USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 272 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 -160:sc= -0.256 USER MOD Set 1.2: A 217 CYS SG : rot 110:sc= 0.743 USER MOD Set 1.3: A 239 CYS SG : rot 178:sc= 0.122 USER MOD Set 1.4: A 242 CYS SG : rot 99:sc= 1.26 USER MOD Set 2.1: A 199 CYS SG : rot -106:sc= 0.744 USER MOD Set 2.2: A 201 CYS SG : rot 72:sc= 1.54 USER MOD Set 2.3: A 206 TYR OH : rot 166:sc= 0.0785 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.23 X(o=4.3,f=4.4) USER MOD Set 2.5: A 226 CYS SG : rot -60:sc= 2.14 USER MOD Single : A 197 THR OG1 : rot -26:sc= 0.0659 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.22) USER MOD Single : A 203 GLN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 205 SER OG : rot -6:sc= 0.336 USER MOD Single : A 209 MET CE :methyl -178:sc= -1.25 (180deg=-1.27) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.092 2.673 -8.562 1.00 0.00 N ATOM 149 CA THR A 197 -7.508 1.361 -8.275 1.00 0.00 C ATOM 150 C THR A 197 -5.981 1.469 -8.324 1.00 0.00 C ATOM 151 O THR A 197 -5.462 2.109 -9.241 1.00 0.00 O ATOM 152 CB THR A 197 -7.971 0.341 -9.329 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.627 0.741 -10.642 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.479 0.078 -9.291 1.00 0.00 C ATOM 0 HA THR A 197 -7.830 1.033 -7.287 1.00 0.00 H new ATOM 0 HB THR A 197 -7.447 -0.579 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.556 1.718 -10.678 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.741 -0.650 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.756 -0.312 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.015 1.009 -9.476 1.00 0.00 H new ATOM 162 N TYR A 198 -5.261 0.858 -7.361 1.00 0.00 N ATOM 163 CA TYR A 198 -3.811 1.090 -7.248 1.00 0.00 C ATOM 164 C TYR A 198 -3.014 -0.042 -6.578 1.00 0.00 C ATOM 165 O TYR A 198 -1.939 -0.328 -7.106 1.00 0.00 O ATOM 166 CB TYR A 198 -3.478 2.422 -6.549 1.00 0.00 C ATOM 167 CG TYR A 198 -4.302 3.648 -6.923 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.541 3.894 -6.297 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.835 4.534 -7.914 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.316 5.007 -6.666 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.609 5.646 -8.295 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.858 5.883 -7.674 1.00 0.00 C ATOM 173 OH TYR A 198 -6.623 6.950 -8.047 1.00 0.00 O ATOM 0 H TYR A 198 -5.649 0.217 -6.669 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.490 1.127 -8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.575 2.269 -5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.430 2.650 -6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.897 3.223 -5.529 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.878 4.359 -8.384 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.262 5.192 -6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.250 6.318 -9.061 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.163 7.452 -8.751 1.00 0.00 H new ATOM 183 N CYS A 199 -3.478 -0.712 -5.491 1.00 0.00 N ATOM 184 CA CYS A 199 -2.772 -1.922 -5.017 1.00 0.00 C ATOM 185 C CYS A 199 -2.583 -2.960 -6.135 1.00 0.00 C ATOM 186 O CYS A 199 -3.147 -2.874 -7.227 1.00 0.00 O ATOM 187 CB CYS A 199 -3.336 -2.614 -3.747 1.00 0.00 C ATOM 188 SG CYS A 199 -1.883 -3.270 -2.848 1.00 0.00 S ATOM 0 H CYS A 199 -4.301 -0.447 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.809 -1.516 -4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.891 -1.907 -3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.026 -3.415 -4.012 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.833 -4.561 -2.988 1.00 0.00 H new ATOM 193 N LEU A 200 -1.836 -4.006 -5.787 1.00 0.00 N ATOM 194 CA LEU A 200 -1.639 -5.214 -6.583 1.00 0.00 C ATOM 195 C LEU A 200 -2.964 -5.960 -6.799 1.00 0.00 C ATOM 196 O LEU A 200 -3.011 -6.927 -7.557 1.00 0.00 O ATOM 197 CB LEU A 200 -0.624 -6.149 -5.893 1.00 0.00 C ATOM 198 CG LEU A 200 0.585 -5.456 -5.231 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.454 -6.493 -4.505 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.444 -4.683 -6.241 1.00 0.00 C ATOM 0 H LEU A 200 -1.329 -4.035 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.251 -4.912 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.149 -6.726 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.252 -6.859 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 200 0.188 -4.735 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.305 -5.994 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.862 -6.990 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.813 -7.232 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.281 -4.214 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.824 -5.370 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.838 -3.914 -6.721 1.00 0.00 H new ATOM 212 N CYS A 201 -4.028 -5.507 -6.121 1.00 0.00 N ATOM 213 CA CYS A 201 -5.362 -6.034 -6.191 1.00 0.00 C ATOM 214 C CYS A 201 -6.250 -5.270 -7.179 1.00 0.00 C ATOM 215 O CYS A 201 -7.347 -5.739 -7.480 1.00 0.00 O ATOM 216 CB CYS A 201 -5.940 -5.863 -4.798 1.00 0.00 C ATOM 217 SG CYS A 201 -5.211 -7.019 -3.612 1.00 0.00 S ATOM 0 H CYS A 201 -3.957 -4.718 -5.478 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.329 -7.069 -6.531 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.771 -4.841 -4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.019 -6.012 -4.833 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.988 -6.661 -3.353 1.00 0.00 H new ATOM 222 N HIS A 202 -5.789 -4.091 -7.632 1.00 0.00 N ATOM 223 CA HIS A 202 -6.498 -3.124 -8.460 1.00 0.00 C ATOM 224 C HIS A 202 -7.933 -2.881 -7.970 1.00 0.00 C ATOM 225 O HIS A 202 -8.887 -2.938 -8.744 1.00 0.00 O ATOM 226 CB HIS A 202 -6.340 -3.447 -9.958 1.00 0.00 C ATOM 227 CG HIS A 202 -6.848 -4.802 -10.390 1.00 0.00 C ATOM 228 ND1 HIS A 202 -8.157 -5.142 -10.638 1.00 0.00 N ATOM 229 CD2 HIS A 202 -6.095 -5.928 -10.590 1.00 0.00 C ATOM 230 CE1 HIS A 202 -8.187 -6.444 -10.972 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.951 -6.971 -10.959 1.00 0.00 N ATOM 0 H HIS A 202 -4.845 -3.775 -7.409 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.027 -2.148 -8.344 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.862 -2.683 -10.533 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.284 -3.375 -10.218 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -5.023 -5.999 -10.481 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -9.084 -6.993 -11.218 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.691 -7.933 -11.174 1.00 0.00 H new ATOM 239 N GLN A 203 -8.067 -2.629 -6.659 1.00 0.00 N ATOM 240 CA GLN A 203 -9.314 -2.288 -5.994 1.00 0.00 C ATOM 241 C GLN A 203 -8.978 -1.705 -4.623 1.00 0.00 C ATOM 242 O GLN A 203 -8.005 -2.110 -3.994 1.00 0.00 O ATOM 243 CB GLN A 203 -10.241 -3.516 -5.868 1.00 0.00 C ATOM 244 CG GLN A 203 -9.710 -4.597 -4.917 1.00 0.00 C ATOM 245 CD GLN A 203 -10.419 -5.933 -5.106 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.330 -6.271 -4.357 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.998 -6.710 -6.104 1.00 0.00 N ATOM 0 H GLN A 203 -7.275 -2.661 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.856 -1.551 -6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.220 -3.187 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.386 -3.953 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.641 -4.729 -5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.835 -4.264 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.238 -6.397 -6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.436 -7.617 -6.264 1.00 0.00 H new ATOM 256 N VAL A 204 -9.826 -0.779 -4.181 1.00 0.00 N ATOM 257 CA VAL A 204 -9.824 -0.127 -2.859 1.00 0.00 C ATOM 258 C VAL A 204 -11.230 -0.256 -2.223 1.00 0.00 C ATOM 259 O VAL A 204 -12.053 -1.031 -2.712 1.00 0.00 O ATOM 260 CB VAL A 204 -9.256 1.326 -2.908 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.481 1.669 -1.611 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.297 1.569 -4.088 1.00 0.00 C ATOM 0 H VAL A 204 -10.585 -0.437 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.128 -0.644 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.133 1.963 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.097 2.687 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.150 1.586 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.649 0.975 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.940 2.599 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.449 0.889 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.823 1.392 -5.026 1.00 0.00 H new ATOM 272 N SER A 205 -11.488 0.452 -1.109 1.00 0.00 N ATOM 273 CA SER A 205 -12.708 0.393 -0.287 1.00 0.00 C ATOM 274 C SER A 205 -13.150 -1.036 0.093 1.00 0.00 C ATOM 275 O SER A 205 -14.256 -1.470 -0.229 1.00 0.00 O ATOM 276 CB SER A 205 -13.824 1.276 -0.873 1.00 0.00 C ATOM 277 OG SER A 205 -14.287 0.817 -2.125 1.00 0.00 O ATOM 0 H SER A 205 -10.811 1.119 -0.738 1.00 0.00 H new ATOM 0 HA SER A 205 -12.453 0.828 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 205 -14.659 1.310 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 205 -13.455 2.296 -0.979 1.00 0.00 H new ATOM 0 HG SER A 205 -13.730 0.069 -2.426 1.00 0.00 H new ATOM 283 N TYR A 206 -12.248 -1.766 0.766 1.00 0.00 N ATOM 284 CA TYR A 206 -12.377 -3.165 1.168 1.00 0.00 C ATOM 285 C TYR A 206 -11.520 -3.415 2.418 1.00 0.00 C ATOM 286 O TYR A 206 -10.298 -3.553 2.349 1.00 0.00 O ATOM 287 CB TYR A 206 -12.031 -4.136 0.018 1.00 0.00 C ATOM 288 CG TYR A 206 -10.602 -4.181 -0.531 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.834 -3.008 -0.662 1.00 0.00 C ATOM 290 CD2 TYR A 206 -10.041 -5.407 -0.954 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.553 -3.050 -1.202 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.745 -5.455 -1.513 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.003 -4.259 -1.651 1.00 0.00 C ATOM 294 OH TYR A 206 -6.782 -4.207 -2.250 1.00 0.00 O ATOM 0 H TYR A 206 -11.357 -1.366 1.059 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.420 -3.364 1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.283 -5.142 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.693 -3.903 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.245 -2.063 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.610 -6.319 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.975 -2.141 -1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.324 -6.397 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.413 -5.112 -2.320 1.00 0.00 H new ATOM 304 N GLY A 207 -12.195 -3.440 3.573 1.00 0.00 N ATOM 305 CA GLY A 207 -11.605 -3.576 4.897 1.00 0.00 C ATOM 306 C GLY A 207 -10.809 -2.331 5.286 1.00 0.00 C ATOM 307 O GLY A 207 -11.375 -1.351 5.768 1.00 0.00 O ATOM 0 H GLY A 207 -13.212 -3.362 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -12.392 -3.750 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.951 -4.448 4.917 1.00 0.00 H new ATOM 311 N GLU A 208 -9.493 -2.399 5.070 1.00 0.00 N ATOM 312 CA GLU A 208 -8.494 -1.450 5.544 1.00 0.00 C ATOM 313 C GLU A 208 -7.359 -1.252 4.525 1.00 0.00 C ATOM 314 O GLU A 208 -7.262 -1.975 3.535 1.00 0.00 O ATOM 315 CB GLU A 208 -7.991 -1.943 6.909 1.00 0.00 C ATOM 316 CG GLU A 208 -7.037 -3.146 6.876 1.00 0.00 C ATOM 317 CD GLU A 208 -7.671 -4.427 6.325 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.399 -5.082 7.099 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.431 -4.725 5.133 1.00 0.00 O ATOM 0 H GLU A 208 -9.078 -3.159 4.531 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.939 -0.462 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.486 -1.117 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.855 -2.205 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.169 -2.892 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.674 -3.337 7.886 1.00 0.00 H new ATOM 326 N MET A 209 -6.512 -0.241 4.772 1.00 0.00 N ATOM 327 CA MET A 209 -5.516 0.256 3.820 1.00 0.00 C ATOM 328 C MET A 209 -4.242 0.737 4.519 1.00 0.00 C ATOM 329 O MET A 209 -4.257 1.069 5.705 1.00 0.00 O ATOM 330 CB MET A 209 -6.115 1.445 3.037 1.00 0.00 C ATOM 331 CG MET A 209 -7.347 1.101 2.189 1.00 0.00 C ATOM 332 SD MET A 209 -8.934 1.276 3.052 1.00 0.00 S ATOM 333 CE MET A 209 -9.897 0.037 2.156 1.00 0.00 C ATOM 0 H MET A 209 -6.503 0.262 5.659 1.00 0.00 H new ATOM 0 HA MET A 209 -5.255 -0.568 3.156 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.386 2.229 3.745 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.345 1.857 2.384 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.355 1.742 1.308 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.253 0.074 1.835 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.920 0.030 2.532 1.00 0.00 H new ATOM 0 HE2 MET A 209 -9.902 0.279 1.093 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.450 -0.946 2.302 1.00 0.00 H new ATOM 343 N ILE A 210 -3.153 0.835 3.738 1.00 0.00 N ATOM 344 CA ILE A 210 -1.912 1.485 4.117 1.00 0.00 C ATOM 345 C ILE A 210 -1.513 2.379 2.935 1.00 0.00 C ATOM 346 O ILE A 210 -2.346 3.115 2.405 1.00 0.00 O ATOM 347 CB ILE A 210 -0.872 0.451 4.645 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.395 1.036 5.317 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.446 -0.673 3.682 1.00 0.00 C ATOM 350 CD1 ILE A 210 0.124 2.119 6.366 1.00 0.00 C ATOM 0 H ILE A 210 -3.124 0.447 2.795 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.002 2.144 4.980 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.494 -0.002 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.947 0.223 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.040 1.453 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.279 -1.320 4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.320 -1.259 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.004 -0.237 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.069 2.468 6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.398 2.955 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.492 1.706 7.164 1.00 0.00 H new ATOM 362 N GLY A 211 -0.244 2.342 2.552 1.00 0.00 N ATOM 363 CA GLY A 211 0.369 3.233 1.598 1.00 0.00 C ATOM 364 C GLY A 211 1.818 3.517 1.939 1.00 0.00 C ATOM 365 O GLY A 211 2.156 3.821 3.082 1.00 0.00 O ATOM 0 H GLY A 211 0.411 1.653 2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.310 2.794 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.187 4.170 1.567 1.00 0.00 H new ATOM 369 N CYS A 212 2.658 3.415 0.905 1.00 0.00 N ATOM 370 CA CYS A 212 4.074 3.739 0.974 1.00 0.00 C ATOM 371 C CYS A 212 4.232 5.239 1.236 1.00 0.00 C ATOM 372 O CYS A 212 3.777 6.061 0.440 1.00 0.00 O ATOM 373 CB CYS A 212 4.805 3.311 -0.306 1.00 0.00 C ATOM 374 SG CYS A 212 6.557 3.762 -0.163 1.00 0.00 S ATOM 0 H CYS A 212 2.361 3.098 -0.018 1.00 0.00 H new ATOM 0 HA CYS A 212 4.530 3.186 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.704 2.236 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.360 3.797 -1.174 1.00 0.00 H new ATOM 0 HG CYS A 212 7.095 3.794 -1.346 1.00 0.00 H new ATOM 379 N ASP A 213 4.904 5.566 2.347 1.00 0.00 N ATOM 380 CA ASP A 213 5.172 6.926 2.807 1.00 0.00 C ATOM 381 C ASP A 213 6.220 7.673 1.952 1.00 0.00 C ATOM 382 O ASP A 213 6.631 8.771 2.325 1.00 0.00 O ATOM 383 CB ASP A 213 5.580 6.866 4.287 1.00 0.00 C ATOM 384 CG ASP A 213 4.439 6.384 5.185 1.00 0.00 C ATOM 385 OD1 ASP A 213 3.639 7.248 5.603 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.395 5.164 5.450 1.00 0.00 O ATOM 0 H ASP A 213 5.290 4.858 2.972 1.00 0.00 H new ATOM 0 HA ASP A 213 4.259 7.510 2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.434 6.199 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.903 7.855 4.613 1.00 0.00 H new ATOM 391 N ASP A 214 6.664 7.096 0.822 1.00 0.00 N ATOM 392 CA ASP A 214 7.462 7.774 -0.192 1.00 0.00 C ATOM 393 C ASP A 214 6.556 8.773 -0.936 1.00 0.00 C ATOM 394 O ASP A 214 5.577 8.340 -1.547 1.00 0.00 O ATOM 395 CB ASP A 214 8.018 6.710 -1.155 1.00 0.00 C ATOM 396 CG ASP A 214 8.834 7.259 -2.326 1.00 0.00 C ATOM 397 OD1 ASP A 214 9.382 8.374 -2.195 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.898 6.533 -3.342 1.00 0.00 O ATOM 0 H ASP A 214 6.469 6.122 0.591 1.00 0.00 H new ATOM 0 HA ASP A 214 8.294 8.320 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.643 6.020 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.185 6.131 -1.553 1.00 0.00 H new ATOM 403 N PRO A 215 6.859 10.088 -0.926 1.00 0.00 N ATOM 404 CA PRO A 215 6.084 11.097 -1.648 1.00 0.00 C ATOM 405 C PRO A 215 6.342 11.094 -3.167 1.00 0.00 C ATOM 406 O PRO A 215 5.818 11.955 -3.872 1.00 0.00 O ATOM 407 CB PRO A 215 6.478 12.429 -1.001 1.00 0.00 C ATOM 408 CG PRO A 215 7.940 12.197 -0.625 1.00 0.00 C ATOM 409 CD PRO A 215 7.951 10.729 -0.204 1.00 0.00 C ATOM 0 HA PRO A 215 5.015 10.898 -1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 215 6.365 13.264 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.865 12.652 -0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.608 12.382 -1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 215 8.258 12.853 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.905 10.262 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.815 10.632 0.873 1.00 0.00 H new ATOM 417 N ASP A 216 7.111 10.115 -3.664 1.00 0.00 N ATOM 418 CA ASP A 216 7.376 9.873 -5.078 1.00 0.00 C ATOM 419 C ASP A 216 6.888 8.471 -5.490 1.00 0.00 C ATOM 420 O ASP A 216 7.126 8.043 -6.620 1.00 0.00 O ATOM 421 CB ASP A 216 8.875 10.097 -5.343 1.00 0.00 C ATOM 422 CG ASP A 216 9.218 10.173 -6.834 1.00 0.00 C ATOM 423 OD1 ASP A 216 8.659 11.068 -7.506 1.00 0.00 O ATOM 424 OD2 ASP A 216 10.047 9.347 -7.276 1.00 0.00 O ATOM 0 H ASP A 216 7.584 9.443 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 216 6.818 10.574 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 216 9.190 11.020 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.443 9.287 -4.887 1.00 0.00 H new ATOM 429 N CYS A 217 6.176 7.761 -4.593 1.00 0.00 N ATOM 430 CA CYS A 217 5.541 6.488 -4.900 1.00 0.00 C ATOM 431 C CYS A 217 4.508 6.667 -6.021 1.00 0.00 C ATOM 432 O CYS A 217 3.624 7.521 -5.944 1.00 0.00 O ATOM 433 CB CYS A 217 4.860 5.958 -3.641 1.00 0.00 C ATOM 434 SG CYS A 217 4.153 4.320 -3.933 1.00 0.00 S ATOM 0 H CYS A 217 6.031 8.067 -3.631 1.00 0.00 H new ATOM 0 HA CYS A 217 6.295 5.777 -5.237 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.582 5.907 -2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 217 4.075 6.647 -3.329 1.00 0.00 H new ATOM 0 HG CYS A 217 4.837 3.429 -3.278 1.00 0.00 H new ATOM 440 N SER A 218 4.619 5.813 -7.042 1.00 0.00 N ATOM 441 CA SER A 218 3.797 5.833 -8.256 1.00 0.00 C ATOM 442 C SER A 218 2.422 5.162 -8.074 1.00 0.00 C ATOM 443 O SER A 218 1.680 5.029 -9.046 1.00 0.00 O ATOM 444 CB SER A 218 4.563 5.134 -9.390 1.00 0.00 C ATOM 445 OG SER A 218 5.845 5.700 -9.574 1.00 0.00 O ATOM 0 H SER A 218 5.309 5.061 -7.047 1.00 0.00 H new ATOM 0 HA SER A 218 3.604 6.878 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.662 4.072 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.994 5.211 -10.316 1.00 0.00 H new ATOM 0 HG SER A 218 6.308 5.233 -10.301 1.00 0.00 H new ATOM 451 N ILE A 219 2.101 4.711 -6.851 1.00 0.00 N ATOM 452 CA ILE A 219 0.946 3.868 -6.528 1.00 0.00 C ATOM 453 C ILE A 219 0.229 4.399 -5.269 1.00 0.00 C ATOM 454 O ILE A 219 -0.997 4.340 -5.195 1.00 0.00 O ATOM 455 CB ILE A 219 1.444 2.405 -6.369 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.959 1.831 -7.714 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.333 1.517 -5.792 1.00 0.00 C ATOM 458 CD1 ILE A 219 2.556 0.418 -7.633 1.00 0.00 C ATOM 0 H ILE A 219 2.663 4.934 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 219 0.207 3.894 -7.329 1.00 0.00 H new ATOM 0 HB ILE A 219 2.281 2.413 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 219 1.134 1.820 -8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.716 2.506 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.700 0.496 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.034 1.897 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.526 1.527 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 219 2.887 0.106 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 219 3.406 0.421 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.799 -0.276 -7.268 1.00 0.00 H new ATOM 470 N GLU A 220 0.999 4.962 -4.326 1.00 0.00 N ATOM 471 CA GLU A 220 0.590 5.715 -3.133 1.00 0.00 C ATOM 472 C GLU A 220 -0.017 4.867 -1.996 1.00 0.00 C ATOM 473 O GLU A 220 0.413 5.028 -0.857 1.00 0.00 O ATOM 474 CB GLU A 220 -0.226 6.969 -3.538 1.00 0.00 C ATOM 475 CG GLU A 220 -1.636 7.135 -2.943 1.00 0.00 C ATOM 476 CD GLU A 220 -1.632 7.493 -1.450 1.00 0.00 C ATOM 477 OE1 GLU A 220 -0.943 8.473 -1.093 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.332 6.789 -0.688 1.00 0.00 O ATOM 0 H GLU A 220 2.015 4.895 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 220 1.501 6.075 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.357 7.849 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.319 6.971 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.165 7.913 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.193 6.209 -3.085 1.00 0.00 H new ATOM 485 N TRP A 221 -0.943 3.943 -2.293 1.00 0.00 N ATOM 486 CA TRP A 221 -1.674 3.123 -1.320 1.00 0.00 C ATOM 487 C TRP A 221 -1.497 1.640 -1.674 1.00 0.00 C ATOM 488 O TRP A 221 -1.364 1.268 -2.840 1.00 0.00 O ATOM 489 CB TRP A 221 -3.144 3.559 -1.230 1.00 0.00 C ATOM 490 CG TRP A 221 -4.085 2.650 -1.898 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.494 2.733 -3.172 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.618 1.418 -1.361 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.157 1.570 -3.500 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.223 0.703 -2.428 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.555 0.803 -0.097 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.702 -0.599 -2.257 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.101 -0.475 0.095 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.624 -1.192 -0.985 1.00 0.00 C ATOM 0 H TRP A 221 -1.212 3.740 -3.256 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.263 3.271 -0.321 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.422 3.644 -0.180 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.244 4.552 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.331 3.572 -3.832 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.550 1.374 -4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.085 1.317 0.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.126 -1.141 -3.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.117 -0.908 1.084 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -5.969 -2.205 -0.842 1.00 0.00 H new ATOM 509 N PHE A 222 -1.514 0.797 -0.640 1.00 0.00 N ATOM 510 CA PHE A 222 -1.281 -0.643 -0.730 1.00 0.00 C ATOM 511 C PHE A 222 -2.072 -1.338 0.368 1.00 0.00 C ATOM 512 O PHE A 222 -2.417 -0.730 1.378 1.00 0.00 O ATOM 513 CB PHE A 222 0.203 -0.968 -0.511 1.00 0.00 C ATOM 514 CG PHE A 222 1.115 -0.484 -1.611 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.543 0.854 -1.612 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.499 -1.351 -2.651 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.316 1.344 -2.667 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.311 -0.872 -3.689 1.00 0.00 C ATOM 519 CZ PHE A 222 2.719 0.472 -3.690 1.00 0.00 C ATOM 0 H PHE A 222 -1.696 1.109 0.314 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.588 -0.981 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.524 -0.525 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.315 -2.048 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.273 1.506 -0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.170 -2.380 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.601 2.385 -2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.621 -1.534 -4.484 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.350 0.838 -4.487 1.00 0.00 H new ATOM 529 N HIS A 223 -2.346 -2.626 0.169 1.00 0.00 N ATOM 530 CA HIS A 223 -3.228 -3.383 1.037 1.00 0.00 C ATOM 531 C HIS A 223 -2.454 -4.016 2.195 1.00 0.00 C ATOM 532 O HIS A 223 -1.323 -4.475 2.035 1.00 0.00 O ATOM 533 CB HIS A 223 -3.978 -4.405 0.173 1.00 0.00 C ATOM 534 CG HIS A 223 -5.264 -4.932 0.749 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.723 -6.236 0.572 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.210 -4.209 1.422 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.915 -6.278 1.192 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.232 -5.078 1.708 1.00 0.00 N ATOM 0 H HIS A 223 -1.959 -3.170 -0.602 1.00 0.00 H new ATOM 0 HA HIS A 223 -3.960 -2.729 1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.195 -3.947 -0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.314 -5.249 -0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.162 -3.161 1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.536 -7.159 1.266 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.084 -4.853 2.222 1.00 0.00 H new ATOM 546 N PHE A 224 -3.125 -4.065 3.349 1.00 0.00 N ATOM 547 CA PHE A 224 -2.747 -4.786 4.571 1.00 0.00 C ATOM 548 C PHE A 224 -2.524 -6.293 4.371 1.00 0.00 C ATOM 549 O PHE A 224 -2.041 -6.943 5.295 1.00 0.00 O ATOM 550 CB PHE A 224 -3.856 -4.587 5.623 1.00 0.00 C ATOM 551 CG PHE A 224 -3.593 -3.584 6.735 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.110 -2.291 6.452 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.944 -3.920 8.057 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.982 -1.347 7.488 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.844 -2.967 9.082 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.360 -1.680 8.800 1.00 0.00 C ATOM 0 H PHE A 224 -4.008 -3.568 3.464 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.791 -4.372 4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.764 -4.282 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.062 -5.554 6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.838 -2.025 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -4.292 -4.917 8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.592 -0.363 7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -4.140 -3.224 10.088 1.00 0.00 H new ATOM 0 HZ PHE A 224 -3.278 -0.947 9.589 1.00 0.00 H new ATOM 566 N ALA A 225 -2.844 -6.844 3.193 1.00 0.00 N ATOM 567 CA ALA A 225 -2.580 -8.221 2.824 1.00 0.00 C ATOM 568 C ALA A 225 -1.734 -8.330 1.548 1.00 0.00 C ATOM 569 O ALA A 225 -1.271 -9.427 1.239 1.00 0.00 O ATOM 570 CB ALA A 225 -3.906 -8.981 2.709 1.00 0.00 C ATOM 0 H ALA A 225 -3.309 -6.317 2.453 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.982 -8.683 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.709 -10.017 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.425 -8.954 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.529 -8.513 1.946 1.00 0.00 H new ATOM 576 N CYS A 226 -1.471 -7.215 0.841 1.00 0.00 N ATOM 577 CA CYS A 226 -0.487 -7.176 -0.239 1.00 0.00 C ATOM 578 C CYS A 226 0.964 -7.118 0.273 1.00 0.00 C ATOM 579 O CYS A 226 1.896 -7.177 -0.528 1.00 0.00 O ATOM 580 CB CYS A 226 -0.807 -6.017 -1.157 1.00 0.00 C ATOM 581 SG CYS A 226 -2.076 -6.551 -2.334 1.00 0.00 S ATOM 0 H CYS A 226 -1.937 -6.323 1.007 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.556 -8.110 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.161 -5.163 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.089 -5.694 -1.687 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.629 -7.555 -3.029 1.00 0.00 H new ATOM 587 N VAL A 227 1.142 -7.045 1.599 1.00 0.00 N ATOM 588 CA VAL A 227 2.413 -7.199 2.308 1.00 0.00 C ATOM 589 C VAL A 227 2.270 -8.191 3.485 1.00 0.00 C ATOM 590 O VAL A 227 3.239 -8.472 4.187 1.00 0.00 O ATOM 591 CB VAL A 227 2.936 -5.804 2.707 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.018 -5.124 3.731 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.386 -5.833 3.221 1.00 0.00 C ATOM 0 H VAL A 227 0.364 -6.868 2.234 1.00 0.00 H new ATOM 0 HA VAL A 227 3.167 -7.645 1.659 1.00 0.00 H new ATOM 0 HB VAL A 227 2.930 -5.212 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.421 -4.144 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.021 -5.007 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.959 -5.737 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.698 -4.823 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.448 -6.474 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.041 -6.222 2.441 1.00 0.00 H new ATOM 603 N GLY A 228 1.061 -8.737 3.688 1.00 0.00 N ATOM 604 CA GLY A 228 0.722 -9.654 4.775 1.00 0.00 C ATOM 605 C GLY A 228 0.806 -9.004 6.161 1.00 0.00 C ATOM 606 O GLY A 228 1.130 -9.691 7.129 1.00 0.00 O ATOM 0 H GLY A 228 0.269 -8.542 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.288 -10.034 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.394 -10.511 4.741 1.00 0.00 H new ATOM 610 N LEU A 229 0.567 -7.686 6.247 1.00 0.00 N ATOM 611 CA LEU A 229 0.779 -6.887 7.453 1.00 0.00 C ATOM 612 C LEU A 229 -0.145 -7.306 8.599 1.00 0.00 C ATOM 613 O LEU A 229 0.329 -7.495 9.717 1.00 0.00 O ATOM 614 CB LEU A 229 0.571 -5.386 7.143 1.00 0.00 C ATOM 615 CG LEU A 229 1.860 -4.549 7.244 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.560 -3.124 6.761 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.444 -4.504 8.667 1.00 0.00 C ATOM 0 H LEU A 229 0.214 -7.140 5.461 1.00 0.00 H new ATOM 0 HA LEU A 229 1.806 -7.062 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.160 -5.285 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.170 -4.981 7.832 1.00 0.00 H new ATOM 0 HG LEU A 229 2.612 -5.027 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.465 -2.519 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 229 1.219 -3.155 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.783 -2.684 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.350 -3.899 8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.713 -4.066 9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.683 -5.516 8.995 1.00 0.00 H new ATOM 746 N TRP A 237 6.387 3.328 6.526 1.00 0.00 N ATOM 747 CA TRP A 237 6.348 2.058 5.809 1.00 0.00 C ATOM 748 C TRP A 237 6.682 2.285 4.328 1.00 0.00 C ATOM 749 O TRP A 237 6.555 3.398 3.814 1.00 0.00 O ATOM 750 CB TRP A 237 4.957 1.449 5.990 1.00 0.00 C ATOM 751 CG TRP A 237 4.701 0.127 5.320 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.994 -1.096 5.817 1.00 0.00 C ATOM 753 CD2 TRP A 237 4.130 -0.123 3.999 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.647 -2.073 4.903 1.00 0.00 N ATOM 755 CE2 TRP A 237 4.119 -1.526 3.750 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.660 0.711 2.967 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.660 -2.066 2.535 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.204 0.185 1.744 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.192 -1.203 1.534 1.00 0.00 C ATOM 0 HA TRP A 237 7.091 1.366 6.205 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.776 1.329 7.058 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.223 2.165 5.620 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.434 -1.282 6.785 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.766 -3.074 5.060 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.649 1.780 3.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.668 -3.134 2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.862 0.851 0.965 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.823 -1.606 0.602 1.00 0.00 H new ATOM 770 N PHE A 238 7.089 1.211 3.639 1.00 0.00 N ATOM 771 CA PHE A 238 7.406 1.227 2.216 1.00 0.00 C ATOM 772 C PHE A 238 6.881 -0.042 1.547 1.00 0.00 C ATOM 773 O PHE A 238 6.956 -1.130 2.120 1.00 0.00 O ATOM 774 CB PHE A 238 8.922 1.346 1.993 1.00 0.00 C ATOM 775 CG PHE A 238 9.571 2.575 2.609 1.00 0.00 C ATOM 776 CD1 PHE A 238 10.066 2.525 3.927 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.691 3.767 1.868 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.676 3.656 4.499 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.304 4.896 2.437 1.00 0.00 C ATOM 780 CZ PHE A 238 10.799 4.839 3.753 1.00 0.00 C ATOM 0 H PHE A 238 7.207 0.293 4.068 1.00 0.00 H new ATOM 0 HA PHE A 238 6.923 2.096 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.404 0.457 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.116 1.351 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.977 1.614 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.310 3.813 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 238 11.050 3.614 5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 238 10.395 5.807 1.865 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.274 5.705 4.189 1.00 0.00 H new ATOM 790 N CYS A 239 6.381 0.101 0.312 1.00 0.00 N ATOM 791 CA CYS A 239 5.942 -1.014 -0.512 1.00 0.00 C ATOM 792 C CYS A 239 7.136 -1.852 -1.003 1.00 0.00 C ATOM 793 O CYS A 239 8.270 -1.370 -0.938 1.00 0.00 O ATOM 794 CB CYS A 239 5.068 -0.437 -1.628 1.00 0.00 C ATOM 795 SG CYS A 239 6.024 0.377 -2.930 1.00 0.00 S ATOM 0 H CYS A 239 6.272 1.009 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 239 5.342 -1.723 0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.475 -1.239 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.367 0.279 -1.199 1.00 0.00 H new ATOM 0 HG CYS A 239 5.219 0.807 -3.855 1.00 0.00 H new ATOM 801 N PRO A 240 6.916 -3.082 -1.515 1.00 0.00 N ATOM 802 CA PRO A 240 7.975 -3.965 -2.014 1.00 0.00 C ATOM 803 C PRO A 240 8.551 -3.512 -3.376 1.00 0.00 C ATOM 804 O PRO A 240 8.972 -4.345 -4.178 1.00 0.00 O ATOM 805 CB PRO A 240 7.338 -5.363 -2.041 1.00 0.00 C ATOM 806 CG PRO A 240 5.872 -5.071 -2.337 1.00 0.00 C ATOM 807 CD PRO A 240 5.633 -3.778 -1.562 1.00 0.00 C ATOM 0 HA PRO A 240 8.855 -3.948 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.786 -5.995 -2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 240 7.462 -5.880 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.690 -4.945 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 240 5.220 -5.876 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.877 -3.165 -2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 240 5.269 -3.990 -0.557 1.00 0.00 H new ATOM 815 N ARG A 241 8.574 -2.194 -3.637 1.00 0.00 N ATOM 816 CA ARG A 241 9.150 -1.578 -4.829 1.00 0.00 C ATOM 817 C ARG A 241 9.966 -0.342 -4.436 1.00 0.00 C ATOM 818 O ARG A 241 11.028 -0.096 -5.002 1.00 0.00 O ATOM 819 CB ARG A 241 8.047 -1.176 -5.828 1.00 0.00 C ATOM 820 CG ARG A 241 7.086 -2.310 -6.223 1.00 0.00 C ATOM 821 CD ARG A 241 6.048 -1.794 -7.227 1.00 0.00 C ATOM 822 NE ARG A 241 5.042 -2.818 -7.555 1.00 0.00 N ATOM 823 CZ ARG A 241 5.172 -3.790 -8.471 1.00 0.00 C ATOM 824 NH1 ARG A 241 6.290 -3.943 -9.186 1.00 0.00 N ATOM 825 NH2 ARG A 241 4.158 -4.630 -8.678 1.00 0.00 N ATOM 0 H ARG A 241 8.175 -1.509 -2.995 1.00 0.00 H new ATOM 0 HA ARG A 241 9.803 -2.307 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.466 -0.361 -5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.519 -0.788 -6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.646 -3.137 -6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.585 -2.698 -5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.551 -0.916 -6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.553 -1.476 -8.139 1.00 0.00 H new ATOM 0 HE ARG A 241 4.164 -2.785 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 241 7.077 -3.310 -9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.356 -4.692 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 241 3.295 -4.530 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 241 4.245 -5.373 -9.372 1.00 0.00 H new ATOM 839 N CYS A 242 9.481 0.399 -3.433 1.00 0.00 N ATOM 840 CA CYS A 242 10.113 1.527 -2.793 1.00 0.00 C ATOM 841 C CYS A 242 11.174 1.090 -1.774 1.00 0.00 C ATOM 842 O CYS A 242 12.163 1.797 -1.586 1.00 0.00 O ATOM 843 CB CYS A 242 8.958 2.231 -2.091 1.00 0.00 C ATOM 844 SG CYS A 242 8.032 3.274 -3.258 1.00 0.00 S ATOM 0 H CYS A 242 8.567 0.199 -3.027 1.00 0.00 H new ATOM 0 HA CYS A 242 10.641 2.160 -3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.290 1.492 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.342 2.843 -1.275 1.00 0.00 H new ATOM 0 HG CYS A 242 6.963 2.645 -3.648 1.00 0.00 H new