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 -173:sc= -2.17! USER MOD Set 1.2: A 217 CYS SG : rot 120:sc= 0.664 USER MOD Set 1.3: A 239 CYS SG : rot 177:sc= -0.112 USER MOD Set 1.4: A 242 CYS SG : rot 104:sc= 0.645 USER MOD Set 2.1: A 199 CYS SG : rot -115:sc= 1.16 USER MOD Set 2.2: A 201 CYS SG : rot 78:sc= 1.31 USER MOD Set 2.3: A 206 TYR OH : rot -49:sc= 0.214 USER MOD Set 2.4: A 223 HIS :FLIP no HD1:sc= -0.1 F(o=3.9,f=4.7) USER MOD Set 2.5: A 226 CYS SG : rot -70:sc= 2.09 USER MOD Single : A 197 THR OG1 : rot -28:sc= 0.0475 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=-0.21) USER MOD Single : A 203 GLN : amide:sc= 0.238 X(o=0.24,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 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.136 2.670 -8.791 1.00 0.00 N ATOM 149 CA THR A 197 -7.454 1.399 -8.550 1.00 0.00 C ATOM 150 C THR A 197 -5.942 1.653 -8.491 1.00 0.00 C ATOM 151 O THR A 197 -5.437 2.424 -9.311 1.00 0.00 O ATOM 152 CB THR A 197 -7.763 0.414 -9.694 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.344 0.903 -10.952 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.247 0.052 -9.816 1.00 0.00 C ATOM 0 HA THR A 197 -7.799 0.971 -7.609 1.00 0.00 H new ATOM 0 HB THR A 197 -7.201 -0.479 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.359 1.883 -10.943 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.385 -0.645 -10.643 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.586 -0.412 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.828 0.955 -10.002 1.00 0.00 H new ATOM 162 N TYR A 198 -5.212 1.018 -7.549 1.00 0.00 N ATOM 163 CA TYR A 198 -3.764 1.252 -7.434 1.00 0.00 C ATOM 164 C TYR A 198 -2.952 0.131 -6.763 1.00 0.00 C ATOM 165 O TYR A 198 -1.846 -0.096 -7.255 1.00 0.00 O ATOM 166 CB TYR A 198 -3.410 2.571 -6.722 1.00 0.00 C ATOM 167 CG TYR A 198 -4.190 3.831 -7.063 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.432 4.090 -6.449 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.663 4.757 -7.987 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.147 5.260 -6.751 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.378 5.926 -8.303 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.624 6.183 -7.686 1.00 0.00 C ATOM 173 OH TYR A 198 -6.318 7.317 -7.990 1.00 0.00 O ATOM 0 H TYR A 198 -5.594 0.355 -6.874 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.474 1.292 -8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.511 2.402 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.357 2.775 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.837 3.383 -5.740 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.707 4.568 -8.453 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.094 5.455 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.975 6.628 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.816 7.841 -8.649 1.00 0.00 H new ATOM 183 N CYS A 199 -3.422 -0.576 -5.704 1.00 0.00 N ATOM 184 CA CYS A 199 -2.687 -1.769 -5.228 1.00 0.00 C ATOM 185 C CYS A 199 -2.435 -2.776 -6.362 1.00 0.00 C ATOM 186 O CYS A 199 -2.972 -2.686 -7.467 1.00 0.00 O ATOM 187 CB CYS A 199 -3.275 -2.508 -3.996 1.00 0.00 C ATOM 188 SG CYS A 199 -1.845 -3.175 -3.067 1.00 0.00 S ATOM 0 H CYS A 199 -4.270 -0.352 -5.184 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.748 -1.340 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.858 -1.827 -3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.945 -3.310 -4.307 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.880 -4.474 -3.091 1.00 0.00 H new ATOM 193 N LEU A 200 -1.670 -3.808 -6.011 1.00 0.00 N ATOM 194 CA LEU A 200 -1.422 -5.002 -6.812 1.00 0.00 C ATOM 195 C LEU A 200 -2.720 -5.780 -7.069 1.00 0.00 C ATOM 196 O LEU A 200 -2.721 -6.744 -7.832 1.00 0.00 O ATOM 197 CB LEU A 200 -0.398 -5.913 -6.100 1.00 0.00 C ATOM 198 CG LEU A 200 0.759 -5.193 -5.377 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.642 -6.216 -4.648 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.623 -4.353 -6.329 1.00 0.00 C ATOM 0 H LEU A 200 -1.183 -3.834 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.019 -4.684 -7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.930 -6.525 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.028 -6.593 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 200 0.306 -4.508 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.456 -5.698 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.043 -6.757 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.055 -6.921 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.421 -3.870 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.058 -4.999 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.005 -3.593 -6.807 1.00 0.00 H new ATOM 212 N CYS A 201 -3.816 -5.358 -6.421 1.00 0.00 N ATOM 213 CA CYS A 201 -5.131 -5.926 -6.528 1.00 0.00 C ATOM 214 C CYS A 201 -6.024 -5.169 -7.518 1.00 0.00 C ATOM 215 O CYS A 201 -7.103 -5.663 -7.844 1.00 0.00 O ATOM 216 CB CYS A 201 -5.739 -5.797 -5.144 1.00 0.00 C ATOM 217 SG CYS A 201 -4.981 -6.936 -3.960 1.00 0.00 S ATOM 0 H CYS A 201 -3.787 -4.567 -5.778 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.060 -6.953 -6.887 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.619 -4.773 -4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.810 -5.992 -5.199 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.829 -6.466 -3.582 1.00 0.00 H new ATOM 222 N HIS A 202 -5.586 -3.972 -7.944 1.00 0.00 N ATOM 223 CA HIS A 202 -6.304 -3.018 -8.780 1.00 0.00 C ATOM 224 C HIS A 202 -7.759 -2.820 -8.327 1.00 0.00 C ATOM 225 O HIS A 202 -8.692 -2.909 -9.124 1.00 0.00 O ATOM 226 CB HIS A 202 -6.099 -3.321 -10.277 1.00 0.00 C ATOM 227 CG HIS A 202 -6.548 -4.689 -10.731 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.837 -5.072 -11.024 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.752 -5.789 -10.913 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.812 -6.373 -11.363 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.561 -6.858 -11.313 1.00 0.00 N ATOM 0 H HIS A 202 -4.658 -3.631 -7.692 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.865 -2.030 -8.639 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.635 -2.571 -10.858 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.040 -3.209 -10.511 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.682 -5.825 -10.772 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.682 -6.951 -11.639 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.262 -7.810 -11.523 1.00 0.00 H new ATOM 239 N GLN A 203 -7.935 -2.578 -7.018 1.00 0.00 N ATOM 240 CA GLN A 203 -9.207 -2.277 -6.380 1.00 0.00 C ATOM 241 C GLN A 203 -8.912 -1.686 -5.002 1.00 0.00 C ATOM 242 O GLN A 203 -7.926 -2.057 -4.370 1.00 0.00 O ATOM 243 CB GLN A 203 -10.093 -3.536 -6.272 1.00 0.00 C ATOM 244 CG GLN A 203 -9.531 -4.607 -5.326 1.00 0.00 C ATOM 245 CD GLN A 203 -10.197 -5.964 -5.531 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.112 -6.331 -4.800 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.735 -6.725 -6.523 1.00 0.00 N ATOM 0 H GLN A 203 -7.158 -2.589 -6.357 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.764 -1.559 -6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.085 -3.243 -5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.216 -3.969 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.457 -4.703 -5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.672 -4.287 -4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.973 -6.388 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.144 -7.644 -6.694 1.00 0.00 H new ATOM 256 N VAL A 204 -9.790 -0.785 -4.561 1.00 0.00 N ATOM 257 CA VAL A 204 -9.759 -0.066 -3.273 1.00 0.00 C ATOM 258 C VAL A 204 -11.153 -0.080 -2.602 1.00 0.00 C ATOM 259 O VAL A 204 -12.113 -0.593 -3.176 1.00 0.00 O ATOM 260 CB VAL A 204 -9.168 1.369 -3.406 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.417 1.784 -2.117 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.207 1.528 -4.597 1.00 0.00 C ATOM 0 H VAL A 204 -10.596 -0.516 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.076 -0.601 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.028 2.017 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.015 2.790 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.107 1.768 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.600 1.087 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.833 2.551 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.370 0.839 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.736 1.306 -5.524 1.00 0.00 H new ATOM 272 N SER A 205 -11.251 0.472 -1.379 1.00 0.00 N ATOM 273 CA SER A 205 -12.441 0.491 -0.517 1.00 0.00 C ATOM 274 C SER A 205 -12.884 -0.919 -0.079 1.00 0.00 C ATOM 275 O SER A 205 -13.970 -1.386 -0.420 1.00 0.00 O ATOM 276 CB SER A 205 -13.553 1.348 -1.145 1.00 0.00 C ATOM 277 OG SER A 205 -14.545 1.657 -0.187 1.00 0.00 O ATOM 0 H SER A 205 -10.457 0.942 -0.944 1.00 0.00 H new ATOM 0 HA SER A 205 -12.176 0.980 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.128 2.268 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.002 0.814 -1.982 1.00 0.00 H new ATOM 0 HG SER A 205 -15.243 2.204 -0.604 1.00 0.00 H new ATOM 283 N TYR A 206 -11.994 -1.606 0.652 1.00 0.00 N ATOM 284 CA TYR A 206 -12.113 -3.002 1.076 1.00 0.00 C ATOM 285 C TYR A 206 -11.123 -3.263 2.221 1.00 0.00 C ATOM 286 O TYR A 206 -9.907 -3.276 2.018 1.00 0.00 O ATOM 287 CB TYR A 206 -11.901 -3.989 -0.101 1.00 0.00 C ATOM 288 CG TYR A 206 -10.523 -4.078 -0.757 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.777 -2.916 -1.022 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.983 -5.329 -1.133 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.522 -2.993 -1.613 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.720 -5.411 -1.760 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.984 -4.228 -2.002 1.00 0.00 C ATOM 294 OH TYR A 206 -6.778 -4.210 -2.637 1.00 0.00 O ATOM 0 H TYR A 206 -11.128 -1.177 0.979 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.128 -3.175 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.160 -4.986 0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.619 -3.732 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.185 -1.950 -0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.542 -6.232 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.953 -2.089 -1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.319 -6.370 -2.052 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.800 -3.551 -3.362 1.00 0.00 H new ATOM 304 N GLY A 207 -11.654 -3.461 3.435 1.00 0.00 N ATOM 305 CA GLY A 207 -10.894 -3.699 4.640 1.00 0.00 C ATOM 306 C GLY A 207 -9.945 -2.558 4.988 1.00 0.00 C ATOM 307 O GLY A 207 -10.090 -1.409 4.570 1.00 0.00 O ATOM 0 H GLY A 207 -12.661 -3.457 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.582 -3.856 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.319 -4.618 4.524 1.00 0.00 H new ATOM 311 N GLU A 208 -8.966 -2.955 5.789 1.00 0.00 N ATOM 312 CA GLU A 208 -7.772 -2.202 6.160 1.00 0.00 C ATOM 313 C GLU A 208 -6.861 -1.959 4.940 1.00 0.00 C ATOM 314 O GLU A 208 -6.768 -2.791 4.037 1.00 0.00 O ATOM 315 CB GLU A 208 -7.038 -2.907 7.320 1.00 0.00 C ATOM 316 CG GLU A 208 -6.850 -4.433 7.193 1.00 0.00 C ATOM 317 CD GLU A 208 -8.087 -5.236 7.605 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.348 -5.301 8.826 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.756 -5.768 6.691 1.00 0.00 O ATOM 0 H GLU A 208 -8.985 -3.875 6.228 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.072 -1.216 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.054 -2.450 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.585 -2.707 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.596 -4.675 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.005 -4.740 7.810 1.00 0.00 H new ATOM 326 N MET A 209 -6.203 -0.788 4.920 1.00 0.00 N ATOM 327 CA MET A 209 -5.472 -0.220 3.778 1.00 0.00 C ATOM 328 C MET A 209 -4.329 0.677 4.283 1.00 0.00 C ATOM 329 O MET A 209 -4.390 1.176 5.408 1.00 0.00 O ATOM 330 CB MET A 209 -6.467 0.605 2.933 1.00 0.00 C ATOM 331 CG MET A 209 -7.574 -0.262 2.306 1.00 0.00 C ATOM 332 SD MET A 209 -8.675 0.563 1.132 1.00 0.00 S ATOM 333 CE MET A 209 -9.626 1.612 2.261 1.00 0.00 C ATOM 0 H MET A 209 -6.165 -0.183 5.741 1.00 0.00 H new ATOM 0 HA MET A 209 -5.039 -1.015 3.171 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.923 1.371 3.560 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.924 1.122 2.142 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.102 -1.103 1.798 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.181 -0.675 3.111 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.355 2.191 1.693 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.146 0.987 2.987 1.00 0.00 H new ATOM 0 HE3 MET A 209 -8.951 2.290 2.783 1.00 0.00 H new ATOM 343 N ILE A 210 -3.289 0.888 3.454 1.00 0.00 N ATOM 344 CA ILE A 210 -2.082 1.631 3.819 1.00 0.00 C ATOM 345 C ILE A 210 -1.676 2.541 2.650 1.00 0.00 C ATOM 346 O ILE A 210 -2.517 3.262 2.116 1.00 0.00 O ATOM 347 CB ILE A 210 -0.998 0.666 4.403 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.192 1.331 5.141 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.466 -0.429 3.460 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.219 2.287 6.266 1.00 0.00 C ATOM 0 H ILE A 210 -3.270 0.538 2.496 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.254 2.321 4.645 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.617 0.173 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.828 0.550 5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.794 1.879 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.278 -1.030 3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.290 -1.068 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.009 0.034 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.673 2.708 6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.829 3.092 5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.794 1.742 7.015 1.00 0.00 H new ATOM 362 N GLY A 211 -0.392 2.548 2.295 1.00 0.00 N ATOM 363 CA GLY A 211 0.242 3.470 1.374 1.00 0.00 C ATOM 364 C GLY A 211 1.677 3.789 1.739 1.00 0.00 C ATOM 365 O GLY A 211 1.993 4.035 2.903 1.00 0.00 O ATOM 0 H GLY A 211 0.267 1.866 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.215 3.046 0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.333 4.396 1.344 1.00 0.00 H new ATOM 369 N CYS A 212 2.530 3.784 0.706 1.00 0.00 N ATOM 370 CA CYS A 212 3.950 4.094 0.851 1.00 0.00 C ATOM 371 C CYS A 212 4.108 5.552 1.280 1.00 0.00 C ATOM 372 O CYS A 212 3.632 6.451 0.588 1.00 0.00 O ATOM 373 CB CYS A 212 4.812 3.769 -0.390 1.00 0.00 C ATOM 374 SG CYS A 212 6.525 3.682 0.225 1.00 0.00 S ATOM 0 H CYS A 212 2.251 3.565 -0.250 1.00 0.00 H new ATOM 0 HA CYS A 212 4.337 3.432 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.508 2.826 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.707 4.539 -1.155 1.00 0.00 H new ATOM 0 HG CYS A 212 7.340 3.550 -0.779 1.00 0.00 H new ATOM 379 N ASP A 213 4.831 5.767 2.392 1.00 0.00 N ATOM 380 CA ASP A 213 5.263 7.084 2.860 1.00 0.00 C ATOM 381 C ASP A 213 6.223 7.785 1.871 1.00 0.00 C ATOM 382 O ASP A 213 6.678 8.892 2.147 1.00 0.00 O ATOM 383 CB ASP A 213 5.900 6.943 4.252 1.00 0.00 C ATOM 384 CG ASP A 213 4.907 6.523 5.344 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.398 5.384 5.270 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.719 7.332 6.280 1.00 0.00 O ATOM 0 H ASP A 213 5.136 5.008 3.001 1.00 0.00 H new ATOM 0 HA ASP A 213 4.383 7.724 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.704 6.208 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.354 7.893 4.532 1.00 0.00 H new ATOM 391 N ASP A 214 6.539 7.142 0.736 1.00 0.00 N ATOM 392 CA ASP A 214 7.209 7.681 -0.436 1.00 0.00 C ATOM 393 C ASP A 214 6.305 8.771 -1.036 1.00 0.00 C ATOM 394 O ASP A 214 5.238 8.434 -1.551 1.00 0.00 O ATOM 395 CB ASP A 214 7.366 6.464 -1.354 1.00 0.00 C ATOM 396 CG ASP A 214 7.761 6.667 -2.804 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.331 7.726 -3.140 1.00 0.00 O ATOM 398 OD2 ASP A 214 7.434 5.708 -3.547 1.00 0.00 O ATOM 0 H ASP A 214 6.311 6.155 0.615 1.00 0.00 H new ATOM 0 HA ASP A 214 8.176 8.147 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.110 5.808 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.419 5.925 -1.346 1.00 0.00 H new ATOM 403 N PRO A 215 6.693 10.063 -0.979 1.00 0.00 N ATOM 404 CA PRO A 215 5.867 11.173 -1.454 1.00 0.00 C ATOM 405 C PRO A 215 5.896 11.333 -2.982 1.00 0.00 C ATOM 406 O PRO A 215 5.404 12.330 -3.509 1.00 0.00 O ATOM 407 CB PRO A 215 6.430 12.402 -0.731 1.00 0.00 C ATOM 408 CG PRO A 215 7.924 12.089 -0.673 1.00 0.00 C ATOM 409 CD PRO A 215 7.948 10.577 -0.444 1.00 0.00 C ATOM 0 HA PRO A 215 4.812 11.010 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 215 6.228 13.323 -1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 215 6.000 12.521 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.431 12.366 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 215 8.419 12.628 0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.801 10.121 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 215 8.042 10.346 0.617 1.00 0.00 H new ATOM 417 N ASP A 216 6.449 10.334 -3.680 1.00 0.00 N ATOM 418 CA ASP A 216 6.494 10.222 -5.129 1.00 0.00 C ATOM 419 C ASP A 216 5.980 8.836 -5.561 1.00 0.00 C ATOM 420 O ASP A 216 6.088 8.490 -6.737 1.00 0.00 O ATOM 421 CB ASP A 216 7.931 10.519 -5.598 1.00 0.00 C ATOM 422 CG ASP A 216 8.052 10.688 -7.115 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.374 11.593 -7.647 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.835 9.919 -7.717 1.00 0.00 O ATOM 0 H ASP A 216 6.899 9.544 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 216 5.837 10.950 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.285 11.427 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.585 9.708 -5.277 1.00 0.00 H new ATOM 429 N CYS A 217 5.412 8.039 -4.631 1.00 0.00 N ATOM 430 CA CYS A 217 4.859 6.731 -4.946 1.00 0.00 C ATOM 431 C CYS A 217 3.803 6.795 -6.054 1.00 0.00 C ATOM 432 O CYS A 217 2.799 7.499 -5.949 1.00 0.00 O ATOM 433 CB CYS A 217 4.291 6.114 -3.671 1.00 0.00 C ATOM 434 SG CYS A 217 3.874 4.375 -3.954 1.00 0.00 S ATOM 0 H CYS A 217 5.330 8.295 -3.647 1.00 0.00 H new ATOM 0 HA CYS A 217 5.660 6.100 -5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.018 6.195 -2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.403 6.662 -3.357 1.00 0.00 H new ATOM 0 HG CYS A 217 4.563 3.626 -3.144 1.00 0.00 H new ATOM 440 N SER A 218 4.058 6.004 -7.101 1.00 0.00 N ATOM 441 CA SER A 218 3.267 5.896 -8.331 1.00 0.00 C ATOM 442 C SER A 218 1.950 5.123 -8.141 1.00 0.00 C ATOM 443 O SER A 218 1.211 4.930 -9.104 1.00 0.00 O ATOM 444 CB SER A 218 4.110 5.206 -9.415 1.00 0.00 C ATOM 445 OG SER A 218 5.370 5.829 -9.571 1.00 0.00 O ATOM 0 H SER A 218 4.869 5.386 -7.113 1.00 0.00 H new ATOM 0 HA SER A 218 2.999 6.910 -8.628 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.252 4.157 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.573 5.228 -10.363 1.00 0.00 H new ATOM 0 HG SER A 218 5.881 5.364 -10.266 1.00 0.00 H new ATOM 451 N ILE A 219 1.674 4.673 -6.910 1.00 0.00 N ATOM 452 CA ILE A 219 0.529 3.853 -6.524 1.00 0.00 C ATOM 453 C ILE A 219 -0.144 4.460 -5.277 1.00 0.00 C ATOM 454 O ILE A 219 -1.370 4.442 -5.183 1.00 0.00 O ATOM 455 CB ILE A 219 1.019 2.389 -6.346 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.095 1.690 -7.724 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.157 1.612 -5.347 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.642 0.256 -7.689 1.00 0.00 C ATOM 0 H ILE A 219 2.279 4.885 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.244 3.838 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 219 2.022 2.410 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.097 1.673 -8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.723 2.288 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.536 0.594 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.195 2.103 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.874 1.585 -5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.658 -0.152 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.654 0.262 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.003 -0.362 -7.058 1.00 0.00 H new ATOM 470 N GLU A 220 0.652 5.053 -4.374 1.00 0.00 N ATOM 471 CA GLU A 220 0.258 5.879 -3.224 1.00 0.00 C ATOM 472 C GLU A 220 -0.429 5.131 -2.066 1.00 0.00 C ATOM 473 O GLU A 220 -0.315 5.573 -0.926 1.00 0.00 O ATOM 474 CB GLU A 220 -0.470 7.158 -3.707 1.00 0.00 C ATOM 475 CG GLU A 220 -1.977 7.278 -3.410 1.00 0.00 C ATOM 476 CD GLU A 220 -2.300 7.759 -1.989 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.671 8.748 -1.550 1.00 0.00 O ATOM 478 OE2 GLU A 220 -3.198 7.149 -1.370 1.00 0.00 O ATOM 0 H GLU A 220 1.666 4.960 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 220 1.180 6.195 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.030 8.018 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.333 7.235 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.423 7.968 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.446 6.307 -3.569 1.00 0.00 H new ATOM 485 N TRP A 221 -1.075 3.989 -2.336 1.00 0.00 N ATOM 486 CA TRP A 221 -1.805 3.171 -1.372 1.00 0.00 C ATOM 487 C TRP A 221 -1.612 1.686 -1.721 1.00 0.00 C ATOM 488 O TRP A 221 -1.512 1.315 -2.888 1.00 0.00 O ATOM 489 CB TRP A 221 -3.273 3.603 -1.319 1.00 0.00 C ATOM 490 CG TRP A 221 -4.183 2.714 -2.052 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.519 2.805 -3.347 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.715 1.466 -1.559 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.154 1.639 -3.718 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.251 0.753 -2.661 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.681 0.835 -0.301 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.706 -0.562 -2.527 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.185 -0.463 -0.153 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.652 -1.177 -1.263 1.00 0.00 C ATOM 0 H TRP A 221 -1.101 3.597 -3.277 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.412 3.317 -0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.590 3.651 -0.277 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.360 4.611 -1.726 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.325 3.650 -3.991 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.508 1.453 -4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.266 1.353 0.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.093 -1.098 -3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.214 -0.917 0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -5.972 -2.202 -1.149 1.00 0.00 H new ATOM 509 N PHE A 222 -1.606 0.827 -0.699 1.00 0.00 N ATOM 510 CA PHE A 222 -1.375 -0.613 -0.836 1.00 0.00 C ATOM 511 C PHE A 222 -2.208 -1.343 0.200 1.00 0.00 C ATOM 512 O PHE A 222 -2.562 -0.784 1.234 1.00 0.00 O ATOM 513 CB PHE A 222 0.097 -0.976 -0.594 1.00 0.00 C ATOM 514 CG PHE A 222 1.050 -0.432 -1.628 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.535 0.876 -1.486 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.439 -1.217 -2.731 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.374 1.424 -2.460 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.307 -0.680 -3.695 1.00 0.00 C ATOM 519 CZ PHE A 222 2.762 0.644 -3.560 1.00 0.00 C ATOM 0 H PHE A 222 -1.765 1.118 0.266 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.649 -0.901 -1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.394 -0.605 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.191 -2.062 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.259 1.462 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.071 -2.227 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.722 2.442 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.623 -1.280 -4.535 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.416 1.064 -4.310 1.00 0.00 H new ATOM 529 N HIS A 223 -2.514 -2.608 -0.079 1.00 0.00 N ATOM 530 CA HIS A 223 -3.374 -3.401 0.774 1.00 0.00 C ATOM 531 C HIS A 223 -2.575 -3.945 1.956 1.00 0.00 C ATOM 532 O HIS A 223 -1.419 -4.336 1.814 1.00 0.00 O ATOM 533 CB HIS A 223 -4.029 -4.494 -0.076 1.00 0.00 C ATOM 534 CG HIS A 223 -5.319 -5.054 0.461 1.00 0.00 C ATOM 535 ND1 HIS A 223 -6.251 -4.391 1.211 1.00 0.00 N flip ATOM 536 CD2 HIS A 223 -5.793 -6.330 0.163 1.00 0.00 C flip ATOM 537 CE1 HIS A 223 -7.284 -5.270 1.413 1.00 0.00 C flip ATOM 538 NE2 HIS A 223 -6.981 -6.420 0.785 1.00 0.00 N flip ATOM 0 H HIS A 223 -2.171 -3.104 -0.901 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.173 -2.796 1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.216 -4.091 -1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.319 -5.313 -0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -5.309 -7.085 -0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -8.183 -5.073 1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.574 -7.250 0.781 1.00 0.00 H new ATOM 546 N PHE A 224 -3.241 -3.992 3.111 1.00 0.00 N ATOM 547 CA PHE A 224 -2.782 -4.625 4.354 1.00 0.00 C ATOM 548 C PHE A 224 -2.507 -6.135 4.227 1.00 0.00 C ATOM 549 O PHE A 224 -2.057 -6.745 5.195 1.00 0.00 O ATOM 550 CB PHE A 224 -3.826 -4.379 5.456 1.00 0.00 C ATOM 551 CG PHE A 224 -3.426 -3.412 6.552 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.159 -2.065 6.246 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.428 -3.834 7.896 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.922 -1.141 7.280 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.216 -2.905 8.927 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.964 -1.558 8.620 1.00 0.00 C ATOM 0 H PHE A 224 -4.163 -3.568 3.213 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.825 -4.167 4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.738 -4.008 4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.071 -5.336 5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.136 -1.740 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.593 -4.874 8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.707 -0.109 7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.247 -3.227 9.958 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.803 -0.844 9.414 1.00 0.00 H new ATOM 566 N ALA A 225 -2.749 -6.730 3.052 1.00 0.00 N ATOM 567 CA ALA A 225 -2.407 -8.101 2.721 1.00 0.00 C ATOM 568 C ALA A 225 -1.540 -8.193 1.455 1.00 0.00 C ATOM 569 O ALA A 225 -1.016 -9.271 1.177 1.00 0.00 O ATOM 570 CB ALA A 225 -3.691 -8.927 2.602 1.00 0.00 C ATOM 0 H ALA A 225 -3.207 -6.242 2.282 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.798 -8.514 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.439 -9.958 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.228 -8.903 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.321 -8.508 1.818 1.00 0.00 H new ATOM 576 N CYS A 226 -1.327 -7.083 0.724 1.00 0.00 N ATOM 577 CA CYS A 226 -0.331 -7.009 -0.347 1.00 0.00 C ATOM 578 C CYS A 226 1.107 -6.857 0.188 1.00 0.00 C ATOM 579 O CYS A 226 2.058 -6.851 -0.593 1.00 0.00 O ATOM 580 CB CYS A 226 -0.702 -5.880 -1.287 1.00 0.00 C ATOM 581 SG CYS A 226 -1.913 -6.487 -2.492 1.00 0.00 S ATOM 0 H CYS A 226 -1.844 -6.215 0.864 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.340 -7.953 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.117 -5.044 -0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.186 -5.510 -1.800 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.334 -7.316 -3.309 1.00 0.00 H new ATOM 587 N VAL A 227 1.250 -6.769 1.516 1.00 0.00 N ATOM 588 CA VAL A 227 2.499 -6.777 2.279 1.00 0.00 C ATOM 589 C VAL A 227 2.417 -7.748 3.478 1.00 0.00 C ATOM 590 O VAL A 227 3.414 -7.994 4.153 1.00 0.00 O ATOM 591 CB VAL A 227 2.857 -5.328 2.669 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.698 -4.624 3.391 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.161 -5.212 3.481 1.00 0.00 C ATOM 0 H VAL A 227 0.437 -6.684 2.126 1.00 0.00 H new ATOM 0 HA VAL A 227 3.315 -7.159 1.665 1.00 0.00 H new ATOM 0 HB VAL A 227 3.035 -4.813 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 227 1.993 -3.607 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.826 -4.595 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.451 -5.170 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.349 -4.165 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.067 -5.783 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.991 -5.605 2.894 1.00 0.00 H new ATOM 603 N GLY A 228 1.234 -8.330 3.715 1.00 0.00 N ATOM 604 CA GLY A 228 0.960 -9.245 4.818 1.00 0.00 C ATOM 605 C GLY A 228 1.041 -8.566 6.190 1.00 0.00 C ATOM 606 O GLY A 228 1.541 -9.179 7.132 1.00 0.00 O ATOM 0 H GLY A 228 0.419 -8.168 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.033 -9.675 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.671 -10.070 4.784 1.00 0.00 H new ATOM 610 N LEU A 229 0.601 -7.301 6.289 1.00 0.00 N ATOM 611 CA LEU A 229 0.653 -6.516 7.525 1.00 0.00 C ATOM 612 C LEU A 229 -0.246 -7.117 8.608 1.00 0.00 C ATOM 613 O LEU A 229 0.253 -7.451 9.682 1.00 0.00 O ATOM 614 CB LEU A 229 0.231 -5.054 7.257 1.00 0.00 C ATOM 615 CG LEU A 229 1.389 -4.113 6.877 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.804 -2.786 6.369 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.343 -3.840 8.046 1.00 0.00 C ATOM 0 H LEU A 229 0.196 -6.793 5.503 1.00 0.00 H new ATOM 0 HA LEU A 229 1.683 -6.536 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.507 -5.044 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.261 -4.662 8.147 1.00 0.00 H new ATOM 0 HG LEU A 229 1.974 -4.606 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.616 -2.111 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.180 -2.974 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.201 -2.330 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.138 -3.171 7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.792 -3.375 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.777 -4.779 8.388 1.00 0.00 H new ATOM 746 N TRP A 237 6.423 3.631 6.549 1.00 0.00 N ATOM 747 CA TRP A 237 6.248 2.326 5.912 1.00 0.00 C ATOM 748 C TRP A 237 6.659 2.425 4.435 1.00 0.00 C ATOM 749 O TRP A 237 6.621 3.506 3.842 1.00 0.00 O ATOM 750 CB TRP A 237 4.801 1.840 6.093 1.00 0.00 C ATOM 751 CG TRP A 237 4.444 0.539 5.425 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.544 -0.700 5.957 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.968 0.330 4.061 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.167 -1.647 5.023 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.818 -1.067 3.821 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.710 1.195 2.985 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.416 -1.567 2.568 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.341 0.708 1.716 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.166 -0.672 1.520 1.00 0.00 C ATOM 0 HA TRP A 237 6.891 1.583 6.385 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.605 1.741 7.161 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.131 2.613 5.716 1.00 0.00 H new ATOM 0 HD1 TRP A 237 4.870 -0.918 6.963 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.149 -2.651 5.201 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.797 2.261 3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.301 -2.630 2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 3.193 1.394 0.895 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.838 -1.043 0.560 1.00 0.00 H new ATOM 770 N PHE A 238 7.034 1.286 3.837 1.00 0.00 N ATOM 771 CA PHE A 238 7.527 1.213 2.470 1.00 0.00 C ATOM 772 C PHE A 238 6.870 0.050 1.720 1.00 0.00 C ATOM 773 O PHE A 238 6.783 -1.059 2.249 1.00 0.00 O ATOM 774 CB PHE A 238 9.053 1.049 2.480 1.00 0.00 C ATOM 775 CG PHE A 238 9.826 2.250 2.998 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.878 3.440 2.245 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.520 2.174 4.222 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.641 4.530 2.694 1.00 0.00 C ATOM 779 CE2 PHE A 238 11.272 3.271 4.677 1.00 0.00 C ATOM 780 CZ PHE A 238 11.343 4.446 3.909 1.00 0.00 C ATOM 0 H PHE A 238 7.000 0.380 4.304 1.00 0.00 H new ATOM 0 HA PHE A 238 7.270 2.137 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.306 0.182 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.386 0.832 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.328 3.514 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 238 10.474 1.271 4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.689 5.434 2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.797 3.211 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.935 5.282 4.251 1.00 0.00 H new ATOM 790 N CYS A 239 6.448 0.297 0.468 1.00 0.00 N ATOM 791 CA CYS A 239 5.940 -0.720 -0.443 1.00 0.00 C ATOM 792 C CYS A 239 7.023 -1.733 -0.846 1.00 0.00 C ATOM 793 O CYS A 239 8.205 -1.448 -0.652 1.00 0.00 O ATOM 794 CB CYS A 239 5.300 0.010 -1.632 1.00 0.00 C ATOM 795 SG CYS A 239 6.461 0.991 -2.621 1.00 0.00 S ATOM 0 H CYS A 239 6.454 1.232 0.061 1.00 0.00 H new ATOM 0 HA CYS A 239 5.183 -1.332 0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.821 -0.725 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.514 0.667 -1.259 1.00 0.00 H new ATOM 0 HG CYS A 239 5.836 1.511 -3.635 1.00 0.00 H new ATOM 801 N PRO A 240 6.658 -2.902 -1.418 1.00 0.00 N ATOM 802 CA PRO A 240 7.602 -3.935 -1.861 1.00 0.00 C ATOM 803 C PRO A 240 8.398 -3.546 -3.129 1.00 0.00 C ATOM 804 O PRO A 240 8.784 -4.417 -3.909 1.00 0.00 O ATOM 805 CB PRO A 240 6.754 -5.207 -2.020 1.00 0.00 C ATOM 806 CG PRO A 240 5.377 -4.670 -2.392 1.00 0.00 C ATOM 807 CD PRO A 240 5.289 -3.397 -1.555 1.00 0.00 C ATOM 0 HA PRO A 240 8.399 -4.085 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.153 -5.861 -2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.723 -5.787 -1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.296 -4.462 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.584 -5.376 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.654 -2.656 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.850 -3.603 -0.579 1.00 0.00 H new ATOM 815 N ARG A 241 8.668 -2.245 -3.324 1.00 0.00 N ATOM 816 CA ARG A 241 9.562 -1.707 -4.347 1.00 0.00 C ATOM 817 C ARG A 241 10.494 -0.658 -3.731 1.00 0.00 C ATOM 818 O ARG A 241 11.674 -0.606 -4.073 1.00 0.00 O ATOM 819 CB ARG A 241 8.763 -1.095 -5.510 1.00 0.00 C ATOM 820 CG ARG A 241 7.875 -2.115 -6.243 1.00 0.00 C ATOM 821 CD ARG A 241 7.239 -1.519 -7.506 1.00 0.00 C ATOM 822 NE ARG A 241 6.307 -0.419 -7.200 1.00 0.00 N ATOM 823 CZ ARG A 241 5.838 0.474 -8.086 1.00 0.00 C ATOM 824 NH1 ARG A 241 6.174 0.428 -9.377 1.00 0.00 N ATOM 825 NH2 ARG A 241 5.012 1.437 -7.675 1.00 0.00 N ATOM 0 H ARG A 241 8.250 -1.515 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 241 10.162 -2.526 -4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 241 8.138 -0.289 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 241 9.457 -0.649 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.471 -2.986 -6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 241 7.090 -2.462 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 241 8.025 -1.153 -8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.707 -2.302 -8.046 1.00 0.00 H new ATOM 0 HE ARG A 241 5.992 -0.329 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 241 6.804 -0.300 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.801 1.121 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.741 1.492 -6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 241 4.652 2.119 -8.342 1.00 0.00 H new ATOM 839 N CYS A 242 9.979 0.128 -2.777 1.00 0.00 N ATOM 840 CA CYS A 242 10.718 1.031 -1.926 1.00 0.00 C ATOM 841 C CYS A 242 11.559 0.284 -0.881 1.00 0.00 C ATOM 842 O CYS A 242 12.681 0.699 -0.589 1.00 0.00 O ATOM 843 CB CYS A 242 9.653 1.866 -1.227 1.00 0.00 C ATOM 844 SG CYS A 242 9.215 3.313 -2.225 1.00 0.00 S ATOM 0 H CYS A 242 8.979 0.142 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 242 11.420 1.628 -2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.766 1.258 -1.050 1.00 0.00 H new ATOM 0 HB3 CYS A 242 10.018 2.188 -0.252 1.00 0.00 H new ATOM 0 HG CYS A 242 8.062 3.116 -2.793 1.00 0.00 H new