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= -1.47 USER MOD Set 1.2: A 217 CYS SG : rot 160:sc= 0.0802 USER MOD Set 1.3: A 239 CYS SG : rot -74:sc= 0.654 USER MOD Set 1.4: A 242 CYS SG : rot -99:sc= 0.0394 USER MOD Set 2.1: A 199 CYS SG : rot -108:sc= 0.972! USER MOD Set 2.2: A 201 CYS SG : rot 72:sc= 1.22 USER MOD Set 2.3: A 206 TYR OH : rot 173:sc= 0.0403 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.589 X(o=3.4,f=3.5) USER MOD Set 2.5: A 226 CYS SG : rot 84:sc= 1.79 USER MOD Single : A 197 THR OG1 : rot -37:sc= 0.0638 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.18) USER MOD Single : A 203 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl -179:sc= 0 (180deg=-0.00242) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.064 2.949 -8.655 1.00 0.00 N ATOM 149 CA THR A 197 -7.487 1.627 -8.413 1.00 0.00 C ATOM 150 C THR A 197 -5.960 1.748 -8.458 1.00 0.00 C ATOM 151 O THR A 197 -5.441 2.452 -9.328 1.00 0.00 O ATOM 152 CB THR A 197 -7.964 0.636 -9.489 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.648 1.074 -10.796 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.473 0.372 -9.434 1.00 0.00 C ATOM 0 HA THR A 197 -7.805 1.258 -7.438 1.00 0.00 H new ATOM 0 HB THR A 197 -7.431 -0.288 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.748 2.048 -10.848 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.748 -0.334 -10.217 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.734 -0.045 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.012 1.308 -9.584 1.00 0.00 H new ATOM 162 N TYR A 198 -5.237 1.090 -7.531 1.00 0.00 N ATOM 163 CA TYR A 198 -3.782 1.281 -7.438 1.00 0.00 C ATOM 164 C TYR A 198 -3.011 0.113 -6.808 1.00 0.00 C ATOM 165 O TYR A 198 -1.964 -0.203 -7.374 1.00 0.00 O ATOM 166 CB TYR A 198 -3.386 2.576 -6.704 1.00 0.00 C ATOM 167 CG TYR A 198 -4.152 3.852 -7.023 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.391 4.114 -6.405 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.624 4.782 -7.940 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.104 5.288 -6.698 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.332 5.959 -8.245 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.578 6.215 -7.626 1.00 0.00 C ATOM 173 OH TYR A 198 -6.270 7.353 -7.921 1.00 0.00 O ATOM 0 H TYR A 198 -5.628 0.437 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.489 1.345 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.478 2.392 -5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.331 2.763 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.797 3.405 -5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.671 4.591 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.051 5.482 -6.216 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.924 6.667 -8.952 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.767 7.881 -8.576 1.00 0.00 H new ATOM 183 N CYS A 199 -3.463 -0.544 -5.708 1.00 0.00 N ATOM 184 CA CYS A 199 -2.767 -1.759 -5.235 1.00 0.00 C ATOM 185 C CYS A 199 -2.576 -2.800 -6.348 1.00 0.00 C ATOM 186 O CYS A 199 -3.132 -2.719 -7.444 1.00 0.00 O ATOM 187 CB CYS A 199 -3.340 -2.449 -3.967 1.00 0.00 C ATOM 188 SG CYS A 199 -1.890 -3.098 -3.056 1.00 0.00 S ATOM 0 H CYS A 199 -4.273 -0.264 -5.155 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.803 -1.355 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.901 -1.742 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.026 -3.253 -4.235 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.860 -4.394 -3.155 1.00 0.00 H new ATOM 193 N LEU A 200 -1.836 -3.848 -5.990 1.00 0.00 N ATOM 194 CA LEU A 200 -1.630 -5.054 -6.787 1.00 0.00 C ATOM 195 C LEU A 200 -2.951 -5.801 -7.017 1.00 0.00 C ATOM 196 O LEU A 200 -2.987 -6.780 -7.759 1.00 0.00 O ATOM 197 CB LEU A 200 -0.613 -5.985 -6.091 1.00 0.00 C ATOM 198 CG LEU A 200 0.579 -5.285 -5.406 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.452 -6.319 -4.683 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.442 -4.482 -6.391 1.00 0.00 C ATOM 0 H LEU A 200 -1.343 -3.880 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.236 -4.752 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.142 -6.575 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.223 -6.684 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 200 0.161 -4.579 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.291 -5.815 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.857 -6.833 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.829 -7.044 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.265 -4.011 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.842 -5.151 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.832 -3.713 -6.866 1.00 0.00 H new ATOM 212 N CYS A 201 -4.029 -5.330 -6.371 1.00 0.00 N ATOM 213 CA CYS A 201 -5.363 -5.851 -6.453 1.00 0.00 C ATOM 214 C CYS A 201 -6.255 -5.051 -7.412 1.00 0.00 C ATOM 215 O CYS A 201 -7.359 -5.503 -7.715 1.00 0.00 O ATOM 216 CB CYS A 201 -5.927 -5.724 -5.051 1.00 0.00 C ATOM 217 SG CYS A 201 -5.145 -6.880 -3.896 1.00 0.00 S ATOM 0 H CYS A 201 -3.967 -4.527 -5.745 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.339 -6.874 -6.830 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.785 -4.704 -4.694 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.001 -5.907 -5.075 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.930 -6.489 -3.647 1.00 0.00 H new ATOM 222 N HIS A 202 -5.786 -3.867 -7.845 1.00 0.00 N ATOM 223 CA HIS A 202 -6.485 -2.883 -8.664 1.00 0.00 C ATOM 224 C HIS A 202 -7.921 -2.635 -8.180 1.00 0.00 C ATOM 225 O HIS A 202 -8.872 -2.670 -8.959 1.00 0.00 O ATOM 226 CB HIS A 202 -6.320 -3.185 -10.165 1.00 0.00 C ATOM 227 CG HIS A 202 -6.835 -4.531 -10.617 1.00 0.00 C ATOM 228 ND1 HIS A 202 -8.144 -4.857 -10.890 1.00 0.00 N ATOM 229 CD2 HIS A 202 -6.090 -5.663 -10.817 1.00 0.00 C ATOM 230 CE1 HIS A 202 -8.180 -6.155 -11.238 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.950 -6.694 -11.210 1.00 0.00 N ATOM 0 H HIS A 202 -4.842 -3.559 -7.611 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.008 -1.912 -8.530 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.834 -2.409 -10.733 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.262 -3.117 -10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -5.020 -5.746 -10.692 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -9.078 -6.693 -11.504 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.695 -7.657 -11.430 1.00 0.00 H new ATOM 239 N GLN A 203 -8.060 -2.408 -6.865 1.00 0.00 N ATOM 240 CA GLN A 203 -9.310 -2.093 -6.193 1.00 0.00 C ATOM 241 C GLN A 203 -8.963 -1.502 -4.830 1.00 0.00 C ATOM 242 O GLN A 203 -7.956 -1.877 -4.234 1.00 0.00 O ATOM 243 CB GLN A 203 -10.207 -3.341 -6.060 1.00 0.00 C ATOM 244 CG GLN A 203 -9.643 -4.410 -5.113 1.00 0.00 C ATOM 245 CD GLN A 203 -10.338 -5.757 -5.285 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.228 -6.107 -4.516 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.929 -6.529 -6.292 1.00 0.00 N ATOM 0 H GLN A 203 -7.268 -2.442 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.881 -1.372 -6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.190 -3.034 -5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.350 -3.782 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.575 -4.528 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.754 -4.075 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.186 -6.207 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.359 -7.442 -6.442 1.00 0.00 H new ATOM 256 N VAL A 204 -9.815 -0.589 -4.366 1.00 0.00 N ATOM 257 CA VAL A 204 -9.725 0.157 -3.096 1.00 0.00 C ATOM 258 C VAL A 204 -11.100 0.183 -2.390 1.00 0.00 C ATOM 259 O VAL A 204 -12.101 -0.253 -2.957 1.00 0.00 O ATOM 260 CB VAL A 204 -9.119 1.578 -3.291 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.354 2.040 -2.027 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.157 1.670 -4.486 1.00 0.00 C ATOM 0 H VAL A 204 -10.645 -0.328 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.030 -0.368 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 204 -9.974 2.226 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -7.943 3.035 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.037 2.068 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.543 1.343 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.771 2.686 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.328 0.977 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.689 1.412 -5.402 1.00 0.00 H new ATOM 272 N SER A 205 -11.137 0.679 -1.140 1.00 0.00 N ATOM 273 CA SER A 205 -12.292 0.681 -0.232 1.00 0.00 C ATOM 274 C SER A 205 -12.788 -0.738 0.115 1.00 0.00 C ATOM 275 O SER A 205 -13.889 -1.142 -0.257 1.00 0.00 O ATOM 276 CB SER A 205 -13.385 1.632 -0.747 1.00 0.00 C ATOM 277 OG SER A 205 -14.333 1.894 0.266 1.00 0.00 O ATOM 0 H SER A 205 -10.316 1.112 -0.716 1.00 0.00 H new ATOM 0 HA SER A 205 -11.967 1.080 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 205 -12.934 2.566 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 205 -13.881 1.191 -1.611 1.00 0.00 H new ATOM 0 HG SER A 205 -15.020 2.502 -0.078 1.00 0.00 H new ATOM 283 N TYR A 206 -11.926 -1.501 0.804 1.00 0.00 N ATOM 284 CA TYR A 206 -12.103 -2.910 1.160 1.00 0.00 C ATOM 285 C TYR A 206 -11.115 -3.253 2.283 1.00 0.00 C ATOM 286 O TYR A 206 -9.903 -3.318 2.068 1.00 0.00 O ATOM 287 CB TYR A 206 -11.934 -3.853 -0.057 1.00 0.00 C ATOM 288 CG TYR A 206 -10.553 -3.957 -0.706 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.818 -2.795 -0.994 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.988 -5.214 -1.026 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.540 -2.873 -1.532 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.709 -5.298 -1.619 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.980 -4.111 -1.870 1.00 0.00 C ATOM 294 OH TYR A 206 -6.756 -4.091 -2.469 1.00 0.00 O ATOM 0 H TYR A 206 -11.040 -1.128 1.144 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.125 -3.062 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.232 -4.854 0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.639 -3.535 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.253 -1.827 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.540 -6.118 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.972 -1.969 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.291 -6.259 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.419 -5.007 -2.555 1.00 0.00 H new ATOM 304 N GLY A 207 -11.641 -3.442 3.500 1.00 0.00 N ATOM 305 CA GLY A 207 -10.868 -3.649 4.702 1.00 0.00 C ATOM 306 C GLY A 207 -9.935 -2.482 5.008 1.00 0.00 C ATOM 307 O GLY A 207 -10.090 -1.352 4.541 1.00 0.00 O ATOM 0 H GLY A 207 -12.647 -3.453 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.545 -3.799 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.281 -4.561 4.599 1.00 0.00 H new ATOM 311 N GLU A 208 -8.956 -2.830 5.829 1.00 0.00 N ATOM 312 CA GLU A 208 -7.777 -2.042 6.172 1.00 0.00 C ATOM 313 C GLU A 208 -6.875 -1.804 4.943 1.00 0.00 C ATOM 314 O GLU A 208 -6.815 -2.622 4.024 1.00 0.00 O ATOM 315 CB GLU A 208 -7.024 -2.692 7.351 1.00 0.00 C ATOM 316 CG GLU A 208 -6.827 -4.219 7.281 1.00 0.00 C ATOM 317 CD GLU A 208 -8.047 -5.011 7.763 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.272 -5.025 8.993 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.740 -5.584 6.892 1.00 0.00 O ATOM 0 H GLU A 208 -8.963 -3.731 6.307 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.101 -1.054 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.043 -2.224 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.562 -2.459 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.602 -4.502 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -5.962 -4.495 7.884 1.00 0.00 H new ATOM 326 N MET A 209 -6.187 -0.652 4.939 1.00 0.00 N ATOM 327 CA MET A 209 -5.449 -0.075 3.807 1.00 0.00 C ATOM 328 C MET A 209 -4.278 0.765 4.334 1.00 0.00 C ATOM 329 O MET A 209 -4.318 1.233 5.475 1.00 0.00 O ATOM 330 CB MET A 209 -6.417 0.817 3.003 1.00 0.00 C ATOM 331 CG MET A 209 -7.568 0.019 2.369 1.00 0.00 C ATOM 332 SD MET A 209 -8.661 0.946 1.266 1.00 0.00 S ATOM 333 CE MET A 209 -9.523 1.994 2.465 1.00 0.00 C ATOM 0 H MET A 209 -6.128 -0.066 5.772 1.00 0.00 H new ATOM 0 HA MET A 209 -5.054 -0.865 3.168 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.829 1.583 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.863 1.334 2.219 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.142 -0.814 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.171 -0.410 3.170 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.250 2.618 1.946 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.037 1.367 3.193 1.00 0.00 H new ATOM 0 HE3 MET A 209 -8.801 2.629 2.979 1.00 0.00 H new ATOM 343 N ILE A 210 -3.235 0.958 3.510 1.00 0.00 N ATOM 344 CA ILE A 210 -2.014 1.657 3.891 1.00 0.00 C ATOM 345 C ILE A 210 -1.574 2.515 2.699 1.00 0.00 C ATOM 346 O ILE A 210 -2.392 3.216 2.105 1.00 0.00 O ATOM 347 CB ILE A 210 -0.981 0.650 4.493 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.232 1.267 5.234 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.490 -0.476 3.562 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.144 2.265 6.334 1.00 0.00 C ATOM 0 H ILE A 210 -3.224 0.624 2.546 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.152 2.363 4.710 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.627 0.193 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.821 0.463 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.871 1.769 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.221 -1.106 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.339 -1.079 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.004 -0.040 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.762 2.649 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.706 3.091 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.756 1.765 7.085 1.00 0.00 H new ATOM 362 N GLY A 211 -0.285 2.492 2.388 1.00 0.00 N ATOM 363 CA GLY A 211 0.373 3.348 1.431 1.00 0.00 C ATOM 364 C GLY A 211 1.814 3.631 1.803 1.00 0.00 C ATOM 365 O GLY A 211 2.127 3.950 2.948 1.00 0.00 O ATOM 0 H GLY A 211 0.360 1.835 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.340 2.881 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.171 4.289 1.355 1.00 0.00 H new ATOM 369 N CYS A 212 2.677 3.504 0.788 1.00 0.00 N ATOM 370 CA CYS A 212 4.097 3.810 0.885 1.00 0.00 C ATOM 371 C CYS A 212 4.267 5.305 1.153 1.00 0.00 C ATOM 372 O CYS A 212 3.760 6.133 0.396 1.00 0.00 O ATOM 373 CB CYS A 212 4.862 3.378 -0.378 1.00 0.00 C ATOM 374 SG CYS A 212 6.615 3.810 -0.173 1.00 0.00 S ATOM 0 H CYS A 212 2.396 3.179 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 212 4.524 3.244 1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.753 2.305 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.451 3.874 -1.257 1.00 0.00 H new ATOM 0 HG CYS A 212 6.830 4.179 1.055 1.00 0.00 H new ATOM 379 N ASP A 213 5.017 5.623 2.216 1.00 0.00 N ATOM 380 CA ASP A 213 5.364 6.981 2.623 1.00 0.00 C ATOM 381 C ASP A 213 6.171 7.786 1.585 1.00 0.00 C ATOM 382 O ASP A 213 6.373 8.980 1.801 1.00 0.00 O ATOM 383 CB ASP A 213 6.145 6.906 3.941 1.00 0.00 C ATOM 384 CG ASP A 213 5.245 6.658 5.152 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.667 5.552 5.241 1.00 0.00 O ATOM 386 OD2 ASP A 213 5.184 7.575 5.999 1.00 0.00 O ATOM 0 H ASP A 213 5.410 4.914 2.834 1.00 0.00 H new ATOM 0 HA ASP A 213 4.424 7.522 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.884 6.108 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.693 7.837 4.086 1.00 0.00 H new ATOM 391 N ASP A 214 6.623 7.173 0.479 1.00 0.00 N ATOM 392 CA ASP A 214 7.238 7.864 -0.644 1.00 0.00 C ATOM 393 C ASP A 214 6.156 8.687 -1.366 1.00 0.00 C ATOM 394 O ASP A 214 5.239 8.088 -1.936 1.00 0.00 O ATOM 395 CB ASP A 214 7.868 6.808 -1.569 1.00 0.00 C ATOM 396 CG ASP A 214 8.468 7.366 -2.861 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.836 8.561 -2.874 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.548 6.570 -3.821 1.00 0.00 O ATOM 0 H ASP A 214 6.566 6.163 0.347 1.00 0.00 H new ATOM 0 HA ASP A 214 8.021 8.549 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.649 6.283 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.108 6.070 -1.826 1.00 0.00 H new ATOM 403 N PRO A 215 6.235 10.035 -1.372 1.00 0.00 N ATOM 404 CA PRO A 215 5.249 10.897 -2.024 1.00 0.00 C ATOM 405 C PRO A 215 5.434 10.973 -3.548 1.00 0.00 C ATOM 406 O PRO A 215 4.729 11.731 -4.212 1.00 0.00 O ATOM 407 CB PRO A 215 5.439 12.264 -1.360 1.00 0.00 C ATOM 408 CG PRO A 215 6.949 12.305 -1.131 1.00 0.00 C ATOM 409 CD PRO A 215 7.278 10.857 -0.768 1.00 0.00 C ATOM 0 HA PRO A 215 4.238 10.509 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.102 13.078 -2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.883 12.344 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.484 12.630 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.218 12.994 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.261 10.576 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.301 10.723 0.314 1.00 0.00 H new ATOM 417 N ASP A 216 6.359 10.171 -4.091 1.00 0.00 N ATOM 418 CA ASP A 216 6.619 10.007 -5.514 1.00 0.00 C ATOM 419 C ASP A 216 6.376 8.545 -5.928 1.00 0.00 C ATOM 420 O ASP A 216 6.609 8.197 -7.086 1.00 0.00 O ATOM 421 CB ASP A 216 8.045 10.499 -5.816 1.00 0.00 C ATOM 422 CG ASP A 216 8.325 10.647 -7.314 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.605 11.444 -7.954 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.266 9.976 -7.794 1.00 0.00 O ATOM 0 H ASP A 216 6.972 9.594 -3.516 1.00 0.00 H new ATOM 0 HA ASP A 216 5.932 10.609 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.203 11.460 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.763 9.801 -5.386 1.00 0.00 H new ATOM 429 N CYS A 217 5.872 7.692 -5.012 1.00 0.00 N ATOM 430 CA CYS A 217 5.429 6.351 -5.361 1.00 0.00 C ATOM 431 C CYS A 217 4.312 6.428 -6.410 1.00 0.00 C ATOM 432 O CYS A 217 3.333 7.156 -6.243 1.00 0.00 O ATOM 433 CB CYS A 217 4.940 5.636 -4.103 1.00 0.00 C ATOM 434 SG CYS A 217 4.570 3.904 -4.486 1.00 0.00 S ATOM 0 H CYS A 217 5.767 7.922 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 217 6.260 5.788 -5.785 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.700 5.691 -3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 217 4.049 6.131 -3.715 1.00 0.00 H new ATOM 0 HG CYS A 217 4.571 3.207 -3.389 1.00 0.00 H new ATOM 440 N SER A 218 4.466 5.633 -7.474 1.00 0.00 N ATOM 441 CA SER A 218 3.582 5.588 -8.646 1.00 0.00 C ATOM 442 C SER A 218 2.237 4.888 -8.372 1.00 0.00 C ATOM 443 O SER A 218 1.465 4.659 -9.303 1.00 0.00 O ATOM 444 CB SER A 218 4.310 4.874 -9.797 1.00 0.00 C ATOM 445 OG SER A 218 5.562 5.473 -10.062 1.00 0.00 O ATOM 0 H SER A 218 5.242 4.975 -7.546 1.00 0.00 H new ATOM 0 HA SER A 218 3.347 6.619 -8.910 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.453 3.824 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.693 4.904 -10.695 1.00 0.00 H new ATOM 0 HG SER A 218 6.003 4.998 -10.797 1.00 0.00 H new ATOM 451 N ILE A 219 1.975 4.529 -7.107 1.00 0.00 N ATOM 452 CA ILE A 219 0.874 3.690 -6.654 1.00 0.00 C ATOM 453 C ILE A 219 0.232 4.312 -5.398 1.00 0.00 C ATOM 454 O ILE A 219 -0.992 4.311 -5.280 1.00 0.00 O ATOM 455 CB ILE A 219 1.440 2.277 -6.369 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.094 1.569 -7.578 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.369 1.385 -5.738 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.134 1.183 -8.706 1.00 0.00 C ATOM 0 H ILE A 219 2.564 4.838 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 219 0.096 3.616 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 219 2.256 2.440 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 219 2.866 2.222 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.594 0.667 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.786 0.397 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.034 1.827 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.477 1.295 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.690 0.693 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.376 0.501 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.652 2.079 -9.096 1.00 0.00 H new ATOM 470 N GLU A 220 1.064 4.886 -4.514 1.00 0.00 N ATOM 471 CA GLU A 220 0.729 5.695 -3.333 1.00 0.00 C ATOM 472 C GLU A 220 0.079 4.926 -2.163 1.00 0.00 C ATOM 473 O GLU A 220 0.502 5.128 -1.027 1.00 0.00 O ATOM 474 CB GLU A 220 -0.006 6.991 -3.764 1.00 0.00 C ATOM 475 CG GLU A 220 -1.422 7.233 -3.207 1.00 0.00 C ATOM 476 CD GLU A 220 -1.439 7.642 -1.729 1.00 0.00 C ATOM 477 OE1 GLU A 220 -0.737 8.622 -1.394 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.167 6.982 -0.957 1.00 0.00 O ATOM 0 H GLU A 220 2.074 4.787 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 220 1.672 5.996 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.616 7.839 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.069 6.994 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -1.907 8.011 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.012 6.325 -3.331 1.00 0.00 H new ATOM 485 N TRP A 221 -0.878 4.024 -2.424 1.00 0.00 N ATOM 486 CA TRP A 221 -1.636 3.247 -1.441 1.00 0.00 C ATOM 487 C TRP A 221 -1.509 1.761 -1.789 1.00 0.00 C ATOM 488 O TRP A 221 -1.410 1.381 -2.956 1.00 0.00 O ATOM 489 CB TRP A 221 -3.091 3.726 -1.365 1.00 0.00 C ATOM 490 CG TRP A 221 -4.051 2.838 -2.039 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.418 2.910 -3.326 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.611 1.616 -1.503 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.094 1.756 -3.656 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.194 0.898 -2.580 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.577 1.005 -0.234 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.694 -0.399 -2.412 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.122 -0.275 -0.053 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.643 -0.990 -1.139 1.00 0.00 C ATOM 0 H TRP A 221 -1.157 3.807 -3.381 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.226 3.397 -0.442 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.376 3.823 -0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.159 4.720 -1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.217 3.735 -3.993 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.474 1.560 -4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.130 1.523 0.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.113 -0.937 -3.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.140 -0.714 0.934 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.006 -1.997 -0.997 1.00 0.00 H new ATOM 509 N PHE A 222 -1.537 0.912 -0.760 1.00 0.00 N ATOM 510 CA PHE A 222 -1.289 -0.520 -0.874 1.00 0.00 C ATOM 511 C PHE A 222 -2.104 -1.232 0.192 1.00 0.00 C ATOM 512 O PHE A 222 -2.442 -0.651 1.220 1.00 0.00 O ATOM 513 CB PHE A 222 0.195 -0.828 -0.630 1.00 0.00 C ATOM 514 CG PHE A 222 1.123 -0.385 -1.738 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.560 0.950 -1.793 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.534 -1.301 -2.724 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.379 1.383 -2.843 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.379 -0.878 -3.763 1.00 0.00 C ATOM 519 CZ PHE A 222 2.800 0.462 -3.816 1.00 0.00 C ATOM 0 H PHE A 222 -1.737 1.211 0.195 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.566 -0.853 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.504 -0.347 0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.310 -1.902 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.263 1.645 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.200 -2.327 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.685 2.417 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.704 -1.579 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.453 0.786 -4.612 1.00 0.00 H new ATOM 529 N HIS A 223 -2.414 -2.504 -0.056 1.00 0.00 N ATOM 530 CA HIS A 223 -3.305 -3.261 0.797 1.00 0.00 C ATOM 531 C HIS A 223 -2.545 -3.845 1.985 1.00 0.00 C ATOM 532 O HIS A 223 -1.392 -4.264 1.870 1.00 0.00 O ATOM 533 CB HIS A 223 -4.013 -4.318 -0.058 1.00 0.00 C ATOM 534 CG HIS A 223 -5.285 -4.873 0.521 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.740 -6.171 0.295 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.216 -4.188 1.250 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.917 -6.248 0.939 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.230 -5.073 1.514 1.00 0.00 N ATOM 0 H HIS A 223 -2.052 -3.029 -0.852 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.070 -2.616 1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.237 -3.882 -1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.322 -5.143 -0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.164 -3.154 1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.530 -7.136 0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.074 -4.875 2.052 1.00 0.00 H new ATOM 546 N PHE A 224 -3.248 -3.895 3.117 1.00 0.00 N ATOM 547 CA PHE A 224 -2.837 -4.558 4.358 1.00 0.00 C ATOM 548 C PHE A 224 -2.622 -6.075 4.215 1.00 0.00 C ATOM 549 O PHE A 224 -2.177 -6.708 5.168 1.00 0.00 O ATOM 550 CB PHE A 224 -3.882 -4.275 5.452 1.00 0.00 C ATOM 551 CG PHE A 224 -3.434 -3.365 6.579 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.216 -1.997 6.337 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.312 -3.866 7.890 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.897 -1.133 7.400 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.993 -3.002 8.952 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.790 -1.634 8.707 1.00 0.00 C ATOM 0 H PHE A 224 -4.164 -3.453 3.199 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.866 -4.144 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.760 -3.833 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.195 -5.226 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.294 -1.609 5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.464 -4.918 8.080 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.734 -0.082 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.904 -3.390 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.552 -0.968 9.523 1.00 0.00 H new ATOM 566 N ALA A 225 -2.896 -6.657 3.040 1.00 0.00 N ATOM 567 CA ALA A 225 -2.589 -8.037 2.714 1.00 0.00 C ATOM 568 C ALA A 225 -1.743 -8.157 1.438 1.00 0.00 C ATOM 569 O ALA A 225 -1.299 -9.261 1.126 1.00 0.00 O ATOM 570 CB ALA A 225 -3.887 -8.846 2.642 1.00 0.00 C ATOM 0 H ALA A 225 -3.350 -6.158 2.275 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.971 -8.456 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.656 -9.883 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.395 -8.805 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.535 -8.427 1.872 1.00 0.00 H new ATOM 576 N CYS A 226 -1.460 -7.045 0.735 1.00 0.00 N ATOM 577 CA CYS A 226 -0.478 -7.022 -0.345 1.00 0.00 C ATOM 578 C CYS A 226 0.975 -6.990 0.163 1.00 0.00 C ATOM 579 O CYS A 226 1.897 -7.063 -0.649 1.00 0.00 O ATOM 580 CB CYS A 226 -0.777 -5.860 -1.271 1.00 0.00 C ATOM 581 SG CYS A 226 -2.011 -6.390 -2.489 1.00 0.00 S ATOM 0 H CYS A 226 -1.908 -6.145 0.905 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.567 -7.956 -0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.150 -5.009 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.133 -5.533 -1.773 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.202 -6.266 -1.983 1.00 0.00 H new ATOM 587 N VAL A 227 1.179 -6.924 1.489 1.00 0.00 N ATOM 588 CA VAL A 227 2.478 -7.099 2.145 1.00 0.00 C ATOM 589 C VAL A 227 2.389 -8.016 3.382 1.00 0.00 C ATOM 590 O VAL A 227 3.412 -8.356 3.975 1.00 0.00 O ATOM 591 CB VAL A 227 3.079 -5.715 2.455 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.410 -5.107 3.692 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.607 -5.757 2.629 1.00 0.00 C ATOM 0 H VAL A 227 0.422 -6.742 2.149 1.00 0.00 H new ATOM 0 HA VAL A 227 3.155 -7.617 1.466 1.00 0.00 H new ATOM 0 HB VAL A 227 2.879 -5.080 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.846 -4.129 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.341 -4.997 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.567 -5.762 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.976 -4.755 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.861 -6.423 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.068 -6.123 1.711 1.00 0.00 H new ATOM 603 N GLY A 228 1.170 -8.418 3.767 1.00 0.00 N ATOM 604 CA GLY A 228 0.905 -9.267 4.922 1.00 0.00 C ATOM 605 C GLY A 228 0.967 -8.523 6.262 1.00 0.00 C ATOM 606 O GLY A 228 1.519 -9.068 7.218 1.00 0.00 O ATOM 0 H GLY A 228 0.323 -8.151 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.082 -9.717 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.628 -10.083 4.936 1.00 0.00 H new ATOM 610 N LEU A 229 0.432 -7.292 6.338 1.00 0.00 N ATOM 611 CA LEU A 229 0.284 -6.561 7.602 1.00 0.00 C ATOM 612 C LEU A 229 -0.755 -7.251 8.495 1.00 0.00 C ATOM 613 O LEU A 229 -1.959 -7.101 8.294 1.00 0.00 O ATOM 614 CB LEU A 229 -0.123 -5.087 7.386 1.00 0.00 C ATOM 615 CG LEU A 229 0.952 -4.151 6.816 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.379 -2.738 6.641 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.233 -4.099 7.664 1.00 0.00 C ATOM 0 H LEU A 229 0.092 -6.779 5.525 1.00 0.00 H new ATOM 0 HA LEU A 229 1.259 -6.569 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.982 -5.066 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.454 -4.682 8.342 1.00 0.00 H new ATOM 0 HG LEU A 229 1.239 -4.563 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.149 -2.081 6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -0.467 -2.771 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.048 -2.357 7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 229 2.948 -3.419 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.992 -3.746 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.669 -5.096 7.726 1.00 0.00 H new ATOM 746 N TRP A 237 6.085 3.295 6.544 1.00 0.00 N ATOM 747 CA TRP A 237 6.056 2.045 5.797 1.00 0.00 C ATOM 748 C TRP A 237 6.478 2.284 4.339 1.00 0.00 C ATOM 749 O TRP A 237 6.410 3.405 3.836 1.00 0.00 O ATOM 750 CB TRP A 237 4.640 1.478 5.888 1.00 0.00 C ATOM 751 CG TRP A 237 4.408 0.165 5.200 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.672 -1.065 5.696 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.916 -0.062 3.845 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.375 -2.026 4.750 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.912 -1.463 3.578 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.524 0.793 2.797 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.520 -1.982 2.333 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.120 0.282 1.551 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.101 -1.103 1.324 1.00 0.00 C ATOM 0 HA TRP A 237 6.761 1.328 6.217 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.384 1.363 6.941 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.950 2.211 5.470 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.058 -1.266 6.685 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.484 -3.029 4.899 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.534 1.862 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.541 -3.047 2.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.823 0.959 0.764 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.764 -1.491 0.374 1.00 0.00 H new ATOM 770 N PHE A 238 6.887 1.208 3.651 1.00 0.00 N ATOM 771 CA PHE A 238 7.290 1.233 2.249 1.00 0.00 C ATOM 772 C PHE A 238 6.778 -0.025 1.544 1.00 0.00 C ATOM 773 O PHE A 238 6.811 -1.115 2.117 1.00 0.00 O ATOM 774 CB PHE A 238 8.822 1.299 2.137 1.00 0.00 C ATOM 775 CG PHE A 238 9.477 2.453 2.874 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.527 3.735 2.294 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.037 2.243 4.150 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.137 4.797 2.983 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.650 3.305 4.837 1.00 0.00 C ATOM 780 CZ PHE A 238 10.704 4.582 4.250 1.00 0.00 C ATOM 0 H PHE A 238 6.946 0.279 4.068 1.00 0.00 H new ATOM 0 HA PHE A 238 6.862 2.116 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.238 0.365 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.090 1.364 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.096 3.902 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.995 1.263 4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.170 5.780 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.079 3.141 5.814 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.181 5.397 4.773 1.00 0.00 H new ATOM 790 N CYS A 239 6.340 0.121 0.285 1.00 0.00 N ATOM 791 CA CYS A 239 5.904 -0.991 -0.548 1.00 0.00 C ATOM 792 C CYS A 239 7.079 -1.890 -0.965 1.00 0.00 C ATOM 793 O CYS A 239 8.227 -1.465 -0.825 1.00 0.00 O ATOM 794 CB CYS A 239 5.115 -0.393 -1.715 1.00 0.00 C ATOM 795 SG CYS A 239 6.170 0.371 -2.972 1.00 0.00 S ATOM 0 H CYS A 239 6.281 1.026 -0.181 1.00 0.00 H new ATOM 0 HA CYS A 239 5.251 -1.669 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.516 -1.176 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.420 0.354 -1.331 1.00 0.00 H new ATOM 0 HG CYS A 239 6.635 1.498 -2.521 1.00 0.00 H new ATOM 801 N PRO A 240 6.833 -3.108 -1.492 1.00 0.00 N ATOM 802 CA PRO A 240 7.879 -4.040 -1.930 1.00 0.00 C ATOM 803 C PRO A 240 8.571 -3.612 -3.246 1.00 0.00 C ATOM 804 O PRO A 240 8.994 -4.463 -4.027 1.00 0.00 O ATOM 805 CB PRO A 240 7.181 -5.408 -2.001 1.00 0.00 C ATOM 806 CG PRO A 240 5.745 -5.051 -2.363 1.00 0.00 C ATOM 807 CD PRO A 240 5.526 -3.752 -1.593 1.00 0.00 C ATOM 0 HA PRO A 240 8.717 -4.065 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.636 -6.053 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 240 7.236 -5.938 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.619 -4.913 -3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 240 5.044 -5.828 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.815 -3.109 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 240 5.114 -3.951 -0.604 1.00 0.00 H new ATOM 815 N ARG A 241 8.699 -2.296 -3.486 1.00 0.00 N ATOM 816 CA ARG A 241 9.469 -1.711 -4.583 1.00 0.00 C ATOM 817 C ARG A 241 10.285 -0.522 -4.069 1.00 0.00 C ATOM 818 O ARG A 241 11.429 -0.333 -4.477 1.00 0.00 O ATOM 819 CB ARG A 241 8.540 -1.245 -5.718 1.00 0.00 C ATOM 820 CG ARG A 241 7.702 -2.365 -6.355 1.00 0.00 C ATOM 821 CD ARG A 241 6.841 -1.786 -7.484 1.00 0.00 C ATOM 822 NE ARG A 241 5.983 -2.813 -8.091 1.00 0.00 N ATOM 823 CZ ARG A 241 5.023 -2.583 -9.000 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.760 -1.353 -9.449 1.00 0.00 N ATOM 825 NH2 ARG A 241 4.312 -3.606 -9.474 1.00 0.00 N ATOM 0 H ARG A 241 8.252 -1.592 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 241 10.141 -2.475 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.867 -0.481 -5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 241 9.143 -0.773 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.356 -3.144 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 241 7.066 -2.831 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.222 -0.979 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.486 -1.352 -8.248 1.00 0.00 H new ATOM 0 HE ARG A 241 6.129 -3.779 -7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.295 -0.558 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 241 4.024 -1.209 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.500 -4.553 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 241 3.580 -3.442 -10.165 1.00 0.00 H new ATOM 839 N CYS A 242 9.708 0.244 -3.136 1.00 0.00 N ATOM 840 CA CYS A 242 10.326 1.313 -2.395 1.00 0.00 C ATOM 841 C CYS A 242 11.265 0.785 -1.300 1.00 0.00 C ATOM 842 O CYS A 242 12.292 1.403 -1.025 1.00 0.00 O ATOM 843 CB CYS A 242 9.146 2.060 -1.787 1.00 0.00 C ATOM 844 SG CYS A 242 8.341 3.110 -3.035 1.00 0.00 S ATOM 0 H CYS A 242 8.732 0.112 -2.872 1.00 0.00 H new ATOM 0 HA CYS A 242 10.952 1.943 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.426 1.347 -1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.488 2.674 -0.953 1.00 0.00 H new ATOM 0 HG CYS A 242 8.760 4.334 -2.908 1.00 0.00 H new