USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=14 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= -1.83! USER MOD Set 1.2: A 239 CYS SG : rot 177:sc= -0.335 USER MOD Set 1.3: A 242 CYS SG : rot 103:sc= 0.649 USER MOD Set 2.1: A 199 CYS SG : rot -166:sc= -1.3 USER MOD Set 2.2: A 201 CYS SG : rot 80:sc= 1.46 USER MOD Set 2.3: A 206 TYR OH : rot 180:sc= 0.262 USER MOD Set 2.4: A 223 HIS :FLIP no HD1:sc= -0.174 F(o=-0.066,f=0.47) USER MOD Set 2.5: A 226 CYS SG : rot 130:sc= 0.216 USER MOD Single : A 197 THR OG1 : rot -29:sc= 0.0216 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.27) 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 178:sc= 0 (180deg=-0.00627) USER MOD Single : A 217 CYS SG : rot 110:sc= 0.66 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.154 2.543 -8.649 1.00 0.00 N ATOM 149 CA THR A 197 -7.453 1.268 -8.533 1.00 0.00 C ATOM 150 C THR A 197 -5.943 1.533 -8.571 1.00 0.00 C ATOM 151 O THR A 197 -5.488 2.333 -9.391 1.00 0.00 O ATOM 152 CB THR A 197 -7.841 0.331 -9.691 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.496 0.865 -10.953 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.331 -0.024 -9.739 1.00 0.00 C ATOM 0 HA THR A 197 -7.730 0.788 -7.594 1.00 0.00 H new ATOM 0 HB THR A 197 -7.270 -0.574 -9.485 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.519 1.844 -10.912 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.520 -0.687 -10.583 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.616 -0.525 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.919 0.887 -9.854 1.00 0.00 H new ATOM 162 N TYR A 198 -5.163 0.882 -7.685 1.00 0.00 N ATOM 163 CA TYR A 198 -3.722 1.169 -7.577 1.00 0.00 C ATOM 164 C TYR A 198 -2.885 0.026 -6.981 1.00 0.00 C ATOM 165 O TYR A 198 -1.861 -0.304 -7.579 1.00 0.00 O ATOM 166 CB TYR A 198 -3.449 2.429 -6.741 1.00 0.00 C ATOM 167 CG TYR A 198 -4.315 3.660 -6.976 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.580 3.774 -6.362 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.851 4.698 -7.807 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.375 4.912 -6.575 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.645 5.836 -8.035 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.913 5.946 -7.419 1.00 0.00 C ATOM 173 OH TYR A 198 -6.693 7.043 -7.638 1.00 0.00 O ATOM 0 H TYR A 198 -5.502 0.165 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.413 1.312 -8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.540 2.155 -5.690 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.411 2.718 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.940 2.981 -5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.879 4.620 -8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.338 4.996 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.287 6.625 -8.680 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.228 7.660 -8.241 1.00 0.00 H new ATOM 183 N CYS A 199 -3.293 -0.570 -5.839 1.00 0.00 N ATOM 184 CA CYS A 199 -2.748 -1.793 -5.244 1.00 0.00 C ATOM 185 C CYS A 199 -2.370 -2.877 -6.251 1.00 0.00 C ATOM 186 O CYS A 199 -2.772 -2.884 -7.415 1.00 0.00 O ATOM 187 CB CYS A 199 -3.839 -2.430 -4.353 1.00 0.00 C ATOM 188 SG CYS A 199 -5.444 -2.358 -5.091 1.00 0.00 S ATOM 0 H CYS A 199 -4.055 -0.182 -5.282 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.848 -1.482 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.580 -3.470 -4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.862 -1.919 -3.391 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.347 -2.621 -4.193 1.00 0.00 H new ATOM 193 N LEU A 200 -1.710 -3.900 -5.707 1.00 0.00 N ATOM 194 CA LEU A 200 -1.471 -5.147 -6.414 1.00 0.00 C ATOM 195 C LEU A 200 -2.787 -5.921 -6.574 1.00 0.00 C ATOM 196 O LEU A 200 -2.804 -6.932 -7.274 1.00 0.00 O ATOM 197 CB LEU A 200 -0.426 -6.011 -5.679 1.00 0.00 C ATOM 198 CG LEU A 200 0.723 -5.235 -5.007 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.630 -6.208 -4.243 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.567 -4.432 -6.010 1.00 0.00 C ATOM 0 H LEU A 200 -1.328 -3.882 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.075 -4.910 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.938 -6.599 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.003 -6.716 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 200 0.265 -4.521 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.441 -5.654 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.048 -6.724 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.046 -6.938 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.361 -3.906 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.007 -5.111 -6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.933 -3.709 -6.522 1.00 0.00 H new ATOM 212 N CYS A 201 -3.883 -5.451 -5.944 1.00 0.00 N ATOM 213 CA CYS A 201 -5.199 -6.012 -6.111 1.00 0.00 C ATOM 214 C CYS A 201 -6.021 -5.241 -7.155 1.00 0.00 C ATOM 215 O CYS A 201 -7.064 -5.734 -7.581 1.00 0.00 O ATOM 216 CB CYS A 201 -5.862 -5.918 -4.750 1.00 0.00 C ATOM 217 SG CYS A 201 -5.106 -7.033 -3.537 1.00 0.00 S ATOM 0 H CYS A 201 -3.857 -4.660 -5.301 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.136 -7.039 -6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.797 -4.892 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.921 -6.155 -4.847 1.00 0.00 H new ATOM 0 HG CYS A 201 -4.013 -6.499 -3.079 1.00 0.00 H new ATOM 222 N HIS A 202 -5.546 -4.042 -7.534 1.00 0.00 N ATOM 223 CA HIS A 202 -6.198 -3.065 -8.410 1.00 0.00 C ATOM 224 C HIS A 202 -7.681 -2.834 -8.060 1.00 0.00 C ATOM 225 O HIS A 202 -8.550 -2.926 -8.925 1.00 0.00 O ATOM 226 CB HIS A 202 -5.891 -3.360 -9.891 1.00 0.00 C ATOM 227 CG HIS A 202 -6.326 -4.715 -10.392 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.599 -5.083 -10.759 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.528 -5.818 -10.554 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.566 -6.375 -11.123 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.322 -6.872 -11.018 1.00 0.00 N ATOM 0 H HIS A 202 -4.636 -3.712 -7.213 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.758 -2.086 -8.222 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.372 -2.596 -10.502 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.816 -3.263 -10.047 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.467 -5.865 -10.357 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.425 -6.939 -11.456 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.019 -7.822 -11.232 1.00 0.00 H new ATOM 239 N GLN A 203 -7.960 -2.556 -6.774 1.00 0.00 N ATOM 240 CA GLN A 203 -9.285 -2.271 -6.228 1.00 0.00 C ATOM 241 C GLN A 203 -9.104 -1.761 -4.796 1.00 0.00 C ATOM 242 O GLN A 203 -8.259 -2.278 -4.079 1.00 0.00 O ATOM 243 CB GLN A 203 -10.183 -3.528 -6.244 1.00 0.00 C ATOM 244 CG GLN A 203 -9.669 -4.691 -5.377 1.00 0.00 C ATOM 245 CD GLN A 203 -10.375 -6.002 -5.713 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.389 -6.341 -5.109 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.843 -6.749 -6.679 1.00 0.00 N ATOM 0 H GLN A 203 -7.231 -2.524 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.779 -1.518 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.180 -3.251 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.283 -3.875 -7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.595 -4.808 -5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.822 -4.455 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.000 -6.436 -7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.279 -7.634 -6.938 1.00 0.00 H new ATOM 256 N VAL A 204 -9.912 -0.782 -4.384 1.00 0.00 N ATOM 257 CA VAL A 204 -9.897 -0.158 -3.042 1.00 0.00 C ATOM 258 C VAL A 204 -11.286 -0.264 -2.374 1.00 0.00 C ATOM 259 O VAL A 204 -12.238 -0.740 -2.993 1.00 0.00 O ATOM 260 CB VAL A 204 -9.340 1.298 -3.069 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.639 1.676 -1.738 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.341 1.529 -4.215 1.00 0.00 C ATOM 0 H VAL A 204 -10.625 -0.381 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.199 -0.719 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.214 1.932 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.266 2.698 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.352 1.599 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.806 0.996 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.986 2.559 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.496 0.850 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.833 1.342 -5.170 1.00 0.00 H new ATOM 272 N SER A 205 -11.386 0.154 -1.099 1.00 0.00 N ATOM 273 CA SER A 205 -12.581 0.096 -0.247 1.00 0.00 C ATOM 274 C SER A 205 -12.997 -1.344 0.115 1.00 0.00 C ATOM 275 O SER A 205 -14.109 -1.781 -0.180 1.00 0.00 O ATOM 276 CB SER A 205 -13.719 0.958 -0.817 1.00 0.00 C ATOM 277 OG SER A 205 -13.309 2.306 -0.934 1.00 0.00 O ATOM 0 H SER A 205 -10.589 0.564 -0.611 1.00 0.00 H new ATOM 0 HA SER A 205 -12.318 0.543 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 205 -14.018 0.577 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.593 0.893 -0.168 1.00 0.00 H new ATOM 0 HG SER A 205 -14.044 2.841 -1.300 1.00 0.00 H new ATOM 283 N TYR A 206 -12.065 -2.077 0.744 1.00 0.00 N ATOM 284 CA TYR A 206 -12.167 -3.478 1.155 1.00 0.00 C ATOM 285 C TYR A 206 -11.130 -3.695 2.266 1.00 0.00 C ATOM 286 O TYR A 206 -9.921 -3.651 2.027 1.00 0.00 O ATOM 287 CB TYR A 206 -11.963 -4.458 -0.028 1.00 0.00 C ATOM 288 CG TYR A 206 -10.575 -4.508 -0.665 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.943 -3.312 -1.039 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.882 -5.727 -0.842 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.622 -3.309 -1.466 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.570 -5.736 -1.366 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.927 -4.510 -1.661 1.00 0.00 C ATOM 294 OH TYR A 206 -6.661 -4.416 -2.159 1.00 0.00 O ATOM 0 H TYR A 206 -11.161 -1.676 0.994 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.172 -3.688 1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.212 -5.461 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.682 -4.202 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.491 -2.382 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.359 -6.658 -0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.124 -2.369 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.061 -6.672 -1.540 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.278 -5.313 -2.251 1.00 0.00 H new ATOM 304 N GLY A 207 -11.607 -3.877 3.503 1.00 0.00 N ATOM 305 CA GLY A 207 -10.775 -3.860 4.683 1.00 0.00 C ATOM 306 C GLY A 207 -10.182 -2.471 4.907 1.00 0.00 C ATOM 307 O GLY A 207 -10.661 -1.452 4.407 1.00 0.00 O ATOM 0 H GLY A 207 -12.594 -4.041 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.363 -4.154 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -9.973 -4.591 4.579 1.00 0.00 H new ATOM 311 N GLU A 208 -9.111 -2.489 5.684 1.00 0.00 N ATOM 312 CA GLU A 208 -8.213 -1.366 5.949 1.00 0.00 C ATOM 313 C GLU A 208 -7.149 -1.203 4.847 1.00 0.00 C ATOM 314 O GLU A 208 -6.999 -2.053 3.968 1.00 0.00 O ATOM 315 CB GLU A 208 -7.598 -1.508 7.353 1.00 0.00 C ATOM 316 CG GLU A 208 -6.612 -2.670 7.534 1.00 0.00 C ATOM 317 CD GLU A 208 -7.260 -4.056 7.474 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.882 -4.440 8.488 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.139 -4.702 6.410 1.00 0.00 O ATOM 0 H GLU A 208 -8.825 -3.335 6.177 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.795 -0.444 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.085 -0.579 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.407 -1.627 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -5.846 -2.605 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.108 -2.558 8.494 1.00 0.00 H new ATOM 326 N MET A 209 -6.411 -0.085 4.908 1.00 0.00 N ATOM 327 CA MET A 209 -5.503 0.379 3.856 1.00 0.00 C ATOM 328 C MET A 209 -4.206 0.961 4.428 1.00 0.00 C ATOM 329 O MET A 209 -4.171 1.395 5.582 1.00 0.00 O ATOM 330 CB MET A 209 -6.222 1.462 3.023 1.00 0.00 C ATOM 331 CG MET A 209 -7.444 0.959 2.236 1.00 0.00 C ATOM 332 SD MET A 209 -9.058 1.147 3.041 1.00 0.00 S ATOM 333 CE MET A 209 -9.299 2.934 2.864 1.00 0.00 C ATOM 0 H MET A 209 -6.432 0.538 5.716 1.00 0.00 H new ATOM 0 HA MET A 209 -5.235 -0.478 3.238 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.541 2.263 3.690 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.509 1.896 2.322 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.475 1.485 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.295 -0.097 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.268 3.213 3.278 1.00 0.00 H new ATOM 0 HE2 MET A 209 -8.510 3.462 3.399 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.265 3.203 1.808 1.00 0.00 H new ATOM 343 N ILE A 210 -3.159 1.020 3.585 1.00 0.00 N ATOM 344 CA ILE A 210 -1.917 1.732 3.865 1.00 0.00 C ATOM 345 C ILE A 210 -1.567 2.586 2.635 1.00 0.00 C ATOM 346 O ILE A 210 -2.441 3.243 2.069 1.00 0.00 O ATOM 347 CB ILE A 210 -0.831 0.766 4.434 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.373 1.451 5.129 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.319 -0.343 3.495 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.015 2.358 6.303 1.00 0.00 C ATOM 0 H ILE A 210 -3.161 0.562 2.674 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.011 2.449 4.680 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.431 0.271 5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.057 0.682 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.917 2.042 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.430 -0.941 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.151 -0.981 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.127 0.108 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.884 2.799 6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.674 3.151 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.531 1.770 7.062 1.00 0.00 H new ATOM 362 N GLY A 211 -0.291 2.618 2.261 1.00 0.00 N ATOM 363 CA GLY A 211 0.298 3.513 1.286 1.00 0.00 C ATOM 364 C GLY A 211 1.732 3.873 1.627 1.00 0.00 C ATOM 365 O GLY A 211 2.055 4.150 2.782 1.00 0.00 O ATOM 0 H GLY A 211 0.396 1.978 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.267 3.045 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.298 4.423 1.225 1.00 0.00 H new ATOM 369 N CYS A 212 2.578 3.850 0.589 1.00 0.00 N ATOM 370 CA CYS A 212 4.009 4.119 0.738 1.00 0.00 C ATOM 371 C CYS A 212 4.220 5.573 1.165 1.00 0.00 C ATOM 372 O CYS A 212 3.745 6.489 0.493 1.00 0.00 O ATOM 373 CB CYS A 212 4.863 3.762 -0.502 1.00 0.00 C ATOM 374 SG CYS A 212 6.583 3.636 0.091 1.00 0.00 S ATOM 0 H CYS A 212 2.291 3.646 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 212 4.369 3.449 1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.533 2.822 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.771 4.527 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 212 7.381 3.476 -0.923 1.00 0.00 H new ATOM 379 N ASP A 213 4.985 5.765 2.253 1.00 0.00 N ATOM 380 CA ASP A 213 5.465 7.063 2.733 1.00 0.00 C ATOM 381 C ASP A 213 6.339 7.818 1.712 1.00 0.00 C ATOM 382 O ASP A 213 6.671 8.981 1.934 1.00 0.00 O ATOM 383 CB ASP A 213 6.270 6.836 4.017 1.00 0.00 C ATOM 384 CG ASP A 213 5.394 6.558 5.239 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.788 5.467 5.293 1.00 0.00 O ATOM 386 OD2 ASP A 213 5.375 7.441 6.124 1.00 0.00 O ATOM 0 H ASP A 213 5.295 4.990 2.840 1.00 0.00 H new ATOM 0 HA ASP A 213 4.589 7.687 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.950 5.997 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.885 7.714 4.212 1.00 0.00 H new ATOM 391 N ASP A 214 6.697 7.154 0.606 1.00 0.00 N ATOM 392 CA ASP A 214 7.326 7.680 -0.592 1.00 0.00 C ATOM 393 C ASP A 214 6.426 8.786 -1.163 1.00 0.00 C ATOM 394 O ASP A 214 5.337 8.471 -1.647 1.00 0.00 O ATOM 395 CB ASP A 214 7.442 6.446 -1.497 1.00 0.00 C ATOM 396 CG ASP A 214 7.784 6.619 -2.966 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.350 7.664 -3.344 1.00 0.00 O ATOM 398 OD2 ASP A 214 7.421 5.647 -3.678 1.00 0.00 O ATOM 0 H ASP A 214 6.536 6.150 0.529 1.00 0.00 H new ATOM 0 HA ASP A 214 8.303 8.142 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.198 5.793 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.492 5.913 -1.444 1.00 0.00 H new ATOM 403 N PRO A 215 6.836 10.071 -1.102 1.00 0.00 N ATOM 404 CA PRO A 215 6.015 11.200 -1.538 1.00 0.00 C ATOM 405 C PRO A 215 6.006 11.374 -3.066 1.00 0.00 C ATOM 406 O PRO A 215 5.506 12.377 -3.573 1.00 0.00 O ATOM 407 CB PRO A 215 6.618 12.411 -0.821 1.00 0.00 C ATOM 408 CG PRO A 215 8.108 12.074 -0.807 1.00 0.00 C ATOM 409 CD PRO A 215 8.115 10.558 -0.599 1.00 0.00 C ATOM 0 HA PRO A 215 4.964 11.054 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 215 6.417 13.340 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 215 6.218 12.528 0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.594 12.356 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 215 8.632 12.594 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.945 10.096 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 215 8.238 10.311 0.455 1.00 0.00 H new ATOM 417 N ASP A 216 6.535 10.377 -3.784 1.00 0.00 N ATOM 418 CA ASP A 216 6.528 10.263 -5.231 1.00 0.00 C ATOM 419 C ASP A 216 6.002 8.875 -5.637 1.00 0.00 C ATOM 420 O ASP A 216 6.079 8.521 -6.814 1.00 0.00 O ATOM 421 CB ASP A 216 7.946 10.562 -5.751 1.00 0.00 C ATOM 422 CG ASP A 216 8.010 10.734 -7.271 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.307 11.636 -7.776 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.775 9.971 -7.903 1.00 0.00 O ATOM 0 H ASP A 216 7.004 9.588 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 216 5.854 10.989 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.317 11.469 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.612 9.751 -5.456 1.00 0.00 H new ATOM 429 N CYS A 217 5.454 8.086 -4.686 1.00 0.00 N ATOM 430 CA CYS A 217 4.844 6.800 -4.983 1.00 0.00 C ATOM 431 C CYS A 217 3.744 6.927 -6.041 1.00 0.00 C ATOM 432 O CYS A 217 2.719 7.578 -5.836 1.00 0.00 O ATOM 433 CB CYS A 217 4.309 6.188 -3.693 1.00 0.00 C ATOM 434 SG CYS A 217 3.840 4.459 -3.960 1.00 0.00 S ATOM 0 H CYS A 217 5.429 8.335 -3.697 1.00 0.00 H new ATOM 0 HA CYS A 217 5.602 6.139 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.067 6.249 -2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.446 6.756 -3.344 1.00 0.00 H new ATOM 0 HG CYS A 217 4.678 3.682 -3.340 1.00 0.00 H new ATOM 440 N SER A 218 3.995 6.251 -7.163 1.00 0.00 N ATOM 441 CA SER A 218 3.148 6.179 -8.355 1.00 0.00 C ATOM 442 C SER A 218 1.911 5.285 -8.168 1.00 0.00 C ATOM 443 O SER A 218 1.134 5.105 -9.105 1.00 0.00 O ATOM 444 CB SER A 218 4.000 5.683 -9.531 1.00 0.00 C ATOM 445 OG SER A 218 4.518 4.389 -9.284 1.00 0.00 O ATOM 0 H SER A 218 4.849 5.704 -7.271 1.00 0.00 H new ATOM 0 HA SER A 218 2.763 7.179 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 218 3.396 5.668 -10.439 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.821 6.378 -9.706 1.00 0.00 H new ATOM 0 HG SER A 218 5.055 4.100 -10.051 1.00 0.00 H new ATOM 451 N ILE A 219 1.741 4.730 -6.961 1.00 0.00 N ATOM 452 CA ILE A 219 0.688 3.799 -6.579 1.00 0.00 C ATOM 453 C ILE A 219 -0.074 4.374 -5.372 1.00 0.00 C ATOM 454 O ILE A 219 -1.295 4.265 -5.308 1.00 0.00 O ATOM 455 CB ILE A 219 1.344 2.434 -6.271 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.158 1.819 -7.433 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.289 1.440 -5.779 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.335 1.412 -8.661 1.00 0.00 C ATOM 0 H ILE A 219 2.373 4.934 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.037 3.655 -7.380 1.00 0.00 H new ATOM 0 HB ILE A 219 2.075 2.638 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 219 2.916 2.538 -7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.685 0.941 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.763 0.482 -5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.178 1.824 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.471 1.305 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.996 0.992 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.594 0.666 -8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.829 2.288 -9.066 1.00 0.00 H new ATOM 470 N GLU A 220 0.652 5.044 -4.464 1.00 0.00 N ATOM 471 CA GLU A 220 0.173 5.871 -3.349 1.00 0.00 C ATOM 472 C GLU A 220 -0.450 5.093 -2.177 1.00 0.00 C ATOM 473 O GLU A 220 -0.320 5.535 -1.038 1.00 0.00 O ATOM 474 CB GLU A 220 -0.680 7.051 -3.885 1.00 0.00 C ATOM 475 CG GLU A 220 -2.163 7.113 -3.475 1.00 0.00 C ATOM 476 CD GLU A 220 -2.401 7.617 -2.045 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.779 8.638 -1.676 1.00 0.00 O ATOM 478 OE2 GLU A 220 -3.226 6.989 -1.347 1.00 0.00 O ATOM 0 H GLU A 220 1.671 5.018 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 220 1.052 6.302 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 220 -0.206 7.979 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.635 7.029 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.693 7.764 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.598 6.118 -3.574 1.00 0.00 H new ATOM 485 N TRP A 221 -1.067 3.933 -2.435 1.00 0.00 N ATOM 486 CA TRP A 221 -1.792 3.120 -1.464 1.00 0.00 C ATOM 487 C TRP A 221 -1.581 1.635 -1.783 1.00 0.00 C ATOM 488 O TRP A 221 -1.442 1.237 -2.938 1.00 0.00 O ATOM 489 CB TRP A 221 -3.271 3.516 -1.446 1.00 0.00 C ATOM 490 CG TRP A 221 -4.178 2.526 -2.056 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.563 2.495 -3.340 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.718 1.341 -1.427 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.240 1.319 -3.575 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.371 0.566 -2.423 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.663 0.831 -0.118 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.963 -0.667 -2.121 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.283 -0.388 0.190 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.916 -1.145 -0.802 1.00 0.00 C ATOM 0 H TRP A 221 -1.072 3.522 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.406 3.298 -0.460 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.577 3.682 -0.413 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.386 4.466 -1.969 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.373 3.267 -4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.600 1.038 -4.487 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.142 1.380 0.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.450 -1.243 -2.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.272 -0.748 1.208 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.367 -2.094 -0.554 1.00 0.00 H new ATOM 509 N PHE A 222 -1.612 0.810 -0.737 1.00 0.00 N ATOM 510 CA PHE A 222 -1.436 -0.637 -0.825 1.00 0.00 C ATOM 511 C PHE A 222 -2.262 -1.275 0.269 1.00 0.00 C ATOM 512 O PHE A 222 -2.462 -0.699 1.336 1.00 0.00 O ATOM 513 CB PHE A 222 0.029 -1.043 -0.611 1.00 0.00 C ATOM 514 CG PHE A 222 0.976 -0.506 -1.654 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.473 0.801 -1.518 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.332 -1.286 -2.770 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.275 1.358 -2.518 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.175 -0.744 -3.754 1.00 0.00 C ATOM 519 CZ PHE A 222 2.632 0.579 -3.629 1.00 0.00 C ATOM 0 H PHE A 222 -1.764 1.138 0.217 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.745 -0.964 -1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.351 -0.695 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.095 -2.131 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.234 1.378 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.959 -2.295 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.617 2.379 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.471 -1.342 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.265 1.001 -4.396 1.00 0.00 H new ATOM 529 N HIS A 223 -2.732 -2.486 -0.002 1.00 0.00 N ATOM 530 CA HIS A 223 -3.506 -3.250 0.954 1.00 0.00 C ATOM 531 C HIS A 223 -2.620 -3.783 2.084 1.00 0.00 C ATOM 532 O HIS A 223 -1.446 -4.096 1.887 1.00 0.00 O ATOM 533 CB HIS A 223 -4.181 -4.360 0.156 1.00 0.00 C ATOM 534 CG HIS A 223 -5.321 -5.091 0.793 1.00 0.00 C ATOM 535 ND1 HIS A 223 -6.193 -4.613 1.729 1.00 0.00 N flip ATOM 536 CD2 HIS A 223 -5.707 -6.368 0.397 1.00 0.00 C flip ATOM 537 CE1 HIS A 223 -7.102 -5.617 1.948 1.00 0.00 C flip ATOM 538 NE2 HIS A 223 -6.784 -6.652 1.150 1.00 0.00 N flip ATOM 0 H HIS A 223 -2.585 -2.962 -0.892 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.256 -2.636 1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.542 -3.928 -0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.419 -5.094 -0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -5.243 -6.994 -0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.930 -5.582 2.641 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.293 -7.536 1.120 1.00 0.00 H new ATOM 546 N PHE A 224 -3.230 -3.925 3.262 1.00 0.00 N ATOM 547 CA PHE A 224 -2.691 -4.646 4.421 1.00 0.00 C ATOM 548 C PHE A 224 -2.394 -6.133 4.136 1.00 0.00 C ATOM 549 O PHE A 224 -1.828 -6.799 5.000 1.00 0.00 O ATOM 550 CB PHE A 224 -3.682 -4.527 5.595 1.00 0.00 C ATOM 551 CG PHE A 224 -3.358 -3.485 6.651 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.002 -2.168 6.293 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.529 -3.813 8.010 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.827 -1.192 7.291 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.380 -2.828 9.001 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.026 -1.519 8.642 1.00 0.00 C ATOM 0 H PHE A 224 -4.151 -3.525 3.444 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.735 -4.184 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.668 -4.305 5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.750 -5.499 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.864 -1.909 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.776 -4.826 8.292 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.539 -0.188 7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.538 -3.079 10.039 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.907 -0.763 9.404 1.00 0.00 H new ATOM 566 N ALA A 225 -2.731 -6.644 2.941 1.00 0.00 N ATOM 567 CA ALA A 225 -2.361 -7.963 2.460 1.00 0.00 C ATOM 568 C ALA A 225 -1.584 -7.913 1.132 1.00 0.00 C ATOM 569 O ALA A 225 -1.098 -8.951 0.688 1.00 0.00 O ATOM 570 CB ALA A 225 -3.607 -8.850 2.376 1.00 0.00 C ATOM 0 H ALA A 225 -3.290 -6.121 2.266 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.671 -8.406 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.326 -9.839 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.057 -8.939 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.326 -8.404 1.689 1.00 0.00 H new ATOM 576 N CYS A 226 -1.406 -6.723 0.523 1.00 0.00 N ATOM 577 CA CYS A 226 -0.466 -6.514 -0.578 1.00 0.00 C ATOM 578 C CYS A 226 0.996 -6.529 -0.080 1.00 0.00 C ATOM 579 O CYS A 226 1.918 -6.476 -0.893 1.00 0.00 O ATOM 580 CB CYS A 226 -0.777 -5.199 -1.279 1.00 0.00 C ATOM 581 SG CYS A 226 -2.126 -5.381 -2.480 1.00 0.00 S ATOM 0 H CYS A 226 -1.917 -5.881 0.788 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.581 -7.334 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.048 -4.447 -0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.117 -4.837 -1.788 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.014 -4.453 -2.279 1.00 0.00 H new ATOM 587 N VAL A 227 1.198 -6.612 1.244 1.00 0.00 N ATOM 588 CA VAL A 227 2.491 -6.693 1.923 1.00 0.00 C ATOM 589 C VAL A 227 2.484 -7.745 3.053 1.00 0.00 C ATOM 590 O VAL A 227 3.520 -8.013 3.657 1.00 0.00 O ATOM 591 CB VAL A 227 2.866 -5.278 2.411 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.927 -4.805 3.533 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.336 -5.164 2.850 1.00 0.00 C ATOM 0 H VAL A 227 0.418 -6.625 1.901 1.00 0.00 H new ATOM 0 HA VAL A 227 3.258 -7.039 1.229 1.00 0.00 H new ATOM 0 HB VAL A 227 2.741 -4.620 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.219 -3.805 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.902 -4.783 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.994 -5.491 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.539 -4.146 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.526 -5.858 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.987 -5.408 2.010 1.00 0.00 H new ATOM 603 N GLY A 228 1.318 -8.343 3.330 1.00 0.00 N ATOM 604 CA GLY A 228 1.105 -9.290 4.423 1.00 0.00 C ATOM 605 C GLY A 228 1.259 -8.651 5.809 1.00 0.00 C ATOM 606 O GLY A 228 1.801 -9.293 6.708 1.00 0.00 O ATOM 0 H GLY A 228 0.475 -8.174 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 228 0.107 -9.718 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.814 -10.112 4.327 1.00 0.00 H new ATOM 610 N LEU A 229 0.837 -7.385 5.966 1.00 0.00 N ATOM 611 CA LEU A 229 0.983 -6.622 7.207 1.00 0.00 C ATOM 612 C LEU A 229 0.116 -7.208 8.325 1.00 0.00 C ATOM 613 O LEU A 229 0.631 -7.487 9.406 1.00 0.00 O ATOM 614 CB LEU A 229 0.594 -5.139 6.986 1.00 0.00 C ATOM 615 CG LEU A 229 1.759 -4.131 7.048 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.189 -2.735 6.752 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.497 -4.110 8.396 1.00 0.00 C ATOM 0 H LEU A 229 0.379 -6.860 5.221 1.00 0.00 H new ATOM 0 HA LEU A 229 2.030 -6.683 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.110 -5.049 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.145 -4.860 7.737 1.00 0.00 H new ATOM 0 HG LEU A 229 2.500 -4.438 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.992 -1.999 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.737 -2.729 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.433 -2.485 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.302 -3.376 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.799 -3.843 9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.915 -5.096 8.598 1.00 0.00 H new ATOM 746 N TRP A 237 6.439 3.364 6.631 1.00 0.00 N ATOM 747 CA TRP A 237 6.191 2.120 5.917 1.00 0.00 C ATOM 748 C TRP A 237 6.589 2.288 4.447 1.00 0.00 C ATOM 749 O TRP A 237 6.599 3.400 3.916 1.00 0.00 O ATOM 750 CB TRP A 237 4.718 1.740 6.069 1.00 0.00 C ATOM 751 CG TRP A 237 4.293 0.480 5.370 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.339 -0.774 5.873 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.835 0.324 3.992 1.00 0.00 C ATOM 754 NE1 TRP A 237 3.930 -1.681 4.915 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.620 -1.059 3.724 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.649 1.218 2.920 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.213 -1.518 2.460 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.287 0.764 1.637 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.040 -0.599 1.418 1.00 0.00 C ATOM 0 HA TRP A 237 6.793 1.312 6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.497 1.636 7.131 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.109 2.563 5.695 1.00 0.00 H new ATOM 0 HD1 TRP A 237 4.650 -1.029 6.875 1.00 0.00 H new ATOM 0 HE1 TRP A 237 3.865 -2.687 5.070 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.787 2.276 3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.035 -2.570 2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 3.200 1.466 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.716 -0.940 0.446 1.00 0.00 H new ATOM 770 N PHE A 238 6.899 1.167 3.784 1.00 0.00 N ATOM 771 CA PHE A 238 7.372 1.147 2.409 1.00 0.00 C ATOM 772 C PHE A 238 6.712 0.003 1.639 1.00 0.00 C ATOM 773 O PHE A 238 6.603 -1.109 2.160 1.00 0.00 O ATOM 774 CB PHE A 238 8.899 0.996 2.400 1.00 0.00 C ATOM 775 CG PHE A 238 9.640 2.147 3.057 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.771 3.379 2.386 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.175 1.999 4.352 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.446 4.449 2.999 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.850 3.070 4.964 1.00 0.00 C ATOM 780 CZ PHE A 238 10.990 4.292 4.285 1.00 0.00 C ATOM 0 H PHE A 238 6.825 0.239 4.201 1.00 0.00 H new ATOM 0 HA PHE A 238 7.104 2.083 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.165 0.069 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.238 0.902 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.352 3.502 1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 238 10.066 1.061 4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.546 5.392 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.261 2.953 5.956 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.516 5.111 4.752 1.00 0.00 H new ATOM 790 N CYS A 239 6.308 0.264 0.384 1.00 0.00 N ATOM 791 CA CYS A 239 5.804 -0.750 -0.528 1.00 0.00 C ATOM 792 C CYS A 239 6.882 -1.790 -0.870 1.00 0.00 C ATOM 793 O CYS A 239 8.062 -1.516 -0.654 1.00 0.00 O ATOM 794 CB CYS A 239 5.211 -0.025 -1.742 1.00 0.00 C ATOM 795 SG CYS A 239 6.409 0.897 -2.744 1.00 0.00 S ATOM 0 H CYS A 239 6.327 1.200 -0.021 1.00 0.00 H new ATOM 0 HA CYS A 239 5.013 -1.340 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.716 -0.759 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.443 0.666 -1.394 1.00 0.00 H new ATOM 0 HG CYS A 239 5.807 1.413 -3.774 1.00 0.00 H new ATOM 801 N PRO A 240 6.514 -2.977 -1.400 1.00 0.00 N ATOM 802 CA PRO A 240 7.453 -4.051 -1.738 1.00 0.00 C ATOM 803 C PRO A 240 8.324 -3.744 -2.979 1.00 0.00 C ATOM 804 O PRO A 240 8.754 -4.663 -3.677 1.00 0.00 O ATOM 805 CB PRO A 240 6.584 -5.311 -1.881 1.00 0.00 C ATOM 806 CG PRO A 240 5.240 -4.763 -2.345 1.00 0.00 C ATOM 807 CD PRO A 240 5.142 -3.444 -1.585 1.00 0.00 C ATOM 0 HA PRO A 240 8.205 -4.181 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.005 -6.009 -2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.495 -5.847 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.214 -4.613 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.420 -5.436 -2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.555 -2.715 -2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.646 -3.584 -0.625 1.00 0.00 H new ATOM 815 N ARG A 241 8.603 -2.457 -3.245 1.00 0.00 N ATOM 816 CA ARG A 241 9.510 -1.977 -4.283 1.00 0.00 C ATOM 817 C ARG A 241 10.434 -0.899 -3.704 1.00 0.00 C ATOM 818 O ARG A 241 11.622 -0.878 -4.019 1.00 0.00 O ATOM 819 CB ARG A 241 8.712 -1.440 -5.485 1.00 0.00 C ATOM 820 CG ARG A 241 7.826 -2.514 -6.144 1.00 0.00 C ATOM 821 CD ARG A 241 7.060 -1.983 -7.361 1.00 0.00 C ATOM 822 NE ARG A 241 7.953 -1.685 -8.491 1.00 0.00 N ATOM 823 CZ ARG A 241 7.558 -1.326 -9.721 1.00 0.00 C ATOM 824 NH1 ARG A 241 6.266 -1.189 -10.031 1.00 0.00 N ATOM 825 NH2 ARG A 241 8.473 -1.099 -10.663 1.00 0.00 N ATOM 0 H ARG A 241 8.180 -1.695 -2.715 1.00 0.00 H new ATOM 0 HA ARG A 241 10.125 -2.805 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 241 8.086 -0.610 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 241 9.405 -1.043 -6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.448 -3.355 -6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 241 7.115 -2.894 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.318 -2.719 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.517 -1.080 -7.081 1.00 0.00 H new ATOM 0 HE ARG A 241 8.957 -1.758 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.551 -1.359 -9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.994 -0.915 -10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 241 9.465 -1.199 -10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 241 8.182 -0.826 -11.602 1.00 0.00 H new ATOM 839 N CYS A 242 9.904 -0.058 -2.804 1.00 0.00 N ATOM 840 CA CYS A 242 10.630 0.882 -1.978 1.00 0.00 C ATOM 841 C CYS A 242 11.430 0.174 -0.873 1.00 0.00 C ATOM 842 O CYS A 242 12.534 0.604 -0.545 1.00 0.00 O ATOM 843 CB CYS A 242 9.562 1.770 -1.353 1.00 0.00 C ATOM 844 SG CYS A 242 9.193 3.182 -2.424 1.00 0.00 S ATOM 0 H CYS A 242 8.899 -0.024 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 242 11.354 1.441 -2.570 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.655 1.190 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.901 2.125 -0.380 1.00 0.00 H new ATOM 0 HG CYS A 242 8.068 2.975 -3.042 1.00 0.00 H new