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 10:sc= -1.24 USER MOD Set 1.2: A 239 CYS SG : rot 180:sc= 0.439 USER MOD Set 1.3: A 242 CYS SG : rot 97:sc= 0.284 USER MOD Set 2.1: A 199 CYS SG : rot -161:sc= -0.742 USER MOD Set 2.2: A 201 CYS SG : rot 82:sc= 1.2 USER MOD Set 2.3: A 206 TYR OH : rot 173:sc= 0.106 USER MOD Set 2.4: A 223 HIS :FLIP no HD1:sc= -0.123 F(o=-0.27,f=0.46) USER MOD Set 2.5: A 226 CYS SG : rot -30:sc= 0.0241 USER MOD Single : A 197 THR OG1 : rot -29:sc= 0.0681 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.25) USER MOD Single : A 203 GLN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 CYS SG : rot 130:sc= 0.678 USER MOD Single : A 218 SER OG : rot -48:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -7.984 2.754 -8.927 1.00 0.00 N ATOM 149 CA THR A 197 -7.305 1.487 -8.660 1.00 0.00 C ATOM 150 C THR A 197 -5.789 1.727 -8.652 1.00 0.00 C ATOM 151 O THR A 197 -5.305 2.484 -9.497 1.00 0.00 O ATOM 152 CB THR A 197 -7.642 0.468 -9.766 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.258 0.935 -11.046 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.127 0.090 -9.829 1.00 0.00 C ATOM 0 HA THR A 197 -7.633 1.097 -7.696 1.00 0.00 H new ATOM 0 HB THR A 197 -7.071 -0.420 -9.494 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.289 1.914 -11.060 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.285 -0.630 -10.631 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.431 -0.351 -8.880 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.722 0.983 -10.021 1.00 0.00 H new ATOM 162 N TYR A 198 -5.036 1.092 -7.733 1.00 0.00 N ATOM 163 CA TYR A 198 -3.591 1.364 -7.619 1.00 0.00 C ATOM 164 C TYR A 198 -2.766 0.223 -7.009 1.00 0.00 C ATOM 165 O TYR A 198 -1.700 -0.068 -7.550 1.00 0.00 O ATOM 166 CB TYR A 198 -3.312 2.622 -6.786 1.00 0.00 C ATOM 167 CG TYR A 198 -4.142 3.866 -7.055 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.385 4.042 -6.414 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.660 4.864 -7.925 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.136 5.209 -6.622 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.417 6.027 -8.157 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.659 6.205 -7.503 1.00 0.00 C ATOM 173 OH TYR A 198 -6.390 7.335 -7.718 1.00 0.00 O ATOM 0 H TYR A 198 -5.394 0.402 -7.073 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.278 1.494 -8.655 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.438 2.359 -5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.264 2.886 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.763 3.272 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.706 4.736 -8.415 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.077 5.345 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.050 6.784 -8.834 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.917 7.915 -8.350 1.00 0.00 H new ATOM 183 N CYS A 199 -3.227 -0.408 -5.908 1.00 0.00 N ATOM 184 CA CYS A 199 -2.701 -1.648 -5.337 1.00 0.00 C ATOM 185 C CYS A 199 -2.290 -2.691 -6.375 1.00 0.00 C ATOM 186 O CYS A 199 -2.672 -2.661 -7.545 1.00 0.00 O ATOM 187 CB CYS A 199 -3.819 -2.316 -4.512 1.00 0.00 C ATOM 188 SG CYS A 199 -5.396 -2.210 -5.304 1.00 0.00 S ATOM 0 H CYS A 199 -4.015 -0.042 -5.374 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.822 -1.359 -4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.568 -3.364 -4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.875 -1.843 -3.532 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.336 -2.408 -4.428 1.00 0.00 H new ATOM 193 N LEU A 200 -1.626 -3.723 -5.855 1.00 0.00 N ATOM 194 CA LEU A 200 -1.355 -4.945 -6.596 1.00 0.00 C ATOM 195 C LEU A 200 -2.652 -5.740 -6.795 1.00 0.00 C ATOM 196 O LEU A 200 -2.636 -6.737 -7.514 1.00 0.00 O ATOM 197 CB LEU A 200 -0.303 -5.808 -5.871 1.00 0.00 C ATOM 198 CG LEU A 200 0.828 -5.027 -5.172 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.739 -5.996 -4.409 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.670 -4.197 -6.154 1.00 0.00 C ATOM 0 H LEU A 200 -1.261 -3.730 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 200 -0.954 -4.672 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.812 -6.421 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.143 -6.490 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 200 0.353 -4.331 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.535 -5.437 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.155 -6.530 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.175 -6.711 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.451 -3.668 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.127 -4.858 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.030 -3.475 -6.662 1.00 0.00 H new ATOM 212 N CYS A 201 -3.766 -5.303 -6.175 1.00 0.00 N ATOM 213 CA CYS A 201 -5.066 -5.890 -6.362 1.00 0.00 C ATOM 214 C CYS A 201 -5.894 -5.119 -7.402 1.00 0.00 C ATOM 215 O CYS A 201 -6.918 -5.632 -7.851 1.00 0.00 O ATOM 216 CB CYS A 201 -5.744 -5.825 -5.008 1.00 0.00 C ATOM 217 SG CYS A 201 -4.958 -6.912 -3.785 1.00 0.00 S ATOM 0 H CYS A 201 -3.765 -4.518 -5.524 1.00 0.00 H new ATOM 0 HA CYS A 201 -4.978 -6.911 -6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.723 -4.798 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.792 -6.103 -5.116 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.918 -6.317 -3.280 1.00 0.00 H new ATOM 222 N HIS A 202 -5.448 -3.900 -7.750 1.00 0.00 N ATOM 223 CA HIS A 202 -6.122 -2.924 -8.608 1.00 0.00 C ATOM 224 C HIS A 202 -7.614 -2.753 -8.261 1.00 0.00 C ATOM 225 O HIS A 202 -8.481 -2.895 -9.121 1.00 0.00 O ATOM 226 CB HIS A 202 -5.795 -3.168 -10.094 1.00 0.00 C ATOM 227 CG HIS A 202 -6.166 -4.530 -10.630 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.415 -4.936 -11.039 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.324 -5.599 -10.789 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.322 -6.221 -11.426 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.064 -6.672 -11.294 1.00 0.00 N ATOM 0 H HIS A 202 -4.549 -3.553 -7.415 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.713 -1.936 -8.396 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.307 -2.412 -10.689 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.725 -3.019 -10.241 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.268 -5.611 -10.563 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.148 -6.811 -11.794 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -5.719 -7.606 -11.517 1.00 0.00 H new ATOM 239 N GLN A 203 -7.899 -2.473 -6.976 1.00 0.00 N ATOM 240 CA GLN A 203 -9.234 -2.250 -6.424 1.00 0.00 C ATOM 241 C GLN A 203 -9.071 -1.715 -5.000 1.00 0.00 C ATOM 242 O GLN A 203 -8.199 -2.182 -4.278 1.00 0.00 O ATOM 243 CB GLN A 203 -10.072 -3.548 -6.424 1.00 0.00 C ATOM 244 CG GLN A 203 -9.494 -4.679 -5.555 1.00 0.00 C ATOM 245 CD GLN A 203 -10.148 -6.022 -5.864 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.110 -6.416 -5.213 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.624 -6.739 -6.858 1.00 0.00 N ATOM 0 H GLN A 203 -7.168 -2.394 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.769 -1.530 -7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.078 -3.316 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.165 -3.906 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.419 -4.752 -5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.639 -4.438 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.824 -6.380 -7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.024 -7.646 -7.098 1.00 0.00 H new ATOM 256 N VAL A 204 -9.909 -0.756 -4.603 1.00 0.00 N ATOM 257 CA VAL A 204 -9.855 -0.057 -3.300 1.00 0.00 C ATOM 258 C VAL A 204 -11.234 -0.075 -2.601 1.00 0.00 C ATOM 259 O VAL A 204 -12.232 -0.474 -3.199 1.00 0.00 O ATOM 260 CB VAL A 204 -9.256 1.376 -3.436 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.568 1.836 -2.127 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.232 1.490 -4.580 1.00 0.00 C ATOM 0 H VAL A 204 -10.673 -0.427 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.171 -0.604 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.107 2.019 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.163 2.839 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.297 1.845 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.759 1.148 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.850 2.510 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.407 0.801 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.713 1.240 -5.525 1.00 0.00 H new ATOM 272 N SER A 205 -11.272 0.344 -1.322 1.00 0.00 N ATOM 273 CA SER A 205 -12.428 0.318 -0.415 1.00 0.00 C ATOM 274 C SER A 205 -12.889 -1.112 -0.063 1.00 0.00 C ATOM 275 O SER A 205 -13.969 -1.550 -0.455 1.00 0.00 O ATOM 276 CB SER A 205 -13.547 1.242 -0.926 1.00 0.00 C ATOM 277 OG SER A 205 -14.492 1.484 0.096 1.00 0.00 O ATOM 0 H SER A 205 -10.444 0.733 -0.870 1.00 0.00 H new ATOM 0 HA SER A 205 -12.110 0.728 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.121 2.186 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.040 0.786 -1.785 1.00 0.00 H new ATOM 0 HG SER A 205 -15.197 2.074 -0.243 1.00 0.00 H new ATOM 283 N TYR A 206 -12.025 -1.842 0.658 1.00 0.00 N ATOM 284 CA TYR A 206 -12.178 -3.247 1.042 1.00 0.00 C ATOM 285 C TYR A 206 -11.178 -3.552 2.168 1.00 0.00 C ATOM 286 O TYR A 206 -9.964 -3.543 1.954 1.00 0.00 O ATOM 287 CB TYR A 206 -11.992 -4.210 -0.160 1.00 0.00 C ATOM 288 CG TYR A 206 -10.607 -4.294 -0.800 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.923 -3.117 -1.145 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.983 -5.538 -1.048 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.627 -3.165 -1.643 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.692 -5.594 -1.622 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.004 -4.393 -1.911 1.00 0.00 C ATOM 294 OH TYR A 206 -6.763 -4.353 -2.476 1.00 0.00 O ATOM 0 H TYR A 206 -11.154 -1.443 1.006 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.196 -3.410 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.271 -5.212 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.701 -3.919 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.411 -2.162 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.497 -6.454 -0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.092 -2.245 -1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.234 -6.548 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.390 -5.258 -2.510 1.00 0.00 H new ATOM 304 N GLY A 207 -11.692 -3.792 3.382 1.00 0.00 N ATOM 305 CA GLY A 207 -10.903 -3.992 4.577 1.00 0.00 C ATOM 306 C GLY A 207 -10.054 -2.775 4.929 1.00 0.00 C ATOM 307 O GLY A 207 -10.256 -1.653 4.463 1.00 0.00 O ATOM 0 H GLY A 207 -12.696 -3.851 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.566 -4.222 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.253 -4.856 4.439 1.00 0.00 H new ATOM 311 N GLU A 208 -9.090 -3.068 5.791 1.00 0.00 N ATOM 312 CA GLU A 208 -7.976 -2.205 6.172 1.00 0.00 C ATOM 313 C GLU A 208 -7.032 -1.954 4.979 1.00 0.00 C ATOM 314 O GLU A 208 -6.884 -2.792 4.089 1.00 0.00 O ATOM 315 CB GLU A 208 -7.252 -2.769 7.412 1.00 0.00 C ATOM 316 CG GLU A 208 -6.923 -4.274 7.399 1.00 0.00 C ATOM 317 CD GLU A 208 -8.114 -5.164 7.767 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.462 -5.188 8.968 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.662 -5.801 6.841 1.00 0.00 O ATOM 0 H GLU A 208 -9.061 -3.967 6.272 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.368 -1.228 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.320 -2.219 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.868 -2.563 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.566 -4.551 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.108 -4.465 8.097 1.00 0.00 H new ATOM 326 N MET A 209 -6.405 -0.768 4.969 1.00 0.00 N ATOM 327 CA MET A 209 -5.662 -0.191 3.842 1.00 0.00 C ATOM 328 C MET A 209 -4.494 0.654 4.360 1.00 0.00 C ATOM 329 O MET A 209 -4.530 1.124 5.499 1.00 0.00 O ATOM 330 CB MET A 209 -6.637 0.688 3.032 1.00 0.00 C ATOM 331 CG MET A 209 -7.774 -0.133 2.400 1.00 0.00 C ATOM 332 SD MET A 209 -8.820 0.739 1.207 1.00 0.00 S ATOM 333 CE MET A 209 -9.692 1.879 2.312 1.00 0.00 C ATOM 0 H MET A 209 -6.403 -0.157 5.786 1.00 0.00 H new ATOM 0 HA MET A 209 -5.254 -0.981 3.212 1.00 0.00 H new ATOM 0 HB2 MET A 209 -7.062 1.451 3.684 1.00 0.00 H new ATOM 0 HB3 MET A 209 -6.088 1.208 2.247 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.336 -0.999 1.904 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.409 -0.512 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.380 2.493 1.732 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.251 1.310 3.054 1.00 0.00 H new ATOM 0 HE3 MET A 209 -8.970 2.521 2.816 1.00 0.00 H new ATOM 343 N ILE A 210 -3.461 0.854 3.523 1.00 0.00 N ATOM 344 CA ILE A 210 -2.260 1.589 3.894 1.00 0.00 C ATOM 345 C ILE A 210 -1.821 2.436 2.694 1.00 0.00 C ATOM 346 O ILE A 210 -2.648 3.081 2.051 1.00 0.00 O ATOM 347 CB ILE A 210 -1.215 0.620 4.533 1.00 0.00 C ATOM 348 CG1 ILE A 210 -0.024 1.277 5.276 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.680 -0.502 3.623 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.422 2.367 6.276 1.00 0.00 C ATOM 0 H ILE A 210 -3.445 0.504 2.565 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.426 2.315 4.690 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.860 0.164 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.530 0.502 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.654 1.708 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.037 -1.109 4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.508 -1.129 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.190 -0.063 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.473 2.771 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.948 3.166 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.074 1.941 7.038 1.00 0.00 H new ATOM 362 N GLY A 211 -0.520 2.474 2.436 1.00 0.00 N ATOM 363 CA GLY A 211 0.137 3.357 1.500 1.00 0.00 C ATOM 364 C GLY A 211 1.570 3.661 1.892 1.00 0.00 C ATOM 365 O GLY A 211 1.858 3.985 3.043 1.00 0.00 O ATOM 0 H GLY A 211 0.137 1.850 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.124 2.904 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.423 4.290 1.432 1.00 0.00 H new ATOM 369 N CYS A 212 2.451 3.545 0.892 1.00 0.00 N ATOM 370 CA CYS A 212 3.873 3.841 1.018 1.00 0.00 C ATOM 371 C CYS A 212 4.042 5.332 1.319 1.00 0.00 C ATOM 372 O CYS A 212 3.554 6.176 0.567 1.00 0.00 O ATOM 373 CB CYS A 212 4.664 3.419 -0.235 1.00 0.00 C ATOM 374 SG CYS A 212 6.416 3.855 0.003 1.00 0.00 S ATOM 0 H CYS A 212 2.185 3.237 -0.043 1.00 0.00 H new ATOM 0 HA CYS A 212 4.285 3.258 1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.561 2.347 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.267 3.919 -1.118 1.00 0.00 H new ATOM 0 HG CYS A 212 6.609 4.217 1.236 1.00 0.00 H new ATOM 379 N ASP A 213 4.758 5.627 2.411 1.00 0.00 N ATOM 380 CA ASP A 213 5.074 6.974 2.881 1.00 0.00 C ATOM 381 C ASP A 213 5.961 7.786 1.914 1.00 0.00 C ATOM 382 O ASP A 213 6.232 8.951 2.200 1.00 0.00 O ATOM 383 CB ASP A 213 5.738 6.872 4.263 1.00 0.00 C ATOM 384 CG ASP A 213 4.761 6.476 5.378 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.261 5.331 5.346 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.558 7.321 6.277 1.00 0.00 O ATOM 0 H ASP A 213 5.147 4.901 3.013 1.00 0.00 H new ATOM 0 HA ASP A 213 4.134 7.523 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.544 6.139 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.193 7.831 4.512 1.00 0.00 H new ATOM 391 N ASP A 214 6.408 7.206 0.788 1.00 0.00 N ATOM 392 CA ASP A 214 7.055 7.925 -0.300 1.00 0.00 C ATOM 393 C ASP A 214 5.996 8.790 -1.008 1.00 0.00 C ATOM 394 O ASP A 214 5.068 8.226 -1.593 1.00 0.00 O ATOM 395 CB ASP A 214 7.667 6.885 -1.256 1.00 0.00 C ATOM 396 CG ASP A 214 8.312 7.469 -2.512 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.697 8.658 -2.483 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.409 6.697 -3.491 1.00 0.00 O ATOM 0 H ASP A 214 6.324 6.204 0.614 1.00 0.00 H new ATOM 0 HA ASP A 214 7.848 8.581 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.418 6.311 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.887 6.186 -1.557 1.00 0.00 H new ATOM 403 N PRO A 215 6.107 10.136 -0.990 1.00 0.00 N ATOM 404 CA PRO A 215 5.154 11.030 -1.649 1.00 0.00 C ATOM 405 C PRO A 215 5.347 11.100 -3.174 1.00 0.00 C ATOM 406 O PRO A 215 4.643 11.858 -3.842 1.00 0.00 O ATOM 407 CB PRO A 215 5.376 12.392 -0.984 1.00 0.00 C ATOM 408 CG PRO A 215 6.879 12.380 -0.713 1.00 0.00 C ATOM 409 CD PRO A 215 7.150 10.922 -0.343 1.00 0.00 C ATOM 0 HA PRO A 215 4.132 10.671 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.087 13.215 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.798 12.495 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.450 12.687 -1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.149 13.059 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.138 10.612 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.127 10.784 0.738 1.00 0.00 H new ATOM 417 N ASP A 216 6.270 10.293 -3.716 1.00 0.00 N ATOM 418 CA ASP A 216 6.528 10.125 -5.142 1.00 0.00 C ATOM 419 C ASP A 216 6.247 8.672 -5.570 1.00 0.00 C ATOM 420 O ASP A 216 6.500 8.315 -6.722 1.00 0.00 O ATOM 421 CB ASP A 216 7.968 10.579 -5.436 1.00 0.00 C ATOM 422 CG ASP A 216 8.252 10.737 -6.933 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.557 11.565 -7.564 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.170 10.041 -7.420 1.00 0.00 O ATOM 0 H ASP A 216 6.882 9.715 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 216 5.856 10.746 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.153 11.529 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.665 9.855 -5.014 1.00 0.00 H new ATOM 429 N CYS A 217 5.690 7.839 -4.670 1.00 0.00 N ATOM 430 CA CYS A 217 5.195 6.513 -5.013 1.00 0.00 C ATOM 431 C CYS A 217 4.117 6.620 -6.098 1.00 0.00 C ATOM 432 O CYS A 217 3.135 7.350 -5.953 1.00 0.00 O ATOM 433 CB CYS A 217 4.631 5.856 -3.757 1.00 0.00 C ATOM 434 SG CYS A 217 4.063 4.170 -4.103 1.00 0.00 S ATOM 0 H CYS A 217 5.575 8.077 -3.685 1.00 0.00 H new ATOM 0 HA CYS A 217 6.009 5.902 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.395 5.834 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.802 6.451 -3.372 1.00 0.00 H new ATOM 0 HG CYS A 217 4.565 3.354 -3.224 1.00 0.00 H new ATOM 440 N SER A 218 4.311 5.846 -7.170 1.00 0.00 N ATOM 441 CA SER A 218 3.475 5.823 -8.373 1.00 0.00 C ATOM 442 C SER A 218 2.123 5.107 -8.161 1.00 0.00 C ATOM 443 O SER A 218 1.342 4.966 -9.103 1.00 0.00 O ATOM 444 CB SER A 218 4.291 5.166 -9.498 1.00 0.00 C ATOM 445 OG SER A 218 3.721 5.413 -10.767 1.00 0.00 O ATOM 0 H SER A 218 5.090 5.189 -7.225 1.00 0.00 H new ATOM 0 HA SER A 218 3.211 6.847 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 218 5.312 5.546 -9.477 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.348 4.091 -9.327 1.00 0.00 H new ATOM 0 HG SER A 218 2.761 5.220 -10.738 1.00 0.00 H new ATOM 451 N ILE A 219 1.849 4.648 -6.932 1.00 0.00 N ATOM 452 CA ILE A 219 0.690 3.839 -6.553 1.00 0.00 C ATOM 453 C ILE A 219 0.028 4.416 -5.287 1.00 0.00 C ATOM 454 O ILE A 219 -1.197 4.392 -5.182 1.00 0.00 O ATOM 455 CB ILE A 219 1.153 2.362 -6.408 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.291 1.709 -7.803 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.229 1.560 -5.482 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.913 0.306 -7.788 1.00 0.00 C ATOM 0 H ILE A 219 2.461 4.842 -6.139 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.083 3.866 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 219 2.134 2.356 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.304 1.651 -8.263 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.899 2.356 -8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.589 0.534 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.224 2.014 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.783 1.562 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.972 -0.077 -8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.914 0.357 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.295 -0.360 -7.186 1.00 0.00 H new ATOM 470 N GLU A 220 0.831 4.987 -4.375 1.00 0.00 N ATOM 471 CA GLU A 220 0.445 5.773 -3.196 1.00 0.00 C ATOM 472 C GLU A 220 -0.188 4.966 -2.044 1.00 0.00 C ATOM 473 O GLU A 220 0.126 5.243 -0.890 1.00 0.00 O ATOM 474 CB GLU A 220 -0.355 7.031 -3.624 1.00 0.00 C ATOM 475 CG GLU A 220 -1.812 7.152 -3.137 1.00 0.00 C ATOM 476 CD GLU A 220 -1.940 7.558 -1.663 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.318 8.577 -1.287 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.676 6.859 -0.935 1.00 0.00 O ATOM 0 H GLU A 220 1.845 4.904 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 220 1.370 6.118 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.189 7.909 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.361 7.070 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.331 7.886 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.316 6.197 -3.286 1.00 0.00 H new ATOM 485 N TRP A 221 -1.012 3.955 -2.347 1.00 0.00 N ATOM 486 CA TRP A 221 -1.799 3.156 -1.409 1.00 0.00 C ATOM 487 C TRP A 221 -1.621 1.677 -1.756 1.00 0.00 C ATOM 488 O TRP A 221 -1.455 1.305 -2.918 1.00 0.00 O ATOM 489 CB TRP A 221 -3.266 3.599 -1.430 1.00 0.00 C ATOM 490 CG TRP A 221 -4.179 2.647 -2.082 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.511 2.649 -3.380 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.750 1.455 -1.496 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.198 1.487 -3.663 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.355 0.699 -2.536 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.737 0.915 -0.197 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.933 -0.554 -2.287 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.326 -0.331 0.053 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.905 -1.074 -0.983 1.00 0.00 C ATOM 0 H TRP A 221 -1.153 3.658 -3.313 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.449 3.308 -0.388 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.599 3.759 -0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.336 4.559 -1.941 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.279 3.431 -4.088 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.547 1.239 -4.589 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.272 1.462 0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.394 -1.112 -3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.334 -0.724 1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.330 -2.046 -0.779 1.00 0.00 H new ATOM 509 N PHE A 222 -1.691 0.824 -0.735 1.00 0.00 N ATOM 510 CA PHE A 222 -1.468 -0.610 -0.863 1.00 0.00 C ATOM 511 C PHE A 222 -2.335 -1.299 0.163 1.00 0.00 C ATOM 512 O PHE A 222 -2.567 -0.782 1.252 1.00 0.00 O ATOM 513 CB PHE A 222 -0.003 -0.972 -0.585 1.00 0.00 C ATOM 514 CG PHE A 222 0.968 -0.471 -1.629 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.428 0.855 -1.563 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.377 -1.307 -2.685 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.261 1.366 -2.563 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.238 -0.807 -3.676 1.00 0.00 C ATOM 519 CZ PHE A 222 2.673 0.529 -3.613 1.00 0.00 C ATOM 0 H PHE A 222 -1.908 1.117 0.218 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.711 -0.923 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.282 -0.565 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.084 -2.056 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.136 1.484 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.030 -2.329 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.585 2.396 -2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.565 -1.446 -4.483 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.330 0.915 -4.379 1.00 0.00 H new ATOM 529 N HIS A 223 -2.809 -2.485 -0.199 1.00 0.00 N ATOM 530 CA HIS A 223 -3.622 -3.285 0.688 1.00 0.00 C ATOM 531 C HIS A 223 -2.785 -3.843 1.840 1.00 0.00 C ATOM 532 O HIS A 223 -1.594 -4.122 1.704 1.00 0.00 O ATOM 533 CB HIS A 223 -4.260 -4.375 -0.165 1.00 0.00 C ATOM 534 CG HIS A 223 -5.404 -5.136 0.429 1.00 0.00 C ATOM 535 ND1 HIS A 223 -6.318 -4.679 1.334 1.00 0.00 N flip ATOM 536 CD2 HIS A 223 -5.741 -6.424 0.026 1.00 0.00 C flip ATOM 537 CE1 HIS A 223 -7.203 -5.709 1.533 1.00 0.00 C flip ATOM 538 NE2 HIS A 223 -6.831 -6.736 0.748 1.00 0.00 N flip ATOM 0 H HIS A 223 -2.638 -2.911 -1.110 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.403 -2.691 1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.605 -3.918 -1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.483 -5.091 -0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -5.238 -7.038 -0.706 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -8.050 -5.697 2.203 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.313 -7.634 0.706 1.00 0.00 H new ATOM 546 N PHE A 224 -3.459 -4.040 2.969 1.00 0.00 N ATOM 547 CA PHE A 224 -2.960 -4.782 4.128 1.00 0.00 C ATOM 548 C PHE A 224 -2.625 -6.254 3.824 1.00 0.00 C ATOM 549 O PHE A 224 -2.078 -6.927 4.693 1.00 0.00 O ATOM 550 CB PHE A 224 -3.994 -4.701 5.259 1.00 0.00 C ATOM 551 CG PHE A 224 -3.618 -3.791 6.411 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.512 -2.402 6.213 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.431 -4.332 7.698 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.254 -1.554 7.305 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.184 -3.483 8.788 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.106 -2.094 8.593 1.00 0.00 C ATOM 0 H PHE A 224 -4.401 -3.676 3.110 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.021 -4.315 4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.941 -4.359 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.162 -5.705 5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.629 -1.987 5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.478 -5.401 7.846 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -3.170 -0.488 7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.054 -3.898 9.777 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.932 -1.440 9.435 1.00 0.00 H new ATOM 566 N ALA A 225 -2.904 -6.746 2.608 1.00 0.00 N ATOM 567 CA ALA A 225 -2.472 -8.044 2.124 1.00 0.00 C ATOM 568 C ALA A 225 -1.643 -7.941 0.832 1.00 0.00 C ATOM 569 O ALA A 225 -1.160 -8.966 0.351 1.00 0.00 O ATOM 570 CB ALA A 225 -3.684 -8.969 1.975 1.00 0.00 C ATOM 0 H ALA A 225 -3.453 -6.228 1.922 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.799 -8.481 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.356 -9.943 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.172 -9.088 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.388 -8.535 1.265 1.00 0.00 H new ATOM 576 N CYS A 226 -1.425 -6.726 0.294 1.00 0.00 N ATOM 577 CA CYS A 226 -0.444 -6.483 -0.760 1.00 0.00 C ATOM 578 C CYS A 226 1.000 -6.579 -0.223 1.00 0.00 C ATOM 579 O CYS A 226 1.936 -6.553 -1.021 1.00 0.00 O ATOM 580 CB CYS A 226 -0.697 -5.126 -1.405 1.00 0.00 C ATOM 581 SG CYS A 226 -1.994 -5.214 -2.672 1.00 0.00 S ATOM 0 H CYS A 226 -1.930 -5.889 0.585 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.558 -7.259 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -0.986 -4.407 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.226 -4.759 -1.854 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.992 -6.396 -3.214 1.00 0.00 H new ATOM 587 N VAL A 227 1.180 -6.713 1.104 1.00 0.00 N ATOM 588 CA VAL A 227 2.472 -6.962 1.753 1.00 0.00 C ATOM 589 C VAL A 227 2.396 -8.013 2.877 1.00 0.00 C ATOM 590 O VAL A 227 3.429 -8.470 3.364 1.00 0.00 O ATOM 591 CB VAL A 227 3.051 -5.619 2.239 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.340 -5.156 3.519 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.571 -5.675 2.456 1.00 0.00 C ATOM 0 H VAL A 227 0.408 -6.649 1.768 1.00 0.00 H new ATOM 0 HA VAL A 227 3.148 -7.400 1.018 1.00 0.00 H new ATOM 0 HB VAL A 227 2.870 -4.891 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.763 -4.206 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.276 -5.030 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.476 -5.903 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.926 -4.703 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.804 -6.431 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.063 -5.931 1.518 1.00 0.00 H new ATOM 603 N GLY A 228 1.180 -8.390 3.290 1.00 0.00 N ATOM 604 CA GLY A 228 0.930 -9.303 4.402 1.00 0.00 C ATOM 605 C GLY A 228 1.020 -8.631 5.779 1.00 0.00 C ATOM 606 O GLY A 228 1.589 -9.221 6.696 1.00 0.00 O ATOM 0 H GLY A 228 0.324 -8.058 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.061 -9.742 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.649 -10.121 4.358 1.00 0.00 H new ATOM 610 N LEU A 229 0.484 -7.406 5.927 1.00 0.00 N ATOM 611 CA LEU A 229 0.349 -6.745 7.235 1.00 0.00 C ATOM 612 C LEU A 229 -0.644 -7.491 8.142 1.00 0.00 C ATOM 613 O LEU A 229 -1.496 -8.249 7.679 1.00 0.00 O ATOM 614 CB LEU A 229 -0.099 -5.273 7.087 1.00 0.00 C ATOM 615 CG LEU A 229 1.019 -4.264 6.763 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.398 -2.908 6.403 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.026 -4.074 7.907 1.00 0.00 C ATOM 0 H LEU A 229 0.134 -6.850 5.147 1.00 0.00 H new ATOM 0 HA LEU A 229 1.336 -6.766 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.851 -5.219 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.584 -4.965 8.013 1.00 0.00 H new ATOM 0 HG LEU A 229 1.574 -4.676 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.190 -2.195 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -0.249 -3.024 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -0.188 -2.541 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 229 2.784 -3.350 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.506 -3.710 8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.504 -5.027 8.133 1.00 0.00 H new ATOM 746 N TRP A 237 6.043 3.382 6.656 1.00 0.00 N ATOM 747 CA TRP A 237 5.979 2.123 5.923 1.00 0.00 C ATOM 748 C TRP A 237 6.367 2.341 4.457 1.00 0.00 C ATOM 749 O TRP A 237 6.270 3.450 3.929 1.00 0.00 O ATOM 750 CB TRP A 237 4.570 1.539 6.058 1.00 0.00 C ATOM 751 CG TRP A 237 4.323 0.231 5.362 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.615 -1.001 5.837 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.782 0.009 4.024 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.306 -1.957 4.890 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.805 -1.386 3.737 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.326 0.865 3.005 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.399 -1.895 2.492 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.911 0.364 1.757 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.927 -1.016 1.509 1.00 0.00 C ATOM 0 HA TRP A 237 6.690 1.410 6.341 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.354 1.409 7.118 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.858 2.270 5.675 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.029 -1.207 6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.432 -2.960 5.025 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.294 1.930 3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.450 -2.956 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.579 1.045 0.987 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.576 -1.400 0.562 1.00 0.00 H new ATOM 770 N PHE A 238 6.783 1.257 3.794 1.00 0.00 N ATOM 771 CA PHE A 238 7.194 1.260 2.397 1.00 0.00 C ATOM 772 C PHE A 238 6.689 -0.014 1.722 1.00 0.00 C ATOM 773 O PHE A 238 6.745 -1.097 2.308 1.00 0.00 O ATOM 774 CB PHE A 238 8.725 1.350 2.301 1.00 0.00 C ATOM 775 CG PHE A 238 9.325 2.579 2.967 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.434 3.792 2.261 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.745 2.514 4.311 1.00 0.00 C ATOM 778 CE1 PHE A 238 9.964 4.931 2.894 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.271 3.653 4.944 1.00 0.00 C ATOM 780 CZ PHE A 238 10.387 4.859 4.233 1.00 0.00 C ATOM 0 H PHE A 238 6.843 0.336 4.228 1.00 0.00 H new ATOM 0 HA PHE A 238 6.767 2.126 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.158 0.458 2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.012 1.345 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.110 3.848 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.662 1.585 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.046 5.861 2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 238 10.586 3.601 5.976 1.00 0.00 H new ATOM 0 HZ PHE A 238 10.802 5.732 4.715 1.00 0.00 H new ATOM 790 N CYS A 239 6.214 0.120 0.476 1.00 0.00 N ATOM 791 CA CYS A 239 5.738 -0.995 -0.331 1.00 0.00 C ATOM 792 C CYS A 239 6.875 -1.960 -0.706 1.00 0.00 C ATOM 793 O CYS A 239 8.040 -1.585 -0.573 1.00 0.00 O ATOM 794 CB CYS A 239 4.977 -0.401 -1.518 1.00 0.00 C ATOM 795 SG CYS A 239 6.052 0.314 -2.787 1.00 0.00 S ATOM 0 H CYS A 239 6.152 1.020 0.001 1.00 0.00 H new ATOM 0 HA CYS A 239 5.052 -1.630 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.363 -1.179 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.297 0.369 -1.154 1.00 0.00 H new ATOM 0 HG CYS A 239 5.325 0.787 -3.756 1.00 0.00 H new ATOM 801 N PRO A 240 6.572 -3.187 -1.184 1.00 0.00 N ATOM 802 CA PRO A 240 7.575 -4.184 -1.574 1.00 0.00 C ATOM 803 C PRO A 240 8.305 -3.838 -2.893 1.00 0.00 C ATOM 804 O PRO A 240 8.708 -4.735 -3.634 1.00 0.00 O ATOM 805 CB PRO A 240 6.813 -5.519 -1.607 1.00 0.00 C ATOM 806 CG PRO A 240 5.397 -5.107 -1.988 1.00 0.00 C ATOM 807 CD PRO A 240 5.236 -3.771 -1.271 1.00 0.00 C ATOM 0 HA PRO A 240 8.401 -4.225 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.241 -6.208 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.839 -6.021 -0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.281 -5.005 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.659 -5.837 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.560 -3.115 -1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.808 -3.912 -0.278 1.00 0.00 H new ATOM 815 N ARG A 241 8.492 -2.538 -3.181 1.00 0.00 N ATOM 816 CA ARG A 241 9.298 -2.019 -4.283 1.00 0.00 C ATOM 817 C ARG A 241 10.156 -0.850 -3.789 1.00 0.00 C ATOM 818 O ARG A 241 11.323 -0.745 -4.160 1.00 0.00 O ATOM 819 CB ARG A 241 8.399 -1.567 -5.447 1.00 0.00 C ATOM 820 CG ARG A 241 7.611 -2.714 -6.103 1.00 0.00 C ATOM 821 CD ARG A 241 6.690 -2.214 -7.224 1.00 0.00 C ATOM 822 NE ARG A 241 7.442 -1.633 -8.348 1.00 0.00 N ATOM 823 CZ ARG A 241 6.916 -0.927 -9.359 1.00 0.00 C ATOM 824 NH1 ARG A 241 5.604 -0.689 -9.444 1.00 0.00 N ATOM 825 NH2 ARG A 241 7.721 -0.446 -10.307 1.00 0.00 N ATOM 0 H ARG A 241 8.066 -1.796 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 241 9.950 -2.813 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.696 -0.818 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 241 9.016 -1.083 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.308 -3.448 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 241 7.016 -3.224 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.081 -3.042 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.006 -1.466 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 241 8.451 -1.780 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.973 -1.048 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.233 -0.148 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 241 8.725 -0.617 -10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 241 7.332 0.093 -11.081 1.00 0.00 H new ATOM 839 N CYS A 242 9.591 -0.016 -2.905 1.00 0.00 N ATOM 840 CA CYS A 242 10.248 1.044 -2.183 1.00 0.00 C ATOM 841 C CYS A 242 11.183 0.500 -1.092 1.00 0.00 C ATOM 842 O CYS A 242 12.242 1.078 -0.854 1.00 0.00 O ATOM 843 CB CYS A 242 9.098 1.838 -1.572 1.00 0.00 C ATOM 844 SG CYS A 242 8.334 2.942 -2.798 1.00 0.00 S ATOM 0 H CYS A 242 8.600 -0.081 -2.672 1.00 0.00 H new ATOM 0 HA CYS A 242 10.885 1.647 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.347 1.152 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.465 2.425 -0.730 1.00 0.00 H new ATOM 0 HG CYS A 242 7.285 2.367 -3.306 1.00 0.00 H new