A 162 -8.408 -3.031 2.527 1.00 0.50 H new ATOM 0 HD2 PRO A 162 -6.013 -4.597 3.394 1.00 0.46 H new ATOM 0 HD3 PRO A 162 -6.093 -2.969 2.750 1.00 0.46 H new ATOM 207 N ASN A 163 -8.925 -3.032 7.580 1.00 0.51 N ATOM 208 CA ASN A 163 -8.994 -3.293 9.024 1.00 0.54 C ATOM 209 C ASN A 163 -7.792 -2.654 9.707 1.00 0.48 C ATOM 210 O ASN A 163 -7.537 -2.860 10.892 1.00 0.53 O ATOM 211 CB ASN A 163 -9.047 -4.798 9.345 1.00 0.60 C ATOM 212 CG ASN A 163 -10.217 -5.509 8.691 1.00 1.26 C ATOM 213 OD1 ASN A 163 -10.107 -6.004 7.570 1.00 2.08 O ATOM 214 ND2 ASN A 163 -11.342 -5.572 9.383 1.00 1.86 N ATOM 0 H ASN A 163 -9.647 -2.395 7.242 1.00 0.51 H new ATOM 0 HA ASN A 163 -9.918 -2.855 9.400 1.00 0.54 H new ATOM 0 HB2 ASN A 163 -8.118 -5.265 9.018 1.00 0.60 H new ATOM 0 HB3 ASN A 163 -9.108 -4.930 10.425 1.00 0.60 H new ATOM 0 HD21 ASN A 163 -12.157 -6.043 8.990 1.00 1.86 H new ATOM 0 HD22 ASN A 163 -11.395 -5.150 10.310 1.00 1.86 H new ATOM 221 N LYS A 164 -7.063 -1.878 8.911 1.00 0.48 N ATOM 222 CA LYS A 164 -5.885 -1.146 9.344 1.00 0.52 C ATOM 223 C LYS A 164 -4.828 -2.068 9.949 1.00 0.44 C ATOM 224 O LYS A 164 -4.300 -1.816 11.032 1.00 0.52 O ATOM 225 CB LYS A 164 -6.267 -0.013 10.294 1.00 0.69 C ATOM 226 CG LYS A 164 -7.286 0.966 9.711 1.00 0.88 C ATOM 227 CD LYS A 164 -6.630 2.077 8.890 1.00 1.22 C ATOM 228 CE LYS A 164 -6.107 1.597 7.540 1.00 2.04 C ATOM 229 NZ LYS A 164 -7.199 1.235 6.591 1.00 2.74 N ATOM 0 H LYS A 164 -7.283 -1.740 7.925 1.00 0.48 H new ATOM 0 HA LYS A 164 -5.432 -0.697 8.460 1.00 0.52 H new ATOM 0 HB2 LYS A 164 -6.672 -0.441 11.211 1.00 0.69 H new ATOM 0 HB3 LYS A 164 -5.367 0.536 10.570 1.00 0.69 H new ATOM 0 HG2 LYS A 164 -7.989 0.421 9.081 1.00 0.88 H new ATOM 0 HG3 LYS A 164 -7.863 1.411 10.522 1.00 0.88 H new ATOM 0 HD2 LYS A 164 -7.353 2.876 8.729 1.00 1.22 H new ATOM 0 HD3 LYS A 164 -5.805 2.504 9.461 1.00 1.22 H new ATOM 0 HE2 LYS A 164 -5.491 2.379 7.096 1.00 2.04 H new ATOM 0 HE3 LYS A 164 -5.463 0.731 7.692 1.00 2.04 H new ATOM 0 HZ1 LYS A 164 -6.995 0.309 6.164 1.00 2.74 H new ATOM 0 HZ2 LYS A 164 -8.103 1.189 7.103 1.00 2.74 H new ATOM 0 HZ3 LYS A 164 -7.262 1.955 5.843 1.00 2.74 H new ATOM 243 N GLN A 165 -4.545 -3.148 9.229 1.00 0.36 N ATOM 244 CA GLN A 165 -3.381 -3.983 9.496 1.00 0.37 C ATOM 245 C GLN A 165 -2.199 -3.289 8.868 1.00 0.33 C ATOM 246 O GLN A 165 -2.363 -2.207 8.323 1.00 0.38 O ATOM 247 CB GLN A 165 -3.574 -5.349 8.845 1.00 0.42 C ATOM 248 CG GLN A 165 -4.977 -5.885 9.000 1.00 0.50 C ATOM 249 CD GLN A 165 -5.338 -6.192 10.442 1.00 0.66 C ATOM 250 OE1 GLN A 165 -5.114 -7.300 10.919 1.00 1.33 O ATOM 251 NE2 GLN A 165 -5.898 -5.222 11.145 1.00 1.33 N ATOM 0 H GLN A 165 -5.115 -3.468 8.446 1.00 0.36 H new ATOM 0 HA GLN A 165 -3.234 -4.127 10.566 1.00 0.37 H new ATOM 0 HB2 GLN A 165 -3.334 -5.277 7.784 1.00 0.42 H new ATOM 0 HB3 GLN A 165 -2.870 -6.057 9.283 1.00 0.42 H new ATOM 0 HG2 GLN A 165 -5.684 -5.158 8.601 1.00 0.50 H new ATOM 0 HG3 GLN A 165 -5.082 -6.792 8.404 1.00 0.50 H new ATOM 0 HE21 GLN A 165 -6.069 -4.313 10.714 1.00 1.33 H new ATOM 0 HE22 GLN A 165 -6.159 -5.383 12.118 1.00 1.33 H new ATOM 260 N ARG A 166 -1.023 -3.868 8.911 1.00 0.34 N ATOM 261 CA ARG A 166 0.077 -3.246 8.218 1.00 0.32 C ATOM 262 C ARG A 166 1.059 -4.266 7.678 1.00 0.41 C ATOM 263 O ARG A 166 1.479 -5.187 8.376 1.00 0.79 O ATOM 264 CB ARG A 166 0.768 -2.227 9.109 1.00 0.40 C ATOM 265 CG ARG A 166 1.623 -1.260 8.353 1.00 0.95 C ATOM 266 CD ARG A 166 2.449 -0.432 9.306 1.00 0.96 C ATOM 267 NE ARG A 166 3.226 -1.263 10.220 1.00 1.54 N ATOM 268 CZ ARG A 166 3.330 -1.039 11.529 1.00 1.82 C ATOM 269 NH1 ARG A 166 2.749 0.019 12.082 1.00 1.62 N ATOM 270 NH2 ARG A 166 4.024 -1.876 12.285 1.00 2.49 N ATOM 0 H ARG A 166 -0.807 -4.737 9.400 1.00 0.34 H new ATOM 0 HA ARG A 166 -0.334 -2.720 7.357 1.00 0.32 H new ATOM 0 HB2 ARG A 166 0.014 -1.674 9.668 1.00 0.40 H new ATOM 0 HB3 ARG A 166 1.384 -2.752 9.839 1.00 0.40 H new ATOM 0 HG2 ARG A 166 2.278 -1.801 7.670 1.00 0.95 H new ATOM 0 HG3 ARG A 166 0.996 -0.608 7.745 1.00 0.95 H new ATOM 0 HD2 ARG A 166 3.123 0.210 8.738 1.00 0.96 H new ATOM 0 HD3 ARG A 166 1.793 0.222 9.880 1.00 0.96 H new ATOM 0 HE ARG A 166 3.721 -2.066 9.832 1.00 1.54 H new ATOM 0 HH11 ARG A 166 2.217 0.669 11.504 1.00 1.62 H new ATOM 0 HH12 ARG A 166 2.835 0.182 13.085 1.00 1.62 H new ATOM 0 HH21 ARG A 166 4.476 -2.688 11.864 1.00 2.49 H new ATOM 0 HH22 ARG A 166 4.107 -1.709 13.288 1.00 2.49 H new ATOM 284 N THR A 167 1.384 -4.084 6.416 1.00 0.25 N ATOM 285 CA THR A 167 2.315 -4.922 5.699 1.00 0.27 C ATOM 286 C THR A 167 3.562 -4.115 5.380 1.00 0.25 C ATOM 287 O THR A 167 3.592 -2.902 5.595 1.00 0.31 O ATOM 288 CB THR A 167 1.697 -5.402 4.369 1.00 0.35 C ATOM 289 OG1 THR A 167 2.424 -6.518 3.844 1.00 0.50 O ATOM 290 CG2 THR A 167 1.714 -4.272 3.354 1.00 0.52 C ATOM 0 H THR A 167 0.997 -3.330 5.848 1.00 0.25 H new ATOM 0 HA THR A 167 2.557 -5.785 6.319 1.00 0.27 H new ATOM 0 HB THR A 167 0.669 -5.710 4.562 1.00 0.35 H new ATOM 0 HG1 THR A 167 2.238 -6.608 2.886 1.00 0.50 H new ATOM 0 HG21 THR A 167 1.276 -4.618 2.417 1.00 0.52 H new ATOM 0 HG22 THR A 167 1.136 -3.431 3.736 1.00 0.52 H new ATOM 0 HG23 THR A 167 2.742 -3.956 3.179 1.00 0.52 H new ATOM 298 N VAL A 168 4.575 -4.773 4.850 1.00 0.25 N ATOM 299 CA VAL A 168 5.743 -4.073 4.365 1.00 0.27 C ATOM 300 C VAL A 168 6.211 -4.694 3.066 1.00 0.25 C ATOM 301 O VAL A 168 6.392 -5.912 2.973 1.00 0.30 O ATOM 302 CB VAL A 168 6.917 -4.109 5.356 1.00 0.39 C ATOM 303 CG1 VAL A 168 7.933 -3.042 5.017 1.00 0.73 C ATOM 304 CG2 VAL A 168 6.439 -3.978 6.793 1.00 0.88 C ATOM 0 H VAL A 168 4.611 -5.787 4.746 1.00 0.25 H new ATOM 0 HA VAL A 168 5.443 -3.034 4.227 1.00 0.27 H new ATOM 0 HB VAL A 168 7.402 -5.081 5.265 1.00 0.39 H new ATOM 0 HG11 VAL A 168 8.756 -3.084 5.730 1.00 0.73 H new ATOM 0 HG12 VAL A 168 8.316 -3.211 4.010 1.00 0.73 H new ATOM 0 HG13 VAL A 168 7.460 -2.061 5.066 1.00 0.73 H new ATOM 0 HG21 VAL A 168 7.296 -4.008 7.466 1.00 0.88 H new ATOM 0 HG22 VAL A 168 5.913 -3.031 6.917 1.00 0.88 H new ATOM 0 HG23 VAL A 168 5.764 -4.801 7.029 1.00 0.88 H new ATOM 314 N VAL A 169 6.403 -3.854 2.076 1.00 0.26 N ATOM 315 CA VAL A 169 6.950 -4.277 0.800 1.00 0.26 C ATOM 316 C VAL A 169 8.139 -3.403 0.440 1.00 0.28 C ATOM 317 O VAL A 169 8.018 -2.181 0.365 1.00 0.29 O ATOM 318 CB VAL A 169 5.912 -4.212 -0.341 1.00 0.32 C ATOM 319 CG1 VAL A 169 6.563 -4.518 -1.683 1.00 1.17 C ATOM 320 CG2 VAL A 169 4.767 -5.175 -0.089 1.00 1.31 C ATOM 0 H VAL A 169 6.186 -2.859 2.128 1.00 0.26 H new ATOM 0 HA VAL A 169 7.255 -5.318 0.911 1.00 0.26 H new ATOM 0 HB VAL A 169 5.513 -3.198 -0.368 1.00 0.32 H new ATOM 0 HG11 VAL A 169 5.812 -4.466 -2.472 1.00 1.17 H new ATOM 0 HG12 VAL A 169 7.348 -3.789 -1.881 1.00 1.17 H new ATOM 0 HG13 VAL A 169 6.995 -5.518 -1.658 1.00 1.17 H new ATOM 0 HG21 VAL A 169 4.050 -5.110 -0.907 1.00 1.31 H new ATOM 0 HG22 VAL A 169 5.154 -6.192 -0.026 1.00 1.31 H new ATOM 0 HG23 VAL A 169 4.273 -4.916 0.848 1.00 1.31 H new ATOM 330 N PRO A 170 9.308 -4.022 0.260 1.00 0.31 N ATOM 331 CA PRO A 170 10.509 -3.334 -0.204 1.00 0.32 C ATOM 332 C PRO A 170 10.231 -2.510 -1.454 1.00 0.28 C ATOM 333 O PRO A 170 9.570 -2.983 -2.380 1.00 0.33 O ATOM 334 CB PRO A 170 11.470 -4.476 -0.534 1.00 0.40 C ATOM 335 CG PRO A 170 11.023 -5.621 0.308 1.00 0.59 C ATOM 336 CD PRO A 170 9.545 -5.445 0.527 1.00 0.39 C ATOM 0 HA PRO A 170 10.897 -2.636 0.537 1.00 0.32 H new ATOM 0 HB2 PRO A 170 11.432 -4.728 -1.594 1.00 0.40 H new ATOM 0 HB3 PRO A 170 12.500 -4.201 -0.309 1.00 0.40 H new ATOM 0 HG2 PRO A 170 11.231 -6.570 -0.187 1.00 0.59 H new ATOM 0 HG3 PRO A 170 11.556 -5.634 1.259 1.00 0.59 H new ATOM 0 HD2 PRO A 170 8.965 -6.078 -0.144 1.00 0.39 H new ATOM 0 HD3 PRO A 170 9.259 -5.712 1.544 1.00 0.39 H new ATOM 344 N ALA A 171 10.740 -1.282 -1.473 1.00 0.24 N ATOM 345 CA ALA A 171 10.494 -0.369 -2.583 1.00 0.21 C ATOM 346 C ALA A 171 11.036 -0.954 -3.874 1.00 0.24 C ATOM 347 O ALA A 171 12.246 -1.005 -4.092 1.00 0.35 O ATOM 348 CB ALA A 171 11.127 0.985 -2.317 1.00 0.21 C ATOM 0 H ALA A 171 11.325 -0.897 -0.732 1.00 0.24 H new ATOM 0 HA ALA A 171 9.417 -0.232 -2.681 1.00 0.21 H new ATOM 0 HB1 ALA A 171 10.931 1.650 -3.158 1.00 0.21 H new ATOM 0 HB2 ALA A 171 10.702 1.413 -1.409 1.00 0.21 H new ATOM 0 HB3 ALA A 171 12.203 0.865 -2.192 1.00 0.21 H new ATOM 354 N ARG A 172 10.129 -1.415 -4.714 1.00 0.26 N ATOM 355 CA ARG A 172 10.497 -2.082 -5.943 1.00 0.29 C ATOM 356 C ARG A 172 10.378 -1.148 -7.135 1.00 0.27 C ATOM 357 O ARG A 172 9.281 -0.762 -7.531 1.00 0.27 O ATOM 358 CB ARG A 172 9.622 -3.324 -6.126 1.00 0.33 C ATOM 359 CG ARG A 172 10.045 -4.510 -5.267 1.00 0.46 C ATOM 360 CD ARG A 172 11.487 -4.930 -5.534 1.00 0.56 C ATOM 361 NE ARG A 172 12.458 -3.986 -4.970 1.00 1.33 N ATOM 362 CZ ARG A 172 13.626 -3.682 -5.537 1.00 1.81 C ATOM 363 NH1 ARG A 172 13.985 -4.256 -6.675 1.00 1.58 N ATOM 364 NH2 ARG A 172 14.432 -2.795 -4.965 1.00 2.81 N ATOM 0 H ARG A 172 9.123 -1.337 -4.563 1.00 0.26 H new ATOM 0 HA ARG A 172 11.541 -2.387 -5.880 1.00 0.29 H new ATOM 0 HB2 ARG A 172 8.589 -3.067 -5.890 1.00 0.33 H new ATOM 0 HB3 ARG A 172 9.645 -3.621 -7.175 1.00 0.33 H new ATOM 0 HG2 ARG A 172 9.933 -4.252 -4.214 1.00 0.46 H new ATOM 0 HG3 ARG A 172 9.381 -5.352 -5.461 1.00 0.46 H new ATOM 0 HD2 ARG A 172 11.659 -5.920 -5.111 1.00 0.56 H new ATOM 0 HD3 ARG A 172 11.646 -5.011 -6.609 1.00 0.56 H new ATOM 0 HE ARG A 172 12.225 -3.533 -4.087 1.00 1.33 H new ATOM 0 HH11 ARG A 172 13.367 -4.934 -7.121 1.00 1.58 H new ATOM 0 HH12 ARG A 172 14.879 -4.020 -7.105 1.00 1.58 H new ATOM 0 HH21 ARG A 172 14.158 -2.346 -4.091 1.00 2.81 H new ATOM 0 HH22 ARG A 172 15.325 -2.563 -5.399 1.00 2.81 H new ATOM 378 N CYS A 173 11.519 -0.791 -7.702 1.00 0.30 N ATOM 379 CA CYS A 173 11.554 0.057 -8.879 1.00 0.32 C ATOM 380 C CYS A 173 11.189 -0.755 -10.113 1.00 0.31 C ATOM 381 O CYS A 173 11.799 -1.789 -10.390 1.00 0.41 O ATOM 382 CB CYS A 173 12.940 0.685 -9.032 1.00 0.40 C ATOM 383 SG CYS A 173 14.295 -0.512 -9.016 1.00 1.44 S ATOM 0 H CYS A 173 12.437 -1.078 -7.363 1.00 0.30 H new ATOM 0 HA CYS A 173 10.825 0.860 -8.766 1.00 0.32 H new ATOM 0 HB2 CYS A 173 12.973 1.244 -9.967 1.00 0.40 H new ATOM 0 HB3 CYS A 173 13.093 1.403 -8.226 1.00 0.40 H new ATOM 0 HG CYS A 173 13.911 -1.610 -9.597 1.00 1.44 H new ATOM 389 N GLY A 174 10.175 -0.306 -10.828 1.00 0.30 N ATOM 390 CA GLY A 174 9.690 -1.048 -11.967 1.00 0.33 C ATOM 391 C GLY A 174 8.458 -1.840 -11.602 1.00 0.30 C ATOM 392 O GLY A 174 7.802 -2.435 -12.460 1.00 0.43 O ATOM 0 H GLY A 174 9.676 0.564 -10.639 1.00 0.30 H new ATOM 0 HA2 GLY A 174 9.459 -0.363 -12.783 1.00 0.33 H new ATOM 0 HA3 GLY A 174 10.468 -1.721 -12.327 1.00 0.33 H new ATOM 396 N VAL A 175 8.146 -1.846 -10.314 1.00 0.25 N ATOM 397 CA VAL A 175 6.972 -2.532 -9.813 1.00 0.28 C ATOM 398 C VAL A 175 5.882 -1.531 -9.496 1.00 0.26 C ATOM 399 O VAL A 175 6.106 -0.544 -8.792 1.00 0.35 O ATOM 400 CB VAL A 175 7.275 -3.365 -8.550 1.00 0.35 C ATOM 401 CG1 VAL A 175 5.988 -3.873 -7.917 1.00 0.69 C ATOM 402 CG2 VAL A 175 8.157 -4.545 -8.891 1.00 0.97 C ATOM 0 H VAL A 175 8.697 -1.378 -9.594 1.00 0.25 H new ATOM 0 HA VAL A 175 6.643 -3.215 -10.596 1.00 0.28 H new ATOM 0 HB VAL A 175 7.792 -2.718 -7.842 1.00 0.35 H new ATOM 0 HG11 VAL A 175 6.226 -4.458 -7.028 1.00 0.69 H new ATOM 0 HG12 VAL A 175 5.361 -3.026 -7.637 1.00 0.69 H new ATOM 0 HG13 VAL A 175 5.454 -4.500 -8.631 1.00 0.69 H new ATOM 0 HG21 VAL A 175 8.360 -5.121 -7.988 1.00 0.97 H new ATOM 0 HG22 VAL A 175 7.651 -5.179 -9.619 1.00 0.97 H new ATOM 0 HG23 VAL A 175 9.097 -4.187 -9.312 1.00 0.97 H new ATOM 412 N THR A 176 4.709 -1.785 -10.027 1.00 0.22 N ATOM 413 CA THR A 176 3.565 -0.959 -9.747 1.00 0.25 C ATOM 414 C THR A 176 2.997 -1.301 -8.378 1.00 0.23 C ATOM 415 O THR A 176 3.228 -2.412 -7.863 1.00 0.25 O ATOM 416 CB THR A 176 2.482 -1.141 -10.821 1.00 0.31 C ATOM 417 OG1 THR A 176 2.221 -2.536 -11.011 1.00 0.47 O ATOM 418 CG2 THR A 176 2.910 -0.519 -12.139 1.00 0.40 C ATOM 0 H THR A 176 4.524 -2.564 -10.659 1.00 0.22 H new ATOM 0 HA THR A 176 3.886 0.082 -9.754 1.00 0.25 H new ATOM 0 HB THR A 176 1.576 -0.639 -10.482 1.00 0.31 H new ATOM 0 HG1 THR A 176 1.939 -2.693 -11.936 1.00 0.47 H new ATOM 0 HG21 THR A 176 2.125 -0.663 -12.881 1.00 0.40 H new ATOM 0 HG22 THR A 176 3.085 0.548 -11.998 1.00 0.40 H new ATOM 0 HG23 THR A 176 3.828 -0.995 -12.485 1.00 0.40 H new ATOM 426 N VAL A 177 2.284 -0.358 -7.781 1.00 0.25 N ATOM 427 CA VAL A 177 1.665 -0.581 -6.485 1.00 0.27 C ATOM 428 C VAL A 177 0.915 -1.902 -6.492 1.00 0.24 C ATOM 429 O VAL A 177 1.045 -2.692 -5.561 1.00 0.28 O ATOM 430 CB VAL A 177 0.682 0.553 -6.104 1.00 0.34 C ATOM 431 CG1 VAL A 177 0.185 0.389 -4.678 1.00 1.20 C ATOM 432 CG2 VAL A 177 1.322 1.916 -6.289 1.00 1.39 C ATOM 0 H VAL A 177 2.120 0.569 -8.174 1.00 0.25 H new ATOM 0 HA VAL A 177 2.465 -0.599 -5.745 1.00 0.27 H new ATOM 0 HB VAL A 177 -0.175 0.485 -6.774 1.00 0.34 H new ATOM 0 HG11 VAL A 177 -0.504 1.199 -4.437 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -0.330 -0.567 -4.580 1.00 1.20 H new ATOM 0 HG13 VAL A 177 1.032 0.417 -3.992 1.00 1.20 H new ATOM 0 HG21 VAL A 177 0.609 2.693 -6.014 1.00 1.39 H new ATOM 0 HG22 VAL A 177 2.205 1.993 -5.654 1.00 1.39 H new ATOM 0 HG23 VAL A 177 1.613 2.043 -7.332 1.00 1.39 H new ATOM 442 N ARG A 178 0.189 -2.166 -7.579 1.00 0.23 N ATOM 443 CA ARG A 178 -0.661 -3.344 -7.644 1.00 0.26 C ATOM 444 C ARG A 178 0.089 -4.627 -7.329 1.00 0.23 C ATOM 445 O ARG A 178 -0.384 -5.403 -6.533 1.00 0.33 O ATOM 446 CB ARG A 178 -1.385 -3.481 -8.977 1.00 0.39 C ATOM 447 CG ARG A 178 -0.487 -3.471 -10.184 1.00 0.85 C ATOM 448 CD ARG A 178 -1.009 -2.484 -11.192 1.00 1.65 C ATOM 449 NE ARG A 178 -2.307 -2.879 -11.742 1.00 2.02 N ATOM 450 CZ ARG A 178 -3.046 -2.097 -12.530 1.00 2.82 C ATOM 451 NH1 ARG A 178 -2.577 -0.918 -12.923 1.00 3.53 N ATOM 452 NH2 ARG A 178 -4.244 -2.503 -12.939 1.00 3.28 N ATOM 0 H ARG A 178 0.175 -1.583 -8.416 1.00 0.23 H new ATOM 0 HA ARG A 178 -1.411 -3.189 -6.869 1.00 0.26 H new ATOM 0 HB2 ARG A 178 -1.954 -4.411 -8.972 1.00 0.39 H new ATOM 0 HB3 ARG A 178 -2.104 -2.667 -9.070 1.00 0.39 H new ATOM 0 HG2 ARG A 178 0.529 -3.205 -9.892 1.00 0.85 H new ATOM 0 HG3 ARG A 178 -0.442 -4.467 -10.625 1.00 0.85 H new ATOM 0 HD2 ARG A 178 -1.099 -1.504 -10.723 1.00 1.65 H new ATOM 0 HD3 ARG A 178 -0.289 -2.384 -12.004 1.00 1.65 H new ATOM 0 HE ARG A 178 -2.667 -3.805 -11.509 1.00 2.02 H new ATOM 0 HH11 ARG A 178 -1.652 -0.611 -12.622 1.00 3.53 H new ATOM 0 HH12 ARG A 178 -3.142 -0.320 -13.526 1.00 3.53 H new ATOM 0 HH21 ARG A 178 -4.600 -3.414 -12.650 1.00 3.28 H new ATOM 0 HH22 ARG A 178 -4.807 -1.903 -13.542 1.00 3.28 H new ATOM 466 N ASP A 179 1.260 -4.842 -7.913 1.00 0.20 N ATOM 467 CA ASP A 179 1.972 -6.100 -7.716 1.00 0.19 C ATOM 468 C ASP A 179 2.449 -6.202 -6.285 1.00 0.17 C ATOM 469 O ASP A 179 2.193 -7.194 -5.580 1.00 0.18 O ATOM 470 CB ASP A 179 3.177 -6.199 -8.657 1.00 0.23 C ATOM 471 CG ASP A 179 3.910 -7.523 -8.535 1.00 0.32 C ATOM 472 OD1 ASP A 179 4.877 -7.605 -7.749 1.00 1.12 O ATOM 473 OD2 ASP A 179 3.524 -8.489 -9.225 1.00 1.19 O ATOM 0 H ASP A 179 1.733 -4.172 -8.520 1.00 0.20 H new ATOM 0 HA ASP A 179 1.285 -6.917 -7.937 1.00 0.19 H new ATOM 0 HB2 ASP A 179 2.841 -6.068 -9.686 1.00 0.23 H new ATOM 0 HB3 ASP A 179 3.869 -5.385 -8.442 1.00 0.23 H new ATOM 478 N SER A 180 3.100 -5.141 -5.859 1.00 0.17 N ATOM 479 CA SER A 180 3.709 -5.084 -4.557 1.00 0.18 C ATOM 480 C SER A 180 2.666 -5.280 -3.465 1.00 0.17 C ATOM 481 O SER A 180 2.757 -6.204 -2.636 1.00 0.19 O ATOM 482 CB SER A 180 4.424 -3.742 -4.431 1.00 0.22 C ATOM 483 OG SER A 180 3.702 -2.714 -5.086 1.00 1.34 O ATOM 0 H SER A 180 3.220 -4.292 -6.412 1.00 0.17 H new ATOM 0 HA SER A 180 4.434 -5.890 -4.438 1.00 0.18 H new ATOM 0 HB2 SER A 180 4.547 -3.490 -3.378 1.00 0.22 H new ATOM 0 HB3 SER A 180 5.424 -3.818 -4.859 1.00 0.22 H new ATOM 0 HG SER A 180 2.743 -2.910 -5.044 1.00 1.34 H new ATOM 489 N LEU A 181 1.640 -4.460 -3.478 1.00 0.17 N ATOM 490 CA LEU A 181 0.696 -4.525 -2.412 1.00 0.18 C ATOM 491 C LEU A 181 -0.485 -5.470 -2.700 1.00 0.18 C ATOM 492 O LEU A 181 -1.327 -5.662 -1.833 1.00 0.20 O ATOM 493 CB LEU A 181 0.292 -3.108 -1.965 1.00 0.24 C ATOM 494 CG LEU A 181 -0.955 -2.434 -2.549 1.00 0.35 C ATOM 495 CD1 LEU A 181 -1.295 -2.911 -3.939 1.00 1.08 C ATOM 496 CD2 LEU A 181 -2.125 -2.596 -1.603 1.00 0.96 C ATOM 0 H LEU A 181 1.449 -3.763 -4.197 1.00 0.17 H new ATOM 0 HA LEU A 181 1.183 -4.992 -1.556 1.00 0.18 H new ATOM 0 HB2 LEU A 181 0.166 -3.136 -0.883 1.00 0.24 H new ATOM 0 HB3 LEU A 181 1.138 -2.452 -2.170 1.00 0.24 H new ATOM 0 HG LEU A 181 -0.727 -1.373 -2.653 1.00 0.35 H new ATOM 0 HD11 LEU A 181 -2.187 -2.394 -4.293 1.00 1.08 H new ATOM 0 HD12 LEU A 181 -0.463 -2.699 -4.610 1.00 1.08 H new ATOM 0 HD13 LEU A 181 -1.481 -3.985 -3.920 1.00 1.08 H new ATOM 0 HD21 LEU A 181 -3.006 -2.114 -2.027 1.00 0.96 H new ATOM 0 HD22 LEU A 181 -2.328 -3.656 -1.454 1.00 0.96 H new ATOM 0 HD23 LEU A 181 -1.885 -2.135 -0.645 1.00 0.96 H new ATOM 508 N LYS A 182 -0.566 -6.091 -3.890 1.00 0.18 N ATOM 509 CA LYS A 182 -1.566 -7.151 -4.046 1.00 0.22 C ATOM 510 C LYS A 182 -1.112 -8.341 -3.234 1.00 0.22 C ATOM 511 O LYS A 182 -1.928 -9.074 -2.675 1.00 0.25 O ATOM 512 CB LYS A 182 -1.834 -7.569 -5.497 1.00 0.32 C ATOM 513 CG LYS A 182 -0.687 -8.292 -6.170 1.00 0.75 C ATOM 514 CD LYS A 182 -1.063 -8.761 -7.569 1.00 0.76 C ATOM 515 CE LYS A 182 -1.483 -7.606 -8.467 1.00 0.80 C ATOM 516 NZ LYS A 182 -1.800 -8.062 -9.845 1.00 1.15 N ATOM 0 H LYS A 182 0.010 -5.893 -4.708 1.00 0.18 H new ATOM 0 HA LYS A 182 -2.517 -6.754 -3.690 1.00 0.22 H new ATOM 0 HB2 LYS A 182 -2.714 -8.212 -5.519 1.00 0.32 H new ATOM 0 HB3 LYS A 182 -2.076 -6.679 -6.078 1.00 0.32 H new ATOM 0 HG2 LYS A 182 0.177 -7.630 -6.228 1.00 0.75 H new ATOM 0 HG3 LYS A 182 -0.392 -9.150 -5.565 1.00 0.75 H new ATOM 0 HD2 LYS A 182 -0.215 -9.278 -8.017 1.00 0.76 H new ATOM 0 HD3 LYS A 182 -1.877 -9.482 -7.502 1.00 0.76 H new ATOM 0 HE2 LYS A 182 -2.355 -7.112 -8.039 1.00 0.80 H new ATOM 0 HE3 LYS A 182 -0.684 -6.866 -8.504 1.00 0.80 H new ATOM 0 HZ1 LYS A 182 -2.082 -7.246 -10.425 1.00 1.15 H new ATOM 0 HZ2 LYS A 182 -0.961 -8.511 -10.264 1.00 1.15 H new ATOM 0 HZ3 LYS A 182 -2.580 -8.749 -9.812 1.00 1.15 H new ATOM 530 N LYS A 183 0.206 -8.515 -3.150 1.00 0.22 N ATOM 531 CA LYS A 183 0.762 -9.477 -2.221 1.00 0.25 C ATOM 532 C LYS A 183 0.468 -9.025 -0.798 1.00 0.23 C ATOM 533 O LYS A 183 0.182 -9.847 0.068 1.00 0.26 O ATOM 534 CB LYS A 183 2.265 -9.663 -2.438 1.00 0.33 C ATOM 535 CG LYS A 183 2.922 -10.533 -1.377 1.00 0.40 C ATOM 536 CD LYS A 183 3.621 -9.692 -0.322 1.00 1.18 C ATOM 537 CE LYS A 183 5.118 -9.587 -0.577 1.00 1.31 C ATOM 538 NZ LYS A 183 5.435 -9.031 -1.919 1.00 1.80 N ATOM 0 H LYS A 183 0.893 -8.008 -3.707 1.00 0.22 H new ATOM 0 HA LYS A 183 0.294 -10.446 -2.396 1.00 0.25 H new ATOM 0 HB2 LYS A 183 2.431 -10.110 -3.418 1.00 0.33 H new ATOM 0 HB3 LYS A 183 2.748 -8.686 -2.447 1.00 0.33 H new ATOM 0 HG2 LYS A 183 2.168 -11.161 -0.902 1.00 0.40 H new ATOM 0 HG3 LYS A 183 3.643 -11.201 -1.848 1.00 0.40 H new ATOM 0 HD2 LYS A 183 3.185 -8.693 -0.307 1.00 1.18 H new ATOM 0 HD3 LYS A 183 3.450 -10.129 0.662 1.00 1.18 H new ATOM 0 HE2 LYS A 183 5.569 -8.956 0.189 1.00 1.31 H new ATOM 0 HE3 LYS A 183 5.569 -10.575 -0.482 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 6.462 -8.886 -2.001 1.00 1.80 H new ATOM 0 HZ2 LYS A 183 5.119 -9.696 -2.654 1.00 1.80 H new ATOM 0 HZ3 LYS A 183 4.946 -8.121 -2.042 1.00 1.80 H new ATOM 552 N ALA A 184 0.529 -7.713 -0.561 1.00 0.23 N ATOM 553 CA ALA A 184 0.131 -7.153 0.731 1.00 0.26 C ATOM 554 C ALA A 184 -1.269 -7.630 1.137 1.00 0.25 C ATOM 555 O ALA A 184 -1.457 -8.143 2.244 1.00 0.29 O ATOM 556 CB ALA A 184 0.177 -5.639 0.681 1.00 0.30 C ATOM 0 H ALA A 184 0.848 -7.023 -1.242 1.00 0.23 H new ATOM 0 HA ALA A 184 0.836 -7.506 1.483 1.00 0.26 H new ATOM 0 HB1 ALA A 184 -0.121 -5.234 1.648 1.00 0.30 H new ATOM 0 HB2 ALA A 184 1.191 -5.313 0.448 1.00 0.30 H new ATOM 0 HB3 ALA A 184 -0.506 -5.279 -0.089 1.00 0.30 H new ATOM 562 N LEU A 185 -2.247 -7.458 0.243 1.00 0.23 N ATOM 563 CA LEU A 185 -3.609 -7.947 0.482 1.00 0.26 C ATOM 564 C LEU A 185 -3.600 -9.450 0.755 1.00 0.24 C ATOM 565 O LEU A 185 -4.130 -9.910 1.766 1.00 0.27 O ATOM 566 CB LEU A 185 -4.532 -7.664 -0.715 1.00 0.31 C ATOM 567 CG LEU A 185 -5.156 -6.260 -0.791 1.00 0.50 C ATOM 568 CD1 LEU A 185 -5.822 -5.878 0.517 1.00 1.46 C ATOM 569 CD2 LEU A 185 -4.132 -5.222 -1.180 1.00 1.11 C ATOM 0 H LEU A 185 -2.122 -6.985 -0.652 1.00 0.23 H new ATOM 0 HA LEU A 185 -3.991 -7.414 1.353 1.00 0.26 H new ATOM 0 HB2 LEU A 185 -3.964 -7.834 -1.630 1.00 0.31 H new ATOM 0 HB3 LEU A 185 -5.340 -8.395 -0.701 1.00 0.31 H new ATOM 0 HG LEU A 185 -5.921 -6.292 -1.567 1.00 0.50 H new ATOM 0 HD11 LEU A 185 -6.252 -4.880 0.428 1.00 1.46 H new ATOM 0 HD12 LEU A 185 -6.611 -6.594 0.747 1.00 1.46 H new ATOM 0 HD13 LEU A 185 -5.082 -5.884 1.317 1.00 1.46 H new ATOM 0 HD21 LEU A 185 -4.606 -4.242 -1.224 1.00 1.11 H new ATOM 0 HD22 LEU A 185 -3.332 -5.205 -0.440 1.00 1.11 H new ATOM 0 HD23 LEU A 185 -3.717 -5.469 -2.157 1.00 1.11 H new ATOM 581 N MET A 186 -2.970 -10.201 -0.144 1.00 0.22 N ATOM 582 CA MET A 186 -2.950 -11.661 -0.076 1.00 0.26 C ATOM 583 C MET A 186 -2.254 -12.183 1.182 1.00 0.29 C ATOM 584 O MET A 186 -2.497 -13.311 1.609 1.00 0.34 O ATOM 585 CB MET A 186 -2.269 -12.221 -1.318 1.00 0.30 C ATOM 586 CG MET A 186 -3.095 -12.067 -2.583 1.00 0.35 C ATOM 587 SD MET A 186 -4.411 -13.292 -2.704 1.00 0.98 S ATOM 588 CE MET A 186 -5.134 -12.858 -4.284 1.00 1.45 C ATOM 0 H MET A 186 -2.460 -9.817 -0.939 1.00 0.22 H new ATOM 0 HA MET A 186 -3.985 -11.999 -0.030 1.00 0.26 H new ATOM 0 HB2 MET A 186 -1.311 -11.719 -1.455 1.00 0.30 H new ATOM 0 HB3 MET A 186 -2.055 -13.278 -1.160 1.00 0.30 H new ATOM 0 HG2 MET A 186 -3.530 -11.068 -2.609 1.00 0.35 H new ATOM 0 HG3 MET A 186 -2.442 -12.153 -3.452 1.00 0.35 H new ATOM 0 HE1 MET A 186 -5.976 -13.518 -4.492 1.00 1.45 H new ATOM 0 HE2 MET A 186 -5.481 -11.825 -4.254 1.00 1.45 H new ATOM 0 HE3 MET A 186 -4.385 -12.967 -5.069 1.00 1.45 H new ATOM 598 N MET A 187 -1.396 -11.366 1.778 1.00 0.30 N ATOM 599 CA MET A 187 -0.713 -11.751 3.009 1.00 0.37 C ATOM 600 C MET A 187 -1.694 -11.754 4.177 1.00 0.40 C ATOM 601 O MET A 187 -1.642 -12.628 5.042 1.00 0.53 O ATOM 602 CB MET A 187 0.475 -10.828 3.297 1.00 0.44 C ATOM 603 CG MET A 187 1.709 -11.134 2.454 1.00 0.49 C ATOM 604 SD MET A 187 2.334 -12.805 2.724 1.00 0.72 S ATOM 605 CE MET A 187 3.791 -12.799 1.680 1.00 0.85 C ATOM 0 H MET A 187 -1.156 -10.437 1.432 1.00 0.30 H new ATOM 0 HA MET A 187 -0.321 -12.760 2.880 1.00 0.37 H new ATOM 0 HB2 MET A 187 0.173 -9.796 3.121 1.00 0.44 H new ATOM 0 HB3 MET A 187 0.738 -10.907 4.352 1.00 0.44 H new ATOM 0 HG2 MET A 187 1.465 -11.007 1.399 1.00 0.49 H new ATOM 0 HG3 MET A 187 2.493 -10.414 2.689 1.00 0.49 H new ATOM 0 HE1 MET A 187 4.287 -13.768 1.741 1.00 0.85 H new ATOM 0 HE2 MET A 187 3.498 -12.606 0.648 1.00 0.85 H new ATOM 0 HE3 MET A 187 4.475 -12.020 2.015 1.00 0.85 H new ATOM 615 N ARG A 188 -2.602 -10.784 4.181 1.00 0.35 N ATOM 616 CA ARG A 188 -3.695 -10.757 5.135 1.00 0.41 C ATOM 617 C ARG A 188 -4.728 -11.813 4.762 1.00 0.41 C ATOM 618 O ARG A 188 -5.495 -12.286 5.599 1.00 0.50 O ATOM 619 CB ARG A 188 -4.357 -9.384 5.125 1.00 0.47 C ATOM 620 CG ARG A 188 -3.571 -8.288 5.823 1.00 0.79 C ATOM 621 CD ARG A 188 -3.563 -8.453 7.338 1.00 0.63 C ATOM 622 NE ARG A 188 -4.858 -8.909 7.847 1.00 1.20 N ATOM 623 CZ ARG A 188 -5.012 -9.820 8.811 1.00 1.43 C ATOM 624 NH1 ARG A 188 -3.953 -10.412 9.353 1.00 1.42 N ATOM 625 NH2 ARG A 188 -6.232 -10.141 9.223 1.00 2.12 N ATOM 0 H ARG A 188 -2.598 -10.002 3.527 1.00 0.35 H new ATOM 0 HA ARG A 188 -3.302 -10.964 6.130 1.00 0.41 H new ATOM 0 HB2 ARG A 188 -4.526 -9.086 4.090 1.00 0.47 H new ATOM 0 HB3 ARG A 188 -5.336 -9.466 5.597 1.00 0.47 H new ATOM 0 HG2 ARG A 188 -2.545 -8.290 5.455 1.00 0.79 H new ATOM 0 HG3 ARG A 188 -4.000 -7.319 5.568 1.00 0.79 H new ATOM 0 HD2 ARG A 188 -2.790 -9.168 7.621 1.00 0.63 H new ATOM 0 HD3 ARG A 188 -3.304 -7.503 7.805 1.00 0.63 H new ATOM 0 HE ARG A 188 -5.699 -8.503 7.437 1.00 1.20 H new ATOM 0 HH11 ARG A 188 -3.015 -10.171 9.033 1.00 1.42 H new ATOM 0 HH12 ARG A 188 -4.078 -11.107 10.089 1.00 1.42 H new ATOM 0 HH21 ARG A 188 -7.046 -9.692 8.804 1.00 2.12 H new ATOM 0 HH22 ARG A 188 -6.355 -10.836 9.959 1.00 2.12 H new ATOM 639 N GLY A 189 -4.725 -12.174 3.488 1.00 0.37 N ATOM 640 CA GLY A 189 -5.688 -13.120 2.964 1.00 0.42 C ATOM 641 C GLY A 189 -6.769 -12.425 2.166 1.00 0.43 C ATOM 642 O GLY A 189 -7.760 -13.037 1.769 1.00 0.53 O ATOM 0 H GLY A 189 -4.061 -11.822 2.798 1.00 0.37 H new ATOM 0 HA2 GLY A 189 -5.178 -13.847 2.332 1.00 0.42 H new ATOM 0 HA3 GLY A 189 -6.140 -13.674 3.787 1.00 0.42 H new ATOM 646 N LEU A 190 -6.561 -11.143 1.913 1.00 0.37 N ATOM 647 CA LEU A 190 -7.543 -10.319 1.224 1.00 0.40 C ATOM 648 C LEU A 190 -7.214 -10.218 -0.259 1.00 0.35 C ATOM 649 O LEU A 190 -6.203 -10.749 -0.721 1.00 0.37 O ATOM 650 CB LEU A 190 -7.569 -8.915 1.832 1.00 0.45 C ATOM 651 CG LEU A 190 -7.670 -8.856 3.356 1.00 0.61 C ATOM 652 CD1 LEU A 190 -7.922 -7.431 3.814 1.00 1.05 C ATOM 653 CD2 LEU A 190 -8.757 -9.785 3.864 1.00 1.28 C ATOM 0 H LEU A 190 -5.711 -10.645 2.178 1.00 0.37 H new ATOM 0 HA LEU A 190 -8.521 -10.786 1.340 1.00 0.40 H new ATOM 0 HB2 LEU A 190 -6.665 -8.389 1.525 1.00 0.45 H new ATOM 0 HB3 LEU A 190 -8.413 -8.371 1.409 1.00 0.45 H new ATOM 0 HG LEU A 190 -6.721 -9.191 3.775 1.00 0.61 H new ATOM 0 HD11 LEU A 190 -7.992 -7.405 4.901 1.00 1.05 H new ATOM 0 HD12 LEU A 190 -7.100 -6.793 3.488 1.00 1.05 H new ATOM 0 HD13 LEU A 190 -8.855 -7.070 3.382 1.00 1.05 H new ATOM 0 HD21 LEU A 190 -8.809 -9.725 4.951 1.00 1.28 H new ATOM 0 HD22 LEU A 190 -9.716 -9.490 3.438 1.00 1.28 H new ATOM 0 HD23 LEU A 190 -8.528 -10.809 3.568 1.00 1.28 H new ATOM 665 N ILE A 191 -8.078 -9.540 -1.001 1.00 0.37 N ATOM 666 CA ILE A 191 -7.853 -9.296 -2.413 1.00 0.35 C ATOM 667 C ILE A 191 -7.916 -7.803 -2.721 1.00 0.36 C ATOM 668 O ILE A 191 -8.727 -7.068 -2.153 1.00 0.39 O ATOM 669 CB ILE A 191 -8.875 -10.043 -3.294 1.00 0.39 C ATOM 670 CG1 ILE A 191 -10.307 -9.639 -2.923 1.00 0.45 C ATOM 671 CG2 ILE A 191 -8.679 -11.541 -3.135 1.00 0.41 C ATOM 672 CD1 ILE A 191 -11.356 -10.114 -3.903 1.00 0.52 C ATOM 0 H ILE A 191 -8.948 -9.147 -0.642 1.00 0.37 H new ATOM 0 HA ILE A 191 -6.857 -9.674 -2.645 1.00 0.35 H new ATOM 0 HB ILE A 191 -8.713 -9.772 -4.337 1.00 0.39 H new ATOM 0 HG12 ILE A 191 -10.541 -10.037 -1.936 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -10.359 -8.553 -2.850 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -9.401 -12.070 -3.757 1.00 0.41 H new ATOM 0 HG22 ILE A 191 -7.668 -11.810 -3.442 1.00 0.41 H new ATOM 0 HG23 ILE A 191 -8.827 -11.819 -2.091 1.00 0.41 H new ATOM 0 HD11 ILE A 191 -12.341 -9.787 -3.569 1.00 0.52 H new ATOM 0 HD12 ILE A 191 -11.150 -9.695 -4.888 1.00 0.52 H new ATOM 0 HD13 ILE A 191 -11.335 -11.202 -3.960 1.00 0.52 H new ATOM 684 N PRO A 192 -7.040 -7.341 -3.625 1.00 0.39 N ATOM 685 CA PRO A 192 -6.963 -5.930 -4.023 1.00 0.43 C ATOM 686 C PRO A 192 -8.142 -5.504 -4.889 1.00 0.41 C ATOM 687 O PRO A 192 -8.328 -4.321 -5.162 1.00 0.46 O ATOM 688 CB PRO A 192 -5.662 -5.864 -4.822 1.00 0.52 C ATOM 689 CG PRO A 192 -5.491 -7.235 -5.371 1.00 0.48 C ATOM 690 CD PRO A 192 -6.036 -8.165 -4.324 1.00 0.43 C ATOM 0 HA PRO A 192 -6.989 -5.261 -3.163 1.00 0.43 H new ATOM 0 HB2 PRO A 192 -5.723 -5.122 -5.619 1.00 0.52 H new ATOM 0 HB3 PRO A 192 -4.821 -5.583 -4.188 1.00 0.52 H new ATOM 0 HG2 PRO A 192 -6.027 -7.349 -6.313 1.00 0.48 H new ATOM 0 HG3 PRO A 192 -4.441 -7.447 -5.574 1.00 0.48 H new ATOM 0 HD2 PRO A 192 -6.484 -9.053 -4.769 1.00 0.43 H new ATOM 0 HD3 PRO A 192 -5.255 -8.508 -3.646 1.00 0.43 H new ATOM 698 N GLU A 193 -8.928 -6.485 -5.320 1.00 0.39 N ATOM 699 CA GLU A 193 -10.107 -6.258 -6.117 1.00 0.43 C ATOM 700 C GLU A 193 -11.055 -5.273 -5.437 1.00 0.36 C ATOM 701 O GLU A 193 -11.531 -4.316 -6.050 1.00 0.45 O ATOM 702 CB GLU A 193 -10.812 -7.590 -6.303 1.00 0.57 C ATOM 703 CG GLU A 193 -11.724 -7.607 -7.489 1.00 0.99 C ATOM 704 CD GLU A 193 -12.630 -8.818 -7.529 1.00 1.20 C ATOM 705 OE1 GLU A 193 -12.168 -9.908 -7.918 1.00 1.73 O ATOM 706 OE2 GLU A 193 -13.821 -8.677 -7.183 1.00 1.74 O ATOM 0 H GLU A 193 -8.753 -7.469 -5.118 1.00 0.39 H new ATOM 0 HA GLU A 193 -9.815 -5.831 -7.076 1.00 0.43 H new ATOM 0 HB2 GLU A 193 -10.066 -8.377 -6.413 1.00 0.57 H new ATOM 0 HB3 GLU A 193 -11.387 -7.819 -5.406 1.00 0.57 H new ATOM 0 HG2 GLU A 193 -12.335 -6.705 -7.482 1.00 0.99 H new ATOM 0 HG3 GLU A 193 -11.125 -7.579 -8.400 1.00 0.99 H new ATOM 713 N CYS A 194 -11.307 -5.514 -4.161 1.00 0.33 N ATOM 714 CA CYS A 194 -12.261 -4.724 -3.400 1.00 0.36 C ATOM 715 C CYS A 194 -11.549 -3.717 -2.499 1.00 0.33 C ATOM 716 O CYS A 194 -12.089 -3.290 -1.480 1.00 0.49 O ATOM 717 CB CYS A 194 -13.134 -5.658 -2.561 1.00 0.48 C ATOM 718 SG CYS A 194 -14.079 -6.854 -3.533 1.00 1.69 S ATOM 0 H CYS A 194 -10.859 -6.258 -3.626 1.00 0.33 H new ATOM 0 HA CYS A 194 -12.885 -4.164 -4.096 1.00 0.36 H new ATOM 0 HB2 CYS A 194 -12.499 -6.197 -1.858 1.00 0.48 H new ATOM 0 HB3 CYS A 194 -13.826 -5.058 -1.970 1.00 0.48 H new ATOM 0 HG CYS A 194 -14.784 -7.600 -2.736 1.00 1.69 H new ATOM 724 N CYS A 195 -10.343 -3.327 -2.884 1.00 0.27 N ATOM 725 CA CYS A 195 -9.544 -2.420 -2.075 1.00 0.25 C ATOM 726 C CYS A 195 -8.980 -1.283 -2.931 1.00 0.23 C ATOM 727 O CYS A 195 -8.795 -1.443 -4.137 1.00 0.29 O ATOM 728 CB CYS A 195 -8.408 -3.198 -1.394 1.00 0.28 C ATOM 729 SG CYS A 195 -8.981 -4.507 -0.284 1.00 0.52 S ATOM 0 H CYS A 195 -9.897 -3.625 -3.752 1.00 0.27 H new ATOM 0 HA CYS A 195 -10.181 -1.978 -1.309 1.00 0.25 H new ATOM 0 HB2 CYS A 195 -7.771 -3.638 -2.161 1.00 0.28 H new ATOM 0 HB3 CYS A 195 -7.790 -2.500 -0.829 1.00 0.28 H new ATOM 0 HG CYS A 195 -8.963 -5.646 -0.910 1.00 0.52 H new ATOM 735 N ALA A 196 -8.759 -0.132 -2.310 1.00 0.26 N ATOM 736 CA ALA A 196 -8.118 1.004 -2.953 1.00 0.26 C ATOM 737 C ALA A 196 -6.896 1.414 -2.151 1.00 0.25 C ATOM 738 O ALA A 196 -6.804 1.110 -0.965 1.00 0.39 O ATOM 739 CB ALA A 196 -9.080 2.169 -3.043 1.00 0.37 C ATOM 0 H ALA A 196 -9.022 0.039 -1.339 1.00 0.26 H new ATOM 0 HA ALA A 196 -7.818 0.718 -3.961 1.00 0.26 H new ATOM 0 HB1 ALA A 196 -8.586 3.012 -3.526 1.00 0.37 H new ATOM 0 HB2 ALA A 196 -9.953 1.876 -3.627 1.00 0.37 H new ATOM 0 HB3 ALA A 196 -9.395 2.459 -2.041 1.00 0.37 H new ATOM 745 N VAL A 197 -5.968 2.112 -2.778 1.00 0.23 N ATOM 746 CA VAL A 197 -4.726 2.459 -2.106 1.00 0.23 C ATOM 747 C VAL A 197 -4.603 3.954 -1.846 1.00 0.24 C ATOM 748 O VAL A 197 -4.867 4.789 -2.712 1.00 0.36 O ATOM 749 CB VAL A 197 -3.496 1.965 -2.884 1.00 0.29 C ATOM 750 CG1 VAL A 197 -2.212 2.239 -2.113 1.00 0.94 C ATOM 751 CG2 VAL A 197 -3.638 0.490 -3.179 1.00 1.06 C ATOM 0 H VAL A 197 -6.046 2.447 -3.738 1.00 0.23 H new ATOM 0 HA VAL A 197 -4.759 1.949 -1.143 1.00 0.23 H new ATOM 0 HB VAL A 197 -3.437 2.512 -3.825 1.00 0.29 H new ATOM 0 HG11 VAL A 197 -1.359 1.879 -2.688 1.00 0.94 H new ATOM 0 HG12 VAL A 197 -2.110 3.311 -1.945 1.00 0.94 H new ATOM 0 HG13 VAL A 197 -2.247 1.723 -1.153 1.00 0.94 H new ATOM 0 HG21 VAL A 197 -2.764 0.144 -3.731 1.00 1.06 H new ATOM 0 HG22 VAL A 197 -3.718 -0.062 -2.243 1.00 1.06 H new ATOM 0 HG23 VAL A 197 -4.534 0.323 -3.777 1.00 1.06 H new ATOM 761 N TYR A 198 -4.189 4.258 -0.634 1.00 0.29 N ATOM 762 CA TYR A 198 -4.001 5.617 -0.165 1.00 0.37 C ATOM 763 C TYR A 198 -2.677 5.731 0.576 1.00 0.45 C ATOM 764 O TYR A 198 -1.993 4.738 0.808 1.00 0.88 O ATOM 765 CB TYR A 198 -5.101 5.999 0.817 1.00 0.93 C ATOM 766 CG TYR A 198 -6.402 6.451 0.220 1.00 0.33 C ATOM 767 CD1 TYR A 198 -6.757 7.784 0.281 1.00 0.69 C ATOM 768 CD2 TYR A 198 -7.284 5.555 -0.365 1.00 0.53 C ATOM 769 CE1 TYR A 198 -7.956 8.227 -0.225 1.00 1.46 C ATOM 770 CE2 TYR A 198 -8.488 5.985 -0.883 1.00 1.18 C ATOM 771 CZ TYR A 198 -8.823 7.324 -0.811 1.00 1.70 C ATOM 772 OH TYR A 198 -10.027 7.755 -1.317 1.00 2.49 O ATOM 0 H TYR A 198 -3.969 3.552 0.069 1.00 0.29 H new ATOM 0 HA TYR A 198 -4.021 6.275 -1.034 1.00 0.37 H new ATOM 0 HB2 TYR A 198 -5.300 5.140 1.458 1.00 0.93 H new ATOM 0 HB3 TYR A 198 -4.725 6.796 1.459 1.00 0.93 H new ATOM 0 HD1 TYR A 198 -6.080 8.492 0.735 1.00 0.69 H new ATOM 0 HD2 TYR A 198 -7.025 4.508 -0.416 1.00 0.53 H new ATOM 0 HE1 TYR A 198 -8.219 9.273 -0.165 1.00 1.46 H new ATOM 0 HE2 TYR A 198 -9.165 5.280 -1.342 1.00 1.18 H new ATOM 0 HH TYR A 198 -10.515 6.993 -1.694 1.00 2.49 H new ATOM 934 N ILE A 208 -3.559 6.986 -4.113 1.00 0.36 N ATOM 935 CA ILE A 208 -2.552 6.578 -5.073 1.00 0.36 C ATOM 936 C ILE A 208 -3.159 5.733 -6.187 1.00 0.32 C ATOM 937 O ILE A 208 -4.252 5.177 -6.043 1.00 0.44 O ATOM 938 CB ILE A 208 -1.464 5.778 -4.349 1.00 0.42 C ATOM 939 CG1 ILE A 208 -1.039 6.549 -3.115 1.00 0.56 C ATOM 940 CG2 ILE A 208 -0.266 5.528 -5.248 1.00 0.52 C ATOM 941 CD1 ILE A 208 -0.369 5.703 -2.075 1.00 0.90 C ATOM 0 HA ILE A 208 -2.122 7.471 -5.527 1.00 0.36 H new ATOM 0 HB ILE A 208 -1.867 4.805 -4.068 1.00 0.42 H new ATOM 0 HG12 ILE A 208 -0.360 7.348 -3.413 1.00 0.56 H new ATOM 0 HG13 ILE A 208 -1.916 7.024 -2.674 1.00 0.56 H new ATOM 0 HG21 ILE A 208 0.486 4.958 -4.702 1.00 0.52 H new ATOM 0 HG22 ILE A 208 -0.581 4.965 -6.126 1.00 0.52 H new ATOM 0 HG23 ILE A 208 0.159 6.482 -5.562 1.00 0.52 H new ATOM 0 HD11 ILE A 208 -0.094 6.324 -1.223 1.00 0.90 H new ATOM 0 HD12 ILE A 208 -1.053 4.920 -1.748 1.00 0.90 H new ATOM 0 HD13 ILE A 208 0.527 5.249 -2.497 1.00 0.90 H new ATOM 953 N GLY A 209 -2.446 5.658 -7.298 1.00 0.34 N ATOM 954 CA GLY A 209 -2.868 4.832 -8.400 1.00 0.37 C ATOM 955 C GLY A 209 -2.160 3.498 -8.375 1.00 0.31 C ATOM 956 O GLY A 209 -0.995 3.418 -7.992 1.00 0.33 O ATOM 0 H GLY A 209 -1.573 6.162 -7.454 1.00 0.34 H new ATOM 0 HA2 GLY A 209 -3.946 4.677 -8.352 1.00 0.37 H new ATOM 0 HA3 GLY A 209 -2.661 5.341 -9.341 1.00 0.37 H new ATOM 960 N TRP A 210 -2.851 2.457 -8.790 1.00 0.29 N ATOM 961 CA TRP A 210 -2.301 1.109 -8.756 1.00 0.27 C ATOM 962 C TRP A 210 -1.206 0.945 -9.803 1.00 0.27 C ATOM 963 O TRP A 210 -0.373 0.046 -9.711 1.00 0.30 O ATOM 964 CB TRP A 210 -3.423 0.093 -8.975 1.00 0.31 C ATOM 965 CG TRP A 210 -4.433 0.100 -7.867 1.00 0.28 C ATOM 966 CD1 TRP A 210 -5.402 1.035 -7.639 1.00 0.31 C ATOM 967 CD2 TRP A 210 -4.567 -0.875 -6.832 1.00 0.26 C ATOM 968 NE1 TRP A 210 -6.122 0.702 -6.519 1.00 0.30 N ATOM 969 CE2 TRP A 210 -5.629 -0.470 -6.008 1.00 0.26 C ATOM 970 CE3 TRP A 210 -3.887 -2.052 -6.523 1.00 0.29 C ATOM 971 CZ2 TRP A 210 -6.026 -1.203 -4.895 1.00 0.26 C ATOM 972 CZ3 TRP A 210 -4.282 -2.780 -5.417 1.00 0.31 C ATOM 973 CH2 TRP A 210 -5.345 -2.352 -4.615 1.00 0.29 C ATOM 0 H TRP A 210 -3.801 2.515 -9.158 1.00 0.29 H new ATOM 0 HA TRP A 210 -1.851 0.933 -7.779 1.00 0.27 H new ATOM 0 HB2 TRP A 210 -3.924 0.308 -9.919 1.00 0.31 H new ATOM 0 HB3 TRP A 210 -2.993 -0.905 -9.063 1.00 0.31 H new ATOM 0 HD1 TRP A 210 -5.576 1.908 -8.250 1.00 0.31 H new ATOM 0 HE1 TRP A 210 -6.897 1.239 -6.131 1.00 0.30 H new ATOM 0 HE3 TRP A 210 -3.065 -2.389 -7.138 1.00 0.29 H new ATOM 0 HZ2 TRP A 210 -6.846 -0.874 -4.273 1.00 0.26 H new ATOM 0 HZ3 TRP A 210 -3.762 -3.693 -5.168 1.00 0.31 H new ATOM 0 HH2 TRP A 210 -5.632 -2.942 -3.757 1.00 0.29 H new ATOM 984 N ASP A 211 -1.198 1.848 -10.775 1.00 0.27 N ATOM 985 CA ASP A 211 -0.214 1.819 -11.851 1.00 0.29 C ATOM 986 C ASP A 211 1.020 2.626 -11.464 1.00 0.25 C ATOM 987 O ASP A 211 2.016 2.648 -12.187 1.00 0.32 O ATOM 988 CB ASP A 211 -0.814 2.378 -13.141 1.00 0.39 C ATOM 989 CG ASP A 211 -1.181 3.842 -13.023 1.00 1.49 C ATOM 990 OD1 ASP A 211 -2.308 4.142 -12.570 1.00 2.30 O ATOM 991 OD2 ASP A 211 -0.352 4.700 -13.387 1.00 2.30 O ATOM 0 H ASP A 211 -1.867 2.615 -10.841 1.00 0.27 H new ATOM 0 HA ASP A 211 0.078 0.782 -12.018 1.00 0.29 H new ATOM 0 HB2 ASP A 211 -0.100 2.250 -13.955 1.00 0.39 H new ATOM 0 HB3 ASP A 211 -1.703 1.804 -13.403 1.00 0.39 H new ATOM 996 N THR A 212 0.937 3.286 -10.321 1.00 0.23 N ATOM 997 CA THR A 212 2.048 4.046 -9.785 1.00 0.23 C ATOM 998 C THR A 212 3.160 3.100 -9.330 1.00 0.21 C ATOM 999 O THR A 212 2.894 1.983 -8.902 1.00 0.26 O ATOM 1000 CB THR A 212 1.563 4.918 -8.609 1.00 0.25 C ATOM 1001 OG1 THR A 212 0.563 5.835 -9.075 1.00 0.30 O ATOM 1002 CG2 THR A 212 2.702 5.692 -7.957 1.00 0.31 C ATOM 0 H THR A 212 0.098 3.309 -9.741 1.00 0.23 H new ATOM 0 HA THR A 212 2.447 4.697 -10.563 1.00 0.23 H new ATOM 0 HB THR A 212 1.145 4.252 -7.854 1.00 0.25 H new ATOM 0 HG1 THR A 212 -0.314 5.398 -9.061 1.00 0.30 H new ATOM 0 HG21 THR A 212 2.311 6.291 -7.135 1.00 0.31 H new ATOM 0 HG22 THR A 212 3.445 4.992 -7.575 1.00 0.31 H new ATOM 0 HG23 THR A 212 3.166 6.347 -8.695 1.00 0.31 H new ATOM 1010 N ASP A 213 4.397 3.542 -9.468 1.00 0.23 N ATOM 1011 CA ASP A 213 5.550 2.751 -9.059 1.00 0.25 C ATOM 1012 C ASP A 213 5.733 2.845 -7.545 1.00 0.23 C ATOM 1013 O ASP A 213 5.743 3.940 -6.984 1.00 0.29 O ATOM 1014 CB ASP A 213 6.796 3.269 -9.780 1.00 0.32 C ATOM 1015 CG ASP A 213 8.013 2.390 -9.585 1.00 0.93 C ATOM 1016 OD1 ASP A 213 8.390 1.677 -10.539 1.00 1.73 O ATOM 1017 OD2 ASP A 213 8.619 2.434 -8.499 1.00 1.66 O ATOM 0 H ASP A 213 4.633 4.452 -9.863 1.00 0.23 H new ATOM 0 HA ASP A 213 5.392 1.706 -9.324 1.00 0.25 H new ATOM 0 HB2 ASP A 213 6.583 3.350 -10.846 1.00 0.32 H new ATOM 0 HB3 ASP A 213 7.022 4.274 -9.423 1.00 0.32 H new ATOM 1022 N ILE A 214 5.873 1.696 -6.886 1.00 0.23 N ATOM 1023 CA ILE A 214 5.946 1.652 -5.424 1.00 0.21 C ATOM 1024 C ILE A 214 7.259 2.249 -4.902 1.00 0.19 C ATOM 1025 O ILE A 214 7.335 2.705 -3.762 1.00 0.21 O ATOM 1026 CB ILE A 214 5.736 0.210 -4.876 1.00 0.22 C ATOM 1027 CG1 ILE A 214 5.960 0.167 -3.356 1.00 0.24 C ATOM 1028 CG2 ILE A 214 6.639 -0.792 -5.581 1.00 0.26 C ATOM 1029 CD1 ILE A 214 5.739 -1.197 -2.737 1.00 0.29 C ATOM 0 H ILE A 214 5.938 0.784 -7.339 1.00 0.23 H new ATOM 0 HA ILE A 214 5.129 2.269 -5.051 1.00 0.21 H new ATOM 0 HB ILE A 214 4.704 -0.073 -5.081 1.00 0.22 H new ATOM 0 HG12 ILE A 214 6.978 0.491 -3.140 1.00 0.24 H new ATOM 0 HG13 ILE A 214 5.290 0.883 -2.880 1.00 0.24 H new ATOM 0 HG21 ILE A 214 6.466 -1.788 -5.173 1.00 0.26 H new ATOM 0 HG22 ILE A 214 6.418 -0.793 -6.648 1.00 0.26 H new ATOM 0 HG23 ILE A 214 7.682 -0.513 -5.427 1.00 0.26 H new ATOM 0 HD11 ILE A 214 5.917 -1.142 -1.663 1.00 0.29 H new ATOM 0 HD12 ILE A 214 4.713 -1.517 -2.919 1.00 0.29 H new ATOM 0 HD13 ILE A 214 6.428 -1.915 -3.183 1.00 0.29 H new ATOM 1041 N SER A 215 8.278 2.296 -5.749 1.00 0.21 N ATOM 1042 CA SER A 215 9.549 2.894 -5.366 1.00 0.23 C ATOM 1043 C SER A 215 9.443 4.424 -5.371 1.00 0.25 C ATOM 1044 O SER A 215 10.365 5.122 -4.950 1.00 0.31 O ATOM 1045 CB SER A 215 10.671 2.421 -6.295 1.00 0.31 C ATOM 1046 OG SER A 215 11.912 3.021 -5.956 1.00 1.07 O ATOM 0 H SER A 215 8.250 1.929 -6.700 1.00 0.21 H new ATOM 0 HA SER A 215 9.792 2.572 -4.354 1.00 0.23 H new ATOM 0 HB2 SER A 215 10.761 1.336 -6.236 1.00 0.31 H new ATOM 0 HB3 SER A 215 10.418 2.664 -7.327 1.00 0.31 H new ATOM 0 HG SER A 215 11.757 3.933 -5.631 1.00 1.07 H new ATOM 1052 N TRP A 216 8.319 4.940 -5.859 1.00 0.25 N ATOM 1053 CA TRP A 216 8.032 6.369 -5.776 1.00 0.33 C ATOM 1054 C TRP A 216 7.461 6.696 -4.403 1.00 0.33 C ATOM 1055 O TRP A 216 7.326 7.861 -4.025 1.00 0.45 O ATOM 1056 CB TRP A 216 7.026 6.788 -6.854 1.00 0.40 C ATOM 1057 CG TRP A 216 7.598 6.878 -8.236 1.00 1.13 C ATOM 1058 CD1 TRP A 216 8.561 6.084 -8.786 1.00 1.75 C ATOM 1059 CD2 TRP A 216 7.223 7.815 -9.251 1.00 1.92 C ATOM 1060 NE1 TRP A 216 8.815 6.476 -10.077 1.00 2.60 N ATOM 1061 CE2 TRP A 216 8.005 7.536 -10.387 1.00 2.73 C ATOM 1062 CE3 TRP A 216 6.304 8.866 -9.308 1.00 2.29 C ATOM 1063 CZ2 TRP A 216 7.896 8.270 -11.566 1.00 3.66 C ATOM 1064 CZ3 TRP A 216 6.194 9.592 -10.478 1.00 3.27 C ATOM 1065 CH2 TRP A 216 6.985 9.290 -11.594 1.00 3.87 C ATOM 0 H TRP A 216 7.592 4.390 -6.316 1.00 0.25 H new ATOM 0 HA TRP A 216 8.962 6.916 -5.934 1.00 0.33 H new ATOM 0 HB2 TRP A 216 6.202 6.074 -6.861 1.00 0.40 H new ATOM 0 HB3 TRP A 216 6.606 7.757 -6.584 1.00 0.40 H new ATOM 0 HD1 TRP A 216 9.052 5.266 -8.280 1.00 1.75 H new ATOM 0 HE1 TRP A 216 9.496 6.047 -10.704 1.00 2.60 H new ATOM 0 HE3 TRP A 216 5.690 9.106 -8.452 1.00 2.29 H new ATOM 0 HZ2 TRP A 216 8.508 8.042 -12.426 1.00 3.66 H new ATOM 0 HZ3 TRP A 216 5.486 10.406 -10.533 1.00 3.27 H new ATOM 0 HH2 TRP A 216 6.873 9.875 -12.495 1.00 3.87 H new ATOM 1076 N LEU A 217 7.122 5.649 -3.662 1.00 0.25 N ATOM 1077 CA LEU A 217 6.461 5.792 -2.375 1.00 0.26 C ATOM 1078 C LEU A 217 7.369 5.296 -1.253 1.00 0.24 C ATOM 1079 O LEU A 217 6.948 5.185 -0.107 1.00 0.25 O ATOM 1080 CB LEU A 217 5.150 5.002 -2.392 1.00 0.26 C ATOM 1081 CG LEU A 217 4.315 5.175 -3.668 1.00 0.47 C ATOM 1082 CD1 LEU A 217 3.081 4.294 -3.633 1.00 1.21 C ATOM 1083 CD2 LEU A 217 3.923 6.632 -3.864 1.00 0.92 C ATOM 0 H LEU A 217 7.297 4.682 -3.936 1.00 0.25 H new ATOM 0 HA LEU A 217 6.245 6.845 -2.194 1.00 0.26 H new ATOM 0 HB2 LEU A 217 5.377 3.944 -2.263 1.00 0.26 H new ATOM 0 HB3 LEU A 217 4.548 5.305 -1.536 1.00 0.26 H new ATOM 0 HG LEU A 217 4.930 4.867 -4.514 1.00 0.47 H new ATOM 0 HD11 LEU A 217 2.507 4.436 -4.549 1.00 1.21 H new ATOM 0 HD12 LEU A 217 3.382 3.250 -3.551 1.00 1.21 H new ATOM 0 HD13 LEU A 217 2.466 4.563 -2.774 1.00 1.21 H new ATOM 0 HD21 LEU A 217 3.332 6.730 -4.774 1.00 0.92 H new ATOM 0 HD22 LEU A 217 3.334 6.968 -3.011 1.00 0.92 H new ATOM 0 HD23 LEU A 217 4.822 7.243 -3.947 1.00 0.92 H new ATOM 1095 N THR A 218 8.608 4.972 -1.617 1.00 0.25 N ATOM 1096 CA THR A 218 9.632 4.534 -0.675 1.00 0.26 C ATOM 1097 C THR A 218 9.656 5.359 0.610 1.00 0.28 C ATOM 1098 O THR A 218 9.599 6.589 0.573 1.00 0.32 O ATOM 1099 CB THR A 218 11.022 4.634 -1.308 1.00 0.31 C ATOM 1100 OG1 THR A 218 11.032 4.005 -2.592 1.00 0.32 O ATOM 1101 CG2 THR A 218 12.036 3.980 -0.404 1.00 0.39 C ATOM 0 H THR A 218 8.931 5.007 -2.584 1.00 0.25 H new ATOM 0 HA THR A 218 9.380 3.503 -0.427 1.00 0.26 H new ATOM 0 HB THR A 218 11.278 5.686 -1.437 1.00 0.31 H new ATOM 0 HG1 THR A 218 10.834 4.670 -3.284 1.00 0.32 H new ATOM 0 HG21 THR A 218 13.026 4.052 -0.855 1.00 0.39 H new ATOM 0 HG22 THR A 218 12.041 4.484 0.562 1.00 0.39 H new ATOM 0 HG23 THR A 218 11.776 2.931 -0.265 1.00 0.39 H new ATOM 1109 N GLY A 219 9.746 4.666 1.744 1.00 0.30 N ATOM 1110 CA GLY A 219 9.888 5.332 3.021 1.00 0.37 C ATOM 1111 C GLY A 219 8.619 6.028 3.447 1.00 0.38 C ATOM 1112 O GLY A 219 8.622 6.844 4.370 1.00 0.53 O ATOM 0 H GLY A 219 9.722 3.648 1.796 1.00 0.30 H new ATOM 0 HA2 GLY A 219 10.172 4.602 3.779 1.00 0.37 H new ATOM 0 HA3 GLY A 219 10.697 6.060 2.961 1.00 0.37 H new ATOM 1116 N GLU A 220 7.540 5.715 2.757 1.00 0.29 N ATOM 1117 CA GLU A 220 6.239 6.277 3.074 1.00 0.29 C ATOM 1118 C GLU A 220 5.295 5.175 3.533 1.00 0.28 C ATOM 1119 O GLU A 220 5.339 4.055 3.025 1.00 0.40 O ATOM 1120 CB GLU A 220 5.660 7.002 1.853 1.00 0.36 C ATOM 1121 CG GLU A 220 4.307 7.646 2.105 1.00 1.26 C ATOM 1122 CD GLU A 220 4.395 8.855 3.012 1.00 1.53 C ATOM 1123 OE1 GLU A 220 4.391 9.990 2.488 1.00 2.02 O ATOM 1124 OE2 GLU A 220 4.463 8.680 4.246 1.00 2.16 O ATOM 0 H GLU A 220 7.538 5.070 1.967 1.00 0.29 H new ATOM 0 HA GLU A 220 6.354 7.000 3.881 1.00 0.29 H new ATOM 0 HB2 GLU A 220 6.363 7.770 1.532 1.00 0.36 H new ATOM 0 HB3 GLU A 220 5.566 6.292 1.031 1.00 0.36 H new ATOM 0 HG2 GLU A 220 3.867 7.943 1.153 1.00 1.26 H new ATOM 0 HG3 GLU A 220 3.637 6.911 2.550 1.00 1.26 H new ATOM 1131 N GLU A 221 4.477 5.482 4.525 1.00 0.30 N ATOM 1132 CA GLU A 221 3.471 4.555 5.001 1.00 0.30 C ATOM 1133 C GLU A 221 2.172 4.753 4.234 1.00 0.31 C ATOM 1134 O GLU A 221 1.607 5.848 4.204 1.00 0.38 O ATOM 1135 CB GLU A 221 3.215 4.738 6.497 1.00 0.38 C ATOM 1136 CG GLU A 221 4.388 4.365 7.398 1.00 0.46 C ATOM 1137 CD GLU A 221 5.588 5.273 7.241 1.00 1.26 C ATOM 1138 OE1 GLU A 221 5.419 6.505 7.325 1.00 2.01 O ATOM 1139 OE2 GLU A 221 6.712 4.757 7.060 1.00 2.03 O ATOM 0 H GLU A 221 4.493 6.375 5.018 1.00 0.30 H new ATOM 0 HA GLU A 221 3.842 3.544 4.835 1.00 0.30 H new ATOM 0 HB2 GLU A 221 2.951 5.779 6.681 1.00 0.38 H new ATOM 0 HB3 GLU A 221 2.352 4.135 6.780 1.00 0.38 H new ATOM 0 HG2 GLU A 221 4.059 4.389 8.437 1.00 0.46 H new ATOM 0 HG3 GLU A 221 4.689 3.340 7.182 1.00 0.46 H new ATOM 1146 N LEU A 222 1.707 3.689 3.620 1.00 0.26 N ATOM 1147 CA LEU A 222 0.474 3.717 2.850 1.00 0.27 C ATOM 1148 C LEU A 222 -0.672 3.156 3.677 1.00 0.25 C ATOM 1149 O LEU A 222 -0.453 2.607 4.752 1.00 0.32 O ATOM 1150 CB LEU A 222 0.632 2.897 1.569 1.00 0.29 C ATOM 1151 CG LEU A 222 1.151 3.650 0.339 1.00 0.54 C ATOM 1152 CD1 LEU A 222 2.453 4.375 0.638 1.00 1.19 C ATOM 1153 CD2 LEU A 222 1.336 2.681 -0.819 1.00 1.19 C ATOM 0 H LEU A 222 2.168 2.779 3.637 1.00 0.26 H new ATOM 0 HA LEU A 222 0.253 4.751 2.586 1.00 0.27 H new ATOM 0 HB2 LEU A 222 1.311 2.069 1.775 1.00 0.29 H new ATOM 0 HB3 LEU A 222 -0.336 2.462 1.320 1.00 0.29 H new ATOM 0 HG LEU A 222 0.412 4.403 0.064 1.00 0.54 H new ATOM 0 HD11 LEU A 222 2.792 4.898 -0.256 1.00 1.19 H new ATOM 0 HD12 LEU A 222 2.293 5.095 1.441 1.00 1.19 H new ATOM 0 HD13 LEU A 222 3.210 3.653 0.944 1.00 1.19 H new ATOM 0 HD21 LEU A 222 1.705 3.222 -1.691 1.00 1.19 H new ATOM 0 HD22 LEU A 222 2.055 1.911 -0.538 1.00 1.19 H new ATOM 0 HD23 LEU A 222 0.381 2.214 -1.059 1.00 1.19 H new ATOM 1165 N HIS A 223 -1.890 3.296 3.180 1.00 0.24 N ATOM 1166 CA HIS A 223 -3.047 2.699 3.826 1.00 0.26 C ATOM 1167 C HIS A 223 -4.091 2.337 2.770 1.00 0.28 C ATOM 1168 O HIS A 223 -4.427 3.147 1.912 1.00 0.46 O ATOM 1169 CB HIS A 223 -3.633 3.624 4.921 1.00 0.45 C ATOM 1170 CG HIS A 223 -4.417 4.805 4.440 1.00 0.94 C ATOM 1171 ND1 HIS A 223 -5.792 4.822 4.386 1.00 1.30 N ATOM 1172 CD2 HIS A 223 -4.016 6.038 4.068 1.00 1.85 C ATOM 1173 CE1 HIS A 223 -6.201 6.013 4.006 1.00 2.26 C ATOM 1174 NE2 HIS A 223 -5.145 6.778 3.808 1.00 2.63 N ATOM 0 H HIS A 223 -2.103 3.818 2.330 1.00 0.24 H new ATOM 0 HA HIS A 223 -2.733 1.786 4.333 1.00 0.26 H new ATOM 0 HB2 HIS A 223 -4.276 3.026 5.566 1.00 0.45 H new ATOM 0 HB3 HIS A 223 -2.811 3.987 5.538 1.00 0.45 H new ATOM 0 HD1 HIS A 223 -6.400 4.033 4.607 1.00 1.30 H new ATOM 0 HD2 HIS A 223 -2.995 6.381 3.989 1.00 1.85 H new ATOM 0 HE1 HIS A 223 -7.230 6.314 3.878 1.00 2.26 H new ATOM 1183 N VAL A 224 -4.576 1.110 2.829 1.00 0.27 N ATOM 1184 CA VAL A 224 -5.548 0.610 1.867 1.00 0.34 C ATOM 1185 C VAL A 224 -6.960 0.691 2.433 1.00 0.38 C ATOM 1186 O VAL A 224 -7.204 0.337 3.592 1.00 0.51 O ATOM 1187 CB VAL A 224 -5.232 -0.850 1.472 1.00 0.55 C ATOM 1188 CG1 VAL A 224 -6.377 -1.488 0.703 1.00 0.91 C ATOM 1189 CG2 VAL A 224 -3.977 -0.901 0.633 1.00 0.97 C ATOM 0 H VAL A 224 -4.310 0.431 3.542 1.00 0.27 H new ATOM 0 HA VAL A 224 -5.485 1.238 0.978 1.00 0.34 H new ATOM 0 HB VAL A 224 -5.087 -1.412 2.394 1.00 0.55 H new ATOM 0 HG11 VAL A 224 -6.115 -2.514 0.444 1.00 0.91 H new ATOM 0 HG12 VAL A 224 -7.275 -1.488 1.321 1.00 0.91 H new ATOM 0 HG13 VAL A 224 -6.564 -0.920 -0.209 1.00 0.91 H new ATOM 0 HG21 VAL A 224 -3.763 -1.934 0.360 1.00 0.97 H new ATOM 0 HG22 VAL A 224 -4.119 -0.309 -0.271 1.00 0.97 H new ATOM 0 HG23 VAL A 224 -3.141 -0.496 1.204 1.00 0.97 H new ATOM 1199 N GLU A 225 -7.872 1.165 1.600 1.00 0.38 N ATOM 1200 CA GLU A 225 -9.255 1.386 1.992 1.00 0.49 C ATOM 1201 C GLU A 225 -10.186 0.527 1.146 1.00 0.39 C ATOM 1202 O GLU A 225 -10.129 0.567 -0.078 1.00 0.46 O ATOM 1203 CB GLU A 225 -9.608 2.863 1.808 1.00 0.68 C ATOM 1204 CG GLU A 225 -8.708 3.807 2.589 1.00 0.93 C ATOM 1205 CD GLU A 225 -8.762 3.569 4.087 1.00 1.32 C ATOM 1206 OE1 GLU A 225 -7.746 3.118 4.664 1.00 1.78 O ATOM 1207 OE2 GLU A 225 -9.816 3.843 4.695 1.00 1.94 O ATOM 0 H GLU A 225 -7.674 1.408 0.630 1.00 0.38 H new ATOM 0 HA GLU A 225 -9.376 1.109 3.039 1.00 0.49 H new ATOM 0 HB2 GLU A 225 -9.549 3.112 0.749 1.00 0.68 H new ATOM 0 HB3 GLU A 225 -10.641 3.022 2.116 1.00 0.68 H new ATOM 0 HG2 GLU A 225 -7.681 3.690 2.244 1.00 0.93 H new ATOM 0 HG3 GLU A 225 -8.999 4.836 2.379 1.00 0.93 H new ATOM 1214 N VAL A 226 -11.031 -0.254 1.798 1.00 0.50 N ATOM 1215 CA VAL A 226 -11.959 -1.133 1.093 1.00 0.48 C ATOM 1216 C VAL A 226 -12.942 -0.335 0.239 1.00 0.52 C ATOM 1217 O VAL A 226 -13.566 0.617 0.712 1.00 0.69 O ATOM 1218 CB VAL A 226 -12.735 -2.030 2.077 1.00 0.64 C ATOM 1219 CG1 VAL A 226 -13.692 -2.961 1.344 1.00 1.12 C ATOM 1220 CG2 VAL A 226 -11.759 -2.824 2.926 1.00 1.12 C ATOM 0 H VAL A 226 -11.096 -0.300 2.815 1.00 0.50 H new ATOM 0 HA VAL A 226 -11.362 -1.766 0.437 1.00 0.48 H new ATOM 0 HB VAL A 226 -13.335 -1.391 2.725 1.00 0.64 H new ATOM 0 HG11 VAL A 226 -14.223 -3.580 2.067 1.00 1.12 H new ATOM 0 HG12 VAL A 226 -14.410 -2.370 0.775 1.00 1.12 H new ATOM 0 HG13 VAL A 226 -13.129 -3.600 0.664 1.00 1.12 H new ATOM 0 HG21 VAL A 226 -12.312 -3.457 3.620 1.00 1.12 H new ATOM 0 HG22 VAL A 226 -11.140 -3.447 2.281 1.00 1.12 H new ATOM 0 HG23 VAL A 226 -11.124 -2.139 3.487 1.00 1.12 H new