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 10:sc= -1.32 USER MOD Set 1.2: A 217 CYS SG : rot 150:sc= 0.116 USER MOD Set 1.3: A 239 CYS SG : rot 180:sc= -0.307 USER MOD Set 1.4: A 242 CYS SG : rot 100:sc= 0.169 USER MOD Set 2.1: A 199 CYS SG : rot -164:sc= -0.804 USER MOD Set 2.2: A 201 CYS SG : rot 79:sc= 1.36 USER MOD Set 2.3: A 206 TYR OH : rot 175:sc= 0.111 USER MOD Set 2.4: A 223 HIS :FLIP no HD1:sc= -0.132 F(o=-0.089,f=0.65) USER MOD Set 2.5: A 226 CYS SG : rot -36:sc= 0.112 USER MOD Single : A 197 THR OG1 : rot -28:sc= 0.0647 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.24) USER MOD Single : A 203 GLN : amide:sc= 0.314 X(o=0.31,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=-0.00254) USER MOD Single : A 218 SER OG : rot -46:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -7.815 2.760 -8.940 1.00 0.00 N ATOM 149 CA THR A 197 -7.173 1.483 -8.622 1.00 0.00 C ATOM 150 C THR A 197 -5.652 1.680 -8.627 1.00 0.00 C ATOM 151 O THR A 197 -5.150 2.402 -9.492 1.00 0.00 O ATOM 152 CB THR A 197 -7.550 0.431 -9.684 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.164 0.838 -10.983 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.046 0.098 -9.717 1.00 0.00 C ATOM 0 HA THR A 197 -7.506 1.140 -7.642 1.00 0.00 H new ATOM 0 HB THR A 197 -7.005 -0.464 -9.386 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.152 1.817 -11.029 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.236 -0.649 -10.488 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.353 -0.295 -8.748 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.615 1.001 -9.939 1.00 0.00 H new ATOM 162 N TYR A 198 -4.913 1.044 -7.695 1.00 0.00 N ATOM 163 CA TYR A 198 -3.460 1.280 -7.599 1.00 0.00 C ATOM 164 C TYR A 198 -2.664 0.135 -6.963 1.00 0.00 C ATOM 165 O TYR A 198 -1.607 -0.196 -7.499 1.00 0.00 O ATOM 166 CB TYR A 198 -3.136 2.549 -6.802 1.00 0.00 C ATOM 167 CG TYR A 198 -3.930 3.814 -7.081 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.166 4.030 -6.440 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.408 4.802 -7.939 1.00 0.00 C ATOM 170 CE1 TYR A 198 -5.863 5.233 -6.625 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.115 5.999 -8.154 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.345 6.222 -7.491 1.00 0.00 C ATOM 173 OH TYR A 198 -6.030 7.385 -7.685 1.00 0.00 O ATOM 0 H TYR A 198 -5.286 0.381 -7.016 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.155 1.375 -8.641 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.253 2.313 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.083 2.779 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.580 3.264 -5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.462 4.640 -8.433 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -6.795 5.403 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.719 6.747 -8.825 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.535 7.956 -8.309 1.00 0.00 H new ATOM 183 N CYS A 199 -3.137 -0.454 -5.845 1.00 0.00 N ATOM 184 CA CYS A 199 -2.640 -1.688 -5.241 1.00 0.00 C ATOM 185 C CYS A 199 -2.247 -2.766 -6.249 1.00 0.00 C ATOM 186 O CYS A 199 -2.628 -2.761 -7.421 1.00 0.00 O ATOM 187 CB CYS A 199 -3.771 -2.313 -4.400 1.00 0.00 C ATOM 188 SG CYS A 199 -5.343 -2.203 -5.200 1.00 0.00 S ATOM 0 H CYS A 199 -3.915 -0.054 -5.320 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.757 -1.400 -4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.538 -3.360 -4.204 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.822 -1.811 -3.434 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.287 -2.426 -4.335 1.00 0.00 H new ATOM 193 N LEU A 200 -1.600 -3.794 -5.700 1.00 0.00 N ATOM 194 CA LEU A 200 -1.349 -5.037 -6.411 1.00 0.00 C ATOM 195 C LEU A 200 -2.658 -5.817 -6.589 1.00 0.00 C ATOM 196 O LEU A 200 -2.661 -6.835 -7.280 1.00 0.00 O ATOM 197 CB LEU A 200 -0.308 -5.898 -5.668 1.00 0.00 C ATOM 198 CG LEU A 200 0.838 -5.117 -4.997 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.740 -6.081 -4.218 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.687 -4.322 -6.003 1.00 0.00 C ATOM 0 H LEU A 200 -1.236 -3.783 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 200 -0.946 -4.793 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.823 -6.482 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.123 -6.607 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 200 0.377 -4.397 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.548 -5.522 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.154 -6.589 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.160 -6.819 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.478 -3.792 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.130 -5.007 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.055 -3.603 -6.524 1.00 0.00 H new ATOM 212 N CYS A 201 -3.765 -5.343 -5.982 1.00 0.00 N ATOM 213 CA CYS A 201 -5.075 -5.911 -6.158 1.00 0.00 C ATOM 214 C CYS A 201 -5.887 -5.155 -7.220 1.00 0.00 C ATOM 215 O CYS A 201 -6.917 -5.663 -7.659 1.00 0.00 O ATOM 216 CB CYS A 201 -5.755 -5.797 -4.805 1.00 0.00 C ATOM 217 SG CYS A 201 -4.999 -6.866 -3.552 1.00 0.00 S ATOM 0 H CYS A 201 -3.751 -4.542 -5.350 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.004 -6.943 -6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.712 -4.762 -4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.809 -6.055 -4.909 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.912 -6.310 -3.106 1.00 0.00 H new ATOM 222 N HIS A 202 -5.420 -3.953 -7.601 1.00 0.00 N ATOM 223 CA HIS A 202 -6.074 -2.990 -8.488 1.00 0.00 C ATOM 224 C HIS A 202 -7.562 -2.782 -8.149 1.00 0.00 C ATOM 225 O HIS A 202 -8.430 -2.921 -9.009 1.00 0.00 O ATOM 226 CB HIS A 202 -5.750 -3.284 -9.966 1.00 0.00 C ATOM 227 CG HIS A 202 -6.148 -4.652 -10.464 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.407 -5.047 -10.854 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.327 -5.740 -10.599 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.340 -6.342 -11.206 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.089 -6.813 -11.070 1.00 0.00 N ATOM 0 H HIS A 202 -4.517 -3.612 -7.273 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.647 -2.004 -8.305 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.245 -2.535 -10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.677 -3.161 -10.115 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.270 -5.765 -10.379 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.180 -6.926 -11.552 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -5.763 -7.759 -11.269 1.00 0.00 H new ATOM 239 N GLN A 203 -7.846 -2.470 -6.872 1.00 0.00 N ATOM 240 CA GLN A 203 -9.179 -2.221 -6.329 1.00 0.00 C ATOM 241 C GLN A 203 -9.015 -1.648 -4.921 1.00 0.00 C ATOM 242 O GLN A 203 -8.154 -2.104 -4.179 1.00 0.00 O ATOM 243 CB GLN A 203 -10.030 -3.510 -6.297 1.00 0.00 C ATOM 244 CG GLN A 203 -9.471 -4.618 -5.388 1.00 0.00 C ATOM 245 CD GLN A 203 -10.139 -5.964 -5.656 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.108 -6.327 -4.996 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.621 -6.718 -6.625 1.00 0.00 N ATOM 0 H GLN A 203 -7.116 -2.382 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.706 -1.513 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.037 -3.258 -5.965 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.117 -3.899 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.396 -4.708 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.619 -4.341 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.815 -6.385 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.031 -7.628 -6.838 1.00 0.00 H new ATOM 256 N VAL A 204 -9.843 -0.666 -4.558 1.00 0.00 N ATOM 257 CA VAL A 204 -9.794 0.063 -3.274 1.00 0.00 C ATOM 258 C VAL A 204 -11.184 0.092 -2.598 1.00 0.00 C ATOM 259 O VAL A 204 -12.177 -0.323 -3.195 1.00 0.00 O ATOM 260 CB VAL A 204 -9.155 1.476 -3.434 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.465 1.944 -2.128 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.114 1.538 -4.566 1.00 0.00 C ATOM 0 H VAL A 204 -10.594 -0.340 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.134 -0.482 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 204 -9.987 2.136 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.032 2.933 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.200 1.989 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.677 1.240 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.704 2.546 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.310 0.832 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.590 1.280 -5.512 1.00 0.00 H new ATOM 272 N SER A 205 -11.238 0.562 -1.338 1.00 0.00 N ATOM 273 CA SER A 205 -12.409 0.580 -0.449 1.00 0.00 C ATOM 274 C SER A 205 -12.868 -0.831 -0.026 1.00 0.00 C ATOM 275 O SER A 205 -13.951 -1.286 -0.393 1.00 0.00 O ATOM 276 CB SER A 205 -13.522 1.473 -1.019 1.00 0.00 C ATOM 277 OG SER A 205 -14.477 1.774 -0.022 1.00 0.00 O ATOM 0 H SER A 205 -10.415 0.963 -0.889 1.00 0.00 H new ATOM 0 HA SER A 205 -12.107 1.043 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.092 2.396 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.007 0.970 -1.855 1.00 0.00 H new ATOM 0 HG SER A 205 -15.178 2.345 -0.402 1.00 0.00 H new ATOM 283 N TYR A 206 -12.001 -1.528 0.725 1.00 0.00 N ATOM 284 CA TYR A 206 -12.155 -2.913 1.172 1.00 0.00 C ATOM 285 C TYR A 206 -11.154 -3.172 2.310 1.00 0.00 C ATOM 286 O TYR A 206 -9.939 -3.144 2.098 1.00 0.00 O ATOM 287 CB TYR A 206 -11.970 -3.925 0.009 1.00 0.00 C ATOM 288 CG TYR A 206 -10.584 -4.049 -0.622 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.879 -2.894 -0.998 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.984 -5.311 -0.837 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.588 -2.980 -1.502 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.696 -5.406 -1.411 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.987 -4.227 -1.738 1.00 0.00 C ATOM 294 OH TYR A 206 -6.747 -4.225 -2.307 1.00 0.00 O ATOM 0 H TYR A 206 -11.128 -1.114 1.052 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.172 -3.060 1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.259 -4.910 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.673 -3.659 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.347 -1.926 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.514 -6.210 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.038 -2.075 -1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.256 -6.374 -1.599 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.403 -5.142 -2.346 1.00 0.00 H new ATOM 304 N GLY A 207 -11.665 -3.406 3.528 1.00 0.00 N ATOM 305 CA GLY A 207 -10.876 -3.608 4.722 1.00 0.00 C ATOM 306 C GLY A 207 -10.015 -2.399 5.072 1.00 0.00 C ATOM 307 O GLY A 207 -10.217 -1.273 4.616 1.00 0.00 O ATOM 0 H GLY A 207 -12.669 -3.459 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.540 -3.830 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.234 -4.478 4.585 1.00 0.00 H new ATOM 311 N GLU A 208 -9.044 -2.704 5.921 1.00 0.00 N ATOM 312 CA GLU A 208 -7.921 -1.849 6.291 1.00 0.00 C ATOM 313 C GLU A 208 -6.972 -1.643 5.095 1.00 0.00 C ATOM 314 O GLU A 208 -6.778 -2.536 4.269 1.00 0.00 O ATOM 315 CB GLU A 208 -7.210 -2.398 7.544 1.00 0.00 C ATOM 316 CG GLU A 208 -6.880 -3.903 7.552 1.00 0.00 C ATOM 317 CD GLU A 208 -8.075 -4.787 7.916 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.435 -4.800 9.114 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.616 -5.431 6.990 1.00 0.00 O ATOM 0 H GLU A 208 -9.016 -3.605 6.398 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.297 -0.861 6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.280 -1.846 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.835 -2.183 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.511 -4.191 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.073 -4.086 8.261 1.00 0.00 H new ATOM 326 N MET A 209 -6.391 -0.438 5.011 1.00 0.00 N ATOM 327 CA MET A 209 -5.654 0.090 3.856 1.00 0.00 C ATOM 328 C MET A 209 -4.514 0.993 4.335 1.00 0.00 C ATOM 329 O MET A 209 -4.608 1.582 5.414 1.00 0.00 O ATOM 330 CB MET A 209 -6.649 0.889 2.990 1.00 0.00 C ATOM 331 CG MET A 209 -7.742 -0.010 2.385 1.00 0.00 C ATOM 332 SD MET A 209 -8.827 0.765 1.163 1.00 0.00 S ATOM 333 CE MET A 209 -9.741 1.914 2.223 1.00 0.00 C ATOM 0 H MET A 209 -6.424 0.226 5.784 1.00 0.00 H new ATOM 0 HA MET A 209 -5.218 -0.721 3.273 1.00 0.00 H new ATOM 0 HB2 MET A 209 -7.114 1.666 3.597 1.00 0.00 H new ATOM 0 HB3 MET A 209 -6.108 1.392 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.260 -0.869 1.919 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.359 -0.393 3.198 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.469 2.461 1.624 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.259 1.356 3.003 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.046 2.618 2.681 1.00 0.00 H new ATOM 343 N ILE A 210 -3.441 1.105 3.533 1.00 0.00 N ATOM 344 CA ILE A 210 -2.233 1.827 3.910 1.00 0.00 C ATOM 345 C ILE A 210 -1.751 2.616 2.689 1.00 0.00 C ATOM 346 O ILE A 210 -2.548 3.261 2.011 1.00 0.00 O ATOM 347 CB ILE A 210 -1.221 0.860 4.607 1.00 0.00 C ATOM 348 CG1 ILE A 210 -0.067 1.536 5.389 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.663 -0.294 3.750 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.537 2.462 6.515 1.00 0.00 C ATOM 0 H ILE A 210 -3.396 0.692 2.602 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.400 2.581 4.679 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.895 0.411 5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.574 0.762 5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.544 2.110 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.026 -0.891 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.485 -0.923 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.135 0.115 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.329 2.896 7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.153 3.259 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.122 1.891 7.235 1.00 0.00 H new ATOM 362 N GLY A 211 -0.446 2.607 2.450 1.00 0.00 N ATOM 363 CA GLY A 211 0.244 3.433 1.492 1.00 0.00 C ATOM 364 C GLY A 211 1.688 3.682 1.879 1.00 0.00 C ATOM 365 O GLY A 211 1.992 4.023 3.020 1.00 0.00 O ATOM 0 H GLY A 211 0.187 1.985 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.210 2.955 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.274 4.387 1.399 1.00 0.00 H new ATOM 369 N CYS A 212 2.559 3.502 0.881 1.00 0.00 N ATOM 370 CA CYS A 212 3.986 3.769 0.982 1.00 0.00 C ATOM 371 C CYS A 212 4.180 5.263 1.246 1.00 0.00 C ATOM 372 O CYS A 212 3.705 6.097 0.476 1.00 0.00 O ATOM 373 CB CYS A 212 4.734 3.306 -0.279 1.00 0.00 C ATOM 374 SG CYS A 212 6.492 3.747 -0.148 1.00 0.00 S ATOM 0 H CYS A 212 2.279 3.159 -0.038 1.00 0.00 H new ATOM 0 HA CYS A 212 4.410 3.201 1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.628 2.228 -0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.298 3.771 -1.163 1.00 0.00 H new ATOM 0 HG CYS A 212 6.747 4.158 1.058 1.00 0.00 H new ATOM 379 N ASP A 213 4.891 5.572 2.337 1.00 0.00 N ATOM 380 CA ASP A 213 5.182 6.925 2.800 1.00 0.00 C ATOM 381 C ASP A 213 6.145 7.697 1.873 1.00 0.00 C ATOM 382 O ASP A 213 6.541 8.810 2.215 1.00 0.00 O ATOM 383 CB ASP A 213 5.699 6.861 4.246 1.00 0.00 C ATOM 384 CG ASP A 213 4.624 6.408 5.239 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.358 5.187 5.288 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.104 7.290 5.955 1.00 0.00 O ATOM 0 H ASP A 213 5.293 4.855 2.942 1.00 0.00 H new ATOM 0 HA ASP A 213 4.254 7.496 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.545 6.175 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.068 7.844 4.539 1.00 0.00 H new ATOM 391 N ASP A 214 6.533 7.124 0.721 1.00 0.00 N ATOM 392 CA ASP A 214 7.210 7.825 -0.361 1.00 0.00 C ATOM 393 C ASP A 214 6.150 8.684 -1.076 1.00 0.00 C ATOM 394 O ASP A 214 5.235 8.114 -1.676 1.00 0.00 O ATOM 395 CB ASP A 214 7.816 6.781 -1.314 1.00 0.00 C ATOM 396 CG ASP A 214 8.447 7.366 -2.580 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.852 8.548 -2.548 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.510 6.602 -3.568 1.00 0.00 O ATOM 0 H ASP A 214 6.376 6.136 0.521 1.00 0.00 H new ATOM 0 HA ASP A 214 8.015 8.464 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.574 6.213 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.036 6.077 -1.604 1.00 0.00 H new ATOM 403 N PRO A 215 6.241 10.030 -1.039 1.00 0.00 N ATOM 404 CA PRO A 215 5.269 10.920 -1.673 1.00 0.00 C ATOM 405 C PRO A 215 5.451 11.021 -3.198 1.00 0.00 C ATOM 406 O PRO A 215 4.794 11.841 -3.839 1.00 0.00 O ATOM 407 CB PRO A 215 5.471 12.270 -0.978 1.00 0.00 C ATOM 408 CG PRO A 215 6.977 12.282 -0.722 1.00 0.00 C ATOM 409 CD PRO A 215 7.274 10.822 -0.382 1.00 0.00 C ATOM 0 HA PRO A 215 4.252 10.544 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.159 13.103 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.900 12.340 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.534 12.615 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.243 12.950 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.265 10.535 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.259 10.663 0.696 1.00 0.00 H new ATOM 417 N ASP A 216 6.314 10.172 -3.768 1.00 0.00 N ATOM 418 CA ASP A 216 6.557 10.036 -5.198 1.00 0.00 C ATOM 419 C ASP A 216 6.328 8.579 -5.644 1.00 0.00 C ATOM 420 O ASP A 216 6.612 8.241 -6.793 1.00 0.00 O ATOM 421 CB ASP A 216 7.973 10.557 -5.508 1.00 0.00 C ATOM 422 CG ASP A 216 8.226 10.757 -7.005 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.474 11.551 -7.612 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.181 10.129 -7.515 1.00 0.00 O ATOM 0 H ASP A 216 6.886 9.534 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 216 5.851 10.637 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.127 11.504 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.707 9.855 -5.112 1.00 0.00 H new ATOM 429 N CYS A 217 5.786 7.718 -4.760 1.00 0.00 N ATOM 430 CA CYS A 217 5.379 6.368 -5.129 1.00 0.00 C ATOM 431 C CYS A 217 4.294 6.426 -6.213 1.00 0.00 C ATOM 432 O CYS A 217 3.293 7.129 -6.072 1.00 0.00 O ATOM 433 CB CYS A 217 4.869 5.635 -3.889 1.00 0.00 C ATOM 434 SG CYS A 217 4.514 3.899 -4.279 1.00 0.00 S ATOM 0 H CYS A 217 5.623 7.947 -3.779 1.00 0.00 H new ATOM 0 HA CYS A 217 6.234 5.824 -5.531 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.613 5.691 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.968 6.122 -3.516 1.00 0.00 H new ATOM 0 HG CYS A 217 4.706 3.169 -3.221 1.00 0.00 H new ATOM 440 N SER A 218 4.499 5.641 -7.276 1.00 0.00 N ATOM 441 CA SER A 218 3.656 5.583 -8.475 1.00 0.00 C ATOM 442 C SER A 218 2.307 4.864 -8.248 1.00 0.00 C ATOM 443 O SER A 218 1.537 4.677 -9.189 1.00 0.00 O ATOM 444 CB SER A 218 4.475 4.911 -9.588 1.00 0.00 C ATOM 445 OG SER A 218 3.903 5.136 -10.859 1.00 0.00 O ATOM 0 H SER A 218 5.292 5.001 -7.326 1.00 0.00 H new ATOM 0 HA SER A 218 3.380 6.599 -8.757 1.00 0.00 H new ATOM 0 HB2 SER A 218 5.495 5.296 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.536 3.839 -9.400 1.00 0.00 H new ATOM 0 HG SER A 218 2.937 4.977 -10.816 1.00 0.00 H new ATOM 451 N ILE A 219 2.025 4.456 -7.002 1.00 0.00 N ATOM 452 CA ILE A 219 0.858 3.678 -6.590 1.00 0.00 C ATOM 453 C ILE A 219 0.220 4.307 -5.336 1.00 0.00 C ATOM 454 O ILE A 219 -1.004 4.322 -5.232 1.00 0.00 O ATOM 455 CB ILE A 219 1.296 2.200 -6.403 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.426 1.503 -7.778 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.347 1.440 -5.465 1.00 0.00 C ATOM 458 CD1 ILE A 219 2.002 0.081 -7.724 1.00 0.00 C ATOM 0 H ILE A 219 2.639 4.673 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 219 0.079 3.691 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 219 2.275 2.192 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.442 1.464 -8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.060 2.113 -8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.687 0.410 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.339 1.921 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.660 1.449 -5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 219 2.056 -0.328 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 219 3.001 0.109 -7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.358 -0.549 -7.111 1.00 0.00 H new ATOM 470 N GLU A 220 1.039 4.879 -4.438 1.00 0.00 N ATOM 471 CA GLU A 220 0.665 5.705 -3.280 1.00 0.00 C ATOM 472 C GLU A 220 0.009 4.945 -2.109 1.00 0.00 C ATOM 473 O GLU A 220 0.348 5.223 -0.963 1.00 0.00 O ATOM 474 CB GLU A 220 -0.112 6.963 -3.749 1.00 0.00 C ATOM 475 CG GLU A 220 -1.565 7.134 -3.269 1.00 0.00 C ATOM 476 CD GLU A 220 -1.679 7.583 -1.806 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.050 8.608 -1.467 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.412 6.908 -1.051 1.00 0.00 O ATOM 0 H GLU A 220 2.051 4.768 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 220 1.595 6.042 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.450 7.841 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.118 6.965 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.065 7.864 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.093 6.189 -3.393 1.00 0.00 H new ATOM 485 N TRP A 221 -0.867 3.970 -2.389 1.00 0.00 N ATOM 486 CA TRP A 221 -1.678 3.216 -1.433 1.00 0.00 C ATOM 487 C TRP A 221 -1.522 1.724 -1.739 1.00 0.00 C ATOM 488 O TRP A 221 -1.358 1.316 -2.889 1.00 0.00 O ATOM 489 CB TRP A 221 -3.136 3.682 -1.478 1.00 0.00 C ATOM 490 CG TRP A 221 -4.059 2.725 -2.107 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.375 2.689 -3.408 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.649 1.557 -1.492 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.077 1.530 -3.662 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.254 0.778 -2.514 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.647 1.052 -0.178 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.847 -0.461 -2.233 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.243 -0.184 0.101 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.826 -0.947 -0.916 1.00 0.00 C ATOM 0 H TRP A 221 -1.036 3.671 -3.350 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.336 3.395 -0.414 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.474 3.879 -0.461 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.187 4.627 -2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.122 3.444 -4.138 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.423 1.260 -4.583 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.185 1.619 0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.314 -1.034 -3.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.253 -0.553 1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.260 -1.909 -0.688 1.00 0.00 H new ATOM 509 N PHE A 222 -1.608 0.903 -0.693 1.00 0.00 N ATOM 510 CA PHE A 222 -1.389 -0.534 -0.773 1.00 0.00 C ATOM 511 C PHE A 222 -2.268 -1.186 0.266 1.00 0.00 C ATOM 512 O PHE A 222 -2.497 -0.637 1.341 1.00 0.00 O ATOM 513 CB PHE A 222 0.074 -0.886 -0.465 1.00 0.00 C ATOM 514 CG PHE A 222 1.049 -0.443 -1.531 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.506 0.887 -1.543 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.455 -1.338 -2.539 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.333 1.341 -2.576 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.315 -0.896 -3.555 1.00 0.00 C ATOM 519 CZ PHE A 222 2.749 0.442 -3.571 1.00 0.00 C ATOM 0 H PHE A 222 -1.836 1.226 0.247 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.623 -0.881 -1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.355 -0.428 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.158 -1.965 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.217 1.561 -0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.106 -2.360 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.649 2.373 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.643 -1.581 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.409 0.781 -4.356 1.00 0.00 H new ATOM 529 N HIS A 223 -2.756 -2.375 -0.067 1.00 0.00 N ATOM 530 CA HIS A 223 -3.582 -3.141 0.839 1.00 0.00 C ATOM 531 C HIS A 223 -2.745 -3.697 1.992 1.00 0.00 C ATOM 532 O HIS A 223 -1.566 -4.017 1.840 1.00 0.00 O ATOM 533 CB HIS A 223 -4.248 -4.232 0.010 1.00 0.00 C ATOM 534 CG HIS A 223 -5.401 -4.962 0.626 1.00 0.00 C ATOM 535 ND1 HIS A 223 -6.298 -4.473 1.532 1.00 0.00 N flip ATOM 536 CD2 HIS A 223 -5.764 -6.252 0.252 1.00 0.00 C flip ATOM 537 CE1 HIS A 223 -7.200 -5.483 1.757 1.00 0.00 C flip ATOM 538 NE2 HIS A 223 -6.853 -6.532 0.989 1.00 0.00 N flip ATOM 0 H HIS A 223 -2.588 -2.826 -0.966 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.348 -2.523 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.593 -3.783 -0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.487 -4.966 -0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -5.277 -6.889 -0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -8.042 -5.443 2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.351 -7.422 0.969 1.00 0.00 H new ATOM 546 N PHE A 224 -3.403 -3.846 3.141 1.00 0.00 N ATOM 547 CA PHE A 224 -2.897 -4.580 4.304 1.00 0.00 C ATOM 548 C PHE A 224 -2.612 -6.065 4.013 1.00 0.00 C ATOM 549 O PHE A 224 -2.041 -6.734 4.870 1.00 0.00 O ATOM 550 CB PHE A 224 -3.903 -4.456 5.461 1.00 0.00 C ATOM 551 CG PHE A 224 -3.572 -3.415 6.514 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.543 -2.046 6.188 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.361 -3.815 7.849 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.330 -1.087 7.197 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.150 -2.856 8.852 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.138 -1.490 8.527 1.00 0.00 C ATOM 0 H PHE A 224 -4.330 -3.449 3.295 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.941 -4.131 4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.882 -4.224 5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.987 -5.426 5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.684 -1.731 5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.362 -4.865 8.102 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -3.314 -0.037 6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.997 -3.169 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.981 -0.751 9.299 1.00 0.00 H new ATOM 566 N ALA A 225 -2.950 -6.577 2.821 1.00 0.00 N ATOM 567 CA ALA A 225 -2.568 -7.901 2.356 1.00 0.00 C ATOM 568 C ALA A 225 -1.768 -7.858 1.044 1.00 0.00 C ATOM 569 O ALA A 225 -1.344 -8.911 0.569 1.00 0.00 O ATOM 570 CB ALA A 225 -3.804 -8.802 2.283 1.00 0.00 C ATOM 0 H ALA A 225 -3.511 -6.062 2.143 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.882 -8.338 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.512 -9.793 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.254 -8.884 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.527 -8.372 1.590 1.00 0.00 H new ATOM 576 N CYS A 226 -1.507 -6.663 0.478 1.00 0.00 N ATOM 577 CA CYS A 226 -0.528 -6.481 -0.593 1.00 0.00 C ATOM 578 C CYS A 226 0.915 -6.616 -0.061 1.00 0.00 C ATOM 579 O CYS A 226 1.856 -6.628 -0.853 1.00 0.00 O ATOM 580 CB CYS A 226 -0.735 -5.126 -1.258 1.00 0.00 C ATOM 581 SG CYS A 226 -2.040 -5.193 -2.517 1.00 0.00 S ATOM 0 H CYS A 226 -1.974 -5.800 0.757 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.678 -7.266 -1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -0.995 -4.385 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.198 -4.799 -1.717 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.997 -6.341 -3.126 1.00 0.00 H new ATOM 587 N VAL A 227 1.083 -6.731 1.269 1.00 0.00 N ATOM 588 CA VAL A 227 2.355 -6.922 1.971 1.00 0.00 C ATOM 589 C VAL A 227 2.259 -7.971 3.099 1.00 0.00 C ATOM 590 O VAL A 227 3.281 -8.434 3.603 1.00 0.00 O ATOM 591 CB VAL A 227 2.860 -5.551 2.464 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.809 -4.859 3.349 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.216 -5.637 3.189 1.00 0.00 C ATOM 0 H VAL A 227 0.292 -6.690 1.911 1.00 0.00 H new ATOM 0 HA VAL A 227 3.087 -7.335 1.277 1.00 0.00 H new ATOM 0 HB VAL A 227 3.020 -4.944 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.192 -3.895 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.894 -4.708 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.595 -5.484 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.519 -4.641 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.123 -6.288 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.966 -6.042 2.510 1.00 0.00 H new ATOM 603 N GLY A 228 1.038 -8.369 3.472 1.00 0.00 N ATOM 604 CA GLY A 228 0.771 -9.296 4.568 1.00 0.00 C ATOM 605 C GLY A 228 0.890 -8.643 5.952 1.00 0.00 C ATOM 606 O GLY A 228 1.381 -9.285 6.881 1.00 0.00 O ATOM 0 H GLY A 228 0.190 -8.045 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.232 -9.707 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.467 -10.132 4.506 1.00 0.00 H new ATOM 610 N LEU A 229 0.473 -7.374 6.083 1.00 0.00 N ATOM 611 CA LEU A 229 0.403 -6.655 7.358 1.00 0.00 C ATOM 612 C LEU A 229 -0.702 -7.258 8.236 1.00 0.00 C ATOM 613 O LEU A 229 -1.888 -7.013 8.013 1.00 0.00 O ATOM 614 CB LEU A 229 0.148 -5.151 7.124 1.00 0.00 C ATOM 615 CG LEU A 229 1.414 -4.323 6.830 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.002 -2.964 6.244 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.285 -4.093 8.072 1.00 0.00 C ATOM 0 H LEU A 229 0.170 -6.811 5.288 1.00 0.00 H new ATOM 0 HA LEU A 229 1.359 -6.759 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.545 -5.039 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.344 -4.738 8.005 1.00 0.00 H new ATOM 0 HG LEU A 229 2.013 -4.893 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.893 -2.373 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.444 -3.120 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.376 -2.433 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.160 -3.504 7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.709 -3.558 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.606 -5.054 8.475 1.00 0.00 H new ATOM 746 N TRP A 237 6.413 3.518 6.538 1.00 0.00 N ATOM 747 CA TRP A 237 6.312 2.230 5.864 1.00 0.00 C ATOM 748 C TRP A 237 6.646 2.396 4.377 1.00 0.00 C ATOM 749 O TRP A 237 6.532 3.487 3.815 1.00 0.00 O ATOM 750 CB TRP A 237 4.903 1.666 6.077 1.00 0.00 C ATOM 751 CG TRP A 237 4.613 0.341 5.428 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.936 -0.876 5.920 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.997 0.082 4.128 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.581 -1.859 5.015 1.00 0.00 N ATOM 755 CE2 TRP A 237 4.013 -1.321 3.879 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.471 0.902 3.110 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.540 -1.870 2.675 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.995 0.362 1.899 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.008 -1.024 1.692 1.00 0.00 C ATOM 0 HA TRP A 237 7.028 1.523 6.282 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.732 1.567 7.149 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.183 2.395 5.705 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.402 -1.054 6.878 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.722 -2.858 5.168 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.432 1.971 3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.586 -2.936 2.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.619 1.018 1.128 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.609 -1.439 0.778 1.00 0.00 H new ATOM 770 N PHE A 238 7.043 1.291 3.734 1.00 0.00 N ATOM 771 CA PHE A 238 7.388 1.246 2.319 1.00 0.00 C ATOM 772 C PHE A 238 6.844 -0.046 1.713 1.00 0.00 C ATOM 773 O PHE A 238 6.913 -1.108 2.334 1.00 0.00 O ATOM 774 CB PHE A 238 8.911 1.327 2.138 1.00 0.00 C ATOM 775 CG PHE A 238 9.550 2.590 2.693 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.635 3.752 1.901 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.048 2.609 4.011 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.217 4.921 2.421 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.629 3.779 4.531 1.00 0.00 C ATOM 780 CZ PHE A 238 10.718 4.933 3.734 1.00 0.00 C ATOM 0 H PHE A 238 7.133 0.387 4.198 1.00 0.00 H new ATOM 0 HA PHE A 238 6.942 2.099 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.367 0.463 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.141 1.256 1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.252 3.745 0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.983 1.722 4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.279 5.810 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.007 3.791 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.172 5.829 4.131 1.00 0.00 H new ATOM 790 N CYS A 239 6.316 0.050 0.487 1.00 0.00 N ATOM 791 CA CYS A 239 5.768 -1.082 -0.245 1.00 0.00 C ATOM 792 C CYS A 239 6.858 -2.076 -0.678 1.00 0.00 C ATOM 793 O CYS A 239 8.037 -1.710 -0.677 1.00 0.00 O ATOM 794 CB CYS A 239 4.934 -0.523 -1.399 1.00 0.00 C ATOM 795 SG CYS A 239 5.942 0.179 -2.727 1.00 0.00 S ATOM 0 H CYS A 239 6.260 0.930 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 239 5.119 -1.679 0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.309 -1.318 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.263 0.245 -1.016 1.00 0.00 H new ATOM 0 HG CYS A 239 5.167 0.628 -3.669 1.00 0.00 H new ATOM 801 N PRO A 240 6.493 -3.313 -1.083 1.00 0.00 N ATOM 802 CA PRO A 240 7.422 -4.317 -1.611 1.00 0.00 C ATOM 803 C PRO A 240 7.927 -3.986 -3.035 1.00 0.00 C ATOM 804 O PRO A 240 8.150 -4.887 -3.842 1.00 0.00 O ATOM 805 CB PRO A 240 6.668 -5.651 -1.502 1.00 0.00 C ATOM 806 CG PRO A 240 5.210 -5.243 -1.676 1.00 0.00 C ATOM 807 CD PRO A 240 5.160 -3.897 -0.958 1.00 0.00 C ATOM 0 HA PRO A 240 8.351 -4.352 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 240 6.983 -6.356 -2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.839 -6.133 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 240 4.936 -5.153 -2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.529 -5.968 -1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.408 -3.247 -1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.889 -4.026 0.090 1.00 0.00 H new ATOM 815 N ARG A 241 8.123 -2.690 -3.333 1.00 0.00 N ATOM 816 CA ARG A 241 8.796 -2.183 -4.529 1.00 0.00 C ATOM 817 C ARG A 241 9.701 -0.987 -4.188 1.00 0.00 C ATOM 818 O ARG A 241 10.714 -0.781 -4.853 1.00 0.00 O ATOM 819 CB ARG A 241 7.775 -1.778 -5.610 1.00 0.00 C ATOM 820 CG ARG A 241 6.873 -2.929 -6.087 1.00 0.00 C ATOM 821 CD ARG A 241 5.911 -2.492 -7.199 1.00 0.00 C ATOM 822 NE ARG A 241 6.623 -2.155 -8.442 1.00 0.00 N ATOM 823 CZ ARG A 241 6.054 -1.711 -9.572 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.734 -1.531 -9.671 1.00 0.00 N ATOM 825 NH2 ARG A 241 6.822 -1.442 -10.629 1.00 0.00 N ATOM 0 H ARG A 241 7.802 -1.942 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 241 9.416 -2.989 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.147 -0.977 -5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.312 -1.373 -6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.494 -3.749 -6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.299 -3.312 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.197 -3.292 -7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 241 5.338 -1.628 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 241 7.637 -2.269 -8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.131 -1.733 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 241 4.330 -1.192 -10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 241 7.832 -1.575 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.399 -1.104 -11.494 1.00 0.00 H new ATOM 839 N CYS A 242 9.352 -0.226 -3.143 1.00 0.00 N ATOM 840 CA CYS A 242 10.056 0.915 -2.614 1.00 0.00 C ATOM 841 C CYS A 242 11.102 0.515 -1.565 1.00 0.00 C ATOM 842 O CYS A 242 12.109 1.206 -1.417 1.00 0.00 O ATOM 843 CB CYS A 242 8.976 1.760 -1.945 1.00 0.00 C ATOM 844 SG CYS A 242 8.146 2.846 -3.142 1.00 0.00 S ATOM 0 H CYS A 242 8.501 -0.420 -2.615 1.00 0.00 H new ATOM 0 HA CYS A 242 10.595 1.437 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.241 1.107 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.422 2.362 -1.153 1.00 0.00 H new ATOM 0 HG CYS A 242 7.016 2.313 -3.501 1.00 0.00 H new