USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 364 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 212 CYS SG : rot -59:sc= -6.26! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.227 K(o=-2.5,f=-5.7!) USER MOD Set 1.3: A 217 CYS SG : rot -170:sc= 1.56 USER MOD Set 1.4: A 239 CYS SG : rot 153:sc= 0.579 USER MOD Set 1.5: A 242 CYS SG : rot 111:sc= 1.44 USER MOD Set 2.1: A 197 THR OG1 : rot 151:sc= 0.0273 USER MOD Set 2.2: A 202 HIS : no HD1:sc= -0.0189 K(o=0.0084,f=-0.53) USER MOD Set 3.1: A 199 CYS SG : rot 10:sc= -1.64! USER MOD Set 3.2: A 201 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 203 GLN : amide:sc= 0.412 K(o=-1.8,f=-3.7!) USER MOD Set 3.4: A 223 HIS :FLIP no HE2:sc= -0.307 F(o=-2.6,f=-1.8) USER MOD Set 3.5: A 226 CYS SG : rot 180:sc= -0.222 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 206 TYR OH : rot 103:sc=-0.00761 USER MOD Single : A 209 MET CE :methyl -142:sc= -0.0515 (180deg=-1.67) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 230 THR OG1 : rot -36:sc= 0.26 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 9.918 15.646 6.058 1.00 0.00 N ATOM 135 CA PRO A 196 9.265 16.533 7.015 1.00 0.00 C ATOM 136 C PRO A 196 8.100 17.326 6.405 1.00 0.00 C ATOM 137 O PRO A 196 7.929 17.394 5.187 1.00 0.00 O ATOM 138 CB PRO A 196 10.374 17.464 7.520 1.00 0.00 C ATOM 139 CG PRO A 196 11.319 17.557 6.326 1.00 0.00 C ATOM 140 CD PRO A 196 11.249 16.148 5.742 1.00 0.00 C ATOM 0 HA PRO A 196 8.806 15.959 7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.982 18.442 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.874 17.056 8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.994 18.311 5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.332 17.821 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.414 16.164 4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.019 15.509 6.173 1.00 0.00 H new ATOM 148 N THR A 197 7.320 17.956 7.292 1.00 0.00 N ATOM 149 CA THR A 197 6.172 18.799 6.987 1.00 0.00 C ATOM 150 C THR A 197 6.164 19.997 7.946 1.00 0.00 C ATOM 151 O THR A 197 6.956 20.066 8.888 1.00 0.00 O ATOM 152 CB THR A 197 4.854 17.997 7.095 1.00 0.00 C ATOM 153 OG1 THR A 197 4.567 17.645 8.436 1.00 0.00 O ATOM 154 CG2 THR A 197 4.836 16.717 6.249 1.00 0.00 C ATOM 0 H THR A 197 7.488 17.883 8.295 1.00 0.00 H new ATOM 0 HA THR A 197 6.251 19.158 5.961 1.00 0.00 H new ATOM 0 HB THR A 197 4.092 18.672 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.597 17.572 8.555 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.880 16.210 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.973 16.973 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.642 16.058 6.570 1.00 0.00 H new ATOM 162 N TYR A 198 5.221 20.915 7.720 1.00 0.00 N ATOM 163 CA TYR A 198 4.999 22.083 8.574 1.00 0.00 C ATOM 164 C TYR A 198 3.506 22.293 8.847 1.00 0.00 C ATOM 165 O TYR A 198 3.068 22.085 9.974 1.00 0.00 O ATOM 166 CB TYR A 198 5.620 23.327 7.918 1.00 0.00 C ATOM 167 CG TYR A 198 7.114 23.536 8.090 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.705 23.473 9.368 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.902 23.890 6.977 1.00 0.00 C ATOM 170 CE1 TYR A 198 9.075 23.740 9.532 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.271 24.166 7.135 1.00 0.00 C ATOM 172 CZ TYR A 198 9.865 24.090 8.414 1.00 0.00 C ATOM 173 OH TYR A 198 11.192 24.362 8.569 1.00 0.00 O ATOM 0 H TYR A 198 4.581 20.866 6.927 1.00 0.00 H new ATOM 0 HA TYR A 198 5.483 21.912 9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.406 23.286 6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 198 5.109 24.206 8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.101 23.218 10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.452 23.950 5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.524 23.678 10.512 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.869 24.436 6.278 1.00 0.00 H new ATOM 0 HH TYR A 198 11.584 24.584 7.699 1.00 0.00 H new ATOM 183 N CYS A 199 2.742 22.674 7.816 1.00 0.00 N ATOM 184 CA CYS A 199 1.304 22.887 7.789 1.00 0.00 C ATOM 185 C CYS A 199 0.489 21.699 8.291 1.00 0.00 C ATOM 186 O CYS A 199 0.959 20.561 8.305 1.00 0.00 O ATOM 187 CB CYS A 199 0.910 23.169 6.334 1.00 0.00 C ATOM 188 SG CYS A 199 1.659 21.970 5.203 1.00 0.00 S ATOM 0 H CYS A 199 3.159 22.855 6.903 1.00 0.00 H new ATOM 0 HA CYS A 199 1.083 23.716 8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -0.175 23.135 6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 199 1.224 24.176 6.059 1.00 0.00 H new ATOM 0 HG CYS A 199 2.198 21.006 5.888 1.00 0.00 H new ATOM 193 N LEU A 200 -0.787 21.981 8.598 1.00 0.00 N ATOM 194 CA LEU A 200 -1.777 20.934 8.842 1.00 0.00 C ATOM 195 C LEU A 200 -2.270 20.297 7.530 1.00 0.00 C ATOM 196 O LEU A 200 -3.083 19.376 7.566 1.00 0.00 O ATOM 197 CB LEU A 200 -2.901 21.387 9.786 1.00 0.00 C ATOM 198 CG LEU A 200 -3.710 22.615 9.350 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.604 22.370 8.124 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.609 23.053 10.516 1.00 0.00 C ATOM 0 H LEU A 200 -1.153 22.930 8.682 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.275 20.133 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.591 20.554 9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.463 21.596 10.762 1.00 0.00 H new ATOM 0 HG LEU A 200 -2.985 23.380 9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.143 23.285 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.986 22.074 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.318 21.577 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.190 23.926 10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.285 22.240 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -3.991 23.305 11.378 1.00 0.00 H new ATOM 212 N CYS A 201 -1.777 20.781 6.375 1.00 0.00 N ATOM 213 CA CYS A 201 -1.956 20.138 5.083 1.00 0.00 C ATOM 214 C CYS A 201 -1.039 18.908 4.970 1.00 0.00 C ATOM 215 O CYS A 201 -1.388 17.937 4.302 1.00 0.00 O ATOM 216 CB CYS A 201 -1.617 21.154 3.995 1.00 0.00 C ATOM 217 SG CYS A 201 -2.749 22.572 3.996 1.00 0.00 S ATOM 0 H CYS A 201 -1.236 21.644 6.325 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.986 19.801 4.971 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.596 21.508 4.137 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.652 20.665 3.021 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.409 23.399 3.053 1.00 0.00 H new ATOM 223 N HIS A 202 0.101 18.956 5.675 1.00 0.00 N ATOM 224 CA HIS A 202 1.044 17.871 5.922 1.00 0.00 C ATOM 225 C HIS A 202 1.829 17.458 4.679 1.00 0.00 C ATOM 226 O HIS A 202 1.869 16.289 4.297 1.00 0.00 O ATOM 227 CB HIS A 202 0.439 16.722 6.744 1.00 0.00 C ATOM 228 CG HIS A 202 0.223 17.107 8.184 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.207 17.377 9.110 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.978 17.269 8.816 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.603 17.698 10.266 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.734 17.646 10.141 1.00 0.00 N ATOM 0 H HIS A 202 0.405 19.823 6.118 1.00 0.00 H new ATOM 0 HA HIS A 202 1.815 18.273 6.579 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.512 16.423 6.303 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.099 15.856 6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -1.951 17.130 8.368 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.123 17.963 11.175 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.428 17.841 10.863 1.00 0.00 H new ATOM 240 N GLN A 203 2.480 18.458 4.075 1.00 0.00 N ATOM 241 CA GLN A 203 3.501 18.284 3.057 1.00 0.00 C ATOM 242 C GLN A 203 4.667 19.253 3.328 1.00 0.00 C ATOM 243 O GLN A 203 4.591 20.087 4.236 1.00 0.00 O ATOM 244 CB GLN A 203 2.885 18.360 1.646 1.00 0.00 C ATOM 245 CG GLN A 203 2.766 19.753 1.014 1.00 0.00 C ATOM 246 CD GLN A 203 2.065 20.793 1.875 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.904 20.640 2.240 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.773 21.873 2.192 1.00 0.00 N ATOM 0 H GLN A 203 2.299 19.438 4.294 1.00 0.00 H new ATOM 0 HA GLN A 203 3.934 17.285 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.482 17.736 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.889 17.920 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.767 20.114 0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.228 19.662 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.736 21.964 1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.353 22.610 2.758 1.00 0.00 H new ATOM 257 N VAL A 204 5.757 19.114 2.561 1.00 0.00 N ATOM 258 CA VAL A 204 7.009 19.864 2.728 1.00 0.00 C ATOM 259 C VAL A 204 6.801 21.381 2.522 1.00 0.00 C ATOM 260 O VAL A 204 5.717 21.827 2.147 1.00 0.00 O ATOM 261 CB VAL A 204 8.129 19.311 1.799 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.495 19.327 2.510 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.907 17.873 1.289 1.00 0.00 C ATOM 0 H VAL A 204 5.793 18.456 1.783 1.00 0.00 H new ATOM 0 HA VAL A 204 7.336 19.722 3.758 1.00 0.00 H new ATOM 0 HB VAL A 204 8.101 19.981 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.259 18.936 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.747 20.350 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.447 18.707 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.741 17.581 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.843 17.192 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.980 17.829 0.718 1.00 0.00 H new ATOM 273 N SER A 205 7.856 22.169 2.777 1.00 0.00 N ATOM 274 CA SER A 205 7.875 23.633 2.780 1.00 0.00 C ATOM 275 C SER A 205 7.278 24.290 1.526 1.00 0.00 C ATOM 276 O SER A 205 7.205 23.693 0.451 1.00 0.00 O ATOM 277 CB SER A 205 9.312 24.116 3.022 1.00 0.00 C ATOM 278 OG SER A 205 10.181 23.682 1.994 1.00 0.00 O ATOM 0 H SER A 205 8.770 21.775 2.999 1.00 0.00 H new ATOM 0 HA SER A 205 7.219 23.949 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.327 25.204 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.667 23.742 3.983 1.00 0.00 H new ATOM 0 HG SER A 205 11.088 24.006 2.174 1.00 0.00 H new ATOM 284 N TYR A 206 6.881 25.556 1.692 1.00 0.00 N ATOM 285 CA TYR A 206 6.086 26.337 0.749 1.00 0.00 C ATOM 286 C TYR A 206 6.597 27.779 0.674 1.00 0.00 C ATOM 287 O TYR A 206 7.316 28.251 1.555 1.00 0.00 O ATOM 288 CB TYR A 206 4.596 26.283 1.154 1.00 0.00 C ATOM 289 CG TYR A 206 4.319 26.145 2.646 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.194 27.274 3.480 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.237 24.855 3.203 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.012 27.109 4.867 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.022 24.683 4.577 1.00 0.00 C ATOM 294 CZ TYR A 206 3.900 25.812 5.411 1.00 0.00 C ATOM 295 OH TYR A 206 3.686 25.650 6.742 1.00 0.00 O ATOM 0 H TYR A 206 7.119 26.086 2.530 1.00 0.00 H new ATOM 0 HA TYR A 206 6.186 25.906 -0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.108 27.190 0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.129 25.444 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 206 4.238 28.266 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.341 23.990 2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 206 3.958 27.973 5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.950 23.690 4.995 1.00 0.00 H new ATOM 0 HH TYR A 206 2.744 25.430 6.897 1.00 0.00 H new ATOM 305 N GLY A 207 6.217 28.463 -0.414 1.00 0.00 N ATOM 306 CA GLY A 207 6.723 29.781 -0.778 1.00 0.00 C ATOM 307 C GLY A 207 6.367 30.878 0.225 1.00 0.00 C ATOM 308 O GLY A 207 7.189 31.762 0.461 1.00 0.00 O ATOM 0 H GLY A 207 5.532 28.101 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.807 29.729 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.328 30.054 -1.756 1.00 0.00 H new ATOM 312 N GLU A 208 5.171 30.809 0.829 1.00 0.00 N ATOM 313 CA GLU A 208 4.607 31.856 1.649 1.00 0.00 C ATOM 314 C GLU A 208 4.027 31.241 2.927 1.00 0.00 C ATOM 315 O GLU A 208 3.120 30.409 2.889 1.00 0.00 O ATOM 316 CB GLU A 208 3.628 32.637 0.768 1.00 0.00 C ATOM 317 CG GLU A 208 2.315 31.948 0.323 1.00 0.00 C ATOM 318 CD GLU A 208 2.536 30.697 -0.534 1.00 0.00 C ATOM 319 OE1 GLU A 208 2.910 30.869 -1.715 1.00 0.00 O ATOM 320 OE2 GLU A 208 2.353 29.584 0.009 1.00 0.00 O ATOM 0 H GLU A 208 4.563 29.994 0.749 1.00 0.00 H new ATOM 0 HA GLU A 208 5.341 32.576 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.358 33.549 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.163 32.941 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.740 31.675 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.713 32.662 -0.240 1.00 0.00 H new ATOM 327 N MET A 209 4.588 31.662 4.068 1.00 0.00 N ATOM 328 CA MET A 209 4.395 30.999 5.361 1.00 0.00 C ATOM 329 C MET A 209 4.095 31.974 6.507 1.00 0.00 C ATOM 330 O MET A 209 4.632 33.081 6.552 1.00 0.00 O ATOM 331 CB MET A 209 5.660 30.190 5.752 1.00 0.00 C ATOM 332 CG MET A 209 6.494 29.539 4.631 1.00 0.00 C ATOM 333 SD MET A 209 7.256 27.916 4.969 1.00 0.00 S ATOM 334 CE MET A 209 7.869 28.087 6.665 1.00 0.00 C ATOM 0 H MET A 209 5.194 32.481 4.118 1.00 0.00 H new ATOM 0 HA MET A 209 3.531 30.348 5.227 1.00 0.00 H new ATOM 0 HB2 MET A 209 6.318 30.855 6.311 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.350 29.400 6.435 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.853 29.432 3.756 1.00 0.00 H new ATOM 0 HG3 MET A 209 7.290 30.233 4.360 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.828 27.577 6.759 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.996 29.144 6.901 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.153 27.644 7.357 1.00 0.00 H new ATOM 344 N ILE A 210 3.320 31.488 7.489 1.00 0.00 N ATOM 345 CA ILE A 210 3.062 32.137 8.776 1.00 0.00 C ATOM 346 C ILE A 210 3.062 31.105 9.908 1.00 0.00 C ATOM 347 O ILE A 210 2.629 29.969 9.726 1.00 0.00 O ATOM 348 CB ILE A 210 1.745 32.934 8.721 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.570 33.794 9.991 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.508 32.056 8.432 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.448 34.828 9.885 1.00 0.00 C ATOM 0 H ILE A 210 2.837 30.594 7.400 1.00 0.00 H new ATOM 0 HA ILE A 210 3.864 32.845 8.984 1.00 0.00 H new ATOM 0 HB ILE A 210 1.821 33.607 7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.369 33.138 10.838 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.507 34.309 10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.384 32.681 8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.631 31.560 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.403 31.306 9.216 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.385 35.394 10.815 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.657 35.508 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.499 34.320 9.705 1.00 0.00 H new ATOM 363 N GLY A 211 3.545 31.528 11.081 1.00 0.00 N ATOM 364 CA GLY A 211 3.822 30.671 12.225 1.00 0.00 C ATOM 365 C GLY A 211 3.105 31.130 13.494 1.00 0.00 C ATOM 366 O GLY A 211 3.006 32.323 13.776 1.00 0.00 O ATOM 0 H GLY A 211 3.759 32.509 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.519 29.650 11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.897 30.651 12.407 1.00 0.00 H new ATOM 370 N CYS A 212 2.596 30.139 14.236 1.00 0.00 N ATOM 371 CA CYS A 212 1.657 30.290 15.348 1.00 0.00 C ATOM 372 C CYS A 212 2.362 30.749 16.623 1.00 0.00 C ATOM 373 O CYS A 212 3.296 30.101 17.094 1.00 0.00 O ATOM 374 CB CYS A 212 0.858 28.989 15.548 1.00 0.00 C ATOM 375 SG CYS A 212 0.488 28.132 14.038 1.00 0.00 S ATOM 0 H CYS A 212 2.841 29.164 14.067 1.00 0.00 H new ATOM 0 HA CYS A 212 0.946 31.078 15.099 1.00 0.00 H new ATOM 0 HB2 CYS A 212 1.422 28.325 16.202 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.076 29.223 16.060 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.193 28.912 13.252 1.00 0.00 H new ATOM 380 N ASP A 213 1.866 31.862 17.178 1.00 0.00 N ATOM 381 CA ASP A 213 2.394 32.544 18.358 1.00 0.00 C ATOM 382 C ASP A 213 2.170 31.764 19.670 1.00 0.00 C ATOM 383 O ASP A 213 2.614 32.207 20.728 1.00 0.00 O ATOM 384 CB ASP A 213 1.750 33.939 18.410 1.00 0.00 C ATOM 385 CG ASP A 213 2.424 34.871 19.417 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.488 35.424 19.060 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.845 35.041 20.512 1.00 0.00 O ATOM 0 H ASP A 213 1.045 32.331 16.795 1.00 0.00 H new ATOM 0 HA ASP A 213 3.478 32.620 18.268 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.794 34.391 17.419 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.696 33.837 18.667 1.00 0.00 H new ATOM 392 N ASN A 214 1.489 30.609 19.620 1.00 0.00 N ATOM 393 CA ASN A 214 1.116 29.838 20.799 1.00 0.00 C ATOM 394 C ASN A 214 2.354 29.343 21.567 1.00 0.00 C ATOM 395 O ASN A 214 3.352 28.982 20.940 1.00 0.00 O ATOM 396 CB ASN A 214 0.362 28.567 20.392 1.00 0.00 C ATOM 397 CG ASN A 214 -0.932 28.732 19.608 1.00 0.00 C ATOM 398 OD1 ASN A 214 -0.988 29.368 18.557 1.00 0.00 O ATOM 399 ND2 ASN A 214 -1.961 28.009 20.032 1.00 0.00 N ATOM 0 H ASN A 214 1.181 30.185 18.745 1.00 0.00 H new ATOM 0 HA ASN A 214 0.509 30.502 21.414 1.00 0.00 H new ATOM 0 HB2 ASN A 214 1.038 27.952 19.798 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.135 28.007 21.299 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -2.820 27.973 19.483 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -1.893 27.489 20.907 1.00 0.00 H new ATOM 406 N PRO A 215 2.261 29.199 22.902 1.00 0.00 N ATOM 407 CA PRO A 215 3.256 28.497 23.708 1.00 0.00 C ATOM 408 C PRO A 215 3.053 26.963 23.664 1.00 0.00 C ATOM 409 O PRO A 215 3.722 26.250 24.412 1.00 0.00 O ATOM 410 CB PRO A 215 3.036 29.048 25.123 1.00 0.00 C ATOM 411 CG PRO A 215 1.522 29.251 25.173 1.00 0.00 C ATOM 412 CD PRO A 215 1.192 29.709 23.752 1.00 0.00 C ATOM 0 HA PRO A 215 4.271 28.657 23.345 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.376 28.349 25.887 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.575 29.982 25.282 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.999 28.330 25.432 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.239 29.998 25.914 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.224 29.323 23.434 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.136 30.796 23.697 1.00 0.00 H new ATOM 420 N ASP A 216 2.128 26.457 22.823 1.00 0.00 N ATOM 421 CA ASP A 216 1.651 25.072 22.858 1.00 0.00 C ATOM 422 C ASP A 216 1.291 24.470 21.482 1.00 0.00 C ATOM 423 O ASP A 216 1.054 23.265 21.406 1.00 0.00 O ATOM 424 CB ASP A 216 0.434 25.053 23.804 1.00 0.00 C ATOM 425 CG ASP A 216 -0.096 23.650 24.103 1.00 0.00 C ATOM 426 OD1 ASP A 216 0.643 22.890 24.767 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.236 23.369 23.672 1.00 0.00 O ATOM 0 H ASP A 216 1.688 27.014 22.091 1.00 0.00 H new ATOM 0 HA ASP A 216 2.465 24.438 23.210 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.708 25.535 24.742 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.366 25.647 23.363 1.00 0.00 H new ATOM 432 N CYS A 217 1.255 25.260 20.394 1.00 0.00 N ATOM 433 CA CYS A 217 0.927 24.772 19.057 1.00 0.00 C ATOM 434 C CYS A 217 1.938 23.722 18.598 1.00 0.00 C ATOM 435 O CYS A 217 3.149 23.897 18.722 1.00 0.00 O ATOM 436 CB CYS A 217 0.802 25.927 18.056 1.00 0.00 C ATOM 437 SG CYS A 217 0.167 25.353 16.458 1.00 0.00 S ATOM 0 H CYS A 217 1.455 26.260 20.426 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.048 24.287 19.103 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.137 26.690 18.460 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.776 26.395 17.915 1.00 0.00 H new ATOM 0 HG CYS A 217 0.264 26.310 15.583 1.00 0.00 H new ATOM 443 N SER A 218 1.384 22.640 18.048 1.00 0.00 N ATOM 444 CA SER A 218 2.097 21.424 17.652 1.00 0.00 C ATOM 445 C SER A 218 2.196 21.297 16.125 1.00 0.00 C ATOM 446 O SER A 218 2.658 20.271 15.627 1.00 0.00 O ATOM 447 CB SER A 218 1.406 20.195 18.260 1.00 0.00 C ATOM 448 OG SER A 218 1.301 20.310 19.664 1.00 0.00 O ATOM 0 H SER A 218 0.383 22.585 17.858 1.00 0.00 H new ATOM 0 HA SER A 218 3.116 21.485 18.035 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.412 20.082 17.827 1.00 0.00 H new ATOM 0 HB3 SER A 218 1.968 19.296 18.007 1.00 0.00 H new ATOM 0 HG SER A 218 0.856 19.515 20.025 1.00 0.00 H new ATOM 454 N ILE A 219 1.783 22.346 15.399 1.00 0.00 N ATOM 455 CA ILE A 219 1.887 22.471 13.948 1.00 0.00 C ATOM 456 C ILE A 219 2.821 23.652 13.624 1.00 0.00 C ATOM 457 O ILE A 219 3.699 23.494 12.780 1.00 0.00 O ATOM 458 CB ILE A 219 0.480 22.616 13.317 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.516 21.496 13.708 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.554 22.729 11.783 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.145 20.078 13.252 1.00 0.00 C ATOM 0 H ILE A 219 1.350 23.162 15.831 1.00 0.00 H new ATOM 0 HA ILE A 219 2.320 21.571 13.511 1.00 0.00 H new ATOM 0 HB ILE A 219 0.089 23.543 13.736 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.620 21.492 14.793 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.493 21.745 13.295 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.452 22.829 11.377 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.144 23.604 11.511 1.00 0.00 H new ATOM 0 HG23 ILE A 219 1.023 21.834 11.374 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -0.913 19.378 13.581 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.073 20.053 12.165 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.814 19.795 13.686 1.00 0.00 H new ATOM 473 N GLU A 220 2.667 24.767 14.367 1.00 0.00 N ATOM 474 CA GLU A 220 3.471 25.999 14.458 1.00 0.00 C ATOM 475 C GLU A 220 3.897 26.726 13.164 1.00 0.00 C ATOM 476 O GLU A 220 4.364 27.855 13.268 1.00 0.00 O ATOM 477 CB GLU A 220 4.664 25.793 15.412 1.00 0.00 C ATOM 478 CG GLU A 220 5.758 24.868 14.856 1.00 0.00 C ATOM 479 CD GLU A 220 7.033 24.944 15.695 1.00 0.00 C ATOM 480 OE1 GLU A 220 7.050 24.307 16.771 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.971 25.640 15.245 1.00 0.00 O ATOM 0 H GLU A 220 1.870 24.830 15.000 1.00 0.00 H new ATOM 0 HA GLU A 220 2.750 26.712 14.859 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.105 26.763 15.640 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.297 25.380 16.352 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.393 23.841 14.838 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.982 25.145 13.826 1.00 0.00 H new ATOM 488 N TRP A 221 3.709 26.148 11.971 1.00 0.00 N ATOM 489 CA TRP A 221 3.856 26.770 10.667 1.00 0.00 C ATOM 490 C TRP A 221 2.749 26.290 9.744 1.00 0.00 C ATOM 491 O TRP A 221 2.361 25.127 9.770 1.00 0.00 O ATOM 492 CB TRP A 221 5.166 26.345 10.043 1.00 0.00 C ATOM 493 CG TRP A 221 6.350 27.135 10.434 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.374 26.690 11.185 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.673 28.499 10.053 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.345 27.661 11.237 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.992 28.776 10.500 1.00 0.00 C ATOM 498 CE3 TRP A 221 6.002 29.509 9.331 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.642 29.969 10.157 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.621 30.743 9.061 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.951 30.964 9.449 1.00 0.00 C ATOM 0 H TRP A 221 3.432 25.169 11.896 1.00 0.00 H new ATOM 0 HA TRP A 221 3.818 27.852 10.796 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.348 25.302 10.300 1.00 0.00 H new ATOM 0 HB3 TRP A 221 5.063 26.393 8.959 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.425 25.726 11.669 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.219 27.570 11.756 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.996 29.332 8.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.674 30.122 10.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.071 31.522 8.554 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.440 31.895 9.204 1.00 0.00 H new ATOM 512 N PHE A 222 2.241 27.230 8.947 1.00 0.00 N ATOM 513 CA PHE A 222 1.038 27.101 8.127 1.00 0.00 C ATOM 514 C PHE A 222 1.219 27.935 6.863 1.00 0.00 C ATOM 515 O PHE A 222 1.956 28.922 6.868 1.00 0.00 O ATOM 516 CB PHE A 222 -0.199 27.663 8.873 1.00 0.00 C ATOM 517 CG PHE A 222 -0.703 26.880 10.073 1.00 0.00 C ATOM 518 CD1 PHE A 222 0.137 26.688 11.178 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.027 26.398 10.140 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.265 25.905 12.256 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.485 25.762 11.312 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.596 25.529 12.376 1.00 0.00 C ATOM 0 H PHE A 222 2.679 28.146 8.852 1.00 0.00 H new ATOM 0 HA PHE A 222 0.886 26.046 7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.038 28.674 9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.016 27.746 8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.111 27.155 11.193 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -2.689 26.516 9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.456 25.591 12.996 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.517 25.454 11.392 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.947 25.059 13.283 1.00 0.00 H new ATOM 532 N HIS A 223 0.506 27.568 5.790 1.00 0.00 N ATOM 533 CA HIS A 223 0.386 28.470 4.648 1.00 0.00 C ATOM 534 C HIS A 223 -0.464 29.670 5.077 1.00 0.00 C ATOM 535 O HIS A 223 -1.361 29.543 5.912 1.00 0.00 O ATOM 536 CB HIS A 223 -0.279 27.803 3.434 1.00 0.00 C ATOM 537 CG HIS A 223 0.307 26.493 2.973 1.00 0.00 C ATOM 538 ND1 HIS A 223 1.116 26.345 1.885 1.00 0.00 N flip ATOM 539 CD2 HIS A 223 -0.037 25.229 3.469 1.00 0.00 C flip ATOM 540 CE1 HIS A 223 1.285 24.994 1.706 1.00 0.00 C flip ATOM 541 NE2 HIS A 223 0.584 24.355 2.657 1.00 0.00 N flip ATOM 0 H HIS A 223 0.018 26.678 5.693 1.00 0.00 H new ATOM 0 HA HIS A 223 1.390 28.768 4.346 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.331 27.641 3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.244 28.503 2.600 1.00 0.00 H new ATOM 0 HD1 HIS A 223 1.517 27.091 1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -0.665 25.005 4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.879 24.526 0.934 1.00 0.00 H new ATOM 549 N PHE A 224 -0.204 30.827 4.464 1.00 0.00 N ATOM 550 CA PHE A 224 -1.097 31.983 4.549 1.00 0.00 C ATOM 551 C PHE A 224 -2.508 31.574 4.137 1.00 0.00 C ATOM 552 O PHE A 224 -3.445 31.804 4.888 1.00 0.00 O ATOM 553 CB PHE A 224 -0.565 33.118 3.668 1.00 0.00 C ATOM 554 CG PHE A 224 0.613 33.865 4.260 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.487 34.648 5.423 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.855 33.774 3.625 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.611 35.313 5.944 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.976 34.444 4.131 1.00 0.00 C ATOM 559 CZ PHE A 224 2.857 35.195 5.306 1.00 0.00 C ATOM 0 H PHE A 224 0.628 30.988 3.897 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.134 32.344 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.271 32.706 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.372 33.826 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.471 34.738 5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 224 1.952 33.177 2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.516 35.915 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 224 3.925 34.382 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.725 35.685 5.723 1.00 0.00 H new ATOM 569 N ALA A 225 -2.648 30.874 3.011 1.00 0.00 N ATOM 570 CA ALA A 225 -3.929 30.395 2.516 1.00 0.00 C ATOM 571 C ALA A 225 -4.557 29.287 3.384 1.00 0.00 C ATOM 572 O ALA A 225 -5.752 29.032 3.244 1.00 0.00 O ATOM 573 CB ALA A 225 -3.754 29.919 1.071 1.00 0.00 C ATOM 0 H ALA A 225 -1.861 30.623 2.412 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.629 31.229 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.709 29.557 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.407 30.748 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.022 29.112 1.040 1.00 0.00 H new ATOM 579 N CYS A 226 -3.790 28.652 4.290 1.00 0.00 N ATOM 580 CA CYS A 226 -4.312 27.674 5.247 1.00 0.00 C ATOM 581 C CYS A 226 -5.216 28.324 6.311 1.00 0.00 C ATOM 582 O CYS A 226 -6.103 27.652 6.834 1.00 0.00 O ATOM 583 CB CYS A 226 -3.145 26.922 5.887 1.00 0.00 C ATOM 584 SG CYS A 226 -3.686 25.392 6.683 1.00 0.00 S ATOM 0 H CYS A 226 -2.786 28.808 4.374 1.00 0.00 H new ATOM 0 HA CYS A 226 -4.942 26.967 4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.400 26.691 5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -2.660 27.563 6.623 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.661 24.790 7.209 1.00 0.00 H new ATOM 590 N VAL A 227 -5.030 29.629 6.577 1.00 0.00 N ATOM 591 CA VAL A 227 -5.896 30.465 7.412 1.00 0.00 C ATOM 592 C VAL A 227 -6.735 31.443 6.577 1.00 0.00 C ATOM 593 O VAL A 227 -7.726 31.989 7.061 1.00 0.00 O ATOM 594 CB VAL A 227 -5.044 31.170 8.489 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.076 32.229 7.944 1.00 0.00 C ATOM 596 CG2 VAL A 227 -5.898 31.786 9.610 1.00 0.00 C ATOM 0 H VAL A 227 -4.237 30.147 6.198 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.622 29.829 7.918 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.438 30.363 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.519 32.672 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.381 31.762 7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.640 33.006 7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.248 32.268 10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.578 32.525 9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.475 31.002 10.101 1.00 0.00 H new ATOM 606 N GLY A 228 -6.338 31.627 5.317 1.00 0.00 N ATOM 607 CA GLY A 228 -6.985 32.484 4.333 1.00 0.00 C ATOM 608 C GLY A 228 -6.340 33.869 4.211 1.00 0.00 C ATOM 609 O GLY A 228 -6.993 34.777 3.696 1.00 0.00 O ATOM 0 H GLY A 228 -5.515 31.157 4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -6.958 31.992 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.035 32.603 4.601 1.00 0.00 H new ATOM 613 N LEU A 229 -5.098 34.057 4.693 1.00 0.00 N ATOM 614 CA LEU A 229 -4.391 35.326 4.596 1.00 0.00 C ATOM 615 C LEU A 229 -3.923 35.602 3.161 1.00 0.00 C ATOM 616 O LEU A 229 -3.745 34.689 2.353 1.00 0.00 O ATOM 617 CB LEU A 229 -3.200 35.357 5.575 1.00 0.00 C ATOM 618 CG LEU A 229 -3.568 35.809 7.003 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.375 35.575 7.939 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.951 37.297 7.070 1.00 0.00 C ATOM 0 H LEU A 229 -4.564 33.325 5.160 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.088 36.117 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.758 34.362 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.436 36.026 5.179 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.433 35.221 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.636 35.895 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.122 34.515 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.518 36.149 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.201 37.562 8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.111 37.904 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.813 37.480 6.428 1.00 0.00 H new ATOM 632 N THR A 230 -3.684 36.891 2.893 1.00 0.00 N ATOM 633 CA THR A 230 -3.218 37.436 1.616 1.00 0.00 C ATOM 634 C THR A 230 -2.102 38.482 1.813 1.00 0.00 C ATOM 635 O THR A 230 -1.573 39.015 0.838 1.00 0.00 O ATOM 636 CB THR A 230 -4.431 37.993 0.848 1.00 0.00 C ATOM 637 OG1 THR A 230 -4.075 38.279 -0.488 1.00 0.00 O ATOM 638 CG2 THR A 230 -5.053 39.246 1.481 1.00 0.00 C ATOM 0 H THR A 230 -3.818 37.617 3.597 1.00 0.00 H new ATOM 0 HA THR A 230 -2.764 36.643 1.021 1.00 0.00 H new ATOM 0 HB THR A 230 -5.188 37.210 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 230 -3.154 38.613 -0.517 1.00 0.00 H new ATOM 0 HG21 THR A 230 -5.901 39.575 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.392 39.013 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.308 40.041 1.523 1.00 0.00 H new ATOM 646 N THR A 231 -1.735 38.746 3.075 1.00 0.00 N ATOM 647 CA THR A 231 -0.647 39.621 3.512 1.00 0.00 C ATOM 648 C THR A 231 0.021 39.017 4.754 1.00 0.00 C ATOM 649 O THR A 231 -0.571 38.181 5.441 1.00 0.00 O ATOM 650 CB THR A 231 -1.161 41.040 3.840 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.227 40.992 4.771 1.00 0.00 O ATOM 652 CG2 THR A 231 -1.615 41.814 2.599 1.00 0.00 C ATOM 0 H THR A 231 -2.224 38.325 3.865 1.00 0.00 H new ATOM 0 HA THR A 231 0.074 39.703 2.699 1.00 0.00 H new ATOM 0 HB THR A 231 -0.312 41.570 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.534 41.902 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.965 42.803 2.895 1.00 0.00 H new ATOM 0 HG22 THR A 231 -0.778 41.917 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.425 41.274 2.110 1.00 0.00 H new ATOM 660 N LYS A 232 1.242 39.480 5.060 1.00 0.00 N ATOM 661 CA LYS A 232 2.005 39.049 6.227 1.00 0.00 C ATOM 662 C LYS A 232 1.833 40.073 7.364 1.00 0.00 C ATOM 663 O LYS A 232 2.289 41.208 7.217 1.00 0.00 O ATOM 664 CB LYS A 232 3.480 38.859 5.836 1.00 0.00 C ATOM 665 CG LYS A 232 4.295 38.285 7.005 1.00 0.00 C ATOM 666 CD LYS A 232 5.724 37.939 6.573 1.00 0.00 C ATOM 667 CE LYS A 232 6.485 37.329 7.753 1.00 0.00 C ATOM 668 NZ LYS A 232 7.867 36.977 7.380 1.00 0.00 N ATOM 0 H LYS A 232 1.729 40.174 4.492 1.00 0.00 H new ATOM 0 HA LYS A 232 1.633 38.090 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.548 38.190 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.904 39.815 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 232 4.325 39.008 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.803 37.392 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.703 37.237 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 232 6.235 38.835 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 232 6.500 38.036 8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.963 36.438 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 8.355 36.566 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.852 36.284 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 8.371 37.832 7.070 1.00 0.00 H new ATOM 682 N PRO A 233 1.195 39.701 8.494 1.00 0.00 N ATOM 683 CA PRO A 233 1.059 40.558 9.669 1.00 0.00 C ATOM 684 C PRO A 233 2.357 40.591 10.498 1.00 0.00 C ATOM 685 O PRO A 233 3.330 39.900 10.190 1.00 0.00 O ATOM 686 CB PRO A 233 -0.103 39.938 10.458 1.00 0.00 C ATOM 687 CG PRO A 233 0.062 38.445 10.189 1.00 0.00 C ATOM 688 CD PRO A 233 0.554 38.415 8.743 1.00 0.00 C ATOM 0 HA PRO A 233 0.867 41.598 9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.037 40.167 11.522 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.069 40.307 10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.780 37.988 10.870 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -0.878 37.906 10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.257 37.596 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.276 38.256 8.055 1.00 0.00 H new ATOM 696 N ARG A 234 2.338 41.369 11.589 1.00 0.00 N ATOM 697 CA ARG A 234 3.363 41.385 12.621 1.00 0.00 C ATOM 698 C ARG A 234 2.654 41.489 13.971 1.00 0.00 C ATOM 699 O ARG A 234 1.723 42.276 14.144 1.00 0.00 O ATOM 700 CB ARG A 234 4.312 42.575 12.425 1.00 0.00 C ATOM 701 CG ARG A 234 5.628 42.398 13.204 1.00 0.00 C ATOM 702 CD ARG A 234 6.279 43.731 13.591 1.00 0.00 C ATOM 703 NE ARG A 234 6.576 44.583 12.428 1.00 0.00 N ATOM 704 CZ ARG A 234 7.044 45.839 12.494 1.00 0.00 C ATOM 705 NH1 ARG A 234 7.315 46.422 13.664 1.00 0.00 N ATOM 706 NH2 ARG A 234 7.245 46.527 11.369 1.00 0.00 N ATOM 0 H ARG A 234 1.579 42.024 11.776 1.00 0.00 H new ATOM 0 HA ARG A 234 3.963 40.477 12.571 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.532 42.692 11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.818 43.490 12.751 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.434 41.819 14.107 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.327 41.821 12.599 1.00 0.00 H new ATOM 0 HD2 ARG A 234 5.617 44.269 14.270 1.00 0.00 H new ATOM 0 HD3 ARG A 234 7.202 43.534 14.136 1.00 0.00 H new ATOM 0 HE ARG A 234 6.414 44.189 11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 234 7.167 45.911 14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 234 7.670 47.378 13.687 1.00 0.00 H new ATOM 0 HH21 ARG A 234 7.043 46.098 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 234 7.601 47.482 11.412 1.00 0.00 H new ATOM 720 N GLY A 235 3.123 40.670 14.909 1.00 0.00 N ATOM 721 CA GLY A 235 2.576 40.526 16.251 1.00 0.00 C ATOM 722 C GLY A 235 2.047 39.112 16.491 1.00 0.00 C ATOM 723 O GLY A 235 2.314 38.188 15.720 1.00 0.00 O ATOM 0 H GLY A 235 3.928 40.065 14.746 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.347 40.757 16.986 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.771 41.246 16.396 1.00 0.00 H new ATOM 727 N LYS A 236 1.286 38.963 17.582 1.00 0.00 N ATOM 728 CA LYS A 236 0.631 37.727 17.968 1.00 0.00 C ATOM 729 C LYS A 236 -0.443 37.358 16.943 1.00 0.00 C ATOM 730 O LYS A 236 -1.403 38.099 16.735 1.00 0.00 O ATOM 731 CB LYS A 236 0.017 37.861 19.373 1.00 0.00 C ATOM 732 CG LYS A 236 1.059 38.030 20.494 1.00 0.00 C ATOM 733 CD LYS A 236 1.220 39.474 20.978 1.00 0.00 C ATOM 734 CE LYS A 236 2.296 39.511 22.068 1.00 0.00 C ATOM 735 NZ LYS A 236 2.470 40.867 22.619 1.00 0.00 N ATOM 0 H LYS A 236 1.110 39.727 18.234 1.00 0.00 H new ATOM 0 HA LYS A 236 1.374 36.930 17.995 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.657 38.718 19.384 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -0.587 36.978 19.581 1.00 0.00 H new ATOM 0 HG2 LYS A 236 0.774 37.403 21.339 1.00 0.00 H new ATOM 0 HG3 LYS A 236 2.023 37.667 20.138 1.00 0.00 H new ATOM 0 HD2 LYS A 236 1.501 40.121 20.148 1.00 0.00 H new ATOM 0 HD3 LYS A 236 0.274 39.849 21.368 1.00 0.00 H new ATOM 0 HE2 LYS A 236 2.025 38.825 22.870 1.00 0.00 H new ATOM 0 HE3 LYS A 236 3.243 39.162 21.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 3.206 40.851 23.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 2.753 41.517 21.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 1.573 41.191 23.035 1.00 0.00 H new ATOM 749 N TRP A 237 -0.274 36.176 16.347 1.00 0.00 N ATOM 750 CA TRP A 237 -1.203 35.539 15.431 1.00 0.00 C ATOM 751 C TRP A 237 -1.453 34.106 15.894 1.00 0.00 C ATOM 752 O TRP A 237 -0.530 33.375 16.253 1.00 0.00 O ATOM 753 CB TRP A 237 -0.622 35.556 14.015 1.00 0.00 C ATOM 754 CG TRP A 237 -1.371 34.742 13.007 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.425 35.142 12.273 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.156 33.352 12.642 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.895 34.092 11.504 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.147 32.945 11.703 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.207 32.397 13.036 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.203 31.628 11.208 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.262 31.084 12.544 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.262 30.686 11.663 1.00 0.00 C ATOM 0 H TRP A 237 0.562 35.613 16.503 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.149 36.080 15.421 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -0.584 36.589 13.668 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.406 35.196 14.057 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.843 36.138 12.283 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.692 34.155 10.871 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.575 32.676 13.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -2.958 31.345 10.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.486 30.369 12.855 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.316 29.660 11.330 1.00 0.00 H new ATOM 773 N PHE A 238 -2.725 33.709 15.830 1.00 0.00 N ATOM 774 CA PHE A 238 -3.209 32.406 16.254 1.00 0.00 C ATOM 775 C PHE A 238 -3.977 31.769 15.097 1.00 0.00 C ATOM 776 O PHE A 238 -4.894 32.361 14.528 1.00 0.00 O ATOM 777 CB PHE A 238 -4.043 32.540 17.538 1.00 0.00 C ATOM 778 CG PHE A 238 -3.198 32.707 18.793 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.576 33.938 19.081 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.005 31.616 19.665 1.00 0.00 C ATOM 781 CE1 PHE A 238 -1.747 34.065 20.210 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.181 31.747 20.797 1.00 0.00 C ATOM 783 CZ PHE A 238 -1.542 32.970 21.064 1.00 0.00 C ATOM 0 H PHE A 238 -3.466 34.310 15.469 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.379 31.745 16.503 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.710 33.397 17.441 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.672 31.657 17.648 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.736 34.787 18.433 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -3.493 30.674 19.462 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -1.266 35.009 20.421 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.039 30.907 21.461 1.00 0.00 H new ATOM 0 HZ PHE A 238 -0.895 33.067 21.924 1.00 0.00 H new ATOM 793 N CYS A 239 -3.527 30.556 14.760 1.00 0.00 N ATOM 794 CA CYS A 239 -3.926 29.742 13.616 1.00 0.00 C ATOM 795 C CYS A 239 -5.429 29.394 13.574 1.00 0.00 C ATOM 796 O CYS A 239 -6.146 29.690 14.531 1.00 0.00 O ATOM 797 CB CYS A 239 -2.979 28.536 13.610 1.00 0.00 C ATOM 798 SG CYS A 239 -3.528 27.225 14.731 1.00 0.00 S ATOM 0 H CYS A 239 -2.821 30.085 15.326 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.824 30.303 12.687 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.907 28.139 12.598 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -1.979 28.861 13.897 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.087 26.078 14.306 1.00 0.00 H new ATOM 804 N PRO A 240 -5.944 28.786 12.482 1.00 0.00 N ATOM 805 CA PRO A 240 -7.380 28.636 12.294 1.00 0.00 C ATOM 806 C PRO A 240 -8.038 27.669 13.283 1.00 0.00 C ATOM 807 O PRO A 240 -9.222 27.826 13.557 1.00 0.00 O ATOM 808 CB PRO A 240 -7.590 28.204 10.839 1.00 0.00 C ATOM 809 CG PRO A 240 -6.265 27.550 10.466 1.00 0.00 C ATOM 810 CD PRO A 240 -5.239 28.308 11.303 1.00 0.00 C ATOM 0 HA PRO A 240 -7.872 29.587 12.499 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.422 27.507 10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -7.812 29.055 10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.264 26.485 10.700 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.059 27.643 9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.410 27.658 11.583 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.816 29.140 10.739 1.00 0.00 H new ATOM 818 N ARG A 241 -7.275 26.729 13.862 1.00 0.00 N ATOM 819 CA ARG A 241 -7.734 25.811 14.899 1.00 0.00 C ATOM 820 C ARG A 241 -7.475 26.346 16.319 1.00 0.00 C ATOM 821 O ARG A 241 -7.603 25.598 17.287 1.00 0.00 O ATOM 822 CB ARG A 241 -7.131 24.415 14.665 1.00 0.00 C ATOM 823 CG ARG A 241 -7.648 23.811 13.350 1.00 0.00 C ATOM 824 CD ARG A 241 -7.262 22.333 13.229 1.00 0.00 C ATOM 825 NE ARG A 241 -7.826 21.726 12.012 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.089 21.298 11.853 1.00 0.00 C ATOM 827 NH1 ARG A 241 -9.995 21.386 12.830 1.00 0.00 N ATOM 828 NH2 ARG A 241 -9.456 20.771 10.685 1.00 0.00 N ATOM 0 H ARG A 241 -6.297 26.588 13.610 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.818 25.725 14.825 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.044 24.484 14.636 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.387 23.759 15.497 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.732 23.911 13.302 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.239 24.367 12.506 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.176 22.240 13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -7.616 21.790 14.105 1.00 0.00 H new ATOM 0 HE ARG A 241 -7.199 21.621 11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -9.736 21.788 13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -10.946 21.051 12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -8.780 20.696 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.412 20.442 10.552 1.00 0.00 H new ATOM 842 N CYS A 242 -7.127 27.636 16.446 1.00 0.00 N ATOM 843 CA CYS A 242 -6.777 28.307 17.683 1.00 0.00 C ATOM 844 C CYS A 242 -7.503 29.645 17.877 1.00 0.00 C ATOM 845 O CYS A 242 -7.496 30.167 18.992 1.00 0.00 O ATOM 846 CB CYS A 242 -5.269 28.556 17.649 1.00 0.00 C ATOM 847 SG CYS A 242 -4.344 27.056 18.070 1.00 0.00 S ATOM 0 H CYS A 242 -7.084 28.261 15.641 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.079 27.671 18.515 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.977 28.899 16.656 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.014 29.352 18.349 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.722 26.620 17.015 1.00 0.00 H new ATOM 853 N SER A 243 -8.123 30.193 16.823 1.00 0.00 N ATOM 854 CA SER A 243 -8.873 31.446 16.881 1.00 0.00 C ATOM 855 C SER A 243 -10.024 31.473 15.872 1.00 0.00 C ATOM 856 O SER A 243 -11.111 31.941 16.211 1.00 0.00 O ATOM 857 CB SER A 243 -7.902 32.607 16.626 1.00 0.00 C ATOM 858 OG SER A 243 -8.560 33.848 16.767 1.00 0.00 O ATOM 0 H SER A 243 -8.115 29.769 15.895 1.00 0.00 H new ATOM 0 HA SER A 243 -9.323 31.541 17.869 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.068 32.550 17.326 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.483 32.524 15.623 1.00 0.00 H new ATOM 0 HG SER A 243 -7.925 34.576 16.602 1.00 0.00 H new ATOM 864 N GLN A 244 -9.804 30.955 14.654 1.00 0.00 N ATOM 865 CA GLN A 244 -10.800 31.024 13.577 1.00 0.00 C ATOM 866 C GLN A 244 -11.935 29.993 13.735 1.00 0.00 C ATOM 867 O GLN A 244 -12.973 30.143 13.090 1.00 0.00 O ATOM 868 CB GLN A 244 -10.105 30.908 12.207 1.00 0.00 C ATOM 869 CG GLN A 244 -10.867 31.578 11.053 1.00 0.00 C ATOM 870 CD GLN A 244 -11.004 33.094 11.226 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.037 33.786 11.532 1.00 0.00 O ATOM 872 NE2 GLN A 244 -12.210 33.626 11.035 1.00 0.00 N ATOM 0 H GLN A 244 -8.940 30.482 14.391 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.284 31.998 13.643 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.112 31.352 12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -9.966 29.853 11.971 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -10.351 31.370 10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.860 31.136 10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -12.997 33.028 10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -12.347 34.631 11.142 1.00 0.00 H new ATOM 881 N GLU A 245 -11.779 28.989 14.617 1.00 0.00 N ATOM 882 CA GLU A 245 -12.845 28.051 14.990 1.00 0.00 C ATOM 883 C GLU A 245 -14.004 28.731 15.744 1.00 0.00 C ATOM 884 O GLU A 245 -15.064 28.121 15.888 1.00 0.00 O ATOM 885 CB GLU A 245 -12.258 26.899 15.829 1.00 0.00 C ATOM 886 CG GLU A 245 -11.690 25.756 14.973 1.00 0.00 C ATOM 887 CD GLU A 245 -12.786 24.947 14.276 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.367 24.067 14.950 1.00 0.00 O ATOM 889 OE2 GLU A 245 -13.022 25.211 13.076 1.00 0.00 O ATOM 0 H GLU A 245 -10.896 28.807 15.095 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.266 27.656 14.065 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.469 27.291 16.471 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.034 26.503 16.484 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -11.015 26.169 14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -11.099 25.093 15.604 1.00 0.00 H new