USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 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 173 CYS SG : rot 27:sc= 1.23 USER MOD Set 1.2: A 215 SER OG : rot 155:sc= 1.34 USER MOD Single : A 163 ASN : amide:sc=-0.00467 K(o=-0.0047,f=-1.5) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -1.44! X(o=-1.4!,f=-1.3) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.0769 USER MOD Single : A 176 THR OG1 : rot -170:sc= -2.03! USER MOD Single : A 180 SER OG : rot 43:sc= 0.866 USER MOD Single : A 182 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.173) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl 172:sc= -2.55 (180deg=-3.01!) USER MOD Single : A 187 MET CE :methyl -122:sc=-0.00319 (180deg=-2.26!) USER MOD Single : A 194 CYS SG : rot 180:sc= -0.338 USER MOD Single : A 195 CYS SG : rot 94:sc= -0.611 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 93:sc= 0.019 USER MOD Single : A 218 THR OG1 : rot 119:sc= 0.702 USER MOD Single : A 223 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 15.256 -0.198 0.665 1.00 0.42 N ATOM 66 CA PRO A 155 14.034 0.595 0.819 1.00 0.38 C ATOM 67 C PRO A 155 12.775 -0.261 0.897 1.00 0.33 C ATOM 68 O PRO A 155 12.669 -1.299 0.235 1.00 0.33 O ATOM 69 CB PRO A 155 14.015 1.438 -0.449 1.00 0.40 C ATOM 70 CG PRO A 155 14.688 0.585 -1.454 1.00 0.39 C ATOM 71 CD PRO A 155 15.798 -0.098 -0.708 1.00 0.43 C ATOM 0 HA PRO A 155 14.038 1.169 1.746 1.00 0.38 H new ATOM 0 HB2 PRO A 155 12.997 1.683 -0.751 1.00 0.40 H new ATOM 0 HB3 PRO A 155 14.542 2.382 -0.309 1.00 0.40 H new ATOM 0 HG2 PRO A 155 13.996 -0.140 -1.882 1.00 0.39 H new ATOM 0 HG3 PRO A 155 15.076 1.181 -2.280 1.00 0.39 H new ATOM 0 HD2 PRO A 155 16.023 -1.079 -1.127 1.00 0.43 H new ATOM 0 HD3 PRO A 155 16.721 0.481 -0.737 1.00 0.43 H new ATOM 79 N ILE A 156 11.820 0.193 1.696 1.00 0.33 N ATOM 80 CA ILE A 156 10.556 -0.506 1.871 1.00 0.29 C ATOM 81 C ILE A 156 9.398 0.483 1.937 1.00 0.29 C ATOM 82 O ILE A 156 9.584 1.654 2.279 1.00 0.37 O ATOM 83 CB ILE A 156 10.548 -1.364 3.159 1.00 0.31 C ATOM 84 CG1 ILE A 156 11.048 -0.542 4.354 1.00 0.38 C ATOM 85 CG2 ILE A 156 11.379 -2.630 2.979 1.00 0.37 C ATOM 86 CD1 ILE A 156 11.004 -1.287 5.672 1.00 0.79 C ATOM 0 H ILE A 156 11.899 1.053 2.239 1.00 0.33 H new ATOM 0 HA ILE A 156 10.437 -1.162 1.009 1.00 0.29 H new ATOM 0 HB ILE A 156 9.521 -1.669 3.360 1.00 0.31 H new ATOM 0 HG12 ILE A 156 12.073 -0.225 4.161 1.00 0.38 H new ATOM 0 HG13 ILE A 156 10.445 0.362 4.438 1.00 0.38 H new ATOM 0 HG21 ILE A 156 11.356 -3.214 3.899 1.00 0.37 H new ATOM 0 HG22 ILE A 156 10.967 -3.223 2.162 1.00 0.37 H new ATOM 0 HG23 ILE A 156 12.409 -2.359 2.747 1.00 0.37 H new ATOM 0 HD11 ILE A 156 11.373 -0.640 6.468 1.00 0.79 H new ATOM 0 HD12 ILE A 156 9.977 -1.581 5.890 1.00 0.79 H new ATOM 0 HD13 ILE A 156 11.630 -2.177 5.608 1.00 0.79 H new ATOM 98 N VAL A 157 8.215 0.016 1.580 1.00 0.25 N ATOM 99 CA VAL A 157 7.003 0.785 1.750 1.00 0.27 C ATOM 100 C VAL A 157 6.046 0.003 2.639 1.00 0.21 C ATOM 101 O VAL A 157 5.756 -1.171 2.391 1.00 0.25 O ATOM 102 CB VAL A 157 6.318 1.122 0.409 1.00 0.38 C ATOM 103 CG1 VAL A 157 5.028 1.898 0.658 1.00 1.05 C ATOM 104 CG2 VAL A 157 7.246 1.920 -0.502 1.00 0.91 C ATOM 0 H VAL A 157 8.071 -0.905 1.166 1.00 0.25 H new ATOM 0 HA VAL A 157 7.272 1.735 2.212 1.00 0.27 H new ATOM 0 HB VAL A 157 6.080 0.184 -0.093 1.00 0.38 H new ATOM 0 HG11 VAL A 157 4.553 2.130 -0.295 1.00 1.05 H new ATOM 0 HG12 VAL A 157 4.351 1.294 1.263 1.00 1.05 H new ATOM 0 HG13 VAL A 157 5.257 2.824 1.185 1.00 1.05 H new ATOM 0 HG21 VAL A 157 6.734 2.142 -1.439 1.00 0.91 H new ATOM 0 HG22 VAL A 157 7.524 2.853 -0.011 1.00 0.91 H new ATOM 0 HG23 VAL A 157 8.143 1.337 -0.708 1.00 0.91 H new ATOM 114 N ARG A 158 5.586 0.655 3.682 1.00 0.21 N ATOM 115 CA ARG A 158 4.766 0.016 4.698 1.00 0.21 C ATOM 116 C ARG A 158 3.298 0.386 4.523 1.00 0.21 C ATOM 117 O ARG A 158 2.896 1.506 4.809 1.00 0.32 O ATOM 118 CB ARG A 158 5.271 0.438 6.074 1.00 0.26 C ATOM 119 CG ARG A 158 6.687 -0.050 6.355 1.00 0.29 C ATOM 120 CD ARG A 158 7.463 0.893 7.258 1.00 0.49 C ATOM 121 NE ARG A 158 6.641 1.492 8.311 1.00 1.36 N ATOM 122 CZ ARG A 158 7.141 2.125 9.374 1.00 1.81 C ATOM 123 NH1 ARG A 158 8.453 2.175 9.570 1.00 1.70 N ATOM 124 NH2 ARG A 158 6.324 2.715 10.231 1.00 2.87 N ATOM 0 H ARG A 158 5.767 1.644 3.854 1.00 0.21 H new ATOM 0 HA ARG A 158 4.843 -1.067 4.598 1.00 0.21 H new ATOM 0 HB2 ARG A 158 5.244 1.525 6.149 1.00 0.26 H new ATOM 0 HB3 ARG A 158 4.598 0.049 6.839 1.00 0.26 H new ATOM 0 HG2 ARG A 158 6.642 -1.036 6.818 1.00 0.29 H new ATOM 0 HG3 ARG A 158 7.221 -0.165 5.412 1.00 0.29 H new ATOM 0 HD2 ARG A 158 8.289 0.349 7.716 1.00 0.49 H new ATOM 0 HD3 ARG A 158 7.901 1.687 6.653 1.00 0.49 H new ATOM 0 HE ARG A 158 5.627 1.421 8.227 1.00 1.36 H new ATOM 0 HH11 ARG A 158 9.085 1.728 8.906 1.00 1.70 H new ATOM 0 HH12 ARG A 158 8.829 2.660 10.385 1.00 1.70 H new ATOM 0 HH21 ARG A 158 5.316 2.685 10.078 1.00 2.87 H new ATOM 0 HH22 ARG A 158 6.702 3.200 11.045 1.00 2.87 H new ATOM 138 N VAL A 159 2.504 -0.560 4.051 1.00 0.20 N ATOM 139 CA VAL A 159 1.101 -0.299 3.746 1.00 0.21 C ATOM 140 C VAL A 159 0.195 -0.732 4.886 1.00 0.23 C ATOM 141 O VAL A 159 0.237 -1.879 5.306 1.00 0.36 O ATOM 142 CB VAL A 159 0.639 -1.056 2.491 1.00 0.28 C ATOM 143 CG1 VAL A 159 -0.657 -0.470 1.968 1.00 0.42 C ATOM 144 CG2 VAL A 159 1.716 -1.058 1.415 1.00 0.35 C ATOM 0 H VAL A 159 2.804 -1.518 3.869 1.00 0.20 H new ATOM 0 HA VAL A 159 1.029 0.777 3.585 1.00 0.21 H new ATOM 0 HB VAL A 159 0.458 -2.094 2.769 1.00 0.28 H new ATOM 0 HG11 VAL A 159 -0.971 -1.017 1.079 1.00 0.42 H new ATOM 0 HG12 VAL A 159 -1.428 -0.550 2.734 1.00 0.42 H new ATOM 0 HG13 VAL A 159 -0.506 0.579 1.714 1.00 0.42 H new ATOM 0 HG21 VAL A 159 1.356 -1.602 0.541 1.00 0.35 H new ATOM 0 HG22 VAL A 159 1.950 -0.032 1.133 1.00 0.35 H new ATOM 0 HG23 VAL A 159 2.614 -1.542 1.800 1.00 0.35 H new ATOM 154 N PHE A 160 -0.632 0.170 5.374 1.00 0.22 N ATOM 155 CA PHE A 160 -1.634 -0.191 6.360 1.00 0.22 C ATOM 156 C PHE A 160 -2.754 -1.002 5.704 1.00 0.24 C ATOM 157 O PHE A 160 -3.598 -0.461 4.987 1.00 0.28 O ATOM 158 CB PHE A 160 -2.210 1.053 7.038 1.00 0.25 C ATOM 159 CG PHE A 160 -1.337 1.617 8.124 1.00 0.30 C ATOM 160 CD1 PHE A 160 -0.186 2.327 7.819 1.00 0.38 C ATOM 161 CD2 PHE A 160 -1.679 1.444 9.456 1.00 0.48 C ATOM 162 CE1 PHE A 160 0.605 2.852 8.822 1.00 0.46 C ATOM 163 CE2 PHE A 160 -0.890 1.966 10.462 1.00 0.58 C ATOM 164 CZ PHE A 160 0.253 2.672 10.145 1.00 0.51 C ATOM 0 H PHE A 160 -0.632 1.154 5.107 1.00 0.22 H new ATOM 0 HA PHE A 160 -1.154 -0.803 7.124 1.00 0.22 H new ATOM 0 HB2 PHE A 160 -2.376 1.822 6.283 1.00 0.25 H new ATOM 0 HB3 PHE A 160 -3.184 0.806 7.460 1.00 0.25 H new ATOM 0 HD1 PHE A 160 0.095 2.471 6.786 1.00 0.38 H new ATOM 0 HD2 PHE A 160 -2.573 0.894 9.710 1.00 0.48 H new ATOM 0 HE1 PHE A 160 1.499 3.404 8.571 1.00 0.46 H new ATOM 0 HE2 PHE A 160 -1.167 1.822 11.496 1.00 0.58 H new ATOM 0 HZ PHE A 160 0.871 3.083 10.930 1.00 0.51 H new ATOM 174 N LEU A 161 -2.708 -2.305 5.937 1.00 0.27 N ATOM 175 CA LEU A 161 -3.736 -3.242 5.530 1.00 0.33 C ATOM 176 C LEU A 161 -5.093 -2.845 6.101 1.00 0.33 C ATOM 177 O LEU A 161 -5.168 -2.166 7.129 1.00 0.37 O ATOM 178 CB LEU A 161 -3.346 -4.604 6.086 1.00 0.49 C ATOM 179 CG LEU A 161 -1.970 -5.097 5.654 1.00 0.72 C ATOM 180 CD1 LEU A 161 -1.517 -6.240 6.539 1.00 1.46 C ATOM 181 CD2 LEU A 161 -2.010 -5.527 4.208 1.00 0.98 C ATOM 0 H LEU A 161 -1.932 -2.749 6.428 1.00 0.27 H new ATOM 0 HA LEU A 161 -3.817 -3.255 4.443 1.00 0.33 H new ATOM 0 HB2 LEU A 161 -3.376 -4.559 7.175 1.00 0.49 H new ATOM 0 HB3 LEU A 161 -4.093 -5.335 5.777 1.00 0.49 H new ATOM 0 HG LEU A 161 -1.253 -4.282 5.757 1.00 0.72 H new ATOM 0 HD11 LEU A 161 -0.533 -6.581 6.218 1.00 1.46 H new ATOM 0 HD12 LEU A 161 -1.464 -5.900 7.573 1.00 1.46 H new ATOM 0 HD13 LEU A 161 -2.228 -7.062 6.464 1.00 1.46 H new ATOM 0 HD21 LEU A 161 -1.023 -5.878 3.905 1.00 0.98 H new ATOM 0 HD22 LEU A 161 -2.735 -6.332 4.088 1.00 0.98 H new ATOM 0 HD23 LEU A 161 -2.301 -4.681 3.585 1.00 0.98 H new ATOM 193 N PRO A 162 -6.178 -3.262 5.443 1.00 0.38 N ATOM 194 CA PRO A 162 -7.534 -3.110 5.973 1.00 0.43 C ATOM 195 C PRO A 162 -7.652 -3.694 7.378 1.00 0.42 C ATOM 196 O PRO A 162 -6.891 -4.594 7.745 1.00 0.40 O ATOM 197 CB PRO A 162 -8.394 -3.906 4.989 1.00 0.49 C ATOM 198 CG PRO A 162 -7.619 -3.882 3.719 1.00 0.50 C ATOM 199 CD PRO A 162 -6.168 -3.900 4.121 1.00 0.46 C ATOM 0 HA PRO A 162 -7.832 -2.065 6.061 1.00 0.43 H new ATOM 0 HB2 PRO A 162 -8.555 -4.926 5.337 1.00 0.49 H new ATOM 0 HB3 PRO A 162 -9.377 -3.453 4.863 1.00 0.49 H new ATOM 0 HG2 PRO A 162 -7.863 -4.743 3.096 1.00 0.50 H new ATOM 0 HG3 PRO A 162 -7.852 -2.991 3.136 1.00 0.50 H new ATOM 0 HD2 PRO A 162 -5.776 -4.916 4.167 1.00 0.46 H new ATOM 0 HD3 PRO A 162 -5.547 -3.350 3.413 1.00 0.46 H new ATOM 207 N ASN A 163 -8.600 -3.170 8.154 1.00 0.51 N ATOM 208 CA ASN A 163 -8.787 -3.557 9.558 1.00 0.54 C ATOM 209 C ASN A 163 -7.657 -3.003 10.419 1.00 0.48 C ATOM 210 O ASN A 163 -7.419 -3.460 11.540 1.00 0.53 O ATOM 211 CB ASN A 163 -8.903 -5.081 9.722 1.00 0.60 C ATOM 212 CG ASN A 163 -10.217 -5.633 9.196 1.00 1.26 C ATOM 213 OD1 ASN A 163 -10.828 -5.073 8.284 1.00 2.08 O ATOM 214 ND2 ASN A 163 -10.660 -6.743 9.764 1.00 1.86 N ATOM 0 H ASN A 163 -9.262 -2.465 7.830 1.00 0.51 H new ATOM 0 HA ASN A 163 -9.728 -3.124 9.896 1.00 0.54 H new ATOM 0 HB2 ASN A 163 -8.077 -5.562 9.198 1.00 0.60 H new ATOM 0 HB3 ASN A 163 -8.803 -5.337 10.777 1.00 0.60 H new ATOM 0 HD21 ASN A 163 -11.535 -7.163 9.449 1.00 1.86 H new ATOM 0 HD22 ASN A 163 -10.127 -7.179 10.517 1.00 1.86 H new ATOM 221 N LYS A 164 -6.970 -2.002 9.870 1.00 0.48 N ATOM 222 CA LYS A 164 -5.922 -1.264 10.571 1.00 0.52 C ATOM 223 C LYS A 164 -4.702 -2.131 10.882 1.00 0.44 C ATOM 224 O LYS A 164 -4.068 -1.967 11.924 1.00 0.52 O ATOM 225 CB LYS A 164 -6.466 -0.629 11.854 1.00 0.69 C ATOM 226 CG LYS A 164 -7.588 0.365 11.606 1.00 0.88 C ATOM 227 CD LYS A 164 -7.106 1.625 10.898 1.00 1.22 C ATOM 228 CE LYS A 164 -6.058 2.368 11.710 1.00 2.04 C ATOM 229 NZ LYS A 164 -5.763 3.709 11.139 1.00 2.74 N ATOM 0 H LYS A 164 -7.128 -1.678 8.916 1.00 0.48 H new ATOM 0 HA LYS A 164 -5.592 -0.474 9.896 1.00 0.52 H new ATOM 0 HB2 LYS A 164 -6.828 -1.416 12.515 1.00 0.69 H new ATOM 0 HB3 LYS A 164 -5.652 -0.124 12.374 1.00 0.69 H new ATOM 0 HG2 LYS A 164 -8.364 -0.110 11.006 1.00 0.88 H new ATOM 0 HG3 LYS A 164 -8.043 0.639 12.558 1.00 0.88 H new ATOM 0 HD2 LYS A 164 -6.690 1.358 9.926 1.00 1.22 H new ATOM 0 HD3 LYS A 164 -7.954 2.283 10.712 1.00 1.22 H new ATOM 0 HE2 LYS A 164 -6.406 2.479 12.737 1.00 2.04 H new ATOM 0 HE3 LYS A 164 -5.142 1.779 11.746 1.00 2.04 H new ATOM 0 HZ1 LYS A 164 -5.044 4.184 11.721 1.00 2.74 H new ATOM 0 HZ2 LYS A 164 -5.407 3.602 10.168 1.00 2.74 H new ATOM 0 HZ3 LYS A 164 -6.632 4.280 11.128 1.00 2.74 H new ATOM 243 N GLN A 165 -4.370 -3.052 9.986 1.00 0.36 N ATOM 244 CA GLN A 165 -3.131 -3.804 10.108 1.00 0.37 C ATOM 245 C GLN A 165 -2.083 -3.097 9.277 1.00 0.33 C ATOM 246 O GLN A 165 -2.368 -2.067 8.673 1.00 0.38 O ATOM 247 CB GLN A 165 -3.313 -5.244 9.612 1.00 0.42 C ATOM 248 CG GLN A 165 -4.718 -5.774 9.787 1.00 0.50 C ATOM 249 CD GLN A 165 -5.062 -6.097 11.232 1.00 0.66 C ATOM 250 OE1 GLN A 165 -6.214 -5.999 11.641 1.00 1.33 O ATOM 251 NE2 GLN A 165 -4.069 -6.498 12.013 1.00 1.33 N ATOM 0 H GLN A 165 -4.937 -3.294 9.174 1.00 0.36 H new ATOM 0 HA GLN A 165 -2.827 -3.854 11.154 1.00 0.37 H new ATOM 0 HB2 GLN A 165 -3.045 -5.292 8.557 1.00 0.42 H new ATOM 0 HB3 GLN A 165 -2.620 -5.893 10.147 1.00 0.42 H new ATOM 0 HG2 GLN A 165 -5.427 -5.038 9.408 1.00 0.50 H new ATOM 0 HG3 GLN A 165 -4.838 -6.673 9.182 1.00 0.50 H new ATOM 0 HE21 GLN A 165 -3.123 -6.568 11.639 1.00 1.33 H new ATOM 0 HE22 GLN A 165 -4.251 -6.737 12.988 1.00 1.33 H new ATOM 260 N ARG A 166 -0.878 -3.617 9.239 1.00 0.34 N ATOM 261 CA ARG A 166 0.136 -3.017 8.412 1.00 0.32 C ATOM 262 C ARG A 166 1.080 -4.071 7.873 1.00 0.41 C ATOM 263 O ARG A 166 1.452 -5.005 8.569 1.00 0.79 O ATOM 264 CB ARG A 166 0.894 -1.938 9.178 1.00 0.40 C ATOM 265 CG ARG A 166 1.681 -1.027 8.291 1.00 0.95 C ATOM 266 CD ARG A 166 2.482 -0.041 9.107 1.00 0.96 C ATOM 267 NE ARG A 166 3.299 -0.692 10.131 1.00 1.54 N ATOM 268 CZ ARG A 166 3.803 -0.062 11.192 1.00 1.82 C ATOM 269 NH1 ARG A 166 3.653 1.251 11.327 1.00 1.62 N ATOM 270 NH2 ARG A 166 4.487 -0.741 12.098 1.00 2.49 N ATOM 0 H ARG A 166 -0.582 -4.441 9.763 1.00 0.34 H new ATOM 0 HA ARG A 166 -0.354 -2.540 7.563 1.00 0.32 H new ATOM 0 HB2 ARG A 166 0.185 -1.347 9.757 1.00 0.40 H new ATOM 0 HB3 ARG A 166 1.569 -2.413 9.890 1.00 0.40 H new ATOM 0 HG2 ARG A 166 2.351 -1.614 7.662 1.00 0.95 H new ATOM 0 HG3 ARG A 166 1.007 -0.490 7.624 1.00 0.95 H new ATOM 0 HD2 ARG A 166 3.128 0.534 8.444 1.00 0.96 H new ATOM 0 HD3 ARG A 166 1.804 0.666 9.584 1.00 0.96 H new ATOM 0 HE ARG A 166 3.495 -1.688 10.027 1.00 1.54 H new ATOM 0 HH11 ARG A 166 3.150 1.783 10.617 1.00 1.62 H new ATOM 0 HH12 ARG A 166 4.041 1.728 12.141 1.00 1.62 H new ATOM 0 HH21 ARG A 166 4.628 -1.745 11.984 1.00 2.49 H new ATOM 0 HH22 ARG A 166 4.874 -0.261 12.911 1.00 2.49 H new ATOM 284 N THR A 167 1.419 -3.916 6.619 1.00 0.25 N ATOM 285 CA THR A 167 2.326 -4.802 5.930 1.00 0.27 C ATOM 286 C THR A 167 3.529 -4.011 5.462 1.00 0.25 C ATOM 287 O THR A 167 3.548 -2.782 5.561 1.00 0.31 O ATOM 288 CB THR A 167 1.639 -5.443 4.704 1.00 0.35 C ATOM 289 OG1 THR A 167 2.446 -6.495 4.165 1.00 0.50 O ATOM 290 CG2 THR A 167 1.411 -4.397 3.632 1.00 0.52 C ATOM 0 H THR A 167 1.067 -3.157 6.036 1.00 0.25 H new ATOM 0 HA THR A 167 2.631 -5.593 6.615 1.00 0.27 H new ATOM 0 HB THR A 167 0.683 -5.855 5.027 1.00 0.35 H new ATOM 0 HG1 THR A 167 1.994 -6.890 3.390 1.00 0.50 H new ATOM 0 HG21 THR A 167 0.926 -4.858 2.771 1.00 0.52 H new ATOM 0 HG22 THR A 167 0.774 -3.605 4.026 1.00 0.52 H new ATOM 0 HG23 THR A 167 2.368 -3.975 3.326 1.00 0.52 H new ATOM 298 N VAL A 168 4.528 -4.705 4.958 1.00 0.25 N ATOM 299 CA VAL A 168 5.684 -4.048 4.400 1.00 0.27 C ATOM 300 C VAL A 168 6.147 -4.790 3.162 1.00 0.25 C ATOM 301 O VAL A 168 6.326 -6.011 3.181 1.00 0.30 O ATOM 302 CB VAL A 168 6.862 -3.978 5.383 1.00 0.39 C ATOM 303 CG1 VAL A 168 7.859 -2.926 4.939 1.00 0.73 C ATOM 304 CG2 VAL A 168 6.395 -3.711 6.811 1.00 0.88 C ATOM 0 H VAL A 168 4.560 -5.724 4.925 1.00 0.25 H new ATOM 0 HA VAL A 168 5.377 -3.029 4.162 1.00 0.27 H new ATOM 0 HB VAL A 168 7.353 -4.951 5.380 1.00 0.39 H new ATOM 0 HG11 VAL A 168 8.688 -2.889 5.646 1.00 0.73 H new ATOM 0 HG12 VAL A 168 8.238 -3.179 3.949 1.00 0.73 H new ATOM 0 HG13 VAL A 168 7.369 -1.953 4.903 1.00 0.73 H new ATOM 0 HG21 VAL A 168 7.259 -3.669 7.474 1.00 0.88 H new ATOM 0 HG22 VAL A 168 5.863 -2.761 6.848 1.00 0.88 H new ATOM 0 HG23 VAL A 168 5.730 -4.512 7.132 1.00 0.88 H new ATOM 314 N VAL A 169 6.338 -4.044 2.101 1.00 0.26 N ATOM 315 CA VAL A 169 6.872 -4.579 0.864 1.00 0.26 C ATOM 316 C VAL A 169 7.993 -3.677 0.370 1.00 0.28 C ATOM 317 O VAL A 169 7.857 -2.453 0.343 1.00 0.29 O ATOM 318 CB VAL A 169 5.776 -4.750 -0.223 1.00 0.32 C ATOM 319 CG1 VAL A 169 4.977 -3.472 -0.422 1.00 1.17 C ATOM 320 CG2 VAL A 169 6.370 -5.204 -1.553 1.00 1.31 C ATOM 0 H VAL A 169 6.128 -3.046 2.067 1.00 0.26 H new ATOM 0 HA VAL A 169 7.266 -5.575 1.064 1.00 0.26 H new ATOM 0 HB VAL A 169 5.100 -5.526 0.136 1.00 0.32 H new ATOM 0 HG11 VAL A 169 4.220 -3.632 -1.190 1.00 1.17 H new ATOM 0 HG12 VAL A 169 4.491 -3.197 0.514 1.00 1.17 H new ATOM 0 HG13 VAL A 169 5.646 -2.669 -0.733 1.00 1.17 H new ATOM 0 HG21 VAL A 169 5.573 -5.313 -2.289 1.00 1.31 H new ATOM 0 HG22 VAL A 169 7.088 -4.462 -1.903 1.00 1.31 H new ATOM 0 HG23 VAL A 169 6.873 -6.161 -1.419 1.00 1.31 H new ATOM 330 N PRO A 170 9.138 -4.285 0.038 1.00 0.31 N ATOM 331 CA PRO A 170 10.304 -3.575 -0.468 1.00 0.32 C ATOM 332 C PRO A 170 9.946 -2.626 -1.603 1.00 0.28 C ATOM 333 O PRO A 170 9.064 -2.924 -2.411 1.00 0.33 O ATOM 334 CB PRO A 170 11.223 -4.675 -1.003 1.00 0.40 C ATOM 335 CG PRO A 170 10.655 -5.984 -0.555 1.00 0.59 C ATOM 336 CD PRO A 170 9.375 -5.720 0.194 1.00 0.39 C ATOM 0 HA PRO A 170 10.759 -2.966 0.313 1.00 0.32 H new ATOM 0 HB2 PRO A 170 11.280 -4.633 -2.091 1.00 0.40 H new ATOM 0 HB3 PRO A 170 12.237 -4.546 -0.625 1.00 0.40 H new ATOM 0 HG2 PRO A 170 10.465 -6.628 -1.414 1.00 0.59 H new ATOM 0 HG3 PRO A 170 11.367 -6.507 0.084 1.00 0.59 H new ATOM 0 HD2 PRO A 170 8.550 -6.304 -0.215 1.00 0.39 H new ATOM 0 HD3 PRO A 170 9.468 -5.993 1.245 1.00 0.39 H new ATOM 344 N ALA A 171 10.624 -1.483 -1.645 1.00 0.24 N ATOM 345 CA ALA A 171 10.419 -0.504 -2.704 1.00 0.21 C ATOM 346 C ALA A 171 10.870 -1.085 -4.036 1.00 0.24 C ATOM 347 O ALA A 171 11.993 -0.852 -4.489 1.00 0.35 O ATOM 348 CB ALA A 171 11.179 0.775 -2.403 1.00 0.21 C ATOM 0 H ALA A 171 11.323 -1.212 -0.953 1.00 0.24 H new ATOM 0 HA ALA A 171 9.357 -0.265 -2.760 1.00 0.21 H new ATOM 0 HB1 ALA A 171 11.013 1.494 -3.205 1.00 0.21 H new ATOM 0 HB2 ALA A 171 10.826 1.195 -1.461 1.00 0.21 H new ATOM 0 HB3 ALA A 171 12.244 0.556 -2.326 1.00 0.21 H new ATOM 354 N ARG A 172 9.991 -1.862 -4.638 1.00 0.26 N ATOM 355 CA ARG A 172 10.278 -2.544 -5.880 1.00 0.29 C ATOM 356 C ARG A 172 10.352 -1.556 -7.035 1.00 0.27 C ATOM 357 O ARG A 172 9.346 -0.977 -7.440 1.00 0.27 O ATOM 358 CB ARG A 172 9.197 -3.599 -6.128 1.00 0.33 C ATOM 359 CG ARG A 172 9.299 -4.809 -5.213 1.00 0.46 C ATOM 360 CD ARG A 172 10.611 -5.551 -5.409 1.00 0.56 C ATOM 361 NE ARG A 172 10.693 -6.758 -4.587 1.00 1.33 N ATOM 362 CZ ARG A 172 11.756 -7.562 -4.557 1.00 1.81 C ATOM 363 NH1 ARG A 172 12.818 -7.290 -5.304 1.00 1.58 N ATOM 364 NH2 ARG A 172 11.753 -8.641 -3.784 1.00 2.81 N ATOM 0 H ARG A 172 9.054 -2.037 -4.276 1.00 0.26 H new ATOM 0 HA ARG A 172 11.249 -3.034 -5.810 1.00 0.29 H new ATOM 0 HB2 ARG A 172 8.217 -3.139 -5.999 1.00 0.33 H new ATOM 0 HB3 ARG A 172 9.259 -3.932 -7.164 1.00 0.33 H new ATOM 0 HG2 ARG A 172 9.213 -4.489 -4.175 1.00 0.46 H new ATOM 0 HG3 ARG A 172 8.466 -5.484 -5.408 1.00 0.46 H new ATOM 0 HD2 ARG A 172 10.720 -5.821 -6.459 1.00 0.56 H new ATOM 0 HD3 ARG A 172 11.441 -4.889 -5.162 1.00 0.56 H new ATOM 0 HE ARG A 172 9.891 -6.998 -4.004 1.00 1.33 H new ATOM 0 HH11 ARG A 172 12.822 -6.464 -5.903 1.00 1.58 H new ATOM 0 HH12 ARG A 172 13.630 -7.907 -5.279 1.00 1.58 H new ATOM 0 HH21 ARG A 172 10.937 -8.856 -3.212 1.00 2.81 H new ATOM 0 HH22 ARG A 172 12.567 -9.255 -3.762 1.00 2.81 H new ATOM 378 N CYS A 173 11.556 -1.370 -7.554 1.00 0.30 N ATOM 379 CA CYS A 173 11.777 -0.473 -8.674 1.00 0.32 C ATOM 380 C CYS A 173 11.400 -1.174 -9.970 1.00 0.31 C ATOM 381 O CYS A 173 11.979 -2.205 -10.318 1.00 0.41 O ATOM 382 CB CYS A 173 13.240 -0.041 -8.712 1.00 0.40 C ATOM 383 SG CYS A 173 13.870 0.577 -7.134 1.00 1.44 S ATOM 0 H CYS A 173 12.399 -1.832 -7.214 1.00 0.30 H new ATOM 0 HA CYS A 173 11.154 0.414 -8.556 1.00 0.32 H new ATOM 0 HB2 CYS A 173 13.849 -0.888 -9.027 1.00 0.40 H new ATOM 0 HB3 CYS A 173 13.359 0.736 -9.467 1.00 0.40 H new ATOM 0 HG CYS A 173 13.198 0.041 -6.159 1.00 1.44 H new ATOM 389 N GLY A 174 10.420 -0.629 -10.668 1.00 0.30 N ATOM 390 CA GLY A 174 9.921 -1.272 -11.862 1.00 0.33 C ATOM 391 C GLY A 174 8.693 -2.092 -11.555 1.00 0.30 C ATOM 392 O GLY A 174 8.295 -2.963 -12.329 1.00 0.43 O ATOM 0 H GLY A 174 9.960 0.249 -10.429 1.00 0.30 H new ATOM 0 HA2 GLY A 174 9.683 -0.519 -12.613 1.00 0.33 H new ATOM 0 HA3 GLY A 174 10.695 -1.912 -12.286 1.00 0.33 H new ATOM 396 N VAL A 175 8.094 -1.802 -10.412 1.00 0.25 N ATOM 397 CA VAL A 175 6.917 -2.508 -9.947 1.00 0.28 C ATOM 398 C VAL A 175 5.823 -1.525 -9.581 1.00 0.26 C ATOM 399 O VAL A 175 6.045 -0.590 -8.810 1.00 0.35 O ATOM 400 CB VAL A 175 7.236 -3.403 -8.731 1.00 0.35 C ATOM 401 CG1 VAL A 175 5.969 -3.795 -7.987 1.00 0.69 C ATOM 402 CG2 VAL A 175 7.955 -4.657 -9.175 1.00 0.97 C ATOM 0 H VAL A 175 8.413 -1.068 -9.780 1.00 0.25 H new ATOM 0 HA VAL A 175 6.576 -3.147 -10.761 1.00 0.28 H new ATOM 0 HB VAL A 175 7.875 -2.829 -8.060 1.00 0.35 H new ATOM 0 HG11 VAL A 175 6.227 -4.425 -7.136 1.00 0.69 H new ATOM 0 HG12 VAL A 175 5.462 -2.897 -7.633 1.00 0.69 H new ATOM 0 HG13 VAL A 175 5.308 -4.344 -8.658 1.00 0.69 H new ATOM 0 HG21 VAL A 175 8.173 -5.278 -8.306 1.00 0.97 H new ATOM 0 HG22 VAL A 175 7.324 -5.212 -9.869 1.00 0.97 H new ATOM 0 HG23 VAL A 175 8.887 -4.386 -9.671 1.00 0.97 H new ATOM 412 N THR A 176 4.652 -1.730 -10.148 1.00 0.22 N ATOM 413 CA THR A 176 3.507 -0.921 -9.814 1.00 0.25 C ATOM 414 C THR A 176 3.036 -1.248 -8.404 1.00 0.23 C ATOM 415 O THR A 176 3.204 -2.390 -7.940 1.00 0.25 O ATOM 416 CB THR A 176 2.359 -1.143 -10.814 1.00 0.31 C ATOM 417 OG1 THR A 176 2.092 -2.545 -10.940 1.00 0.47 O ATOM 418 CG2 THR A 176 2.711 -0.570 -12.177 1.00 0.40 C ATOM 0 H THR A 176 4.472 -2.453 -10.844 1.00 0.22 H new ATOM 0 HA THR A 176 3.804 0.126 -9.865 1.00 0.25 H new ATOM 0 HB THR A 176 1.473 -0.631 -10.439 1.00 0.31 H new ATOM 0 HG1 THR A 176 1.476 -2.695 -11.687 1.00 0.47 H new ATOM 0 HG21 THR A 176 1.884 -0.739 -12.867 1.00 0.40 H new ATOM 0 HG22 THR A 176 2.894 0.501 -12.085 1.00 0.40 H new ATOM 0 HG23 THR A 176 3.607 -1.060 -12.557 1.00 0.40 H new ATOM 426 N VAL A 177 2.479 -0.264 -7.709 1.00 0.25 N ATOM 427 CA VAL A 177 1.989 -0.479 -6.358 1.00 0.27 C ATOM 428 C VAL A 177 1.104 -1.717 -6.319 1.00 0.24 C ATOM 429 O VAL A 177 1.191 -2.522 -5.400 1.00 0.28 O ATOM 430 CB VAL A 177 1.209 0.746 -5.807 1.00 0.34 C ATOM 431 CG1 VAL A 177 -0.058 1.012 -6.595 1.00 1.20 C ATOM 432 CG2 VAL A 177 0.890 0.557 -4.332 1.00 1.39 C ATOM 0 H VAL A 177 2.357 0.686 -8.059 1.00 0.25 H new ATOM 0 HA VAL A 177 2.859 -0.623 -5.717 1.00 0.27 H new ATOM 0 HB VAL A 177 1.852 1.619 -5.920 1.00 0.34 H new ATOM 0 HG11 VAL A 177 -0.572 1.877 -6.176 1.00 1.20 H new ATOM 0 HG12 VAL A 177 0.196 1.210 -7.636 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -0.710 0.140 -6.540 1.00 1.20 H new ATOM 0 HG21 VAL A 177 0.343 1.425 -3.964 1.00 1.39 H new ATOM 0 HG22 VAL A 177 0.280 -0.337 -4.203 1.00 1.39 H new ATOM 0 HG23 VAL A 177 1.818 0.447 -3.770 1.00 1.39 H new ATOM 442 N ARG A 178 0.325 -1.897 -7.381 1.00 0.23 N ATOM 443 CA ARG A 178 -0.669 -2.950 -7.453 1.00 0.26 C ATOM 444 C ARG A 178 -0.059 -4.327 -7.268 1.00 0.23 C ATOM 445 O ARG A 178 -0.679 -5.200 -6.691 1.00 0.33 O ATOM 446 CB ARG A 178 -1.421 -2.857 -8.783 1.00 0.39 C ATOM 447 CG ARG A 178 -0.649 -3.324 -10.010 1.00 0.85 C ATOM 448 CD ARG A 178 -0.856 -4.804 -10.294 1.00 1.65 C ATOM 449 NE ARG A 178 -2.241 -5.109 -10.642 1.00 2.02 N ATOM 450 CZ ARG A 178 -2.595 -6.033 -11.532 1.00 2.82 C ATOM 451 NH1 ARG A 178 -1.666 -6.740 -12.165 1.00 3.53 N ATOM 452 NH2 ARG A 178 -3.876 -6.249 -11.791 1.00 3.28 N ATOM 0 H ARG A 178 0.369 -1.312 -8.216 1.00 0.23 H new ATOM 0 HA ARG A 178 -1.371 -2.808 -6.632 1.00 0.26 H new ATOM 0 HB2 ARG A 178 -2.335 -3.446 -8.705 1.00 0.39 H new ATOM 0 HB3 ARG A 178 -1.722 -1.821 -8.938 1.00 0.39 H new ATOM 0 HG2 ARG A 178 -0.963 -2.743 -10.877 1.00 0.85 H new ATOM 0 HG3 ARG A 178 0.413 -3.130 -9.864 1.00 0.85 H new ATOM 0 HD2 ARG A 178 -0.202 -5.111 -11.110 1.00 1.65 H new ATOM 0 HD3 ARG A 178 -0.567 -5.385 -9.418 1.00 1.65 H new ATOM 0 HE ARG A 178 -2.980 -4.583 -10.176 1.00 2.02 H new ATOM 0 HH11 ARG A 178 -0.679 -6.575 -11.969 1.00 3.53 H new ATOM 0 HH12 ARG A 178 -1.940 -7.448 -12.847 1.00 3.53 H new ATOM 0 HH21 ARG A 178 -4.592 -5.707 -11.308 1.00 3.28 H new ATOM 0 HH22 ARG A 178 -4.146 -6.957 -12.473 1.00 3.28 H new ATOM 466 N ASP A 179 1.150 -4.513 -7.758 1.00 0.20 N ATOM 467 CA ASP A 179 1.815 -5.806 -7.652 1.00 0.19 C ATOM 468 C ASP A 179 2.347 -5.995 -6.240 1.00 0.17 C ATOM 469 O ASP A 179 2.078 -7.003 -5.567 1.00 0.18 O ATOM 470 CB ASP A 179 2.964 -5.892 -8.660 1.00 0.23 C ATOM 471 CG ASP A 179 3.537 -7.291 -8.795 1.00 0.32 C ATOM 472 OD1 ASP A 179 4.401 -7.675 -7.979 1.00 1.12 O ATOM 473 OD2 ASP A 179 3.140 -8.007 -9.739 1.00 1.19 O ATOM 0 H ASP A 179 1.694 -3.792 -8.232 1.00 0.20 H new ATOM 0 HA ASP A 179 1.096 -6.595 -7.872 1.00 0.19 H new ATOM 0 HB2 ASP A 179 2.610 -5.556 -9.634 1.00 0.23 H new ATOM 0 HB3 ASP A 179 3.757 -5.209 -8.356 1.00 0.23 H new ATOM 478 N SER A 180 3.054 -4.986 -5.779 1.00 0.17 N ATOM 479 CA SER A 180 3.693 -5.031 -4.483 1.00 0.18 C ATOM 480 C SER A 180 2.656 -5.205 -3.375 1.00 0.17 C ATOM 481 O SER A 180 2.720 -6.145 -2.563 1.00 0.19 O ATOM 482 CB SER A 180 4.497 -3.746 -4.311 1.00 0.22 C ATOM 483 OG SER A 180 3.913 -2.688 -5.050 1.00 1.34 O ATOM 0 H SER A 180 3.201 -4.115 -6.290 1.00 0.17 H new ATOM 0 HA SER A 180 4.363 -5.888 -4.417 1.00 0.18 H new ATOM 0 HB2 SER A 180 4.542 -3.478 -3.256 1.00 0.22 H new ATOM 0 HB3 SER A 180 5.523 -3.906 -4.643 1.00 0.22 H new ATOM 0 HG SER A 180 2.940 -2.707 -4.935 1.00 1.34 H new ATOM 489 N LEU A 181 1.663 -4.341 -3.359 1.00 0.17 N ATOM 490 CA LEU A 181 0.688 -4.423 -2.313 1.00 0.18 C ATOM 491 C LEU A 181 -0.485 -5.357 -2.660 1.00 0.18 C ATOM 492 O LEU A 181 -1.389 -5.523 -1.850 1.00 0.20 O ATOM 493 CB LEU A 181 0.263 -3.019 -1.834 1.00 0.24 C ATOM 494 CG LEU A 181 -0.923 -2.298 -2.491 1.00 0.35 C ATOM 495 CD1 LEU A 181 -1.185 -2.744 -3.908 1.00 1.08 C ATOM 496 CD2 LEU A 181 -2.162 -2.446 -1.635 1.00 0.96 C ATOM 0 H LEU A 181 1.518 -3.597 -4.041 1.00 0.17 H new ATOM 0 HA LEU A 181 1.162 -4.901 -1.456 1.00 0.18 H new ATOM 0 HB2 LEU A 181 0.044 -3.095 -0.769 1.00 0.24 H new ATOM 0 HB3 LEU A 181 1.131 -2.368 -1.935 1.00 0.24 H new ATOM 0 HG LEU A 181 -0.654 -1.244 -2.557 1.00 0.35 H new ATOM 0 HD11 LEU A 181 -2.036 -2.194 -4.311 1.00 1.08 H new ATOM 0 HD12 LEU A 181 -0.304 -2.549 -4.520 1.00 1.08 H new ATOM 0 HD13 LEU A 181 -1.405 -3.812 -3.919 1.00 1.08 H new ATOM 0 HD21 LEU A 181 -2.997 -1.931 -2.111 1.00 0.96 H new ATOM 0 HD22 LEU A 181 -2.404 -3.503 -1.524 1.00 0.96 H new ATOM 0 HD23 LEU A 181 -1.980 -2.011 -0.652 1.00 0.96 H new ATOM 508 N LYS A 182 -0.490 -5.994 -3.843 1.00 0.18 N ATOM 509 CA LYS A 182 -1.451 -7.081 -4.041 1.00 0.22 C ATOM 510 C LYS A 182 -1.034 -8.229 -3.158 1.00 0.22 C ATOM 511 O LYS A 182 -1.876 -8.932 -2.601 1.00 0.25 O ATOM 512 CB LYS A 182 -1.595 -7.572 -5.487 1.00 0.32 C ATOM 513 CG LYS A 182 -0.424 -8.379 -6.000 1.00 0.75 C ATOM 514 CD LYS A 182 -0.772 -9.127 -7.279 1.00 0.76 C ATOM 515 CE LYS A 182 -1.283 -8.195 -8.364 1.00 0.80 C ATOM 516 NZ LYS A 182 -1.682 -8.939 -9.586 1.00 1.15 N ATOM 0 H LYS A 182 0.123 -5.789 -4.632 1.00 0.18 H new ATOM 0 HA LYS A 182 -2.432 -6.684 -3.782 1.00 0.22 H new ATOM 0 HB2 LYS A 182 -2.497 -8.179 -5.562 1.00 0.32 H new ATOM 0 HB3 LYS A 182 -1.736 -6.709 -6.137 1.00 0.32 H new ATOM 0 HG2 LYS A 182 0.421 -7.716 -6.185 1.00 0.75 H new ATOM 0 HG3 LYS A 182 -0.110 -9.091 -5.236 1.00 0.75 H new ATOM 0 HD2 LYS A 182 0.110 -9.655 -7.641 1.00 0.76 H new ATOM 0 HD3 LYS A 182 -1.529 -9.881 -7.063 1.00 0.76 H new ATOM 0 HE2 LYS A 182 -2.136 -7.631 -7.987 1.00 0.80 H new ATOM 0 HE3 LYS A 182 -0.508 -7.471 -8.616 1.00 0.80 H new ATOM 0 HZ1 LYS A 182 -2.294 -8.338 -10.174 1.00 1.15 H new ATOM 0 HZ2 LYS A 182 -0.833 -9.201 -10.126 1.00 1.15 H new ATOM 0 HZ3 LYS A 182 -2.199 -9.800 -9.315 1.00 1.15 H new ATOM 530 N LYS A 183 0.281 -8.408 -3.009 1.00 0.22 N ATOM 531 CA LYS A 183 0.769 -9.358 -2.030 1.00 0.25 C ATOM 532 C LYS A 183 0.397 -8.879 -0.639 1.00 0.23 C ATOM 533 O LYS A 183 0.054 -9.680 0.221 1.00 0.26 O ATOM 534 CB LYS A 183 2.274 -9.585 -2.111 1.00 0.33 C ATOM 535 CG LYS A 183 2.747 -10.550 -1.043 1.00 0.40 C ATOM 536 CD LYS A 183 3.953 -11.356 -1.469 1.00 1.18 C ATOM 537 CE LYS A 183 5.239 -10.572 -1.306 1.00 1.31 C ATOM 538 NZ LYS A 183 6.423 -11.371 -1.713 1.00 1.80 N ATOM 0 H LYS A 183 1.002 -7.919 -3.541 1.00 0.22 H new ATOM 0 HA LYS A 183 0.297 -10.316 -2.249 1.00 0.25 H new ATOM 0 HB2 LYS A 183 2.532 -9.975 -3.096 1.00 0.33 H new ATOM 0 HB3 LYS A 183 2.793 -8.633 -1.999 1.00 0.33 H new ATOM 0 HG2 LYS A 183 2.990 -9.992 -0.139 1.00 0.40 H new ATOM 0 HG3 LYS A 183 1.934 -11.230 -0.789 1.00 0.40 H new ATOM 0 HD2 LYS A 183 4.007 -12.270 -0.877 1.00 1.18 H new ATOM 0 HD3 LYS A 183 3.840 -11.657 -2.511 1.00 1.18 H new ATOM 0 HE2 LYS A 183 5.190 -9.663 -1.905 1.00 1.31 H new ATOM 0 HE3 LYS A 183 5.348 -10.263 -0.266 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 7.285 -10.803 -1.588 1.00 1.80 H new ATOM 0 HZ2 LYS A 183 6.484 -12.226 -1.124 1.00 1.80 H new ATOM 0 HZ3 LYS A 183 6.330 -11.644 -2.712 1.00 1.80 H new ATOM 552 N ALA A 184 0.473 -7.567 -0.421 1.00 0.23 N ATOM 553 CA ALA A 184 -0.013 -6.982 0.831 1.00 0.26 C ATOM 554 C ALA A 184 -1.421 -7.493 1.155 1.00 0.25 C ATOM 555 O ALA A 184 -1.658 -8.042 2.235 1.00 0.29 O ATOM 556 CB ALA A 184 -0.010 -5.467 0.746 1.00 0.30 C ATOM 0 H ALA A 184 0.861 -6.896 -1.084 1.00 0.23 H new ATOM 0 HA ALA A 184 0.658 -7.287 1.634 1.00 0.26 H new ATOM 0 HB1 ALA A 184 -0.374 -5.049 1.685 1.00 0.30 H new ATOM 0 HB2 ALA A 184 1.005 -5.115 0.561 1.00 0.30 H new ATOM 0 HB3 ALA A 184 -0.659 -5.147 -0.069 1.00 0.30 H new ATOM 562 N LEU A 185 -2.345 -7.328 0.209 1.00 0.23 N ATOM 563 CA LEU A 185 -3.709 -7.833 0.363 1.00 0.26 C ATOM 564 C LEU A 185 -3.713 -9.344 0.578 1.00 0.24 C ATOM 565 O LEU A 185 -4.272 -9.834 1.557 1.00 0.27 O ATOM 566 CB LEU A 185 -4.571 -7.500 -0.864 1.00 0.31 C ATOM 567 CG LEU A 185 -5.225 -6.112 -0.889 1.00 0.50 C ATOM 568 CD1 LEU A 185 -5.979 -5.841 0.397 1.00 1.46 C ATOM 569 CD2 LEU A 185 -4.204 -5.027 -1.138 1.00 1.11 C ATOM 0 H LEU A 185 -2.173 -6.847 -0.674 1.00 0.23 H new ATOM 0 HA LEU A 185 -4.132 -7.342 1.239 1.00 0.26 H new ATOM 0 HB2 LEU A 185 -3.950 -7.600 -1.754 1.00 0.31 H new ATOM 0 HB3 LEU A 185 -5.359 -8.249 -0.940 1.00 0.31 H new ATOM 0 HG LEU A 185 -5.937 -6.103 -1.714 1.00 0.50 H new ATOM 0 HD11 LEU A 185 -6.432 -4.851 0.351 1.00 1.46 H new ATOM 0 HD12 LEU A 185 -6.759 -6.591 0.526 1.00 1.46 H new ATOM 0 HD13 LEU A 185 -5.289 -5.886 1.240 1.00 1.46 H new ATOM 0 HD21 LEU A 185 -4.700 -4.056 -1.150 1.00 1.11 H new ATOM 0 HD22 LEU A 185 -3.456 -5.043 -0.345 1.00 1.11 H new ATOM 0 HD23 LEU A 185 -3.718 -5.198 -2.099 1.00 1.11 H new ATOM 581 N MET A 186 -3.067 -10.066 -0.333 1.00 0.22 N ATOM 582 CA MET A 186 -3.068 -11.533 -0.326 1.00 0.26 C ATOM 583 C MET A 186 -2.480 -12.106 0.960 1.00 0.29 C ATOM 584 O MET A 186 -2.808 -13.224 1.354 1.00 0.34 O ATOM 585 CB MET A 186 -2.294 -12.070 -1.531 1.00 0.30 C ATOM 586 CG MET A 186 -3.011 -11.903 -2.865 1.00 0.35 C ATOM 587 SD MET A 186 -4.033 -13.327 -3.313 1.00 0.98 S ATOM 588 CE MET A 186 -5.307 -13.281 -2.053 1.00 1.45 C ATOM 0 H MET A 186 -2.529 -9.656 -1.096 1.00 0.22 H new ATOM 0 HA MET A 186 -4.109 -11.852 -0.385 1.00 0.26 H new ATOM 0 HB2 MET A 186 -1.331 -11.563 -1.584 1.00 0.30 H new ATOM 0 HB3 MET A 186 -2.088 -13.129 -1.373 1.00 0.30 H new ATOM 0 HG2 MET A 186 -3.639 -11.013 -2.823 1.00 0.35 H new ATOM 0 HG3 MET A 186 -2.272 -11.735 -3.648 1.00 0.35 H new ATOM 0 HE1 MET A 186 -6.080 -14.012 -2.290 1.00 1.45 H new ATOM 0 HE2 MET A 186 -4.869 -13.518 -1.084 1.00 1.45 H new ATOM 0 HE3 MET A 186 -5.748 -12.285 -2.018 1.00 1.45 H new ATOM 598 N MET A 187 -1.633 -11.335 1.621 1.00 0.30 N ATOM 599 CA MET A 187 -1.002 -11.783 2.851 1.00 0.37 C ATOM 600 C MET A 187 -1.987 -11.661 4.000 1.00 0.40 C ATOM 601 O MET A 187 -2.083 -12.544 4.851 1.00 0.53 O ATOM 602 CB MET A 187 0.267 -10.979 3.149 1.00 0.44 C ATOM 603 CG MET A 187 1.481 -11.363 2.307 1.00 0.49 C ATOM 604 SD MET A 187 2.004 -13.067 2.570 1.00 0.72 S ATOM 605 CE MET A 187 3.645 -13.013 1.856 1.00 0.85 C ATOM 0 H MET A 187 -1.366 -10.396 1.326 1.00 0.30 H new ATOM 0 HA MET A 187 -0.711 -12.827 2.731 1.00 0.37 H new ATOM 0 HB2 MET A 187 0.055 -9.921 2.994 1.00 0.44 H new ATOM 0 HB3 MET A 187 0.519 -11.102 4.202 1.00 0.44 H new ATOM 0 HG2 MET A 187 1.246 -11.219 1.252 1.00 0.49 H new ATOM 0 HG3 MET A 187 2.308 -10.693 2.544 1.00 0.49 H new ATOM 0 HE1 MET A 187 3.718 -13.749 1.056 1.00 0.85 H new ATOM 0 HE2 MET A 187 3.834 -12.018 1.452 1.00 0.85 H new ATOM 0 HE3 MET A 187 4.384 -13.238 2.625 1.00 0.85 H new ATOM 615 N ARG A 188 -2.731 -10.559 4.007 1.00 0.35 N ATOM 616 CA ARG A 188 -3.808 -10.365 4.959 1.00 0.41 C ATOM 617 C ARG A 188 -4.976 -11.300 4.620 1.00 0.41 C ATOM 618 O ARG A 188 -5.844 -11.565 5.452 1.00 0.50 O ATOM 619 CB ARG A 188 -4.265 -8.903 4.941 1.00 0.47 C ATOM 620 CG ARG A 188 -5.072 -8.517 6.166 1.00 0.79 C ATOM 621 CD ARG A 188 -4.250 -8.636 7.437 1.00 0.63 C ATOM 622 NE ARG A 188 -5.100 -8.762 8.620 1.00 1.20 N ATOM 623 CZ ARG A 188 -4.690 -9.271 9.781 1.00 1.43 C ATOM 624 NH1 ARG A 188 -3.426 -9.642 9.941 1.00 1.42 N ATOM 625 NH2 ARG A 188 -5.545 -9.395 10.790 1.00 2.12 N ATOM 0 H ARG A 188 -2.602 -9.784 3.357 1.00 0.35 H new ATOM 0 HA ARG A 188 -3.451 -10.603 5.961 1.00 0.41 H new ATOM 0 HB2 ARG A 188 -3.391 -8.256 4.871 1.00 0.47 H new ATOM 0 HB3 ARG A 188 -4.865 -8.727 4.048 1.00 0.47 H new ATOM 0 HG2 ARG A 188 -5.431 -7.493 6.058 1.00 0.79 H new ATOM 0 HG3 ARG A 188 -5.951 -9.157 6.240 1.00 0.79 H new ATOM 0 HD2 ARG A 188 -3.594 -9.503 7.366 1.00 0.63 H new ATOM 0 HD3 ARG A 188 -3.610 -7.760 7.540 1.00 0.63 H new ATOM 0 HE ARG A 188 -6.066 -8.441 8.552 1.00 1.20 H new ATOM 0 HH11 ARG A 188 -2.763 -9.538 9.173 1.00 1.42 H new ATOM 0 HH12 ARG A 188 -3.118 -10.031 10.832 1.00 1.42 H new ATOM 0 HH21 ARG A 188 -6.515 -9.101 10.676 1.00 2.12 H new ATOM 0 HH22 ARG A 188 -5.232 -9.785 11.679 1.00 2.12 H new ATOM 639 N GLY A 189 -4.975 -11.801 3.386 1.00 0.37 N ATOM 640 CA GLY A 189 -5.987 -12.748 2.945 1.00 0.42 C ATOM 641 C GLY A 189 -7.027 -12.118 2.038 1.00 0.43 C ATOM 642 O GLY A 189 -7.991 -12.770 1.634 1.00 0.53 O ATOM 0 H GLY A 189 -4.282 -11.564 2.676 1.00 0.37 H new ATOM 0 HA2 GLY A 189 -5.503 -13.571 2.419 1.00 0.42 H new ATOM 0 HA3 GLY A 189 -6.483 -13.175 3.817 1.00 0.42 H new ATOM 646 N LEU A 190 -6.828 -10.854 1.714 1.00 0.37 N ATOM 647 CA LEU A 190 -7.766 -10.102 0.902 1.00 0.40 C ATOM 648 C LEU A 190 -7.280 -9.970 -0.538 1.00 0.35 C ATOM 649 O LEU A 190 -6.179 -10.399 -0.875 1.00 0.37 O ATOM 650 CB LEU A 190 -7.963 -8.715 1.511 1.00 0.45 C ATOM 651 CG LEU A 190 -8.568 -8.710 2.913 1.00 0.61 C ATOM 652 CD1 LEU A 190 -7.521 -8.984 3.970 1.00 1.05 C ATOM 653 CD2 LEU A 190 -9.255 -7.396 3.195 1.00 1.28 C ATOM 0 H LEU A 190 -6.010 -10.319 2.007 1.00 0.37 H new ATOM 0 HA LEU A 190 -8.713 -10.641 0.886 1.00 0.40 H new ATOM 0 HB2 LEU A 190 -6.998 -8.209 1.545 1.00 0.45 H new ATOM 0 HB3 LEU A 190 -8.606 -8.132 0.851 1.00 0.45 H new ATOM 0 HG LEU A 190 -9.307 -9.511 2.951 1.00 0.61 H new ATOM 0 HD11 LEU A 190 -7.987 -8.973 4.955 1.00 1.05 H new ATOM 0 HD12 LEU A 190 -7.071 -9.961 3.792 1.00 1.05 H new ATOM 0 HD13 LEU A 190 -6.749 -8.216 3.925 1.00 1.05 H new ATOM 0 HD21 LEU A 190 -9.679 -7.415 4.199 1.00 1.28 H new ATOM 0 HD22 LEU A 190 -8.531 -6.584 3.122 1.00 1.28 H new ATOM 0 HD23 LEU A 190 -10.052 -7.239 2.468 1.00 1.28 H new ATOM 665 N ILE A 191 -8.116 -9.382 -1.380 1.00 0.37 N ATOM 666 CA ILE A 191 -7.776 -9.142 -2.768 1.00 0.35 C ATOM 667 C ILE A 191 -7.806 -7.645 -3.072 1.00 0.36 C ATOM 668 O ILE A 191 -8.678 -6.914 -2.594 1.00 0.39 O ATOM 669 CB ILE A 191 -8.737 -9.879 -3.727 1.00 0.39 C ATOM 670 CG1 ILE A 191 -10.178 -9.389 -3.538 1.00 0.45 C ATOM 671 CG2 ILE A 191 -8.649 -11.380 -3.495 1.00 0.41 C ATOM 672 CD1 ILE A 191 -11.129 -9.875 -4.602 1.00 0.52 C ATOM 0 H ILE A 191 -9.047 -9.059 -1.118 1.00 0.37 H new ATOM 0 HA ILE A 191 -6.769 -9.529 -2.927 1.00 0.35 H new ATOM 0 HB ILE A 191 -8.440 -9.662 -4.753 1.00 0.39 H new ATOM 0 HG12 ILE A 191 -10.539 -9.717 -2.563 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -10.183 -8.299 -3.529 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -9.329 -11.894 -4.174 1.00 0.41 H new ATOM 0 HG22 ILE A 191 -7.629 -11.717 -3.679 1.00 0.41 H new ATOM 0 HG23 ILE A 191 -8.926 -11.606 -2.465 1.00 0.41 H new ATOM 0 HD11 ILE A 191 -12.128 -9.488 -4.401 1.00 0.52 H new ATOM 0 HD12 ILE A 191 -10.793 -9.524 -5.578 1.00 0.52 H new ATOM 0 HD13 ILE A 191 -11.154 -10.965 -4.597 1.00 0.52 H new ATOM 684 N PRO A 192 -6.836 -7.175 -3.868 1.00 0.39 N ATOM 685 CA PRO A 192 -6.710 -5.758 -4.238 1.00 0.43 C ATOM 686 C PRO A 192 -7.829 -5.296 -5.163 1.00 0.41 C ATOM 687 O PRO A 192 -8.038 -4.100 -5.356 1.00 0.46 O ATOM 688 CB PRO A 192 -5.365 -5.703 -4.964 1.00 0.52 C ATOM 689 CG PRO A 192 -5.169 -7.078 -5.491 1.00 0.48 C ATOM 690 CD PRO A 192 -5.768 -7.994 -4.465 1.00 0.43 C ATOM 0 HA PRO A 192 -6.772 -5.104 -3.369 1.00 0.43 H new ATOM 0 HB2 PRO A 192 -5.378 -4.968 -5.769 1.00 0.52 H new ATOM 0 HB3 PRO A 192 -4.560 -5.419 -4.286 1.00 0.52 H new ATOM 0 HG2 PRO A 192 -5.657 -7.200 -6.458 1.00 0.48 H new ATOM 0 HG3 PRO A 192 -4.111 -7.294 -5.639 1.00 0.48 H new ATOM 0 HD2 PRO A 192 -6.163 -8.903 -4.918 1.00 0.43 H new ATOM 0 HD3 PRO A 192 -5.033 -8.302 -3.721 1.00 0.43 H new ATOM 698 N GLU A 193 -8.548 -6.259 -5.722 1.00 0.39 N ATOM 699 CA GLU A 193 -9.638 -5.975 -6.645 1.00 0.43 C ATOM 700 C GLU A 193 -10.748 -5.195 -5.950 1.00 0.36 C ATOM 701 O GLU A 193 -11.365 -4.306 -6.536 1.00 0.45 O ATOM 702 CB GLU A 193 -10.198 -7.282 -7.199 1.00 0.57 C ATOM 703 CG GLU A 193 -9.130 -8.222 -7.729 1.00 0.99 C ATOM 704 CD GLU A 193 -9.712 -9.482 -8.327 1.00 1.20 C ATOM 705 OE1 GLU A 193 -9.471 -10.574 -7.776 1.00 1.73 O ATOM 706 OE2 GLU A 193 -10.429 -9.381 -9.346 1.00 1.74 O ATOM 0 H GLU A 193 -8.394 -7.253 -5.550 1.00 0.39 H new ATOM 0 HA GLU A 193 -9.248 -5.368 -7.462 1.00 0.43 H new ATOM 0 HB2 GLU A 193 -10.760 -7.789 -6.414 1.00 0.57 H new ATOM 0 HB3 GLU A 193 -10.902 -7.056 -8.000 1.00 0.57 H new ATOM 0 HG2 GLU A 193 -8.538 -7.705 -8.484 1.00 0.99 H new ATOM 0 HG3 GLU A 193 -8.451 -8.488 -6.919 1.00 0.99 H new ATOM 713 N CYS A 194 -10.989 -5.527 -4.694 1.00 0.33 N ATOM 714 CA CYS A 194 -12.038 -4.880 -3.922 1.00 0.36 C ATOM 715 C CYS A 194 -11.449 -3.832 -2.980 1.00 0.33 C ATOM 716 O CYS A 194 -12.104 -3.383 -2.042 1.00 0.49 O ATOM 717 CB CYS A 194 -12.821 -5.932 -3.135 1.00 0.48 C ATOM 718 SG CYS A 194 -13.646 -7.160 -4.177 1.00 1.69 S ATOM 0 H CYS A 194 -10.471 -6.243 -4.185 1.00 0.33 H new ATOM 0 HA CYS A 194 -12.716 -4.371 -4.607 1.00 0.36 H new ATOM 0 HB2 CYS A 194 -12.140 -6.445 -2.455 1.00 0.48 H new ATOM 0 HB3 CYS A 194 -13.568 -5.430 -2.520 1.00 0.48 H new ATOM 0 HG CYS A 194 -14.281 -8.010 -3.426 1.00 1.69 H new ATOM 724 N CYS A 195 -10.215 -3.430 -3.251 1.00 0.27 N ATOM 725 CA CYS A 195 -9.521 -2.470 -2.409 1.00 0.25 C ATOM 726 C CYS A 195 -8.951 -1.330 -3.245 1.00 0.23 C ATOM 727 O CYS A 195 -8.757 -1.471 -4.453 1.00 0.29 O ATOM 728 CB CYS A 195 -8.401 -3.173 -1.628 1.00 0.28 C ATOM 729 SG CYS A 195 -8.996 -4.411 -0.454 1.00 0.52 S ATOM 0 H CYS A 195 -9.673 -3.756 -4.051 1.00 0.27 H new ATOM 0 HA CYS A 195 -10.235 -2.047 -1.702 1.00 0.25 H new ATOM 0 HB2 CYS A 195 -7.724 -3.652 -2.335 1.00 0.28 H new ATOM 0 HB3 CYS A 195 -7.821 -2.424 -1.089 1.00 0.28 H new ATOM 0 HG CYS A 195 -8.996 -5.581 -1.020 1.00 0.52 H new ATOM 735 N ALA A 196 -8.727 -0.195 -2.605 1.00 0.26 N ATOM 736 CA ALA A 196 -8.059 0.931 -3.230 1.00 0.26 C ATOM 737 C ALA A 196 -6.869 1.340 -2.388 1.00 0.25 C ATOM 738 O ALA A 196 -6.814 1.042 -1.196 1.00 0.39 O ATOM 739 CB ALA A 196 -8.997 2.107 -3.396 1.00 0.37 C ATOM 0 H ALA A 196 -9.004 -0.029 -1.637 1.00 0.26 H new ATOM 0 HA ALA A 196 -7.726 0.625 -4.222 1.00 0.26 H new ATOM 0 HB1 ALA A 196 -8.465 2.933 -3.867 1.00 0.37 H new ATOM 0 HB2 ALA A 196 -9.840 1.814 -4.022 1.00 0.37 H new ATOM 0 HB3 ALA A 196 -9.363 2.421 -2.419 1.00 0.37 H new ATOM 745 N VAL A 197 -5.923 2.021 -2.999 1.00 0.23 N ATOM 746 CA VAL A 197 -4.715 2.416 -2.291 1.00 0.23 C ATOM 747 C VAL A 197 -4.700 3.910 -1.987 1.00 0.24 C ATOM 748 O VAL A 197 -5.084 4.745 -2.811 1.00 0.36 O ATOM 749 CB VAL A 197 -3.444 2.032 -3.069 1.00 0.29 C ATOM 750 CG1 VAL A 197 -2.185 2.478 -2.339 1.00 0.94 C ATOM 751 CG2 VAL A 197 -3.424 0.540 -3.291 1.00 1.06 C ATOM 0 H VAL A 197 -5.962 2.313 -3.976 1.00 0.23 H new ATOM 0 HA VAL A 197 -4.721 1.870 -1.348 1.00 0.23 H new ATOM 0 HB VAL A 197 -3.461 2.544 -4.031 1.00 0.29 H new ATOM 0 HG11 VAL A 197 -1.307 2.190 -2.918 1.00 0.94 H new ATOM 0 HG12 VAL A 197 -2.200 3.561 -2.217 1.00 0.94 H new ATOM 0 HG13 VAL A 197 -2.145 2.003 -1.359 1.00 0.94 H new ATOM 0 HG21 VAL A 197 -2.524 0.266 -3.842 1.00 1.06 H new ATOM 0 HG22 VAL A 197 -3.430 0.029 -2.328 1.00 1.06 H new ATOM 0 HG23 VAL A 197 -4.304 0.245 -3.863 1.00 1.06 H new ATOM 761 N TYR A 198 -4.245 4.213 -0.790 1.00 0.29 N ATOM 762 CA TYR A 198 -4.165 5.562 -0.270 1.00 0.37 C ATOM 763 C TYR A 198 -2.837 5.764 0.443 1.00 0.45 C ATOM 764 O TYR A 198 -2.062 4.827 0.618 1.00 0.88 O ATOM 765 CB TYR A 198 -5.287 5.806 0.742 1.00 0.93 C ATOM 766 CG TYR A 198 -6.596 6.271 0.158 1.00 0.33 C ATOM 767 CD1 TYR A 198 -7.021 7.567 0.368 1.00 0.69 C ATOM 768 CD2 TYR A 198 -7.413 5.420 -0.573 1.00 0.53 C ATOM 769 CE1 TYR A 198 -8.222 8.018 -0.130 1.00 1.46 C ATOM 770 CE2 TYR A 198 -8.620 5.860 -1.082 1.00 1.18 C ATOM 771 CZ TYR A 198 -9.022 7.160 -0.857 1.00 1.70 C ATOM 772 OH TYR A 198 -10.227 7.603 -1.355 1.00 2.49 O ATOM 0 H TYR A 198 -3.911 3.508 -0.133 1.00 0.29 H new ATOM 0 HA TYR A 198 -4.257 6.255 -1.106 1.00 0.37 H new ATOM 0 HB2 TYR A 198 -5.463 4.882 1.294 1.00 0.93 H new ATOM 0 HB3 TYR A 198 -4.947 6.548 1.464 1.00 0.93 H new ATOM 0 HD1 TYR A 198 -6.398 8.242 0.936 1.00 0.69 H new ATOM 0 HD2 TYR A 198 -7.101 4.401 -0.746 1.00 0.53 H new ATOM 0 HE1 TYR A 198 -8.536 9.036 0.047 1.00 1.46 H new ATOM 0 HE2 TYR A 198 -9.245 5.190 -1.653 1.00 1.18 H new ATOM 0 HH TYR A 198 -10.666 6.876 -1.844 1.00 2.49 H new ATOM 934 N ILE A 208 -3.747 7.078 -4.218 1.00 0.36 N ATOM 935 CA ILE A 208 -2.700 6.879 -5.206 1.00 0.36 C ATOM 936 C ILE A 208 -3.186 5.989 -6.339 1.00 0.32 C ATOM 937 O ILE A 208 -4.178 5.272 -6.199 1.00 0.44 O ATOM 938 CB ILE A 208 -1.484 6.224 -4.543 1.00 0.42 C ATOM 939 CG1 ILE A 208 -1.256 6.856 -3.182 1.00 0.56 C ATOM 940 CG2 ILE A 208 -0.246 6.382 -5.409 1.00 0.52 C ATOM 941 CD1 ILE A 208 -0.386 6.035 -2.274 1.00 0.90 C ATOM 0 HA ILE A 208 -2.426 7.852 -5.614 1.00 0.36 H new ATOM 0 HB ILE A 208 -1.677 5.158 -4.424 1.00 0.42 H new ATOM 0 HG12 ILE A 208 -0.800 7.837 -3.318 1.00 0.56 H new ATOM 0 HG13 ILE A 208 -2.220 7.017 -2.700 1.00 0.56 H new ATOM 0 HG21 ILE A 208 0.604 5.909 -4.918 1.00 0.52 H new ATOM 0 HG22 ILE A 208 -0.416 5.909 -6.376 1.00 0.52 H new ATOM 0 HG23 ILE A 208 -0.037 7.442 -5.555 1.00 0.52 H new ATOM 0 HD11 ILE A 208 -0.268 6.550 -1.320 1.00 0.90 H new ATOM 0 HD12 ILE A 208 -0.850 5.063 -2.107 1.00 0.90 H new ATOM 0 HD13 ILE A 208 0.592 5.896 -2.735 1.00 0.90 H new ATOM 953 N GLY A 209 -2.478 6.032 -7.454 1.00 0.34 N ATOM 954 CA GLY A 209 -2.821 5.198 -8.575 1.00 0.37 C ATOM 955 C GLY A 209 -2.166 3.840 -8.468 1.00 0.31 C ATOM 956 O GLY A 209 -1.020 3.731 -8.040 1.00 0.33 O ATOM 0 H GLY A 209 -1.668 6.634 -7.600 1.00 0.34 H new ATOM 0 HA2 GLY A 209 -3.903 5.079 -8.625 1.00 0.37 H new ATOM 0 HA3 GLY A 209 -2.510 5.683 -9.501 1.00 0.37 H new ATOM 960 N TRP A 210 -2.889 2.808 -8.857 1.00 0.29 N ATOM 961 CA TRP A 210 -2.384 1.444 -8.796 1.00 0.27 C ATOM 962 C TRP A 210 -1.290 1.213 -9.841 1.00 0.27 C ATOM 963 O TRP A 210 -0.572 0.214 -9.790 1.00 0.30 O ATOM 964 CB TRP A 210 -3.537 0.454 -8.987 1.00 0.31 C ATOM 965 CG TRP A 210 -4.474 0.389 -7.814 1.00 0.28 C ATOM 966 CD1 TRP A 210 -5.441 1.293 -7.473 1.00 0.31 C ATOM 967 CD2 TRP A 210 -4.531 -0.646 -6.831 1.00 0.26 C ATOM 968 NE1 TRP A 210 -6.088 0.883 -6.327 1.00 0.30 N ATOM 969 CE2 TRP A 210 -5.547 -0.309 -5.920 1.00 0.26 C ATOM 970 CE3 TRP A 210 -3.818 -1.824 -6.635 1.00 0.29 C ATOM 971 CZ2 TRP A 210 -5.860 -1.115 -4.829 1.00 0.26 C ATOM 972 CZ3 TRP A 210 -4.131 -2.623 -5.555 1.00 0.31 C ATOM 973 CH2 TRP A 210 -5.147 -2.265 -4.663 1.00 0.29 C ATOM 0 H TRP A 210 -3.838 2.887 -9.223 1.00 0.29 H new ATOM 0 HA TRP A 210 -1.939 1.283 -7.814 1.00 0.27 H new ATOM 0 HB2 TRP A 210 -4.101 0.733 -9.877 1.00 0.31 H new ATOM 0 HB3 TRP A 210 -3.126 -0.539 -9.169 1.00 0.31 H new ATOM 0 HD1 TRP A 210 -5.665 2.196 -8.021 1.00 0.31 H new ATOM 0 HE1 TRP A 210 -6.844 1.383 -5.859 1.00 0.30 H new ATOM 0 HE3 TRP A 210 -3.031 -2.109 -7.318 1.00 0.29 H new ATOM 0 HZ2 TRP A 210 -6.642 -0.838 -4.137 1.00 0.26 H new ATOM 0 HZ3 TRP A 210 -3.583 -3.540 -5.396 1.00 0.31 H new ATOM 0 HH2 TRP A 210 -5.371 -2.911 -3.827 1.00 0.29 H new ATOM 984 N ASP A 211 -1.164 2.145 -10.777 1.00 0.27 N ATOM 985 CA ASP A 211 -0.126 2.067 -11.800 1.00 0.29 C ATOM 986 C ASP A 211 1.149 2.750 -11.308 1.00 0.25 C ATOM 987 O ASP A 211 2.220 2.596 -11.894 1.00 0.32 O ATOM 988 CB ASP A 211 -0.609 2.708 -13.108 1.00 0.39 C ATOM 989 CG ASP A 211 0.403 2.584 -14.233 1.00 1.49 C ATOM 990 OD1 ASP A 211 0.470 1.505 -14.862 1.00 2.30 O ATOM 991 OD2 ASP A 211 1.128 3.566 -14.503 1.00 2.30 O ATOM 0 H ASP A 211 -1.767 2.964 -10.850 1.00 0.27 H new ATOM 0 HA ASP A 211 0.093 1.017 -11.995 1.00 0.29 H new ATOM 0 HB2 ASP A 211 -1.544 2.239 -13.413 1.00 0.39 H new ATOM 0 HB3 ASP A 211 -0.824 3.762 -12.933 1.00 0.39 H new ATOM 996 N THR A 212 1.021 3.497 -10.218 1.00 0.23 N ATOM 997 CA THR A 212 2.151 4.180 -9.603 1.00 0.23 C ATOM 998 C THR A 212 3.216 3.183 -9.151 1.00 0.21 C ATOM 999 O THR A 212 2.913 2.216 -8.459 1.00 0.26 O ATOM 1000 CB THR A 212 1.682 5.012 -8.393 1.00 0.25 C ATOM 1001 OG1 THR A 212 0.805 6.059 -8.832 1.00 0.30 O ATOM 1002 CG2 THR A 212 2.861 5.614 -7.641 1.00 0.31 C ATOM 0 H THR A 212 0.134 3.646 -9.737 1.00 0.23 H new ATOM 0 HA THR A 212 2.586 4.842 -10.352 1.00 0.23 H new ATOM 0 HB THR A 212 1.150 4.346 -7.714 1.00 0.25 H new ATOM 0 HG1 THR A 212 -0.124 5.751 -8.780 1.00 0.30 H new ATOM 0 HG21 THR A 212 2.494 6.194 -6.794 1.00 0.31 H new ATOM 0 HG22 THR A 212 3.509 4.815 -7.280 1.00 0.31 H new ATOM 0 HG23 THR A 212 3.425 6.264 -8.309 1.00 0.31 H new ATOM 1010 N ASP A 213 4.455 3.419 -9.569 1.00 0.23 N ATOM 1011 CA ASP A 213 5.579 2.573 -9.174 1.00 0.25 C ATOM 1012 C ASP A 213 5.860 2.739 -7.681 1.00 0.23 C ATOM 1013 O ASP A 213 6.021 3.858 -7.188 1.00 0.29 O ATOM 1014 CB ASP A 213 6.817 2.940 -9.995 1.00 0.32 C ATOM 1015 CG ASP A 213 7.986 2.003 -9.765 1.00 0.93 C ATOM 1016 OD1 ASP A 213 8.208 1.110 -10.606 1.00 1.73 O ATOM 1017 OD2 ASP A 213 8.706 2.177 -8.765 1.00 1.66 O ATOM 0 H ASP A 213 4.708 4.192 -10.184 1.00 0.23 H new ATOM 0 HA ASP A 213 5.327 1.530 -9.365 1.00 0.25 H new ATOM 0 HB2 ASP A 213 6.558 2.934 -11.054 1.00 0.32 H new ATOM 0 HB3 ASP A 213 7.121 3.957 -9.747 1.00 0.32 H new ATOM 1022 N ILE A 214 5.924 1.618 -6.969 1.00 0.23 N ATOM 1023 CA ILE A 214 6.021 1.629 -5.511 1.00 0.21 C ATOM 1024 C ILE A 214 7.371 2.173 -5.025 1.00 0.19 C ATOM 1025 O ILE A 214 7.487 2.651 -3.895 1.00 0.21 O ATOM 1026 CB ILE A 214 5.748 0.219 -4.912 1.00 0.22 C ATOM 1027 CG1 ILE A 214 5.996 0.219 -3.398 1.00 0.24 C ATOM 1028 CG2 ILE A 214 6.589 -0.851 -5.598 1.00 0.26 C ATOM 1029 CD1 ILE A 214 5.707 -1.098 -2.719 1.00 0.29 C ATOM 0 H ILE A 214 5.910 0.685 -7.380 1.00 0.23 H new ATOM 0 HA ILE A 214 5.247 2.307 -5.152 1.00 0.21 H new ATOM 0 HB ILE A 214 4.700 -0.022 -5.091 1.00 0.22 H new ATOM 0 HG12 ILE A 214 7.036 0.489 -3.212 1.00 0.24 H new ATOM 0 HG13 ILE A 214 5.379 0.993 -2.941 1.00 0.24 H new ATOM 0 HG21 ILE A 214 6.373 -1.823 -5.155 1.00 0.26 H new ATOM 0 HG22 ILE A 214 6.350 -0.876 -6.661 1.00 0.26 H new ATOM 0 HG23 ILE A 214 7.647 -0.621 -5.469 1.00 0.26 H new ATOM 0 HD11 ILE A 214 5.909 -1.009 -1.652 1.00 0.29 H new ATOM 0 HD12 ILE A 214 4.660 -1.363 -2.870 1.00 0.29 H new ATOM 0 HD13 ILE A 214 6.343 -1.874 -3.145 1.00 0.29 H new ATOM 1041 N SER A 215 8.376 2.155 -5.889 1.00 0.21 N ATOM 1042 CA SER A 215 9.701 2.642 -5.520 1.00 0.23 C ATOM 1043 C SER A 215 9.701 4.167 -5.331 1.00 0.25 C ATOM 1044 O SER A 215 10.658 4.738 -4.800 1.00 0.31 O ATOM 1045 CB SER A 215 10.729 2.225 -6.580 1.00 0.31 C ATOM 1046 OG SER A 215 12.012 2.766 -6.308 1.00 1.07 O ATOM 0 H SER A 215 8.302 1.811 -6.846 1.00 0.21 H new ATOM 0 HA SER A 215 9.978 2.192 -4.566 1.00 0.23 H new ATOM 0 HB2 SER A 215 10.793 1.138 -6.617 1.00 0.31 H new ATOM 0 HB3 SER A 215 10.394 2.558 -7.562 1.00 0.31 H new ATOM 0 HG SER A 215 12.699 2.201 -6.719 1.00 1.07 H new ATOM 1052 N TRP A 216 8.628 4.832 -5.747 1.00 0.25 N ATOM 1053 CA TRP A 216 8.507 6.270 -5.536 1.00 0.33 C ATOM 1054 C TRP A 216 7.832 6.548 -4.196 1.00 0.33 C ATOM 1055 O TRP A 216 7.935 7.642 -3.646 1.00 0.45 O ATOM 1056 CB TRP A 216 7.712 6.930 -6.667 1.00 0.40 C ATOM 1057 CG TRP A 216 8.315 6.730 -8.025 1.00 1.13 C ATOM 1058 CD1 TRP A 216 9.643 6.681 -8.336 1.00 1.75 C ATOM 1059 CD2 TRP A 216 7.607 6.572 -9.258 1.00 1.92 C ATOM 1060 NE1 TRP A 216 9.804 6.485 -9.687 1.00 2.60 N ATOM 1061 CE2 TRP A 216 8.567 6.417 -10.275 1.00 2.73 C ATOM 1062 CE3 TRP A 216 6.253 6.541 -9.600 1.00 2.29 C ATOM 1063 CZ2 TRP A 216 8.214 6.233 -11.610 1.00 3.66 C ATOM 1064 CZ3 TRP A 216 5.905 6.360 -10.924 1.00 3.27 C ATOM 1065 CH2 TRP A 216 6.882 6.208 -11.914 1.00 3.87 C ATOM 0 H TRP A 216 7.837 4.403 -6.228 1.00 0.25 H new ATOM 0 HA TRP A 216 9.510 6.696 -5.530 1.00 0.33 H new ATOM 0 HB2 TRP A 216 6.698 6.530 -6.667 1.00 0.40 H new ATOM 0 HB3 TRP A 216 7.633 7.999 -6.468 1.00 0.40 H new ATOM 0 HD1 TRP A 216 10.449 6.782 -7.625 1.00 1.75 H new ATOM 0 HE1 TRP A 216 10.697 6.403 -10.173 1.00 2.60 H new ATOM 0 HE3 TRP A 216 5.492 6.657 -8.842 1.00 2.29 H new ATOM 0 HZ2 TRP A 216 8.965 6.114 -12.377 1.00 3.66 H new ATOM 0 HZ3 TRP A 216 4.861 6.335 -11.200 1.00 3.27 H new ATOM 0 HH2 TRP A 216 6.577 6.068 -12.940 1.00 3.87 H new ATOM 1076 N LEU A 217 7.165 5.530 -3.668 1.00 0.25 N ATOM 1077 CA LEU A 217 6.431 5.651 -2.414 1.00 0.26 C ATOM 1078 C LEU A 217 7.302 5.188 -1.254 1.00 0.24 C ATOM 1079 O LEU A 217 6.853 5.113 -0.113 1.00 0.25 O ATOM 1080 CB LEU A 217 5.147 4.821 -2.487 1.00 0.26 C ATOM 1081 CG LEU A 217 4.307 5.043 -3.750 1.00 0.47 C ATOM 1082 CD1 LEU A 217 3.048 4.197 -3.719 1.00 1.21 C ATOM 1083 CD2 LEU A 217 3.957 6.514 -3.911 1.00 0.92 C ATOM 0 H LEU A 217 7.117 4.604 -4.092 1.00 0.25 H new ATOM 0 HA LEU A 217 6.165 6.695 -2.250 1.00 0.26 H new ATOM 0 HB2 LEU A 217 5.410 3.765 -2.424 1.00 0.26 H new ATOM 0 HB3 LEU A 217 4.534 5.049 -1.615 1.00 0.26 H new ATOM 0 HG LEU A 217 4.903 4.735 -4.609 1.00 0.47 H new ATOM 0 HD11 LEU A 217 2.469 4.372 -4.626 1.00 1.21 H new ATOM 0 HD12 LEU A 217 3.319 3.143 -3.660 1.00 1.21 H new ATOM 0 HD13 LEU A 217 2.450 4.467 -2.849 1.00 1.21 H new ATOM 0 HD21 LEU A 217 3.361 6.649 -4.813 1.00 0.92 H new ATOM 0 HD22 LEU A 217 3.386 6.849 -3.045 1.00 0.92 H new ATOM 0 HD23 LEU A 217 4.873 7.099 -3.990 1.00 0.92 H new ATOM 1095 N THR A 218 8.546 4.856 -1.582 1.00 0.25 N ATOM 1096 CA THR A 218 9.552 4.458 -0.610 1.00 0.26 C ATOM 1097 C THR A 218 9.558 5.326 0.642 1.00 0.28 C ATOM 1098 O THR A 218 9.403 6.548 0.571 1.00 0.32 O ATOM 1099 CB THR A 218 10.951 4.524 -1.225 1.00 0.31 C ATOM 1100 OG1 THR A 218 11.013 3.725 -2.407 1.00 0.32 O ATOM 1101 CG2 THR A 218 11.965 4.044 -0.222 1.00 0.39 C ATOM 0 H THR A 218 8.886 4.856 -2.544 1.00 0.25 H new ATOM 0 HA THR A 218 9.291 3.439 -0.324 1.00 0.26 H new ATOM 0 HB THR A 218 11.172 5.557 -1.495 1.00 0.31 H new ATOM 0 HG1 THR A 218 11.236 4.293 -3.174 1.00 0.32 H new ATOM 0 HG21 THR A 218 12.962 4.091 -0.661 1.00 0.39 H new ATOM 0 HG22 THR A 218 11.928 4.678 0.664 1.00 0.39 H new ATOM 0 HG23 THR A 218 11.741 3.015 0.058 1.00 0.39 H new ATOM 1109 N GLY A 219 9.738 4.674 1.786 1.00 0.30 N ATOM 1110 CA GLY A 219 9.888 5.378 3.036 1.00 0.37 C ATOM 1111 C GLY A 219 8.562 5.834 3.593 1.00 0.38 C ATOM 1112 O GLY A 219 8.474 6.292 4.734 1.00 0.53 O ATOM 0 H GLY A 219 9.782 3.658 1.864 1.00 0.30 H new ATOM 0 HA2 GLY A 219 10.381 4.729 3.760 1.00 0.37 H new ATOM 0 HA3 GLY A 219 10.536 6.242 2.889 1.00 0.37 H new ATOM 1116 N GLU A 220 7.525 5.686 2.791 1.00 0.29 N ATOM 1117 CA GLU A 220 6.208 6.161 3.160 1.00 0.29 C ATOM 1118 C GLU A 220 5.321 5.018 3.614 1.00 0.28 C ATOM 1119 O GLU A 220 5.537 3.857 3.254 1.00 0.40 O ATOM 1120 CB GLU A 220 5.555 6.904 1.990 1.00 0.36 C ATOM 1121 CG GLU A 220 6.123 8.293 1.766 1.00 1.26 C ATOM 1122 CD GLU A 220 5.935 9.190 2.972 1.00 1.53 C ATOM 1123 OE1 GLU A 220 6.912 9.399 3.718 1.00 2.02 O ATOM 1124 OE2 GLU A 220 4.803 9.678 3.187 1.00 2.16 O ATOM 0 H GLU A 220 7.571 5.238 1.876 1.00 0.29 H new ATOM 0 HA GLU A 220 6.326 6.853 3.994 1.00 0.29 H new ATOM 0 HB2 GLU A 220 5.681 6.317 1.080 1.00 0.36 H new ATOM 0 HB3 GLU A 220 4.483 6.983 2.172 1.00 0.36 H new ATOM 0 HG2 GLU A 220 7.185 8.216 1.535 1.00 1.26 H new ATOM 0 HG3 GLU A 220 5.640 8.746 0.900 1.00 1.26 H new ATOM 1131 N GLU A 221 4.340 5.354 4.427 1.00 0.30 N ATOM 1132 CA GLU A 221 3.347 4.400 4.855 1.00 0.30 C ATOM 1133 C GLU A 221 2.077 4.604 4.056 1.00 0.31 C ATOM 1134 O GLU A 221 1.523 5.703 4.016 1.00 0.38 O ATOM 1135 CB GLU A 221 3.045 4.533 6.348 1.00 0.38 C ATOM 1136 CG GLU A 221 4.237 4.258 7.249 1.00 0.46 C ATOM 1137 CD GLU A 221 3.835 4.051 8.693 1.00 1.26 C ATOM 1138 OE1 GLU A 221 3.899 2.897 9.170 1.00 2.01 O ATOM 1139 OE2 GLU A 221 3.447 5.034 9.358 1.00 2.03 O ATOM 0 H GLU A 221 4.212 6.292 4.806 1.00 0.30 H new ATOM 0 HA GLU A 221 3.741 3.398 4.683 1.00 0.30 H new ATOM 0 HB2 GLU A 221 2.679 5.541 6.545 1.00 0.38 H new ATOM 0 HB3 GLU A 221 2.240 3.845 6.608 1.00 0.38 H new ATOM 0 HG2 GLU A 221 4.763 3.373 6.891 1.00 0.46 H new ATOM 0 HG3 GLU A 221 4.936 5.092 7.186 1.00 0.46 H new ATOM 1146 N LEU A 222 1.628 3.552 3.413 1.00 0.26 N ATOM 1147 CA LEU A 222 0.412 3.610 2.620 1.00 0.27 C ATOM 1148 C LEU A 222 -0.770 3.116 3.435 1.00 0.25 C ATOM 1149 O LEU A 222 -0.608 2.656 4.560 1.00 0.32 O ATOM 1150 CB LEU A 222 0.560 2.774 1.348 1.00 0.29 C ATOM 1151 CG LEU A 222 1.100 3.507 0.117 1.00 0.54 C ATOM 1152 CD1 LEU A 222 2.353 4.304 0.449 1.00 1.19 C ATOM 1153 CD2 LEU A 222 1.384 2.505 -0.990 1.00 1.19 C ATOM 0 H LEU A 222 2.085 2.640 3.421 1.00 0.26 H new ATOM 0 HA LEU A 222 0.235 4.647 2.335 1.00 0.27 H new ATOM 0 HB2 LEU A 222 1.221 1.935 1.564 1.00 0.29 H new ATOM 0 HB3 LEU A 222 -0.415 2.356 1.098 1.00 0.29 H new ATOM 0 HG LEU A 222 0.343 4.214 -0.221 1.00 0.54 H new ATOM 0 HD11 LEU A 222 2.709 4.812 -0.447 1.00 1.19 H new ATOM 0 HD12 LEU A 222 2.122 5.043 1.217 1.00 1.19 H new ATOM 0 HD13 LEU A 222 3.127 3.630 0.816 1.00 1.19 H new ATOM 0 HD21 LEU A 222 1.768 3.029 -1.865 1.00 1.19 H new ATOM 0 HD22 LEU A 222 2.124 1.782 -0.646 1.00 1.19 H new ATOM 0 HD23 LEU A 222 0.464 1.984 -1.254 1.00 1.19 H new ATOM 1165 N HIS A 223 -1.956 3.245 2.875 1.00 0.24 N ATOM 1166 CA HIS A 223 -3.178 2.765 3.503 1.00 0.26 C ATOM 1167 C HIS A 223 -4.048 2.102 2.455 1.00 0.28 C ATOM 1168 O HIS A 223 -4.190 2.623 1.359 1.00 0.46 O ATOM 1169 CB HIS A 223 -3.957 3.919 4.147 1.00 0.45 C ATOM 1170 CG HIS A 223 -3.482 4.309 5.510 1.00 0.94 C ATOM 1171 ND1 HIS A 223 -4.240 4.131 6.645 1.00 1.30 N ATOM 1172 CD2 HIS A 223 -2.338 4.906 5.916 1.00 1.85 C ATOM 1173 CE1 HIS A 223 -3.587 4.604 7.687 1.00 2.26 C ATOM 1174 NE2 HIS A 223 -2.428 5.080 7.273 1.00 2.63 N ATOM 0 H HIS A 223 -2.104 3.687 1.968 1.00 0.24 H new ATOM 0 HA HIS A 223 -2.910 2.051 4.282 1.00 0.26 H new ATOM 0 HB2 HIS A 223 -3.897 4.789 3.493 1.00 0.45 H new ATOM 0 HB3 HIS A 223 -5.009 3.639 4.210 1.00 0.45 H new ATOM 0 HD2 HIS A 223 -1.508 5.192 5.288 1.00 1.85 H new ATOM 0 HE1 HIS A 223 -3.941 4.602 8.707 1.00 2.26 H new ATOM 0 HE2 HIS A 223 -1.716 5.507 7.865 1.00 2.63 H new ATOM 1183 N VAL A 224 -4.608 0.951 2.761 1.00 0.27 N ATOM 1184 CA VAL A 224 -5.538 0.328 1.841 1.00 0.34 C ATOM 1185 C VAL A 224 -6.959 0.519 2.323 1.00 0.38 C ATOM 1186 O VAL A 224 -7.299 0.167 3.454 1.00 0.51 O ATOM 1187 CB VAL A 224 -5.262 -1.170 1.636 1.00 0.55 C ATOM 1188 CG1 VAL A 224 -6.336 -1.795 0.761 1.00 0.91 C ATOM 1189 CG2 VAL A 224 -3.918 -1.366 0.983 1.00 0.97 C ATOM 0 H VAL A 224 -4.440 0.434 3.624 1.00 0.27 H new ATOM 0 HA VAL A 224 -5.399 0.819 0.878 1.00 0.34 H new ATOM 0 HB VAL A 224 -5.268 -1.653 2.613 1.00 0.55 H new ATOM 0 HG11 VAL A 224 -6.124 -2.856 0.627 1.00 0.91 H new ATOM 0 HG12 VAL A 224 -7.309 -1.677 1.239 1.00 0.91 H new ATOM 0 HG13 VAL A 224 -6.347 -1.301 -0.211 1.00 0.91 H new ATOM 0 HG21 VAL A 224 -3.733 -2.431 0.843 1.00 0.97 H new ATOM 0 HG22 VAL A 224 -3.907 -0.865 0.015 1.00 0.97 H new ATOM 0 HG23 VAL A 224 -3.140 -0.943 1.618 1.00 0.97 H new ATOM 1199 N GLU A 225 -7.777 1.079 1.459 1.00 0.38 N ATOM 1200 CA GLU A 225 -9.166 1.322 1.778 1.00 0.49 C ATOM 1201 C GLU A 225 -10.028 0.374 0.964 1.00 0.39 C ATOM 1202 O GLU A 225 -9.991 0.404 -0.262 1.00 0.46 O ATOM 1203 CB GLU A 225 -9.539 2.766 1.443 1.00 0.68 C ATOM 1204 CG GLU A 225 -8.661 3.809 2.116 1.00 0.93 C ATOM 1205 CD GLU A 225 -8.893 3.914 3.609 1.00 1.32 C ATOM 1206 OE1 GLU A 225 -8.018 3.495 4.392 1.00 1.78 O ATOM 1207 OE2 GLU A 225 -9.950 4.444 4.006 1.00 1.94 O ATOM 0 H GLU A 225 -7.501 1.376 0.523 1.00 0.38 H new ATOM 0 HA GLU A 225 -9.328 1.156 2.843 1.00 0.49 H new ATOM 0 HB2 GLU A 225 -9.483 2.903 0.363 1.00 0.68 H new ATOM 0 HB3 GLU A 225 -10.576 2.938 1.733 1.00 0.68 H new ATOM 0 HG2 GLU A 225 -7.614 3.565 1.934 1.00 0.93 H new ATOM 0 HG3 GLU A 225 -8.846 4.780 1.657 1.00 0.93 H new ATOM 1214 N VAL A 226 -10.790 -0.476 1.634 1.00 0.50 N ATOM 1215 CA VAL A 226 -11.677 -1.387 0.932 1.00 0.48 C ATOM 1216 C VAL A 226 -12.753 -0.596 0.203 1.00 0.52 C ATOM 1217 O VAL A 226 -13.431 0.246 0.794 1.00 0.69 O ATOM 1218 CB VAL A 226 -12.323 -2.417 1.886 1.00 0.64 C ATOM 1219 CG1 VAL A 226 -13.420 -3.205 1.180 1.00 1.12 C ATOM 1220 CG2 VAL A 226 -11.268 -3.365 2.442 1.00 1.12 C ATOM 0 H VAL A 226 -10.812 -0.554 2.651 1.00 0.50 H new ATOM 0 HA VAL A 226 -11.080 -1.945 0.211 1.00 0.48 H new ATOM 0 HB VAL A 226 -12.775 -1.870 2.714 1.00 0.64 H new ATOM 0 HG11 VAL A 226 -13.857 -3.922 1.875 1.00 1.12 H new ATOM 0 HG12 VAL A 226 -14.193 -2.520 0.831 1.00 1.12 H new ATOM 0 HG13 VAL A 226 -12.995 -3.737 0.329 1.00 1.12 H new ATOM 0 HG21 VAL A 226 -11.741 -4.083 3.112 1.00 1.12 H new ATOM 0 HG22 VAL A 226 -10.787 -3.897 1.621 1.00 1.12 H new ATOM 0 HG23 VAL A 226 -10.520 -2.794 2.992 1.00 1.12 H new