USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 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 Set 1.1: A 164 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.915) USER MOD Set 1.2: A 223 HIS : no HE2:sc= 1.13 K(o=2.4,f=-4.1!) USER MOD Single : A 163 ASN : amide:sc= -0.0169 X(o=-0.017,f=0.026) USER MOD Single : A 165 GLN : amide:sc= -0.199 K(o=-0.2,f=-2.5!) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 173 CYS SG : rot 180:sc= 0.136 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 180 SER OG : rot 140:sc= -0.188 USER MOD Single : A 182 LYS NZ :NH3+ -167:sc= -0.0311 (180deg=-0.211) USER MOD Single : A 183 LYS NZ :NH3+ 157:sc= -0.0419 (180deg=-0.313) USER MOD Single : A 186 MET CE :methyl 168:sc= -1.6 (180deg=-2.18!) USER MOD Single : A 187 MET CE :methyl 160:sc= -0.0149 (180deg=-0.862) USER MOD Single : A 194 CYS SG : rot 180:sc= -0.425 USER MOD Single : A 195 CYS SG : rot 96:sc= -1.21 USER MOD Single : A 198 TYR OH : rot 180:sc= -0.748 USER MOD Single : A 212 THR OG1 : rot -160:sc= 0 USER MOD Single : A 215 SER OG : rot -15:sc= 0.152 USER MOD Single : A 218 THR OG1 : rot 104:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 15.286 -0.817 0.647 1.00 0.42 N ATOM 66 CA PRO A 155 14.200 0.130 0.877 1.00 0.38 C ATOM 67 C PRO A 155 12.878 -0.580 1.136 1.00 0.33 C ATOM 68 O PRO A 155 12.607 -1.629 0.550 1.00 0.33 O ATOM 69 CB PRO A 155 14.132 0.888 -0.440 1.00 0.40 C ATOM 70 CG PRO A 155 14.547 -0.115 -1.451 1.00 0.39 C ATOM 71 CD PRO A 155 15.626 -0.922 -0.788 1.00 0.43 C ATOM 0 HA PRO A 155 14.372 0.761 1.749 1.00 0.38 H new ATOM 0 HB2 PRO A 155 13.126 1.260 -0.636 1.00 0.40 H new ATOM 0 HB3 PRO A 155 14.796 1.752 -0.438 1.00 0.40 H new ATOM 0 HG2 PRO A 155 13.709 -0.746 -1.746 1.00 0.39 H new ATOM 0 HG3 PRO A 155 14.916 0.368 -2.356 1.00 0.39 H new ATOM 0 HD2 PRO A 155 15.623 -1.957 -1.129 1.00 0.43 H new ATOM 0 HD3 PRO A 155 16.617 -0.520 -0.998 1.00 0.43 H new ATOM 79 N ILE A 156 12.060 -0.014 2.005 1.00 0.33 N ATOM 80 CA ILE A 156 10.739 -0.562 2.269 1.00 0.29 C ATOM 81 C ILE A 156 9.689 0.536 2.289 1.00 0.29 C ATOM 82 O ILE A 156 9.955 1.660 2.713 1.00 0.37 O ATOM 83 CB ILE A 156 10.674 -1.338 3.607 1.00 0.31 C ATOM 84 CG1 ILE A 156 11.289 -0.511 4.741 1.00 0.38 C ATOM 85 CG2 ILE A 156 11.361 -2.695 3.484 1.00 0.37 C ATOM 86 CD1 ILE A 156 11.046 -1.090 6.118 1.00 0.79 C ATOM 0 H ILE A 156 12.286 0.824 2.540 1.00 0.33 H new ATOM 0 HA ILE A 156 10.535 -1.260 1.457 1.00 0.29 H new ATOM 0 HB ILE A 156 9.626 -1.516 3.847 1.00 0.31 H new ATOM 0 HG12 ILE A 156 12.363 -0.427 4.576 1.00 0.38 H new ATOM 0 HG13 ILE A 156 10.881 0.499 4.704 1.00 0.38 H new ATOM 0 HG21 ILE A 156 11.302 -3.221 4.437 1.00 0.37 H new ATOM 0 HG22 ILE A 156 10.866 -3.285 2.713 1.00 0.37 H new ATOM 0 HG23 ILE A 156 12.407 -2.550 3.214 1.00 0.37 H new ATOM 0 HD11 ILE A 156 11.511 -0.451 6.869 1.00 0.79 H new ATOM 0 HD12 ILE A 156 9.974 -1.148 6.304 1.00 0.79 H new ATOM 0 HD13 ILE A 156 11.479 -2.089 6.174 1.00 0.79 H new ATOM 98 N VAL A 157 8.505 0.208 1.807 1.00 0.25 N ATOM 99 CA VAL A 157 7.369 1.101 1.892 1.00 0.27 C ATOM 100 C VAL A 157 6.222 0.379 2.590 1.00 0.21 C ATOM 101 O VAL A 157 5.729 -0.653 2.131 1.00 0.25 O ATOM 102 CB VAL A 157 6.951 1.674 0.511 1.00 0.38 C ATOM 103 CG1 VAL A 157 7.227 0.700 -0.621 1.00 1.05 C ATOM 104 CG2 VAL A 157 5.496 2.105 0.528 1.00 0.91 C ATOM 0 H VAL A 157 8.306 -0.681 1.348 1.00 0.25 H new ATOM 0 HA VAL A 157 7.655 1.971 2.483 1.00 0.27 H new ATOM 0 HB VAL A 157 7.566 2.554 0.323 1.00 0.38 H new ATOM 0 HG11 VAL A 157 6.918 1.145 -1.567 1.00 1.05 H new ATOM 0 HG12 VAL A 157 8.293 0.476 -0.656 1.00 1.05 H new ATOM 0 HG13 VAL A 157 6.668 -0.221 -0.453 1.00 1.05 H new ATOM 0 HG21 VAL A 157 5.223 2.504 -0.449 1.00 0.91 H new ATOM 0 HG22 VAL A 157 4.865 1.247 0.759 1.00 0.91 H new ATOM 0 HG23 VAL A 157 5.353 2.875 1.286 1.00 0.91 H new ATOM 114 N ARG A 158 5.848 0.921 3.735 1.00 0.21 N ATOM 115 CA ARG A 158 4.904 0.290 4.629 1.00 0.21 C ATOM 116 C ARG A 158 3.490 0.591 4.202 1.00 0.21 C ATOM 117 O ARG A 158 3.126 1.737 3.967 1.00 0.32 O ATOM 118 CB ARG A 158 5.150 0.777 6.049 1.00 0.26 C ATOM 119 CG ARG A 158 6.545 0.442 6.553 1.00 0.29 C ATOM 120 CD ARG A 158 6.974 1.355 7.681 1.00 0.49 C ATOM 121 NE ARG A 158 7.285 2.703 7.207 1.00 1.36 N ATOM 122 CZ ARG A 158 8.519 3.201 7.128 1.00 1.81 C ATOM 123 NH1 ARG A 158 9.565 2.471 7.487 1.00 1.70 N ATOM 124 NH2 ARG A 158 8.697 4.436 6.689 1.00 2.87 N ATOM 0 H ARG A 158 6.196 1.819 4.070 1.00 0.21 H new ATOM 0 HA ARG A 158 5.043 -0.791 4.593 1.00 0.21 H new ATOM 0 HB2 ARG A 158 5.004 1.856 6.089 1.00 0.26 H new ATOM 0 HB3 ARG A 158 4.411 0.331 6.715 1.00 0.26 H new ATOM 0 HG2 ARG A 158 6.568 -0.593 6.895 1.00 0.29 H new ATOM 0 HG3 ARG A 158 7.256 0.522 5.731 1.00 0.29 H new ATOM 0 HD2 ARG A 158 6.181 1.407 8.427 1.00 0.49 H new ATOM 0 HD3 ARG A 158 7.849 0.934 8.175 1.00 0.49 H new ATOM 0 HE ARG A 158 6.509 3.299 6.919 1.00 1.36 H new ATOM 0 HH11 ARG A 158 9.430 1.519 7.827 1.00 1.70 H new ATOM 0 HH12 ARG A 158 10.505 2.861 7.423 1.00 1.70 H new ATOM 0 HH21 ARG A 158 7.893 5.000 6.414 1.00 2.87 H new ATOM 0 HH22 ARG A 158 9.638 4.824 6.626 1.00 2.87 H new ATOM 138 N VAL A 159 2.703 -0.446 4.116 1.00 0.20 N ATOM 139 CA VAL A 159 1.359 -0.343 3.591 1.00 0.21 C ATOM 140 C VAL A 159 0.332 -0.785 4.619 1.00 0.23 C ATOM 141 O VAL A 159 0.327 -1.932 5.032 1.00 0.36 O ATOM 142 CB VAL A 159 1.190 -1.219 2.342 1.00 0.28 C ATOM 143 CG1 VAL A 159 -0.092 -0.855 1.627 1.00 0.42 C ATOM 144 CG2 VAL A 159 2.385 -1.089 1.413 1.00 0.35 C ATOM 0 H VAL A 159 2.970 -1.387 4.406 1.00 0.20 H new ATOM 0 HA VAL A 159 1.199 0.705 3.337 1.00 0.21 H new ATOM 0 HB VAL A 159 1.133 -2.261 2.656 1.00 0.28 H new ATOM 0 HG11 VAL A 159 -0.205 -1.481 0.742 1.00 0.42 H new ATOM 0 HG12 VAL A 159 -0.939 -1.014 2.295 1.00 0.42 H new ATOM 0 HG13 VAL A 159 -0.057 0.193 1.329 1.00 0.42 H new ATOM 0 HG21 VAL A 159 2.236 -1.721 0.538 1.00 0.35 H new ATOM 0 HG22 VAL A 159 2.489 -0.051 1.097 1.00 0.35 H new ATOM 0 HG23 VAL A 159 3.289 -1.402 1.936 1.00 0.35 H new ATOM 154 N PHE A 160 -0.544 0.113 5.024 1.00 0.22 N ATOM 155 CA PHE A 160 -1.596 -0.243 5.960 1.00 0.22 C ATOM 156 C PHE A 160 -2.644 -1.121 5.275 1.00 0.24 C ATOM 157 O PHE A 160 -3.460 -0.639 4.494 1.00 0.28 O ATOM 158 CB PHE A 160 -2.257 1.012 6.535 1.00 0.25 C ATOM 159 CG PHE A 160 -1.425 1.745 7.552 1.00 0.30 C ATOM 160 CD1 PHE A 160 -0.195 2.290 7.215 1.00 0.38 C ATOM 161 CD2 PHE A 160 -1.891 1.907 8.846 1.00 0.48 C ATOM 162 CE1 PHE A 160 0.553 2.979 8.150 1.00 0.46 C ATOM 163 CE2 PHE A 160 -1.145 2.592 9.785 1.00 0.58 C ATOM 164 CZ PHE A 160 0.077 3.130 9.436 1.00 0.51 C ATOM 0 H PHE A 160 -0.550 1.088 4.723 1.00 0.22 H new ATOM 0 HA PHE A 160 -1.147 -0.804 6.779 1.00 0.22 H new ATOM 0 HB2 PHE A 160 -2.490 1.693 5.716 1.00 0.25 H new ATOM 0 HB3 PHE A 160 -3.205 0.730 6.994 1.00 0.25 H new ATOM 0 HD1 PHE A 160 0.183 2.174 6.210 1.00 0.38 H new ATOM 0 HD2 PHE A 160 -2.849 1.493 9.124 1.00 0.48 H new ATOM 0 HE1 PHE A 160 1.509 3.399 7.875 1.00 0.46 H new ATOM 0 HE2 PHE A 160 -1.518 2.707 10.792 1.00 0.58 H new ATOM 0 HZ PHE A 160 0.660 3.668 10.169 1.00 0.51 H new ATOM 174 N LEU A 161 -2.571 -2.412 5.558 1.00 0.27 N ATOM 175 CA LEU A 161 -3.548 -3.401 5.131 1.00 0.33 C ATOM 176 C LEU A 161 -4.961 -3.023 5.579 1.00 0.33 C ATOM 177 O LEU A 161 -5.144 -2.360 6.603 1.00 0.37 O ATOM 178 CB LEU A 161 -3.167 -4.723 5.781 1.00 0.49 C ATOM 179 CG LEU A 161 -1.783 -5.243 5.425 1.00 0.72 C ATOM 180 CD1 LEU A 161 -1.349 -6.293 6.427 1.00 1.46 C ATOM 181 CD2 LEU A 161 -1.803 -5.814 4.026 1.00 0.98 C ATOM 0 H LEU A 161 -1.809 -2.812 6.106 1.00 0.27 H new ATOM 0 HA LEU A 161 -3.546 -3.464 4.043 1.00 0.33 H new ATOM 0 HB2 LEU A 161 -3.228 -4.608 6.863 1.00 0.49 H new ATOM 0 HB3 LEU A 161 -3.904 -5.475 5.498 1.00 0.49 H new ATOM 0 HG LEU A 161 -1.066 -4.422 5.459 1.00 0.72 H new ATOM 0 HD11 LEU A 161 -0.357 -6.659 6.164 1.00 1.46 H new ATOM 0 HD12 LEU A 161 -1.321 -5.854 7.424 1.00 1.46 H new ATOM 0 HD13 LEU A 161 -2.057 -7.122 6.415 1.00 1.46 H new ATOM 0 HD21 LEU A 161 -0.811 -6.187 3.771 1.00 0.98 H new ATOM 0 HD22 LEU A 161 -2.522 -6.632 3.977 1.00 0.98 H new ATOM 0 HD23 LEU A 161 -2.091 -5.036 3.319 1.00 0.98 H new ATOM 193 N PRO A 162 -5.974 -3.447 4.814 1.00 0.38 N ATOM 194 CA PRO A 162 -7.380 -3.346 5.221 1.00 0.43 C ATOM 195 C PRO A 162 -7.625 -3.990 6.578 1.00 0.42 C ATOM 196 O PRO A 162 -6.818 -4.799 7.041 1.00 0.40 O ATOM 197 CB PRO A 162 -8.123 -4.116 4.139 1.00 0.49 C ATOM 198 CG PRO A 162 -7.244 -4.032 2.949 1.00 0.50 C ATOM 199 CD PRO A 162 -5.831 -4.026 3.475 1.00 0.46 C ATOM 0 HA PRO A 162 -7.701 -2.309 5.322 1.00 0.43 H new ATOM 0 HB2 PRO A 162 -8.292 -5.151 4.435 1.00 0.49 H new ATOM 0 HB3 PRO A 162 -9.101 -3.677 3.941 1.00 0.49 H new ATOM 0 HG2 PRO A 162 -7.408 -4.878 2.282 1.00 0.50 H new ATOM 0 HG3 PRO A 162 -7.450 -3.129 2.375 1.00 0.50 H new ATOM 0 HD2 PRO A 162 -5.412 -5.031 3.514 1.00 0.46 H new ATOM 0 HD3 PRO A 162 -5.170 -3.429 2.847 1.00 0.46 H new ATOM 207 N ASN A 163 -8.748 -3.630 7.199 1.00 0.51 N ATOM 208 CA ASN A 163 -9.041 -3.996 8.586 1.00 0.54 C ATOM 209 C ASN A 163 -8.062 -3.254 9.492 1.00 0.48 C ATOM 210 O ASN A 163 -7.892 -3.566 10.672 1.00 0.53 O ATOM 211 CB ASN A 163 -8.967 -5.515 8.805 1.00 0.60 C ATOM 212 CG ASN A 163 -9.825 -5.988 9.968 1.00 1.26 C ATOM 213 OD1 ASN A 163 -10.054 -5.261 10.933 1.00 2.08 O ATOM 214 ND2 ASN A 163 -10.312 -7.216 9.876 1.00 1.86 N ATOM 0 H ASN A 163 -9.481 -3.076 6.755 1.00 0.51 H new ATOM 0 HA ASN A 163 -10.063 -3.706 8.829 1.00 0.54 H new ATOM 0 HB2 ASN A 163 -9.285 -6.024 7.895 1.00 0.60 H new ATOM 0 HB3 ASN A 163 -7.931 -5.801 8.985 1.00 0.60 H new ATOM 0 HD21 ASN A 163 -10.899 -7.589 10.622 1.00 1.86 H new ATOM 0 HD22 ASN A 163 -10.100 -7.789 9.059 1.00 1.86 H new ATOM 221 N LYS A 164 -7.422 -2.258 8.884 1.00 0.48 N ATOM 222 CA LYS A 164 -6.513 -1.336 9.548 1.00 0.52 C ATOM 223 C LYS A 164 -5.286 -2.045 10.120 1.00 0.44 C ATOM 224 O LYS A 164 -4.820 -1.724 11.216 1.00 0.52 O ATOM 225 CB LYS A 164 -7.247 -0.539 10.618 1.00 0.69 C ATOM 226 CG LYS A 164 -8.578 -0.019 10.116 1.00 0.88 C ATOM 227 CD LYS A 164 -8.437 0.907 8.916 1.00 1.22 C ATOM 228 CE LYS A 164 -7.687 2.181 9.249 1.00 2.04 C ATOM 229 NZ LYS A 164 -7.917 3.232 8.222 1.00 2.74 N ATOM 0 H LYS A 164 -7.527 -2.067 7.887 1.00 0.48 H new ATOM 0 HA LYS A 164 -6.144 -0.639 8.795 1.00 0.52 H new ATOM 0 HB2 LYS A 164 -7.409 -1.168 11.493 1.00 0.69 H new ATOM 0 HB3 LYS A 164 -6.627 0.298 10.938 1.00 0.69 H new ATOM 0 HG2 LYS A 164 -9.213 -0.862 9.845 1.00 0.88 H new ATOM 0 HG3 LYS A 164 -9.082 0.514 10.922 1.00 0.88 H new ATOM 0 HD2 LYS A 164 -7.916 0.382 8.115 1.00 1.22 H new ATOM 0 HD3 LYS A 164 -9.428 1.161 8.539 1.00 1.22 H new ATOM 0 HE2 LYS A 164 -8.006 2.548 10.225 1.00 2.04 H new ATOM 0 HE3 LYS A 164 -6.620 1.968 9.321 1.00 2.04 H new ATOM 0 HZ1 LYS A 164 -7.579 4.148 8.581 1.00 2.74 H new ATOM 0 HZ2 LYS A 164 -7.399 2.988 7.354 1.00 2.74 H new ATOM 0 HZ3 LYS A 164 -8.934 3.296 8.013 1.00 2.74 H new ATOM 243 N GLN A 165 -4.761 -3.002 9.362 1.00 0.36 N ATOM 244 CA GLN A 165 -3.530 -3.687 9.724 1.00 0.37 C ATOM 245 C GLN A 165 -2.396 -3.007 8.977 1.00 0.33 C ATOM 246 O GLN A 165 -2.623 -2.016 8.288 1.00 0.38 O ATOM 247 CB GLN A 165 -3.610 -5.171 9.333 1.00 0.42 C ATOM 248 CG GLN A 165 -5.020 -5.729 9.361 1.00 0.50 C ATOM 249 CD GLN A 165 -5.534 -6.014 10.762 1.00 0.66 C ATOM 250 OE1 GLN A 165 -5.119 -5.387 11.737 1.00 1.33 O ATOM 251 NE2 GLN A 165 -6.464 -6.951 10.867 1.00 1.33 N ATOM 0 H GLN A 165 -5.175 -3.321 8.486 1.00 0.36 H new ATOM 0 HA GLN A 165 -3.366 -3.636 10.800 1.00 0.37 H new ATOM 0 HB2 GLN A 165 -3.198 -5.298 8.332 1.00 0.42 H new ATOM 0 HB3 GLN A 165 -2.985 -5.751 10.011 1.00 0.42 H new ATOM 0 HG2 GLN A 165 -5.691 -5.022 8.874 1.00 0.50 H new ATOM 0 HG3 GLN A 165 -5.049 -6.650 8.778 1.00 0.50 H new ATOM 0 HE21 GLN A 165 -6.782 -7.449 10.036 1.00 1.33 H new ATOM 0 HE22 GLN A 165 -6.862 -7.175 11.779 1.00 1.33 H new ATOM 260 N ARG A 166 -1.185 -3.501 9.094 1.00 0.34 N ATOM 261 CA ARG A 166 -0.100 -2.888 8.365 1.00 0.32 C ATOM 262 C ARG A 166 0.924 -3.913 7.919 1.00 0.41 C ATOM 263 O ARG A 166 1.422 -4.710 8.714 1.00 0.79 O ATOM 264 CB ARG A 166 0.562 -1.797 9.201 1.00 0.40 C ATOM 265 CG ARG A 166 1.388 -0.841 8.395 1.00 0.95 C ATOM 266 CD ARG A 166 2.320 -0.056 9.290 1.00 0.96 C ATOM 267 NE ARG A 166 3.226 -0.930 10.036 1.00 1.54 N ATOM 268 CZ ARG A 166 4.239 -0.499 10.785 1.00 1.82 C ATOM 269 NH1 ARG A 166 4.467 0.801 10.925 1.00 1.62 N ATOM 270 NH2 ARG A 166 5.018 -1.373 11.411 1.00 2.49 N ATOM 0 H ARG A 166 -0.930 -4.303 9.670 1.00 0.34 H new ATOM 0 HA ARG A 166 -0.523 -2.433 7.469 1.00 0.32 H new ATOM 0 HB2 ARG A 166 -0.210 -1.239 9.732 1.00 0.40 H new ATOM 0 HB3 ARG A 166 1.195 -2.263 9.956 1.00 0.40 H new ATOM 0 HG2 ARG A 166 1.966 -1.389 7.651 1.00 0.95 H new ATOM 0 HG3 ARG A 166 0.736 -0.157 7.852 1.00 0.95 H new ATOM 0 HD2 ARG A 166 2.902 0.640 8.686 1.00 0.96 H new ATOM 0 HD3 ARG A 166 1.734 0.541 9.989 1.00 0.96 H new ATOM 0 HE ARG A 166 3.071 -1.937 9.978 1.00 1.54 H new ATOM 0 HH11 ARG A 166 3.864 1.478 10.457 1.00 1.62 H new ATOM 0 HH12 ARG A 166 5.245 1.123 11.501 1.00 1.62 H new ATOM 0 HH21 ARG A 166 4.840 -2.373 11.318 1.00 2.49 H new ATOM 0 HH22 ARG A 166 5.794 -1.044 11.985 1.00 2.49 H new ATOM 284 N THR A 167 1.206 -3.883 6.632 1.00 0.25 N ATOM 285 CA THR A 167 2.220 -4.709 6.023 1.00 0.27 C ATOM 286 C THR A 167 3.377 -3.828 5.617 1.00 0.25 C ATOM 287 O THR A 167 3.323 -2.606 5.775 1.00 0.31 O ATOM 288 CB THR A 167 1.683 -5.426 4.756 1.00 0.35 C ATOM 289 OG1 THR A 167 2.596 -6.433 4.318 1.00 0.50 O ATOM 290 CG2 THR A 167 1.478 -4.439 3.620 1.00 0.52 C ATOM 0 H THR A 167 0.726 -3.272 5.971 1.00 0.25 H new ATOM 0 HA THR A 167 2.528 -5.465 6.745 1.00 0.27 H new ATOM 0 HB THR A 167 0.730 -5.882 5.023 1.00 0.35 H new ATOM 0 HG1 THR A 167 2.238 -6.874 3.519 1.00 0.50 H new ATOM 0 HG21 THR A 167 1.101 -4.966 2.744 1.00 0.52 H new ATOM 0 HG22 THR A 167 0.758 -3.679 3.924 1.00 0.52 H new ATOM 0 HG23 THR A 167 2.427 -3.962 3.376 1.00 0.52 H new ATOM 298 N VAL A 168 4.420 -4.438 5.105 1.00 0.25 N ATOM 299 CA VAL A 168 5.471 -3.692 4.470 1.00 0.27 C ATOM 300 C VAL A 168 5.946 -4.460 3.260 1.00 0.25 C ATOM 301 O VAL A 168 6.295 -5.637 3.357 1.00 0.30 O ATOM 302 CB VAL A 168 6.687 -3.467 5.386 1.00 0.39 C ATOM 303 CG1 VAL A 168 7.482 -2.250 4.945 1.00 0.73 C ATOM 304 CG2 VAL A 168 6.284 -3.348 6.851 1.00 0.88 C ATOM 0 H VAL A 168 4.560 -5.448 5.118 1.00 0.25 H new ATOM 0 HA VAL A 168 5.058 -2.717 4.209 1.00 0.27 H new ATOM 0 HB VAL A 168 7.324 -4.347 5.295 1.00 0.39 H new ATOM 0 HG11 VAL A 168 8.336 -2.113 5.609 1.00 0.73 H new ATOM 0 HG12 VAL A 168 7.836 -2.397 3.924 1.00 0.73 H new ATOM 0 HG13 VAL A 168 6.846 -1.366 4.985 1.00 0.73 H new ATOM 0 HG21 VAL A 168 7.173 -3.190 7.461 1.00 0.88 H new ATOM 0 HG22 VAL A 168 5.605 -2.504 6.974 1.00 0.88 H new ATOM 0 HG23 VAL A 168 5.785 -4.264 7.167 1.00 0.88 H new ATOM 314 N VAL A 169 5.943 -3.801 2.132 1.00 0.26 N ATOM 315 CA VAL A 169 6.617 -4.326 0.960 1.00 0.26 C ATOM 316 C VAL A 169 7.881 -3.527 0.687 1.00 0.28 C ATOM 317 O VAL A 169 7.853 -2.295 0.657 1.00 0.29 O ATOM 318 CB VAL A 169 5.735 -4.328 -0.304 1.00 0.32 C ATOM 319 CG1 VAL A 169 4.680 -5.412 -0.209 1.00 1.17 C ATOM 320 CG2 VAL A 169 5.088 -2.976 -0.543 1.00 1.31 C ATOM 0 H VAL A 169 5.484 -2.901 1.993 1.00 0.26 H new ATOM 0 HA VAL A 169 6.858 -5.365 1.185 1.00 0.26 H new ATOM 0 HB VAL A 169 6.382 -4.536 -1.157 1.00 0.32 H new ATOM 0 HG11 VAL A 169 4.065 -5.401 -1.109 1.00 1.17 H new ATOM 0 HG12 VAL A 169 5.164 -6.384 -0.112 1.00 1.17 H new ATOM 0 HG13 VAL A 169 4.051 -5.232 0.663 1.00 1.17 H new ATOM 0 HG21 VAL A 169 4.475 -3.020 -1.443 1.00 1.31 H new ATOM 0 HG22 VAL A 169 4.461 -2.717 0.310 1.00 1.31 H new ATOM 0 HG23 VAL A 169 5.862 -2.219 -0.668 1.00 1.31 H new ATOM 330 N PRO A 170 9.023 -4.213 0.548 1.00 0.31 N ATOM 331 CA PRO A 170 10.250 -3.588 0.074 1.00 0.32 C ATOM 332 C PRO A 170 9.991 -2.814 -1.209 1.00 0.28 C ATOM 333 O PRO A 170 9.184 -3.242 -2.038 1.00 0.33 O ATOM 334 CB PRO A 170 11.174 -4.774 -0.192 1.00 0.40 C ATOM 335 CG PRO A 170 10.703 -5.835 0.739 1.00 0.59 C ATOM 336 CD PRO A 170 9.219 -5.632 0.894 1.00 0.39 C ATOM 0 HA PRO A 170 10.668 -2.874 0.784 1.00 0.32 H new ATOM 0 HB2 PRO A 170 11.110 -5.101 -1.230 1.00 0.40 H new ATOM 0 HB3 PRO A 170 12.216 -4.515 -0.003 1.00 0.40 H new ATOM 0 HG2 PRO A 170 10.920 -6.826 0.341 1.00 0.59 H new ATOM 0 HG3 PRO A 170 11.208 -5.760 1.702 1.00 0.59 H new ATOM 0 HD2 PRO A 170 8.654 -6.288 0.232 1.00 0.39 H new ATOM 0 HD3 PRO A 170 8.890 -5.846 1.911 1.00 0.39 H new ATOM 344 N ALA A 171 10.644 -1.668 -1.356 1.00 0.24 N ATOM 345 CA ALA A 171 10.439 -0.822 -2.522 1.00 0.21 C ATOM 346 C ALA A 171 10.908 -1.534 -3.775 1.00 0.24 C ATOM 347 O ALA A 171 12.070 -1.425 -4.176 1.00 0.35 O ATOM 348 CB ALA A 171 11.160 0.503 -2.372 1.00 0.21 C ATOM 0 H ALA A 171 11.319 -1.305 -0.683 1.00 0.24 H new ATOM 0 HA ALA A 171 9.372 -0.618 -2.607 1.00 0.21 H new ATOM 0 HB1 ALA A 171 10.988 1.113 -3.259 1.00 0.21 H new ATOM 0 HB2 ALA A 171 10.782 1.025 -1.493 1.00 0.21 H new ATOM 0 HB3 ALA A 171 12.229 0.324 -2.256 1.00 0.21 H new ATOM 354 N ARG A 172 10.000 -2.281 -4.365 1.00 0.26 N ATOM 355 CA ARG A 172 10.280 -3.007 -5.576 1.00 0.29 C ATOM 356 C ARG A 172 10.415 -2.023 -6.729 1.00 0.27 C ATOM 357 O ARG A 172 9.442 -1.389 -7.135 1.00 0.27 O ATOM 358 CB ARG A 172 9.152 -4.007 -5.834 1.00 0.33 C ATOM 359 CG ARG A 172 8.996 -5.062 -4.750 1.00 0.46 C ATOM 360 CD ARG A 172 10.273 -5.852 -4.527 1.00 0.56 C ATOM 361 NE ARG A 172 10.077 -6.933 -3.562 1.00 1.33 N ATOM 362 CZ ARG A 172 11.017 -7.378 -2.731 1.00 1.81 C ATOM 363 NH1 ARG A 172 12.223 -6.822 -2.713 1.00 1.58 N ATOM 364 NH2 ARG A 172 10.746 -8.382 -1.906 1.00 2.81 N ATOM 0 H ARG A 172 9.049 -2.399 -4.016 1.00 0.26 H new ATOM 0 HA ARG A 172 11.216 -3.558 -5.482 1.00 0.29 H new ATOM 0 HB2 ARG A 172 8.213 -3.462 -5.933 1.00 0.33 H new ATOM 0 HB3 ARG A 172 9.333 -4.505 -6.787 1.00 0.33 H new ATOM 0 HG2 ARG A 172 8.702 -4.581 -3.817 1.00 0.46 H new ATOM 0 HG3 ARG A 172 8.192 -5.745 -5.024 1.00 0.46 H new ATOM 0 HD2 ARG A 172 10.614 -6.268 -5.475 1.00 0.56 H new ATOM 0 HD3 ARG A 172 11.057 -5.184 -4.171 1.00 0.56 H new ATOM 0 HE ARG A 172 9.159 -7.376 -3.523 1.00 1.33 H new ATOM 0 HH11 ARG A 172 12.436 -6.046 -3.340 1.00 1.58 H new ATOM 0 HH12 ARG A 172 12.936 -7.171 -2.072 1.00 1.58 H new ATOM 0 HH21 ARG A 172 9.820 -8.810 -1.910 1.00 2.81 H new ATOM 0 HH22 ARG A 172 11.464 -8.726 -1.268 1.00 2.81 H new ATOM 378 N CYS A 173 11.626 -1.882 -7.238 1.00 0.30 N ATOM 379 CA CYS A 173 11.902 -0.904 -8.274 1.00 0.32 C ATOM 380 C CYS A 173 11.522 -1.443 -9.644 1.00 0.31 C ATOM 381 O CYS A 173 11.945 -2.533 -10.035 1.00 0.41 O ATOM 382 CB CYS A 173 13.375 -0.498 -8.233 1.00 0.40 C ATOM 383 SG CYS A 173 14.524 -1.888 -8.114 1.00 1.44 S ATOM 0 H CYS A 173 12.434 -2.433 -6.950 1.00 0.30 H new ATOM 0 HA CYS A 173 11.294 -0.019 -8.088 1.00 0.32 H new ATOM 0 HB2 CYS A 173 13.607 0.075 -9.131 1.00 0.40 H new ATOM 0 HB3 CYS A 173 13.534 0.164 -7.382 1.00 0.40 H new ATOM 0 HG CYS A 173 15.744 -1.441 -8.088 1.00 1.44 H new ATOM 389 N GLY A 174 10.708 -0.684 -10.362 1.00 0.30 N ATOM 390 CA GLY A 174 10.273 -1.109 -11.671 1.00 0.33 C ATOM 391 C GLY A 174 8.972 -1.871 -11.613 1.00 0.30 C ATOM 392 O GLY A 174 8.666 -2.662 -12.508 1.00 0.43 O ATOM 0 H GLY A 174 10.342 0.219 -10.059 1.00 0.30 H new ATOM 0 HA2 GLY A 174 10.155 -0.237 -12.315 1.00 0.33 H new ATOM 0 HA3 GLY A 174 11.041 -1.737 -12.123 1.00 0.33 H new ATOM 396 N VAL A 175 8.213 -1.652 -10.550 1.00 0.25 N ATOM 397 CA VAL A 175 6.939 -2.322 -10.383 1.00 0.28 C ATOM 398 C VAL A 175 5.899 -1.346 -9.857 1.00 0.26 C ATOM 399 O VAL A 175 6.232 -0.344 -9.216 1.00 0.35 O ATOM 400 CB VAL A 175 7.054 -3.536 -9.434 1.00 0.35 C ATOM 401 CG1 VAL A 175 6.904 -3.122 -7.991 1.00 0.69 C ATOM 402 CG2 VAL A 175 6.023 -4.594 -9.760 1.00 0.97 C ATOM 0 H VAL A 175 8.460 -1.015 -9.792 1.00 0.25 H new ATOM 0 HA VAL A 175 6.627 -2.691 -11.360 1.00 0.28 H new ATOM 0 HB VAL A 175 8.049 -3.956 -9.582 1.00 0.35 H new ATOM 0 HG11 VAL A 175 6.990 -3.999 -7.350 1.00 0.69 H new ATOM 0 HG12 VAL A 175 7.686 -2.407 -7.734 1.00 0.69 H new ATOM 0 HG13 VAL A 175 5.928 -2.660 -7.845 1.00 0.69 H new ATOM 0 HG21 VAL A 175 6.133 -5.433 -9.073 1.00 0.97 H new ATOM 0 HG22 VAL A 175 5.023 -4.171 -9.659 1.00 0.97 H new ATOM 0 HG23 VAL A 175 6.169 -4.941 -10.783 1.00 0.97 H new ATOM 412 N THR A 176 4.645 -1.633 -10.139 1.00 0.22 N ATOM 413 CA THR A 176 3.564 -0.788 -9.694 1.00 0.25 C ATOM 414 C THR A 176 3.126 -1.170 -8.290 1.00 0.23 C ATOM 415 O THR A 176 3.395 -2.295 -7.827 1.00 0.25 O ATOM 416 CB THR A 176 2.359 -0.887 -10.644 1.00 0.31 C ATOM 417 OG1 THR A 176 1.994 -2.261 -10.820 1.00 0.47 O ATOM 418 CG2 THR A 176 2.674 -0.265 -11.995 1.00 0.40 C ATOM 0 H THR A 176 4.352 -2.449 -10.677 1.00 0.22 H new ATOM 0 HA THR A 176 3.931 0.238 -9.691 1.00 0.25 H new ATOM 0 HB THR A 176 1.528 -0.339 -10.200 1.00 0.31 H new ATOM 0 HG1 THR A 176 1.225 -2.320 -11.424 1.00 0.47 H new ATOM 0 HG21 THR A 176 1.804 -0.349 -12.646 1.00 0.40 H new ATOM 0 HG22 THR A 176 2.926 0.787 -11.861 1.00 0.40 H new ATOM 0 HG23 THR A 176 3.518 -0.786 -12.448 1.00 0.40 H new ATOM 426 N VAL A 177 2.472 -0.236 -7.609 1.00 0.25 N ATOM 427 CA VAL A 177 1.869 -0.514 -6.319 1.00 0.27 C ATOM 428 C VAL A 177 1.109 -1.824 -6.395 1.00 0.24 C ATOM 429 O VAL A 177 1.336 -2.724 -5.587 1.00 0.28 O ATOM 430 CB VAL A 177 0.899 0.611 -5.907 1.00 0.34 C ATOM 431 CG1 VAL A 177 0.347 0.377 -4.510 1.00 1.20 C ATOM 432 CG2 VAL A 177 1.580 1.962 -5.989 1.00 1.39 C ATOM 0 H VAL A 177 2.348 0.723 -7.934 1.00 0.25 H new ATOM 0 HA VAL A 177 2.662 -0.578 -5.574 1.00 0.27 H new ATOM 0 HB VAL A 177 0.062 0.602 -6.606 1.00 0.34 H new ATOM 0 HG11 VAL A 177 -0.334 1.187 -4.247 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -0.190 -0.571 -4.485 1.00 1.20 H new ATOM 0 HG13 VAL A 177 1.169 0.347 -3.794 1.00 1.20 H new ATOM 0 HG21 VAL A 177 0.878 2.742 -5.694 1.00 1.39 H new ATOM 0 HG22 VAL A 177 2.441 1.977 -5.320 1.00 1.39 H new ATOM 0 HG23 VAL A 177 1.912 2.141 -7.012 1.00 1.39 H new ATOM 442 N ARG A 178 0.280 -1.927 -7.434 1.00 0.23 N ATOM 443 CA ARG A 178 -0.608 -3.057 -7.653 1.00 0.26 C ATOM 444 C ARG A 178 0.043 -4.398 -7.355 1.00 0.23 C ATOM 445 O ARG A 178 -0.463 -5.151 -6.545 1.00 0.33 O ATOM 446 CB ARG A 178 -1.109 -3.023 -9.097 1.00 0.39 C ATOM 447 CG ARG A 178 -2.017 -4.178 -9.471 1.00 0.85 C ATOM 448 CD ARG A 178 -3.185 -4.297 -8.512 1.00 1.65 C ATOM 449 NE ARG A 178 -4.145 -5.324 -8.923 1.00 2.02 N ATOM 450 CZ ARG A 178 -5.458 -5.249 -8.687 1.00 2.82 C ATOM 451 NH1 ARG A 178 -5.954 -4.214 -8.018 1.00 3.53 N ATOM 452 NH2 ARG A 178 -6.270 -6.207 -9.119 1.00 3.28 N ATOM 0 H ARG A 178 0.209 -1.211 -8.157 1.00 0.23 H new ATOM 0 HA ARG A 178 -1.439 -2.960 -6.954 1.00 0.26 H new ATOM 0 HB2 ARG A 178 -1.644 -2.088 -9.261 1.00 0.39 H new ATOM 0 HB3 ARG A 178 -0.249 -3.020 -9.767 1.00 0.39 H new ATOM 0 HG2 ARG A 178 -2.390 -4.036 -10.485 1.00 0.85 H new ATOM 0 HG3 ARG A 178 -1.446 -5.107 -9.469 1.00 0.85 H new ATOM 0 HD2 ARG A 178 -2.811 -4.532 -7.516 1.00 1.65 H new ATOM 0 HD3 ARG A 178 -3.694 -3.335 -8.443 1.00 1.65 H new ATOM 0 HE ARG A 178 -3.791 -6.143 -9.417 1.00 2.02 H new ATOM 0 HH11 ARG A 178 -5.333 -3.477 -7.685 1.00 3.53 H new ATOM 0 HH12 ARG A 178 -6.956 -4.156 -7.838 1.00 3.53 H new ATOM 0 HH21 ARG A 178 -5.892 -7.003 -9.633 1.00 3.28 H new ATOM 0 HH22 ARG A 178 -7.272 -6.147 -8.937 1.00 3.28 H new ATOM 466 N ASP A 179 1.155 -4.684 -7.997 1.00 0.20 N ATOM 467 CA ASP A 179 1.813 -5.978 -7.848 1.00 0.19 C ATOM 468 C ASP A 179 2.367 -6.138 -6.442 1.00 0.17 C ATOM 469 O ASP A 179 2.146 -7.158 -5.777 1.00 0.18 O ATOM 470 CB ASP A 179 2.952 -6.127 -8.859 1.00 0.23 C ATOM 471 CG ASP A 179 3.642 -7.481 -8.772 1.00 0.32 C ATOM 472 OD1 ASP A 179 3.282 -8.393 -9.549 1.00 1.12 O ATOM 473 OD2 ASP A 179 4.550 -7.643 -7.927 1.00 1.19 O ATOM 0 H ASP A 179 1.629 -4.040 -8.631 1.00 0.20 H new ATOM 0 HA ASP A 179 1.068 -6.752 -8.032 1.00 0.19 H new ATOM 0 HB2 ASP A 179 2.559 -5.988 -9.866 1.00 0.23 H new ATOM 0 HB3 ASP A 179 3.686 -5.339 -8.692 1.00 0.23 H new ATOM 478 N SER A 180 3.061 -5.120 -5.972 1.00 0.17 N ATOM 479 CA SER A 180 3.741 -5.232 -4.695 1.00 0.18 C ATOM 480 C SER A 180 2.726 -5.413 -3.573 1.00 0.17 C ATOM 481 O SER A 180 2.850 -6.324 -2.743 1.00 0.19 O ATOM 482 CB SER A 180 4.627 -4.014 -4.435 1.00 0.22 C ATOM 483 OG SER A 180 5.590 -4.294 -3.435 1.00 1.34 O ATOM 0 H SER A 180 3.169 -4.222 -6.444 1.00 0.17 H new ATOM 0 HA SER A 180 4.386 -6.110 -4.726 1.00 0.18 H new ATOM 0 HB2 SER A 180 5.129 -3.721 -5.357 1.00 0.22 H new ATOM 0 HB3 SER A 180 4.010 -3.170 -4.126 1.00 0.22 H new ATOM 0 HG SER A 180 6.447 -3.890 -3.684 1.00 1.34 H new ATOM 489 N LEU A 181 1.691 -4.591 -3.556 1.00 0.17 N ATOM 490 CA LEU A 181 0.759 -4.661 -2.471 1.00 0.18 C ATOM 491 C LEU A 181 -0.430 -5.585 -2.777 1.00 0.18 C ATOM 492 O LEU A 181 -1.274 -5.794 -1.917 1.00 0.20 O ATOM 493 CB LEU A 181 0.355 -3.251 -1.995 1.00 0.24 C ATOM 494 CG LEU A 181 -0.825 -2.529 -2.655 1.00 0.35 C ATOM 495 CD1 LEU A 181 -1.077 -2.972 -4.072 1.00 1.08 C ATOM 496 CD2 LEU A 181 -2.063 -2.679 -1.803 1.00 0.96 C ATOM 0 H LEU A 181 1.487 -3.888 -4.267 1.00 0.17 H new ATOM 0 HA LEU A 181 1.261 -5.133 -1.626 1.00 0.18 H new ATOM 0 HB2 LEU A 181 0.139 -3.318 -0.929 1.00 0.24 H new ATOM 0 HB3 LEU A 181 1.229 -2.609 -2.103 1.00 0.24 H new ATOM 0 HG LEU A 181 -0.560 -1.474 -2.721 1.00 0.35 H new ATOM 0 HD11 LEU A 181 -1.925 -2.422 -4.480 1.00 1.08 H new ATOM 0 HD12 LEU A 181 -0.192 -2.776 -4.677 1.00 1.08 H new ATOM 0 HD13 LEU A 181 -1.296 -4.040 -4.086 1.00 1.08 H new ATOM 0 HD21 LEU A 181 -2.897 -2.163 -2.279 1.00 0.96 H new ATOM 0 HD22 LEU A 181 -2.304 -3.736 -1.695 1.00 0.96 H new ATOM 0 HD23 LEU A 181 -1.882 -2.246 -0.819 1.00 0.96 H new ATOM 508 N LYS A 182 -0.508 -6.164 -3.985 1.00 0.18 N ATOM 509 CA LYS A 182 -1.475 -7.241 -4.190 1.00 0.22 C ATOM 510 C LYS A 182 -0.985 -8.441 -3.405 1.00 0.22 C ATOM 511 O LYS A 182 -1.772 -9.232 -2.889 1.00 0.25 O ATOM 512 CB LYS A 182 -1.671 -7.595 -5.668 1.00 0.32 C ATOM 513 CG LYS A 182 -0.459 -8.230 -6.312 1.00 0.75 C ATOM 514 CD LYS A 182 -0.586 -8.314 -7.824 1.00 0.76 C ATOM 515 CE LYS A 182 -1.699 -9.243 -8.261 1.00 0.80 C ATOM 516 NZ LYS A 182 -1.467 -10.640 -7.817 1.00 1.15 N ATOM 0 H LYS A 182 0.059 -5.917 -4.796 1.00 0.18 H new ATOM 0 HA LYS A 182 -2.454 -6.914 -3.840 1.00 0.22 H new ATOM 0 HB2 LYS A 182 -2.517 -8.276 -5.759 1.00 0.32 H new ATOM 0 HB3 LYS A 182 -1.930 -6.690 -6.217 1.00 0.32 H new ATOM 0 HG2 LYS A 182 0.430 -7.653 -6.056 1.00 0.75 H new ATOM 0 HG3 LYS A 182 -0.317 -9.231 -5.905 1.00 0.75 H new ATOM 0 HD2 LYS A 182 -0.770 -7.318 -8.226 1.00 0.76 H new ATOM 0 HD3 LYS A 182 0.358 -8.659 -8.246 1.00 0.76 H new ATOM 0 HE2 LYS A 182 -2.647 -8.887 -7.857 1.00 0.80 H new ATOM 0 HE3 LYS A 182 -1.786 -9.218 -9.347 1.00 0.80 H new ATOM 0 HZ1 LYS A 182 -2.123 -11.276 -8.314 1.00 1.15 H new ATOM 0 HZ2 LYS A 182 -0.488 -10.915 -8.033 1.00 1.15 H new ATOM 0 HZ3 LYS A 182 -1.628 -10.710 -6.792 1.00 1.15 H new ATOM 530 N LYS A 183 0.340 -8.543 -3.297 1.00 0.22 N ATOM 531 CA LYS A 183 0.951 -9.481 -2.376 1.00 0.25 C ATOM 532 C LYS A 183 0.627 -9.069 -0.943 1.00 0.23 C ATOM 533 O LYS A 183 0.319 -9.914 -0.109 1.00 0.26 O ATOM 534 CB LYS A 183 2.464 -9.560 -2.601 1.00 0.33 C ATOM 535 CG LYS A 183 3.197 -10.376 -1.545 1.00 0.40 C ATOM 536 CD LYS A 183 3.850 -9.481 -0.509 1.00 1.18 C ATOM 537 CE LYS A 183 5.366 -9.631 -0.505 1.00 1.31 C ATOM 538 NZ LYS A 183 5.972 -9.354 -1.838 1.00 1.80 N ATOM 0 H LYS A 183 1.003 -7.986 -3.837 1.00 0.22 H new ATOM 0 HA LYS A 183 0.544 -10.476 -2.556 1.00 0.25 H new ATOM 0 HB2 LYS A 183 2.654 -9.996 -3.582 1.00 0.33 H new ATOM 0 HB3 LYS A 183 2.874 -8.550 -2.616 1.00 0.33 H new ATOM 0 HG2 LYS A 183 2.497 -11.052 -1.054 1.00 0.40 H new ATOM 0 HG3 LYS A 183 3.956 -10.995 -2.023 1.00 0.40 H new ATOM 0 HD2 LYS A 183 3.588 -8.442 -0.710 1.00 1.18 H new ATOM 0 HD3 LYS A 183 3.458 -9.723 0.479 1.00 1.18 H new ATOM 0 HE2 LYS A 183 5.793 -8.951 0.233 1.00 1.31 H new ATOM 0 HE3 LYS A 183 5.627 -10.643 -0.195 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 6.969 -9.086 -1.717 1.00 1.80 H new ATOM 0 HZ2 LYS A 183 5.912 -10.207 -2.430 1.00 1.80 H new ATOM 0 HZ3 LYS A 183 5.458 -8.576 -2.298 1.00 1.80 H new ATOM 552 N ALA A 184 0.692 -7.764 -0.668 1.00 0.23 N ATOM 553 CA ALA A 184 0.286 -7.226 0.636 1.00 0.26 C ATOM 554 C ALA A 184 -1.105 -7.732 1.029 1.00 0.25 C ATOM 555 O ALA A 184 -1.273 -8.334 2.091 1.00 0.29 O ATOM 556 CB ALA A 184 0.308 -5.704 0.604 1.00 0.30 C ATOM 0 H ALA A 184 1.021 -7.060 -1.329 1.00 0.23 H new ATOM 0 HA ALA A 184 0.996 -7.574 1.387 1.00 0.26 H new ATOM 0 HB1 ALA A 184 0.005 -5.315 1.576 1.00 0.30 H new ATOM 0 HB2 ALA A 184 1.316 -5.359 0.373 1.00 0.30 H new ATOM 0 HB3 ALA A 184 -0.382 -5.346 -0.161 1.00 0.30 H new ATOM 562 N LEU A 185 -2.091 -7.496 0.162 1.00 0.23 N ATOM 563 CA LEU A 185 -3.452 -7.990 0.383 1.00 0.26 C ATOM 564 C LEU A 185 -3.452 -9.493 0.624 1.00 0.24 C ATOM 565 O LEU A 185 -3.995 -9.970 1.620 1.00 0.27 O ATOM 566 CB LEU A 185 -4.358 -7.683 -0.816 1.00 0.31 C ATOM 567 CG LEU A 185 -5.024 -6.300 -0.829 1.00 0.50 C ATOM 568 CD1 LEU A 185 -5.739 -6.026 0.476 1.00 1.46 C ATOM 569 CD2 LEU A 185 -4.023 -5.209 -1.118 1.00 1.11 C ATOM 0 H LEU A 185 -1.973 -6.965 -0.701 1.00 0.23 H new ATOM 0 HA LEU A 185 -3.837 -7.478 1.265 1.00 0.26 H new ATOM 0 HB2 LEU A 185 -3.768 -7.787 -1.726 1.00 0.31 H new ATOM 0 HB3 LEU A 185 -5.141 -8.440 -0.856 1.00 0.31 H new ATOM 0 HG LEU A 185 -5.762 -6.304 -1.631 1.00 0.50 H new ATOM 0 HD11 LEU A 185 -6.201 -5.040 0.438 1.00 1.46 H new ATOM 0 HD12 LEU A 185 -6.509 -6.781 0.635 1.00 1.46 H new ATOM 0 HD13 LEU A 185 -5.023 -6.060 1.297 1.00 1.46 H new ATOM 0 HD21 LEU A 185 -4.528 -4.243 -1.120 1.00 1.11 H new ATOM 0 HD22 LEU A 185 -3.249 -5.212 -0.350 1.00 1.11 H new ATOM 0 HD23 LEU A 185 -3.567 -5.382 -2.093 1.00 1.11 H new ATOM 581 N MET A 186 -2.815 -10.225 -0.282 1.00 0.22 N ATOM 582 CA MET A 186 -2.812 -11.683 -0.238 1.00 0.26 C ATOM 583 C MET A 186 -2.154 -12.224 1.027 1.00 0.29 C ATOM 584 O MET A 186 -2.467 -13.329 1.465 1.00 0.34 O ATOM 585 CB MET A 186 -2.109 -12.247 -1.471 1.00 0.30 C ATOM 586 CG MET A 186 -2.935 -12.175 -2.748 1.00 0.35 C ATOM 587 SD MET A 186 -3.903 -13.674 -3.056 1.00 0.98 S ATOM 588 CE MET A 186 -5.064 -13.658 -1.690 1.00 1.45 C ATOM 0 H MET A 186 -2.290 -9.829 -1.062 1.00 0.22 H new ATOM 0 HA MET A 186 -3.853 -12.005 -0.229 1.00 0.26 H new ATOM 0 HB2 MET A 186 -1.176 -11.704 -1.624 1.00 0.30 H new ATOM 0 HB3 MET A 186 -1.845 -13.287 -1.281 1.00 0.30 H new ATOM 0 HG2 MET A 186 -3.609 -11.320 -2.689 1.00 0.35 H new ATOM 0 HG3 MET A 186 -2.270 -11.999 -3.594 1.00 0.35 H new ATOM 0 HE1 MET A 186 -5.847 -14.394 -1.870 1.00 1.45 H new ATOM 0 HE2 MET A 186 -4.541 -13.902 -0.765 1.00 1.45 H new ATOM 0 HE3 MET A 186 -5.510 -12.667 -1.603 1.00 1.45 H new ATOM 598 N MET A 187 -1.260 -11.447 1.623 1.00 0.30 N ATOM 599 CA MET A 187 -0.563 -11.887 2.824 1.00 0.37 C ATOM 600 C MET A 187 -1.465 -11.736 4.041 1.00 0.40 C ATOM 601 O MET A 187 -1.377 -12.513 4.991 1.00 0.53 O ATOM 602 CB MET A 187 0.750 -11.121 3.016 1.00 0.44 C ATOM 603 CG MET A 187 1.808 -11.458 1.973 1.00 0.49 C ATOM 604 SD MET A 187 2.202 -13.217 1.928 1.00 0.72 S ATOM 605 CE MET A 187 3.287 -13.281 0.504 1.00 0.85 C ATOM 0 H MET A 187 -1.001 -10.515 1.298 1.00 0.30 H new ATOM 0 HA MET A 187 -0.313 -12.941 2.707 1.00 0.37 H new ATOM 0 HB2 MET A 187 0.545 -10.051 2.982 1.00 0.44 H new ATOM 0 HB3 MET A 187 1.147 -11.338 4.008 1.00 0.44 H new ATOM 0 HG2 MET A 187 1.457 -11.143 0.990 1.00 0.49 H new ATOM 0 HG3 MET A 187 2.715 -10.892 2.185 1.00 0.49 H new ATOM 0 HE1 MET A 187 3.888 -14.190 0.545 1.00 0.85 H new ATOM 0 HE2 MET A 187 2.690 -13.281 -0.408 1.00 0.85 H new ATOM 0 HE3 MET A 187 3.944 -12.411 0.508 1.00 0.85 H new ATOM 615 N ARG A 188 -2.338 -10.735 4.004 1.00 0.35 N ATOM 616 CA ARG A 188 -3.368 -10.585 5.018 1.00 0.41 C ATOM 617 C ARG A 188 -4.505 -11.574 4.758 1.00 0.41 C ATOM 618 O ARG A 188 -5.357 -11.813 5.614 1.00 0.50 O ATOM 619 CB ARG A 188 -3.922 -9.165 5.004 1.00 0.47 C ATOM 620 CG ARG A 188 -4.642 -8.815 6.291 1.00 0.79 C ATOM 621 CD ARG A 188 -3.669 -8.764 7.456 1.00 0.63 C ATOM 622 NE ARG A 188 -4.336 -8.903 8.748 1.00 1.20 N ATOM 623 CZ ARG A 188 -3.699 -9.057 9.911 1.00 1.43 C ATOM 624 NH1 ARG A 188 -2.372 -9.102 9.950 1.00 1.42 N ATOM 625 NH2 ARG A 188 -4.393 -9.174 11.038 1.00 2.12 N ATOM 0 H ARG A 188 -2.350 -10.016 3.281 1.00 0.35 H new ATOM 0 HA ARG A 188 -2.925 -10.787 5.993 1.00 0.41 H new ATOM 0 HB2 ARG A 188 -3.106 -8.461 4.844 1.00 0.47 H new ATOM 0 HB3 ARG A 188 -4.608 -9.054 4.165 1.00 0.47 H new ATOM 0 HG2 ARG A 188 -5.139 -7.851 6.184 1.00 0.79 H new ATOM 0 HG3 ARG A 188 -5.418 -9.554 6.491 1.00 0.79 H new ATOM 0 HD2 ARG A 188 -2.931 -9.559 7.344 1.00 0.63 H new ATOM 0 HD3 ARG A 188 -3.126 -7.819 7.431 1.00 0.63 H new ATOM 0 HE ARG A 188 -5.356 -8.881 8.763 1.00 1.20 H new ATOM 0 HH11 ARG A 188 -1.833 -9.019 9.088 1.00 1.42 H new ATOM 0 HH12 ARG A 188 -1.892 -9.220 10.842 1.00 1.42 H new ATOM 0 HH21 ARG A 188 -5.412 -9.146 11.014 1.00 2.12 H new ATOM 0 HH22 ARG A 188 -3.906 -9.292 11.927 1.00 2.12 H new ATOM 639 N GLY A 189 -4.507 -12.130 3.556 1.00 0.37 N ATOM 640 CA GLY A 189 -5.541 -13.065 3.161 1.00 0.42 C ATOM 641 C GLY A 189 -6.671 -12.369 2.432 1.00 0.43 C ATOM 642 O GLY A 189 -7.738 -12.946 2.226 1.00 0.53 O ATOM 0 H GLY A 189 -3.804 -11.948 2.840 1.00 0.37 H new ATOM 0 HA2 GLY A 189 -5.111 -13.834 2.519 1.00 0.42 H new ATOM 0 HA3 GLY A 189 -5.933 -13.570 4.044 1.00 0.42 H new ATOM 646 N LEU A 190 -6.428 -11.127 2.039 1.00 0.37 N ATOM 647 CA LEU A 190 -7.444 -10.303 1.399 1.00 0.40 C ATOM 648 C LEU A 190 -7.117 -10.123 -0.080 1.00 0.35 C ATOM 649 O LEU A 190 -6.087 -10.599 -0.556 1.00 0.37 O ATOM 650 CB LEU A 190 -7.516 -8.934 2.086 1.00 0.45 C ATOM 651 CG LEU A 190 -7.525 -8.964 3.619 1.00 0.61 C ATOM 652 CD1 LEU A 190 -7.826 -7.588 4.182 1.00 1.05 C ATOM 653 CD2 LEU A 190 -8.519 -9.986 4.137 1.00 1.28 C ATOM 0 H LEU A 190 -5.526 -10.664 2.154 1.00 0.37 H new ATOM 0 HA LEU A 190 -8.410 -10.800 1.491 1.00 0.40 H new ATOM 0 HB2 LEU A 190 -6.666 -8.337 1.757 1.00 0.45 H new ATOM 0 HB3 LEU A 190 -8.416 -8.423 1.745 1.00 0.45 H new ATOM 0 HG LEU A 190 -6.531 -9.260 3.955 1.00 0.61 H new ATOM 0 HD11 LEU A 190 -7.827 -7.633 5.271 1.00 1.05 H new ATOM 0 HD12 LEU A 190 -7.064 -6.884 3.849 1.00 1.05 H new ATOM 0 HD13 LEU A 190 -8.804 -7.257 3.831 1.00 1.05 H new ATOM 0 HD21 LEU A 190 -8.505 -9.987 5.227 1.00 1.28 H new ATOM 0 HD22 LEU A 190 -9.519 -9.731 3.787 1.00 1.28 H new ATOM 0 HD23 LEU A 190 -8.248 -10.976 3.770 1.00 1.28 H new ATOM 665 N ILE A 191 -7.996 -9.443 -0.806 1.00 0.37 N ATOM 666 CA ILE A 191 -7.788 -9.198 -2.223 1.00 0.35 C ATOM 667 C ILE A 191 -7.799 -7.704 -2.540 1.00 0.36 C ATOM 668 O ILE A 191 -8.586 -6.939 -1.978 1.00 0.39 O ATOM 669 CB ILE A 191 -8.854 -9.906 -3.082 1.00 0.39 C ATOM 670 CG1 ILE A 191 -10.259 -9.424 -2.704 1.00 0.45 C ATOM 671 CG2 ILE A 191 -8.736 -11.409 -2.906 1.00 0.41 C ATOM 672 CD1 ILE A 191 -11.340 -9.909 -3.636 1.00 0.52 C ATOM 0 H ILE A 191 -8.861 -9.052 -0.433 1.00 0.37 H new ATOM 0 HA ILE A 191 -6.807 -9.606 -2.468 1.00 0.35 H new ATOM 0 HB ILE A 191 -8.686 -9.659 -4.130 1.00 0.39 H new ATOM 0 HG12 ILE A 191 -10.488 -9.758 -1.692 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -10.267 -8.334 -2.689 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -9.491 -11.907 -3.514 1.00 0.41 H new ATOM 0 HG22 ILE A 191 -7.744 -11.735 -3.219 1.00 0.41 H new ATOM 0 HG23 ILE A 191 -8.888 -11.666 -1.858 1.00 0.41 H new ATOM 0 HD11 ILE A 191 -12.305 -9.527 -3.304 1.00 0.52 H new ATOM 0 HD12 ILE A 191 -11.137 -9.552 -4.646 1.00 0.52 H new ATOM 0 HD13 ILE A 191 -11.361 -10.999 -3.633 1.00 0.52 H new ATOM 684 N PRO A 192 -6.910 -7.279 -3.451 1.00 0.39 N ATOM 685 CA PRO A 192 -6.782 -5.875 -3.868 1.00 0.43 C ATOM 686 C PRO A 192 -7.954 -5.405 -4.725 1.00 0.41 C ATOM 687 O PRO A 192 -8.095 -4.215 -4.997 1.00 0.46 O ATOM 688 CB PRO A 192 -5.490 -5.870 -4.687 1.00 0.52 C ATOM 689 CG PRO A 192 -5.371 -7.256 -5.210 1.00 0.48 C ATOM 690 CD PRO A 192 -5.931 -8.145 -4.136 1.00 0.43 C ATOM 0 HA PRO A 192 -6.771 -5.199 -3.013 1.00 0.43 H new ATOM 0 HB2 PRO A 192 -5.538 -5.143 -5.498 1.00 0.52 H new ATOM 0 HB3 PRO A 192 -4.631 -5.604 -4.071 1.00 0.52 H new ATOM 0 HG2 PRO A 192 -5.924 -7.372 -6.142 1.00 0.48 H new ATOM 0 HG3 PRO A 192 -4.332 -7.506 -5.423 1.00 0.48 H new ATOM 0 HD2 PRO A 192 -6.404 -9.033 -4.556 1.00 0.43 H new ATOM 0 HD3 PRO A 192 -5.154 -8.490 -3.454 1.00 0.43 H new ATOM 698 N GLU A 193 -8.782 -6.350 -5.147 1.00 0.39 N ATOM 699 CA GLU A 193 -9.957 -6.048 -5.956 1.00 0.43 C ATOM 700 C GLU A 193 -10.923 -5.160 -5.183 1.00 0.36 C ATOM 701 O GLU A 193 -11.442 -4.174 -5.704 1.00 0.45 O ATOM 702 CB GLU A 193 -10.659 -7.347 -6.348 1.00 0.57 C ATOM 703 CG GLU A 193 -9.752 -8.330 -7.066 1.00 0.99 C ATOM 704 CD GLU A 193 -10.377 -9.699 -7.231 1.00 1.20 C ATOM 705 OE1 GLU A 193 -9.749 -10.693 -6.809 1.00 1.73 O ATOM 706 OE2 GLU A 193 -11.496 -9.789 -7.785 1.00 1.74 O ATOM 0 H GLU A 193 -8.661 -7.342 -4.941 1.00 0.39 H new ATOM 0 HA GLU A 193 -9.636 -5.520 -6.854 1.00 0.43 H new ATOM 0 HB2 GLU A 193 -11.058 -7.821 -5.451 1.00 0.57 H new ATOM 0 HB3 GLU A 193 -11.509 -7.113 -6.989 1.00 0.57 H new ATOM 0 HG2 GLU A 193 -9.499 -7.931 -8.048 1.00 0.99 H new ATOM 0 HG3 GLU A 193 -8.819 -8.427 -6.511 1.00 0.99 H new ATOM 713 N CYS A 194 -11.130 -5.508 -3.925 1.00 0.33 N ATOM 714 CA CYS A 194 -12.083 -4.810 -3.079 1.00 0.36 C ATOM 715 C CYS A 194 -11.383 -3.764 -2.214 1.00 0.33 C ATOM 716 O CYS A 194 -11.921 -3.321 -1.202 1.00 0.49 O ATOM 717 CB CYS A 194 -12.808 -5.827 -2.197 1.00 0.48 C ATOM 718 SG CYS A 194 -13.663 -7.123 -3.123 1.00 1.69 S ATOM 0 H CYS A 194 -10.646 -6.278 -3.463 1.00 0.33 H new ATOM 0 HA CYS A 194 -12.804 -4.291 -3.711 1.00 0.36 H new ATOM 0 HB2 CYS A 194 -12.086 -6.291 -1.525 1.00 0.48 H new ATOM 0 HB3 CYS A 194 -13.532 -5.302 -1.574 1.00 0.48 H new ATOM 0 HG CYS A 194 -14.245 -7.937 -2.293 1.00 1.69 H new ATOM 724 N CYS A 195 -10.192 -3.360 -2.623 1.00 0.27 N ATOM 725 CA CYS A 195 -9.392 -2.434 -1.839 1.00 0.25 C ATOM 726 C CYS A 195 -8.933 -1.258 -2.696 1.00 0.23 C ATOM 727 O CYS A 195 -8.895 -1.356 -3.923 1.00 0.29 O ATOM 728 CB CYS A 195 -8.189 -3.177 -1.243 1.00 0.28 C ATOM 729 SG CYS A 195 -8.659 -4.489 -0.093 1.00 0.52 S ATOM 0 H CYS A 195 -9.757 -3.660 -3.496 1.00 0.27 H new ATOM 0 HA CYS A 195 -10.000 -2.035 -1.028 1.00 0.25 H new ATOM 0 HB2 CYS A 195 -7.599 -3.607 -2.052 1.00 0.28 H new ATOM 0 HB3 CYS A 195 -7.549 -2.462 -0.726 1.00 0.28 H new ATOM 0 HG CYS A 195 -8.686 -5.627 -0.721 1.00 0.52 H new ATOM 735 N ALA A 196 -8.627 -0.141 -2.050 1.00 0.26 N ATOM 736 CA ALA A 196 -8.068 1.019 -2.731 1.00 0.26 C ATOM 737 C ALA A 196 -6.837 1.504 -2.000 1.00 0.25 C ATOM 738 O ALA A 196 -6.714 1.304 -0.793 1.00 0.39 O ATOM 739 CB ALA A 196 -9.072 2.151 -2.807 1.00 0.37 C ATOM 0 H ALA A 196 -8.758 -0.014 -1.047 1.00 0.26 H new ATOM 0 HA ALA A 196 -7.807 0.713 -3.744 1.00 0.26 H new ATOM 0 HB1 ALA A 196 -8.623 3.001 -3.321 1.00 0.37 H new ATOM 0 HB2 ALA A 196 -9.954 1.819 -3.356 1.00 0.37 H new ATOM 0 HB3 ALA A 196 -9.362 2.448 -1.799 1.00 0.37 H new ATOM 745 N VAL A 197 -5.930 2.138 -2.718 1.00 0.23 N ATOM 746 CA VAL A 197 -4.748 2.680 -2.101 1.00 0.23 C ATOM 747 C VAL A 197 -4.778 4.210 -2.102 1.00 0.24 C ATOM 748 O VAL A 197 -5.033 4.854 -3.122 1.00 0.36 O ATOM 749 CB VAL A 197 -3.466 2.175 -2.776 1.00 0.29 C ATOM 750 CG1 VAL A 197 -3.526 0.678 -2.999 1.00 0.94 C ATOM 751 CG2 VAL A 197 -3.190 2.925 -4.048 1.00 1.06 C ATOM 0 H VAL A 197 -5.994 2.287 -3.725 1.00 0.23 H new ATOM 0 HA VAL A 197 -4.742 2.331 -1.069 1.00 0.23 H new ATOM 0 HB VAL A 197 -2.629 2.369 -2.105 1.00 0.29 H new ATOM 0 HG11 VAL A 197 -2.606 0.344 -3.479 1.00 0.94 H new ATOM 0 HG12 VAL A 197 -3.640 0.172 -2.040 1.00 0.94 H new ATOM 0 HG13 VAL A 197 -4.376 0.439 -3.639 1.00 0.94 H new ATOM 0 HG21 VAL A 197 -2.276 2.545 -4.503 1.00 1.06 H new ATOM 0 HG22 VAL A 197 -4.023 2.789 -4.738 1.00 1.06 H new ATOM 0 HG23 VAL A 197 -3.071 3.986 -3.827 1.00 1.06 H new ATOM 761 N TYR A 198 -4.592 4.779 -0.936 1.00 0.29 N ATOM 762 CA TYR A 198 -4.448 6.213 -0.788 1.00 0.37 C ATOM 763 C TYR A 198 -3.734 6.517 0.514 1.00 0.45 C ATOM 764 O TYR A 198 -3.731 5.698 1.419 1.00 0.88 O ATOM 765 CB TYR A 198 -5.794 6.932 -0.916 1.00 0.93 C ATOM 766 CG TYR A 198 -6.792 6.656 0.153 1.00 0.33 C ATOM 767 CD1 TYR A 198 -6.806 7.468 1.245 1.00 0.69 C ATOM 768 CD2 TYR A 198 -7.722 5.635 0.060 1.00 0.53 C ATOM 769 CE1 TYR A 198 -7.722 7.292 2.256 1.00 1.46 C ATOM 770 CE2 TYR A 198 -8.649 5.438 1.061 1.00 1.18 C ATOM 771 CZ TYR A 198 -8.647 6.273 2.162 1.00 1.70 C ATOM 772 OH TYR A 198 -9.575 6.098 3.164 1.00 2.49 O ATOM 0 H TYR A 198 -4.536 4.262 -0.058 1.00 0.29 H new ATOM 0 HA TYR A 198 -3.835 6.600 -1.602 1.00 0.37 H new ATOM 0 HB2 TYR A 198 -5.608 8.006 -0.941 1.00 0.93 H new ATOM 0 HB3 TYR A 198 -6.236 6.663 -1.875 1.00 0.93 H new ATOM 0 HD1 TYR A 198 -6.083 8.267 1.319 1.00 0.69 H new ATOM 0 HD2 TYR A 198 -7.721 4.987 -0.804 1.00 0.53 H new ATOM 0 HE1 TYR A 198 -7.717 7.946 3.116 1.00 1.46 H new ATOM 0 HE2 TYR A 198 -9.371 4.638 0.985 1.00 1.18 H new ATOM 0 HH TYR A 198 -10.154 5.338 2.945 1.00 2.49 H new ATOM 934 N ILE A 208 -3.334 7.631 -3.932 1.00 0.36 N ATOM 935 CA ILE A 208 -2.274 7.134 -4.791 1.00 0.36 C ATOM 936 C ILE A 208 -2.890 6.211 -5.815 1.00 0.32 C ATOM 937 O ILE A 208 -4.014 5.742 -5.635 1.00 0.44 O ATOM 938 CB ILE A 208 -1.194 6.330 -4.037 1.00 0.42 C ATOM 939 CG1 ILE A 208 -1.100 6.742 -2.570 1.00 0.56 C ATOM 940 CG2 ILE A 208 0.156 6.501 -4.721 1.00 0.52 C ATOM 941 CD1 ILE A 208 -0.753 8.194 -2.332 1.00 0.90 C ATOM 0 HA ILE A 208 -1.791 8.005 -5.234 1.00 0.36 H new ATOM 0 HB ILE A 208 -1.483 5.279 -4.064 1.00 0.42 H new ATOM 0 HG12 ILE A 208 -2.054 6.529 -2.087 1.00 0.56 H new ATOM 0 HG13 ILE A 208 -0.349 6.121 -2.082 1.00 0.56 H new ATOM 0 HG21 ILE A 208 0.912 5.930 -4.182 1.00 0.52 H new ATOM 0 HG22 ILE A 208 0.092 6.140 -5.747 1.00 0.52 H new ATOM 0 HG23 ILE A 208 0.431 7.556 -4.724 1.00 0.52 H new ATOM 0 HD11 ILE A 208 -0.710 8.387 -1.260 1.00 0.90 H new ATOM 0 HD12 ILE A 208 0.216 8.415 -2.779 1.00 0.90 H new ATOM 0 HD13 ILE A 208 -1.514 8.829 -2.785 1.00 0.90 H new ATOM 953 N GLY A 209 -2.180 5.961 -6.886 1.00 0.34 N ATOM 954 CA GLY A 209 -2.697 5.068 -7.883 1.00 0.37 C ATOM 955 C GLY A 209 -2.092 3.693 -7.811 1.00 0.31 C ATOM 956 O GLY A 209 -0.945 3.526 -7.399 1.00 0.33 O ATOM 0 H GLY A 209 -1.261 6.356 -7.085 1.00 0.34 H new ATOM 0 HA2 GLY A 209 -3.778 4.990 -7.767 1.00 0.37 H new ATOM 0 HA3 GLY A 209 -2.512 5.489 -8.871 1.00 0.37 H new ATOM 960 N TRP A 210 -2.865 2.709 -8.233 1.00 0.29 N ATOM 961 CA TRP A 210 -2.413 1.329 -8.258 1.00 0.27 C ATOM 962 C TRP A 210 -1.361 1.128 -9.346 1.00 0.27 C ATOM 963 O TRP A 210 -0.596 0.163 -9.315 1.00 0.30 O ATOM 964 CB TRP A 210 -3.605 0.395 -8.494 1.00 0.31 C ATOM 965 CG TRP A 210 -4.561 0.330 -7.336 1.00 0.28 C ATOM 966 CD1 TRP A 210 -5.519 1.245 -6.993 1.00 0.31 C ATOM 967 CD2 TRP A 210 -4.651 -0.723 -6.374 1.00 0.26 C ATOM 968 NE1 TRP A 210 -6.192 0.825 -5.867 1.00 0.30 N ATOM 969 CE2 TRP A 210 -5.676 -0.383 -5.472 1.00 0.26 C ATOM 970 CE3 TRP A 210 -3.962 -1.919 -6.189 1.00 0.29 C ATOM 971 CZ2 TRP A 210 -6.020 -1.204 -4.402 1.00 0.26 C ATOM 972 CZ3 TRP A 210 -4.306 -2.731 -5.128 1.00 0.31 C ATOM 973 CH2 TRP A 210 -5.328 -2.370 -4.246 1.00 0.29 C ATOM 0 H TRP A 210 -3.820 2.842 -8.567 1.00 0.29 H new ATOM 0 HA TRP A 210 -1.960 1.092 -7.295 1.00 0.27 H new ATOM 0 HB2 TRP A 210 -4.145 0.727 -9.381 1.00 0.31 H new ATOM 0 HB3 TRP A 210 -3.233 -0.608 -8.703 1.00 0.31 H new ATOM 0 HD1 TRP A 210 -5.718 2.162 -7.527 1.00 0.31 H new ATOM 0 HE1 TRP A 210 -6.948 1.329 -5.404 1.00 0.30 H new ATOM 0 HE3 TRP A 210 -3.171 -2.206 -6.866 1.00 0.29 H new ATOM 0 HZ2 TRP A 210 -6.809 -0.927 -3.718 1.00 0.26 H new ATOM 0 HZ3 TRP A 210 -3.777 -3.660 -4.977 1.00 0.31 H new ATOM 0 HH2 TRP A 210 -5.575 -3.027 -3.425 1.00 0.29 H new ATOM 984 N ASP A 211 -1.314 2.060 -10.292 1.00 0.27 N ATOM 985 CA ASP A 211 -0.389 1.971 -11.419 1.00 0.29 C ATOM 986 C ASP A 211 0.851 2.809 -11.159 1.00 0.25 C ATOM 987 O ASP A 211 1.774 2.847 -11.973 1.00 0.32 O ATOM 988 CB ASP A 211 -1.058 2.436 -12.714 1.00 0.39 C ATOM 989 CG ASP A 211 -2.205 1.545 -13.141 1.00 1.49 C ATOM 990 OD1 ASP A 211 -1.953 0.528 -13.820 1.00 2.30 O ATOM 991 OD2 ASP A 211 -3.370 1.868 -12.813 1.00 2.30 O ATOM 0 H ASP A 211 -1.908 2.889 -10.301 1.00 0.27 H new ATOM 0 HA ASP A 211 -0.099 0.926 -11.529 1.00 0.29 H new ATOM 0 HB2 ASP A 211 -1.426 3.453 -12.581 1.00 0.39 H new ATOM 0 HB3 ASP A 211 -0.314 2.467 -13.510 1.00 0.39 H new ATOM 996 N THR A 212 0.863 3.482 -10.022 1.00 0.23 N ATOM 997 CA THR A 212 2.001 4.279 -9.616 1.00 0.23 C ATOM 998 C THR A 212 3.164 3.367 -9.247 1.00 0.21 C ATOM 999 O THR A 212 2.959 2.287 -8.690 1.00 0.26 O ATOM 1000 CB THR A 212 1.622 5.166 -8.412 1.00 0.25 C ATOM 1001 OG1 THR A 212 0.531 6.020 -8.779 1.00 0.30 O ATOM 1002 CG2 THR A 212 2.799 6.015 -7.938 1.00 0.31 C ATOM 0 H THR A 212 0.088 3.490 -9.359 1.00 0.23 H new ATOM 0 HA THR A 212 2.301 4.920 -10.445 1.00 0.23 H new ATOM 0 HB THR A 212 1.333 4.512 -7.589 1.00 0.25 H new ATOM 0 HG1 THR A 212 0.491 6.782 -8.164 1.00 0.30 H new ATOM 0 HG21 THR A 212 2.489 6.625 -7.089 1.00 0.31 H new ATOM 0 HG22 THR A 212 3.620 5.364 -7.637 1.00 0.31 H new ATOM 0 HG23 THR A 212 3.130 6.664 -8.749 1.00 0.31 H new ATOM 1010 N ASP A 213 4.371 3.779 -9.597 1.00 0.23 N ATOM 1011 CA ASP A 213 5.562 3.036 -9.218 1.00 0.25 C ATOM 1012 C ASP A 213 5.709 3.062 -7.707 1.00 0.23 C ATOM 1013 O ASP A 213 5.822 4.126 -7.104 1.00 0.29 O ATOM 1014 CB ASP A 213 6.807 3.630 -9.878 1.00 0.32 C ATOM 1015 CG ASP A 213 8.060 2.828 -9.575 1.00 0.93 C ATOM 1016 OD1 ASP A 213 8.767 3.169 -8.608 1.00 1.73 O ATOM 1017 OD2 ASP A 213 8.346 1.860 -10.312 1.00 1.66 O ATOM 0 H ASP A 213 4.552 4.622 -10.142 1.00 0.23 H new ATOM 0 HA ASP A 213 5.459 2.006 -9.558 1.00 0.25 H new ATOM 0 HB2 ASP A 213 6.658 3.672 -10.957 1.00 0.32 H new ATOM 0 HB3 ASP A 213 6.943 4.655 -9.534 1.00 0.32 H new ATOM 1022 N ILE A 214 5.685 1.891 -7.095 1.00 0.23 N ATOM 1023 CA ILE A 214 5.708 1.796 -5.643 1.00 0.21 C ATOM 1024 C ILE A 214 7.074 2.175 -5.083 1.00 0.19 C ATOM 1025 O ILE A 214 7.191 2.655 -3.957 1.00 0.21 O ATOM 1026 CB ILE A 214 5.333 0.386 -5.162 1.00 0.22 C ATOM 1027 CG1 ILE A 214 5.470 0.307 -3.649 1.00 0.24 C ATOM 1028 CG2 ILE A 214 6.180 -0.677 -5.849 1.00 0.26 C ATOM 1029 CD1 ILE A 214 5.245 -1.067 -3.104 1.00 0.29 C ATOM 0 H ILE A 214 5.650 0.993 -7.578 1.00 0.23 H new ATOM 0 HA ILE A 214 4.964 2.502 -5.272 1.00 0.21 H new ATOM 0 HB ILE A 214 4.295 0.190 -5.431 1.00 0.22 H new ATOM 0 HG12 ILE A 214 6.466 0.645 -3.364 1.00 0.24 H new ATOM 0 HG13 ILE A 214 4.758 0.993 -3.191 1.00 0.24 H new ATOM 0 HG21 ILE A 214 5.890 -1.663 -5.487 1.00 0.26 H new ATOM 0 HG22 ILE A 214 6.024 -0.626 -6.927 1.00 0.26 H new ATOM 0 HG23 ILE A 214 7.233 -0.504 -5.626 1.00 0.26 H new ATOM 0 HD11 ILE A 214 5.358 -1.051 -2.020 1.00 0.29 H new ATOM 0 HD12 ILE A 214 4.239 -1.399 -3.359 1.00 0.29 H new ATOM 0 HD13 ILE A 214 5.974 -1.753 -3.535 1.00 0.29 H new ATOM 1041 N SER A 215 8.097 1.982 -5.885 1.00 0.21 N ATOM 1042 CA SER A 215 9.447 2.344 -5.504 1.00 0.23 C ATOM 1043 C SER A 215 9.587 3.876 -5.482 1.00 0.25 C ATOM 1044 O SER A 215 10.601 4.424 -5.042 1.00 0.31 O ATOM 1045 CB SER A 215 10.424 1.678 -6.476 1.00 0.31 C ATOM 1046 OG SER A 215 11.750 2.147 -6.308 1.00 1.07 O ATOM 0 H SER A 215 8.019 1.572 -6.816 1.00 0.21 H new ATOM 0 HA SER A 215 9.677 1.991 -4.499 1.00 0.23 H new ATOM 0 HB2 SER A 215 10.401 0.598 -6.329 1.00 0.31 H new ATOM 0 HB3 SER A 215 10.101 1.867 -7.500 1.00 0.31 H new ATOM 0 HG SER A 215 11.742 2.966 -5.769 1.00 1.07 H new ATOM 1052 N TRP A 216 8.546 4.561 -5.956 1.00 0.25 N ATOM 1053 CA TRP A 216 8.460 6.012 -5.874 1.00 0.33 C ATOM 1054 C TRP A 216 7.810 6.411 -4.546 1.00 0.33 C ATOM 1055 O TRP A 216 7.744 7.588 -4.190 1.00 0.45 O ATOM 1056 CB TRP A 216 7.630 6.548 -7.048 1.00 0.40 C ATOM 1057 CG TRP A 216 7.774 8.021 -7.276 1.00 1.13 C ATOM 1058 CD1 TRP A 216 8.854 8.666 -7.806 1.00 1.75 C ATOM 1059 CD2 TRP A 216 6.801 9.034 -6.991 1.00 1.92 C ATOM 1060 NE1 TRP A 216 8.615 10.017 -7.861 1.00 2.60 N ATOM 1061 CE2 TRP A 216 7.362 10.267 -7.368 1.00 2.73 C ATOM 1062 CE3 TRP A 216 5.511 9.018 -6.454 1.00 2.29 C ATOM 1063 CZ2 TRP A 216 6.677 11.471 -7.224 1.00 3.66 C ATOM 1064 CZ3 TRP A 216 4.833 10.213 -6.311 1.00 3.27 C ATOM 1065 CH2 TRP A 216 5.417 11.426 -6.695 1.00 3.87 C ATOM 0 H TRP A 216 7.742 4.123 -6.406 1.00 0.25 H new ATOM 0 HA TRP A 216 9.461 6.439 -5.925 1.00 0.33 H new ATOM 0 HB2 TRP A 216 7.922 6.020 -7.956 1.00 0.40 H new ATOM 0 HB3 TRP A 216 6.579 6.320 -6.870 1.00 0.40 H new ATOM 0 HD1 TRP A 216 9.763 8.184 -8.134 1.00 1.75 H new ATOM 0 HE1 TRP A 216 9.265 10.720 -8.212 1.00 2.60 H new ATOM 0 HE3 TRP A 216 5.052 8.087 -6.156 1.00 2.29 H new ATOM 0 HZ2 TRP A 216 7.126 12.408 -7.520 1.00 3.66 H new ATOM 0 HZ3 TRP A 216 3.836 10.211 -5.896 1.00 3.27 H new ATOM 0 HH2 TRP A 216 4.862 12.344 -6.571 1.00 3.87 H new ATOM 1076 N LEU A 217 7.332 5.406 -3.820 1.00 0.25 N ATOM 1077 CA LEU A 217 6.628 5.615 -2.559 1.00 0.26 C ATOM 1078 C LEU A 217 7.460 5.070 -1.398 1.00 0.24 C ATOM 1079 O LEU A 217 6.995 4.988 -0.263 1.00 0.25 O ATOM 1080 CB LEU A 217 5.267 4.913 -2.607 1.00 0.26 C ATOM 1081 CG LEU A 217 4.470 5.142 -3.895 1.00 0.47 C ATOM 1082 CD1 LEU A 217 3.181 4.344 -3.885 1.00 1.21 C ATOM 1083 CD2 LEU A 217 4.176 6.618 -4.089 1.00 0.92 C ATOM 0 H LEU A 217 7.421 4.426 -4.088 1.00 0.25 H new ATOM 0 HA LEU A 217 6.474 6.683 -2.407 1.00 0.26 H new ATOM 0 HB2 LEU A 217 5.422 3.842 -2.478 1.00 0.26 H new ATOM 0 HB3 LEU A 217 4.669 5.253 -1.761 1.00 0.26 H new ATOM 0 HG LEU A 217 5.078 4.797 -4.731 1.00 0.47 H new ATOM 0 HD11 LEU A 217 2.634 4.524 -4.810 1.00 1.21 H new ATOM 0 HD12 LEU A 217 3.411 3.282 -3.801 1.00 1.21 H new ATOM 0 HD13 LEU A 217 2.570 4.651 -3.037 1.00 1.21 H new ATOM 0 HD21 LEU A 217 3.609 6.758 -5.009 1.00 0.92 H new ATOM 0 HD22 LEU A 217 3.594 6.987 -3.245 1.00 0.92 H new ATOM 0 HD23 LEU A 217 5.113 7.170 -4.152 1.00 0.92 H new ATOM 1095 N THR A 218 8.684 4.673 -1.725 1.00 0.25 N ATOM 1096 CA THR A 218 9.663 4.177 -0.766 1.00 0.26 C ATOM 1097 C THR A 218 9.712 4.981 0.534 1.00 0.28 C ATOM 1098 O THR A 218 9.741 6.213 0.517 1.00 0.32 O ATOM 1099 CB THR A 218 11.064 4.218 -1.383 1.00 0.31 C ATOM 1100 OG1 THR A 218 11.091 3.476 -2.604 1.00 0.32 O ATOM 1101 CG2 THR A 218 12.067 3.658 -0.408 1.00 0.39 C ATOM 0 H THR A 218 9.031 4.687 -2.684 1.00 0.25 H new ATOM 0 HA THR A 218 9.350 3.161 -0.526 1.00 0.26 H new ATOM 0 HB THR A 218 11.324 5.253 -1.604 1.00 0.31 H new ATOM 0 HG1 THR A 218 11.094 4.096 -3.363 1.00 0.32 H new ATOM 0 HG21 THR A 218 13.062 3.689 -0.852 1.00 0.39 H new ATOM 0 HG22 THR A 218 12.058 4.253 0.505 1.00 0.39 H new ATOM 0 HG23 THR A 218 11.807 2.626 -0.171 1.00 0.39 H new ATOM 1109 N GLY A 219 9.742 4.266 1.658 1.00 0.30 N ATOM 1110 CA GLY A 219 9.914 4.901 2.950 1.00 0.37 C ATOM 1111 C GLY A 219 8.678 5.643 3.393 1.00 0.38 C ATOM 1112 O GLY A 219 8.666 6.278 4.448 1.00 0.53 O ATOM 0 H GLY A 219 9.649 3.251 1.693 1.00 0.30 H new ATOM 0 HA2 GLY A 219 10.167 4.145 3.693 1.00 0.37 H new ATOM 0 HA3 GLY A 219 10.754 5.594 2.903 1.00 0.37 H new ATOM 1116 N GLU A 220 7.639 5.563 2.585 1.00 0.29 N ATOM 1117 CA GLU A 220 6.395 6.254 2.875 1.00 0.29 C ATOM 1118 C GLU A 220 5.285 5.251 3.161 1.00 0.28 C ATOM 1119 O GLU A 220 5.298 4.138 2.652 1.00 0.40 O ATOM 1120 CB GLU A 220 6.026 7.181 1.713 1.00 0.36 C ATOM 1121 CG GLU A 220 7.108 8.218 1.425 1.00 1.26 C ATOM 1122 CD GLU A 220 6.733 9.203 0.339 1.00 1.53 C ATOM 1123 OE1 GLU A 220 6.177 10.275 0.668 1.00 2.02 O ATOM 1124 OE2 GLU A 220 7.010 8.927 -0.847 1.00 2.16 O ATOM 0 H GLU A 220 7.631 5.024 1.719 1.00 0.29 H new ATOM 0 HA GLU A 220 6.526 6.866 3.767 1.00 0.29 H new ATOM 0 HB2 GLU A 220 5.852 6.584 0.818 1.00 0.36 H new ATOM 0 HB3 GLU A 220 5.091 7.691 1.943 1.00 0.36 H new ATOM 0 HG2 GLU A 220 7.326 8.767 2.341 1.00 1.26 H new ATOM 0 HG3 GLU A 220 8.024 7.703 1.136 1.00 1.26 H new ATOM 1131 N GLU A 221 4.351 5.641 4.011 1.00 0.30 N ATOM 1132 CA GLU A 221 3.274 4.760 4.425 1.00 0.30 C ATOM 1133 C GLU A 221 2.052 4.922 3.538 1.00 0.31 C ATOM 1134 O GLU A 221 1.545 6.030 3.344 1.00 0.38 O ATOM 1135 CB GLU A 221 2.882 5.028 5.881 1.00 0.38 C ATOM 1136 CG GLU A 221 3.971 4.722 6.904 1.00 0.46 C ATOM 1137 CD GLU A 221 5.155 5.665 6.835 1.00 1.26 C ATOM 1138 OE1 GLU A 221 5.033 6.819 7.299 1.00 2.01 O ATOM 1139 OE2 GLU A 221 6.217 5.252 6.334 1.00 2.03 O ATOM 0 H GLU A 221 4.318 6.570 4.431 1.00 0.30 H new ATOM 0 HA GLU A 221 3.641 3.738 4.331 1.00 0.30 H new ATOM 0 HB2 GLU A 221 2.596 6.075 5.978 1.00 0.38 H new ATOM 0 HB3 GLU A 221 2.001 4.433 6.121 1.00 0.38 H new ATOM 0 HG2 GLU A 221 3.540 4.767 7.904 1.00 0.46 H new ATOM 0 HG3 GLU A 221 4.322 3.701 6.753 1.00 0.46 H new ATOM 1146 N LEU A 222 1.591 3.806 3.007 1.00 0.26 N ATOM 1147 CA LEU A 222 0.396 3.760 2.202 1.00 0.27 C ATOM 1148 C LEU A 222 -0.781 3.277 3.038 1.00 0.25 C ATOM 1149 O LEU A 222 -0.592 2.598 4.043 1.00 0.32 O ATOM 1150 CB LEU A 222 0.628 2.805 1.035 1.00 0.29 C ATOM 1151 CG LEU A 222 1.709 3.235 0.049 1.00 0.54 C ATOM 1152 CD1 LEU A 222 1.826 2.228 -1.082 1.00 1.19 C ATOM 1153 CD2 LEU A 222 1.403 4.617 -0.489 1.00 1.19 C ATOM 0 H LEU A 222 2.043 2.900 3.126 1.00 0.26 H new ATOM 0 HA LEU A 222 0.168 4.758 1.827 1.00 0.27 H new ATOM 0 HB2 LEU A 222 0.892 1.826 1.435 1.00 0.29 H new ATOM 0 HB3 LEU A 222 -0.310 2.686 0.492 1.00 0.29 H new ATOM 0 HG LEU A 222 2.666 3.272 0.569 1.00 0.54 H new ATOM 0 HD11 LEU A 222 2.602 2.550 -1.777 1.00 1.19 H new ATOM 0 HD12 LEU A 222 2.087 1.251 -0.674 1.00 1.19 H new ATOM 0 HD13 LEU A 222 0.874 2.159 -1.608 1.00 1.19 H new ATOM 0 HD21 LEU A 222 2.181 4.914 -1.192 1.00 1.19 H new ATOM 0 HD22 LEU A 222 0.439 4.604 -0.998 1.00 1.19 H new ATOM 0 HD23 LEU A 222 1.368 5.329 0.336 1.00 1.19 H new ATOM 1165 N HIS A 223 -1.983 3.646 2.637 1.00 0.24 N ATOM 1166 CA HIS A 223 -3.185 3.131 3.269 1.00 0.26 C ATOM 1167 C HIS A 223 -4.028 2.385 2.259 1.00 0.28 C ATOM 1168 O HIS A 223 -4.369 2.922 1.204 1.00 0.46 O ATOM 1169 CB HIS A 223 -4.020 4.253 3.889 1.00 0.45 C ATOM 1170 CG HIS A 223 -3.909 4.339 5.368 1.00 0.94 C ATOM 1171 ND1 HIS A 223 -4.841 3.797 6.219 1.00 1.30 N ATOM 1172 CD2 HIS A 223 -2.974 4.918 6.152 1.00 1.85 C ATOM 1173 CE1 HIS A 223 -4.486 4.035 7.464 1.00 2.26 C ATOM 1174 NE2 HIS A 223 -3.356 4.716 7.454 1.00 2.63 N ATOM 0 H HIS A 223 -2.154 4.302 1.875 1.00 0.24 H new ATOM 0 HA HIS A 223 -2.871 2.454 4.063 1.00 0.26 H new ATOM 0 HB2 HIS A 223 -3.712 5.204 3.455 1.00 0.45 H new ATOM 0 HB3 HIS A 223 -5.066 4.105 3.621 1.00 0.45 H new ATOM 0 HD1 HIS A 223 -5.678 3.289 5.931 1.00 1.30 H new ATOM 0 HD2 HIS A 223 -2.091 5.442 5.817 1.00 1.85 H new ATOM 0 HE1 HIS A 223 -5.028 3.725 8.345 1.00 2.26 H new ATOM 1183 N VAL A 224 -4.341 1.143 2.565 1.00 0.27 N ATOM 1184 CA VAL A 224 -5.268 0.391 1.757 1.00 0.34 C ATOM 1185 C VAL A 224 -6.587 0.278 2.481 1.00 0.38 C ATOM 1186 O VAL A 224 -6.681 -0.303 3.562 1.00 0.51 O ATOM 1187 CB VAL A 224 -4.754 -1.009 1.405 1.00 0.55 C ATOM 1188 CG1 VAL A 224 -5.786 -1.739 0.572 1.00 0.91 C ATOM 1189 CG2 VAL A 224 -3.469 -0.911 0.630 1.00 0.97 C ATOM 0 H VAL A 224 -3.966 0.637 3.367 1.00 0.27 H new ATOM 0 HA VAL A 224 -5.389 0.932 0.818 1.00 0.34 H new ATOM 0 HB VAL A 224 -4.574 -1.558 2.329 1.00 0.55 H new ATOM 0 HG11 VAL A 224 -5.416 -2.734 0.324 1.00 0.91 H new ATOM 0 HG12 VAL A 224 -6.714 -1.827 1.137 1.00 0.91 H new ATOM 0 HG13 VAL A 224 -5.972 -1.182 -0.346 1.00 0.91 H new ATOM 0 HG21 VAL A 224 -3.114 -1.912 0.386 1.00 0.97 H new ATOM 0 HG22 VAL A 224 -3.641 -0.353 -0.290 1.00 0.97 H new ATOM 0 HG23 VAL A 224 -2.719 -0.397 1.232 1.00 0.97 H new ATOM 1199 N GLU A 225 -7.599 0.850 1.877 1.00 0.38 N ATOM 1200 CA GLU A 225 -8.903 0.924 2.489 1.00 0.49 C ATOM 1201 C GLU A 225 -9.910 0.197 1.610 1.00 0.39 C ATOM 1202 O GLU A 225 -9.922 0.373 0.389 1.00 0.46 O ATOM 1203 CB GLU A 225 -9.284 2.390 2.683 1.00 0.68 C ATOM 1204 CG GLU A 225 -8.260 3.177 3.507 1.00 0.93 C ATOM 1205 CD GLU A 225 -8.300 2.859 4.996 1.00 1.32 C ATOM 1206 OE1 GLU A 225 -7.219 2.757 5.622 1.00 1.78 O ATOM 1207 OE2 GLU A 225 -9.410 2.730 5.558 1.00 1.94 O ATOM 0 H GLU A 225 -7.543 1.276 0.952 1.00 0.38 H new ATOM 0 HA GLU A 225 -8.895 0.442 3.467 1.00 0.49 H new ATOM 0 HB2 GLU A 225 -9.395 2.862 1.707 1.00 0.68 H new ATOM 0 HB3 GLU A 225 -10.255 2.444 3.175 1.00 0.68 H new ATOM 0 HG2 GLU A 225 -7.261 2.966 3.126 1.00 0.93 H new ATOM 0 HG3 GLU A 225 -8.436 4.244 3.367 1.00 0.93 H new ATOM 1214 N VAL A 226 -10.724 -0.640 2.230 1.00 0.50 N ATOM 1215 CA VAL A 226 -11.675 -1.472 1.507 1.00 0.48 C ATOM 1216 C VAL A 226 -12.761 -0.627 0.855 1.00 0.52 C ATOM 1217 O VAL A 226 -13.395 0.203 1.505 1.00 0.69 O ATOM 1218 CB VAL A 226 -12.319 -2.518 2.437 1.00 0.64 C ATOM 1219 CG1 VAL A 226 -13.230 -3.461 1.663 1.00 1.12 C ATOM 1220 CG2 VAL A 226 -11.241 -3.294 3.173 1.00 1.12 C ATOM 0 H VAL A 226 -10.746 -0.763 3.242 1.00 0.50 H new ATOM 0 HA VAL A 226 -11.120 -1.992 0.726 1.00 0.48 H new ATOM 0 HB VAL A 226 -12.935 -1.993 3.167 1.00 0.64 H new ATOM 0 HG11 VAL A 226 -13.669 -4.187 2.348 1.00 1.12 H new ATOM 0 HG12 VAL A 226 -14.024 -2.888 1.184 1.00 1.12 H new ATOM 0 HG13 VAL A 226 -12.650 -3.984 0.902 1.00 1.12 H new ATOM 0 HG21 VAL A 226 -11.706 -4.031 3.828 1.00 1.12 H new ATOM 0 HG22 VAL A 226 -10.602 -3.802 2.451 1.00 1.12 H new ATOM 0 HG23 VAL A 226 -10.641 -2.607 3.769 1.00 1.12 H new