USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 364 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 -46:sc= -6.12! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.581 K(o=-1.5,f=-4.7!) USER MOD Set 1.3: A 217 CYS SG : rot -173:sc= 1.49 USER MOD Set 1.4: A 239 CYS SG : rot 155:sc= 0.733 USER MOD Set 1.5: A 242 CYS SG : rot 110:sc= 1.79 USER MOD Set 2.1: A 206 TYR OH : rot 166:sc= 0.208 USER MOD Set 2.2: A 209 MET CE :methyl -167:sc= -0.194 (180deg=-0.606) USER MOD Set 3.1: A 199 CYS SG : rot -154:sc= 0.208 USER MOD Set 3.2: A 201 CYS SG : rot 112:sc= 0.136 USER MOD Set 3.3: A 226 CYS SG : rot 70:sc= 0.849 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : A 203 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.4) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot -46:sc= 0.17 USER MOD Single : A 223 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.8) USER MOD Single : A 230 THR OG1 : rot -21:sc= 0.0698 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 8.826 15.268 6.682 1.00 0.00 N ATOM 135 CA PRO A 196 8.329 16.267 7.626 1.00 0.00 C ATOM 136 C PRO A 196 7.224 17.138 7.012 1.00 0.00 C ATOM 137 O PRO A 196 7.143 17.300 5.794 1.00 0.00 O ATOM 138 CB PRO A 196 9.552 17.100 8.024 1.00 0.00 C ATOM 139 CG PRO A 196 10.465 16.991 6.805 1.00 0.00 C ATOM 140 CD PRO A 196 10.202 15.570 6.314 1.00 0.00 C ATOM 0 HA PRO A 196 7.867 15.795 8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.282 18.135 8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.031 16.708 8.921 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.218 17.734 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 196 11.512 17.141 7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 196 10.343 15.497 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 196 10.893 14.864 6.774 1.00 0.00 H new ATOM 148 N THR A 197 6.374 17.706 7.879 1.00 0.00 N ATOM 149 CA THR A 197 5.182 18.459 7.506 1.00 0.00 C ATOM 150 C THR A 197 4.932 19.601 8.503 1.00 0.00 C ATOM 151 O THR A 197 5.651 19.753 9.492 1.00 0.00 O ATOM 152 CB THR A 197 3.954 17.525 7.422 1.00 0.00 C ATOM 153 OG1 THR A 197 3.661 16.949 8.678 1.00 0.00 O ATOM 154 CG2 THR A 197 4.090 16.400 6.388 1.00 0.00 C ATOM 0 H THR A 197 6.507 17.649 8.889 1.00 0.00 H new ATOM 0 HA THR A 197 5.344 18.896 6.521 1.00 0.00 H new ATOM 0 HB THR A 197 3.139 18.172 7.097 1.00 0.00 H new ATOM 0 HG1 THR A 197 2.879 16.364 8.595 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.186 15.791 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.232 16.832 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 197 4.949 15.777 6.639 1.00 0.00 H new ATOM 162 N TYR A 198 3.901 20.406 8.212 1.00 0.00 N ATOM 163 CA TYR A 198 3.615 21.667 8.898 1.00 0.00 C ATOM 164 C TYR A 198 2.128 21.829 9.245 1.00 0.00 C ATOM 165 O TYR A 198 1.774 21.523 10.380 1.00 0.00 O ATOM 166 CB TYR A 198 4.149 22.821 8.047 1.00 0.00 C ATOM 167 CG TYR A 198 5.658 22.816 7.873 1.00 0.00 C ATOM 168 CD1 TYR A 198 6.485 23.329 8.892 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.235 22.282 6.703 1.00 0.00 C ATOM 170 CE1 TYR A 198 7.883 23.319 8.745 1.00 0.00 C ATOM 171 CE2 TYR A 198 7.633 22.259 6.552 1.00 0.00 C ATOM 172 CZ TYR A 198 8.462 22.781 7.572 1.00 0.00 C ATOM 173 OH TYR A 198 9.817 22.762 7.423 1.00 0.00 O ATOM 0 H TYR A 198 3.229 20.191 7.476 1.00 0.00 H new ATOM 0 HA TYR A 198 4.126 21.669 9.861 1.00 0.00 H new ATOM 0 HB2 TYR A 198 3.680 22.780 7.064 1.00 0.00 H new ATOM 0 HB3 TYR A 198 3.850 23.764 8.504 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.042 23.732 9.791 1.00 0.00 H new ATOM 0 HD2 TYR A 198 5.602 21.890 5.921 1.00 0.00 H new ATOM 0 HE1 TYR A 198 8.513 23.721 9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.073 21.843 5.658 1.00 0.00 H new ATOM 0 HH TYR A 198 10.046 22.357 6.560 1.00 0.00 H new ATOM 183 N CYS A 199 1.270 22.301 8.314 1.00 0.00 N ATOM 184 CA CYS A 199 -0.160 22.534 8.544 1.00 0.00 C ATOM 185 C CYS A 199 -0.898 21.292 9.044 1.00 0.00 C ATOM 186 O CYS A 199 -0.399 20.172 8.958 1.00 0.00 O ATOM 187 CB CYS A 199 -0.888 23.205 7.351 1.00 0.00 C ATOM 188 SG CYS A 199 -2.300 24.184 7.973 1.00 0.00 S ATOM 0 H CYS A 199 1.565 22.533 7.365 1.00 0.00 H new ATOM 0 HA CYS A 199 -0.190 23.262 9.354 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -0.198 23.848 6.805 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -1.238 22.446 6.651 1.00 0.00 H new ATOM 0 HG CYS A 199 -3.205 24.279 7.044 1.00 0.00 H new ATOM 193 N LEU A 200 -2.132 21.521 9.506 1.00 0.00 N ATOM 194 CA LEU A 200 -3.101 20.480 9.864 1.00 0.00 C ATOM 195 C LEU A 200 -3.410 19.527 8.696 1.00 0.00 C ATOM 196 O LEU A 200 -4.003 18.469 8.895 1.00 0.00 O ATOM 197 CB LEU A 200 -4.368 21.135 10.446 1.00 0.00 C ATOM 198 CG LEU A 200 -5.184 21.929 9.402 1.00 0.00 C ATOM 199 CD1 LEU A 200 -6.349 21.116 8.817 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.747 23.220 10.010 1.00 0.00 C ATOM 0 H LEU A 200 -2.495 22.464 9.645 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.656 19.847 10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -5.002 20.361 10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -4.082 21.804 11.258 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.488 22.164 8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.887 21.723 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.960 20.223 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -7.027 20.824 9.619 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.317 23.760 9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.399 22.973 10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.926 23.845 10.360 1.00 0.00 H new ATOM 212 N CYS A 201 -2.985 19.915 7.487 1.00 0.00 N ATOM 213 CA CYS A 201 -3.089 19.160 6.250 1.00 0.00 C ATOM 214 C CYS A 201 -2.056 18.031 6.142 1.00 0.00 C ATOM 215 O CYS A 201 -2.235 17.122 5.333 1.00 0.00 O ATOM 216 CB CYS A 201 -2.803 20.143 5.122 1.00 0.00 C ATOM 217 SG CYS A 201 -4.035 21.469 5.035 1.00 0.00 S ATOM 0 H CYS A 201 -2.534 20.819 7.347 1.00 0.00 H new ATOM 0 HA CYS A 201 -4.079 18.705 6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.814 20.578 5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.782 19.607 4.173 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.484 22.597 5.373 1.00 0.00 H new ATOM 223 N HIS A 202 -0.977 18.119 6.932 1.00 0.00 N ATOM 224 CA HIS A 202 0.200 17.264 6.896 1.00 0.00 C ATOM 225 C HIS A 202 0.854 17.269 5.506 1.00 0.00 C ATOM 226 O HIS A 202 0.901 16.246 4.824 1.00 0.00 O ATOM 227 CB HIS A 202 -0.096 15.863 7.467 1.00 0.00 C ATOM 228 CG HIS A 202 -0.683 15.843 8.862 1.00 0.00 C ATOM 229 ND1 HIS A 202 -1.378 14.797 9.425 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.623 16.832 9.811 1.00 0.00 C ATOM 231 CE1 HIS A 202 -1.727 15.155 10.673 1.00 0.00 C ATOM 232 NE2 HIS A 202 -1.292 16.393 10.957 1.00 0.00 N ATOM 0 H HIS A 202 -0.906 18.835 7.655 1.00 0.00 H new ATOM 0 HA HIS A 202 0.954 17.681 7.564 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.785 15.353 6.794 1.00 0.00 H new ATOM 0 HB3 HIS A 202 0.830 15.288 7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -0.139 17.790 9.692 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -2.283 14.530 11.356 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.423 16.907 11.828 1.00 0.00 H new ATOM 240 N GLN A 203 1.360 18.447 5.106 1.00 0.00 N ATOM 241 CA GLN A 203 2.121 18.663 3.882 1.00 0.00 C ATOM 242 C GLN A 203 3.473 19.342 4.153 1.00 0.00 C ATOM 243 O GLN A 203 3.648 20.020 5.166 1.00 0.00 O ATOM 244 CB GLN A 203 1.264 19.404 2.833 1.00 0.00 C ATOM 245 CG GLN A 203 1.239 20.944 2.898 1.00 0.00 C ATOM 246 CD GLN A 203 0.546 21.542 4.120 1.00 0.00 C ATOM 247 OE1 GLN A 203 -0.556 22.077 4.018 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.192 21.527 5.281 1.00 0.00 N ATOM 0 H GLN A 203 1.242 19.301 5.651 1.00 0.00 H new ATOM 0 HA GLN A 203 2.370 17.690 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.618 19.114 1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.238 19.046 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.266 21.308 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.744 21.320 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.106 21.079 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 203 0.774 21.963 6.103 1.00 0.00 H new ATOM 257 N VAL A 204 4.418 19.156 3.222 1.00 0.00 N ATOM 258 CA VAL A 204 5.793 19.671 3.269 1.00 0.00 C ATOM 259 C VAL A 204 5.813 21.208 3.099 1.00 0.00 C ATOM 260 O VAL A 204 4.767 21.850 2.995 1.00 0.00 O ATOM 261 CB VAL A 204 6.679 18.946 2.209 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.151 18.829 2.655 1.00 0.00 C ATOM 263 CG2 VAL A 204 6.221 17.509 1.878 1.00 0.00 C ATOM 0 H VAL A 204 4.236 18.617 2.375 1.00 0.00 H new ATOM 0 HA VAL A 204 6.217 19.458 4.250 1.00 0.00 H new ATOM 0 HB VAL A 204 6.574 19.579 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 204 8.726 18.317 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 204 8.563 19.825 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.206 18.262 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 204 6.890 17.076 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 204 6.244 16.902 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 204 5.205 17.533 1.483 1.00 0.00 H new ATOM 273 N SER A 205 7.020 21.790 3.088 1.00 0.00 N ATOM 274 CA SER A 205 7.322 23.216 2.939 1.00 0.00 C ATOM 275 C SER A 205 6.534 23.907 1.814 1.00 0.00 C ATOM 276 O SER A 205 6.186 23.302 0.799 1.00 0.00 O ATOM 277 CB SER A 205 8.835 23.407 2.768 1.00 0.00 C ATOM 278 OG SER A 205 9.310 22.759 1.605 1.00 0.00 O ATOM 0 H SER A 205 7.870 21.235 3.190 1.00 0.00 H new ATOM 0 HA SER A 205 6.992 23.709 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.065 24.471 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.354 23.014 3.642 1.00 0.00 H new ATOM 0 HG SER A 205 10.276 22.901 1.523 1.00 0.00 H new ATOM 284 N TYR A 206 6.257 25.199 2.032 1.00 0.00 N ATOM 285 CA TYR A 206 5.317 26.003 1.255 1.00 0.00 C ATOM 286 C TYR A 206 5.666 27.498 1.328 1.00 0.00 C ATOM 287 O TYR A 206 6.575 27.900 2.056 1.00 0.00 O ATOM 288 CB TYR A 206 3.888 25.724 1.768 1.00 0.00 C ATOM 289 CG TYR A 206 3.640 25.966 3.254 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.172 25.082 4.215 1.00 0.00 C ATOM 291 CD2 TYR A 206 2.858 27.057 3.684 1.00 0.00 C ATOM 292 CE1 TYR A 206 3.980 25.310 5.584 1.00 0.00 C ATOM 293 CE2 TYR A 206 2.578 27.224 5.052 1.00 0.00 C ATOM 294 CZ TYR A 206 3.147 26.360 6.007 1.00 0.00 C ATOM 295 OH TYR A 206 2.925 26.558 7.333 1.00 0.00 O ATOM 0 H TYR A 206 6.700 25.728 2.783 1.00 0.00 H new ATOM 0 HA TYR A 206 5.381 25.724 0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.194 26.345 1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.642 24.686 1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 206 4.734 24.218 3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 206 2.474 27.764 2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 206 4.471 24.681 6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 206 1.922 28.020 5.372 1.00 0.00 H new ATOM 0 HH TYR A 206 2.521 27.440 7.469 1.00 0.00 H new ATOM 305 N GLY A 207 4.947 28.316 0.545 1.00 0.00 N ATOM 306 CA GLY A 207 5.258 29.727 0.340 1.00 0.00 C ATOM 307 C GLY A 207 4.761 30.614 1.480 1.00 0.00 C ATOM 308 O GLY A 207 5.570 31.092 2.275 1.00 0.00 O ATOM 0 H GLY A 207 4.122 28.005 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.337 29.845 0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 207 4.810 30.061 -0.596 1.00 0.00 H new ATOM 312 N GLU A 208 3.441 30.837 1.561 1.00 0.00 N ATOM 313 CA GLU A 208 2.833 31.724 2.541 1.00 0.00 C ATOM 314 C GLU A 208 2.506 30.979 3.834 1.00 0.00 C ATOM 315 O GLU A 208 1.725 30.028 3.827 1.00 0.00 O ATOM 316 CB GLU A 208 1.598 32.393 1.933 1.00 0.00 C ATOM 317 CG GLU A 208 0.520 31.472 1.321 1.00 0.00 C ATOM 318 CD GLU A 208 -0.723 32.230 0.842 1.00 0.00 C ATOM 319 OE1 GLU A 208 -0.579 33.398 0.416 1.00 0.00 O ATOM 320 OE2 GLU A 208 -1.812 31.617 0.908 1.00 0.00 O ATOM 0 H GLU A 208 2.765 30.397 0.937 1.00 0.00 H new ATOM 0 HA GLU A 208 3.546 32.505 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 208 1.125 32.996 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 208 1.935 33.080 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 208 0.951 30.927 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 208 0.222 30.731 2.062 1.00 0.00 H new ATOM 327 N MET A 209 3.109 31.419 4.948 1.00 0.00 N ATOM 328 CA MET A 209 3.068 30.681 6.207 1.00 0.00 C ATOM 329 C MET A 209 2.953 31.595 7.426 1.00 0.00 C ATOM 330 O MET A 209 3.600 32.641 7.501 1.00 0.00 O ATOM 331 CB MET A 209 4.333 29.811 6.407 1.00 0.00 C ATOM 332 CG MET A 209 5.096 29.321 5.167 1.00 0.00 C ATOM 333 SD MET A 209 6.214 27.889 5.361 1.00 0.00 S ATOM 334 CE MET A 209 6.504 27.751 7.149 1.00 0.00 C ATOM 0 H MET A 209 3.634 32.292 4.996 1.00 0.00 H new ATOM 0 HA MET A 209 2.179 30.055 6.132 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.031 30.380 7.021 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.042 28.933 6.984 1.00 0.00 H new ATOM 0 HG2 MET A 209 4.363 29.071 4.400 1.00 0.00 H new ATOM 0 HG3 MET A 209 5.684 30.155 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.336 27.071 7.331 1.00 0.00 H new ATOM 0 HE2 MET A 209 6.742 28.734 7.556 1.00 0.00 H new ATOM 0 HE3 MET A 209 5.608 27.365 7.634 1.00 0.00 H new ATOM 344 N ILE A 210 2.196 31.112 8.417 1.00 0.00 N ATOM 345 CA ILE A 210 2.023 31.722 9.734 1.00 0.00 C ATOM 346 C ILE A 210 2.097 30.641 10.818 1.00 0.00 C ATOM 347 O ILE A 210 1.759 29.487 10.570 1.00 0.00 O ATOM 348 CB ILE A 210 0.700 32.517 9.773 1.00 0.00 C ATOM 349 CG1 ILE A 210 0.597 33.343 11.071 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.538 31.619 9.556 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.534 34.370 11.038 1.00 0.00 C ATOM 0 H ILE A 210 1.665 30.247 8.316 1.00 0.00 H new ATOM 0 HA ILE A 210 2.828 32.431 9.930 1.00 0.00 H new ATOM 0 HB ILE A 210 0.714 33.213 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.443 32.668 11.913 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.542 33.857 11.244 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -1.441 32.229 9.593 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.468 31.132 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.580 30.861 10.339 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.555 34.919 11.979 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.369 35.066 10.216 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.486 33.858 10.895 1.00 0.00 H new ATOM 363 N GLY A 211 2.530 31.030 12.022 1.00 0.00 N ATOM 364 CA GLY A 211 2.826 30.125 13.125 1.00 0.00 C ATOM 365 C GLY A 211 2.146 30.536 14.431 1.00 0.00 C ATOM 366 O GLY A 211 2.068 31.717 14.766 1.00 0.00 O ATOM 0 H GLY A 211 2.687 32.010 12.257 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.508 29.118 12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.904 30.088 13.279 1.00 0.00 H new ATOM 370 N CYS A 212 1.640 29.521 15.143 1.00 0.00 N ATOM 371 CA CYS A 212 0.743 29.643 16.296 1.00 0.00 C ATOM 372 C CYS A 212 1.498 30.086 17.551 1.00 0.00 C ATOM 373 O CYS A 212 2.484 29.464 17.941 1.00 0.00 O ATOM 374 CB CYS A 212 -0.006 28.315 16.510 1.00 0.00 C ATOM 375 SG CYS A 212 -0.609 27.585 15.008 1.00 0.00 S ATOM 0 H CYS A 212 1.855 28.549 14.920 1.00 0.00 H new ATOM 0 HA CYS A 212 0.009 30.422 16.091 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.660 27.608 17.005 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.846 28.486 17.183 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.192 28.496 14.286 1.00 0.00 H new ATOM 380 N ASP A 213 0.990 31.150 18.189 1.00 0.00 N ATOM 381 CA ASP A 213 1.561 31.797 19.372 1.00 0.00 C ATOM 382 C ASP A 213 1.435 30.952 20.661 1.00 0.00 C ATOM 383 O ASP A 213 1.902 31.375 21.718 1.00 0.00 O ATOM 384 CB ASP A 213 0.870 33.164 19.525 1.00 0.00 C ATOM 385 CG ASP A 213 1.525 34.069 20.569 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.623 34.583 20.264 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.903 34.261 21.638 1.00 0.00 O ATOM 0 H ASP A 213 0.130 31.601 17.877 1.00 0.00 H new ATOM 0 HA ASP A 213 2.635 31.914 19.226 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.874 33.673 18.561 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.173 33.006 19.797 1.00 0.00 H new ATOM 392 N ASN A 214 0.806 29.769 20.594 1.00 0.00 N ATOM 393 CA ASN A 214 0.539 28.929 21.755 1.00 0.00 C ATOM 394 C ASN A 214 1.841 28.375 22.363 1.00 0.00 C ATOM 395 O ASN A 214 2.759 28.034 21.615 1.00 0.00 O ATOM 396 CB ASN A 214 -0.275 27.691 21.356 1.00 0.00 C ATOM 397 CG ASN A 214 -1.622 27.906 20.681 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.756 28.629 19.695 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.616 27.137 21.112 1.00 0.00 N ATOM 0 H ASN A 214 0.467 29.370 19.718 1.00 0.00 H new ATOM 0 HA ASN A 214 0.005 29.562 22.464 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.340 27.088 20.688 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.443 27.099 22.255 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.511 27.139 20.623 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.484 26.545 21.932 1.00 0.00 H new ATOM 406 N PRO A 215 1.889 28.165 23.692 1.00 0.00 N ATOM 407 CA PRO A 215 2.945 27.401 24.352 1.00 0.00 C ATOM 408 C PRO A 215 2.677 25.878 24.281 1.00 0.00 C ATOM 409 O PRO A 215 3.380 25.112 24.938 1.00 0.00 O ATOM 410 CB PRO A 215 2.913 27.908 25.798 1.00 0.00 C ATOM 411 CG PRO A 215 1.423 28.152 26.034 1.00 0.00 C ATOM 412 CD PRO A 215 0.940 28.667 24.679 1.00 0.00 C ATOM 0 HA PRO A 215 3.917 27.539 23.879 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.318 27.174 26.494 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.497 28.820 25.921 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.906 27.238 26.326 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.254 28.881 26.826 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.068 28.313 24.465 1.00 0.00 H new ATOM 0 HD3 PRO A 215 0.905 29.756 24.666 1.00 0.00 H new ATOM 420 N ASP A 216 1.656 25.445 23.516 1.00 0.00 N ATOM 421 CA ASP A 216 1.114 24.085 23.544 1.00 0.00 C ATOM 422 C ASP A 216 0.652 23.548 22.175 1.00 0.00 C ATOM 423 O ASP A 216 0.372 22.355 22.067 1.00 0.00 O ATOM 424 CB ASP A 216 -0.049 24.095 24.556 1.00 0.00 C ATOM 425 CG ASP A 216 -0.658 22.716 24.817 1.00 0.00 C ATOM 426 OD1 ASP A 216 0.044 21.884 25.432 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.826 22.529 24.410 1.00 0.00 O ATOM 0 H ASP A 216 1.179 26.050 22.848 1.00 0.00 H new ATOM 0 HA ASP A 216 1.911 23.401 23.836 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.307 24.508 25.500 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.829 24.762 24.191 1.00 0.00 H new ATOM 432 N CYS A 217 0.580 24.383 21.124 1.00 0.00 N ATOM 433 CA CYS A 217 0.181 23.953 19.790 1.00 0.00 C ATOM 434 C CYS A 217 1.171 22.924 19.242 1.00 0.00 C ATOM 435 O CYS A 217 2.387 23.102 19.300 1.00 0.00 O ATOM 436 CB CYS A 217 0.014 25.150 18.850 1.00 0.00 C ATOM 437 SG CYS A 217 -0.694 24.636 17.261 1.00 0.00 S ATOM 0 H CYS A 217 0.800 25.377 21.185 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.793 23.468 19.858 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.631 25.895 19.316 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.981 25.625 18.685 1.00 0.00 H new ATOM 0 HG CYS A 217 -0.687 25.642 16.437 1.00 0.00 H new ATOM 443 N SER A 218 0.595 21.854 18.695 1.00 0.00 N ATOM 444 CA SER A 218 1.292 20.659 18.218 1.00 0.00 C ATOM 445 C SER A 218 1.338 20.603 16.680 1.00 0.00 C ATOM 446 O SER A 218 1.846 19.640 16.108 1.00 0.00 O ATOM 447 CB SER A 218 0.605 19.433 18.834 1.00 0.00 C ATOM 448 OG SER A 218 1.377 18.264 18.667 1.00 0.00 O ATOM 0 H SER A 218 -0.415 21.793 18.566 1.00 0.00 H new ATOM 0 HA SER A 218 2.335 20.681 18.535 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.433 19.607 19.896 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.372 19.293 18.372 1.00 0.00 H new ATOM 0 HG SER A 218 1.702 18.216 17.744 1.00 0.00 H new ATOM 454 N ILE A 219 0.844 21.658 16.018 1.00 0.00 N ATOM 455 CA ILE A 219 0.884 21.852 14.572 1.00 0.00 C ATOM 456 C ILE A 219 1.824 23.028 14.256 1.00 0.00 C ATOM 457 O ILE A 219 2.652 22.893 13.359 1.00 0.00 O ATOM 458 CB ILE A 219 -0.547 22.052 14.016 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.544 20.930 14.400 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.539 22.233 12.486 1.00 0.00 C ATOM 461 CD1 ILE A 219 -1.194 19.520 13.900 1.00 0.00 C ATOM 0 H ILE A 219 0.387 22.431 16.502 1.00 0.00 H new ATOM 0 HA ILE A 219 1.281 20.966 14.076 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.902 22.965 14.495 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.625 20.899 15.487 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -2.528 21.197 14.014 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -1.560 22.371 12.131 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.057 23.108 12.226 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.108 21.348 12.017 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.960 18.817 14.227 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -1.145 19.522 12.811 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -0.228 19.219 14.306 1.00 0.00 H new ATOM 473 N GLU A 220 1.728 24.111 15.053 1.00 0.00 N ATOM 474 CA GLU A 220 2.556 25.327 15.155 1.00 0.00 C ATOM 475 C GLU A 220 2.925 26.108 13.875 1.00 0.00 C ATOM 476 O GLU A 220 3.388 27.236 14.008 1.00 0.00 O ATOM 477 CB GLU A 220 3.796 25.064 16.032 1.00 0.00 C ATOM 478 CG GLU A 220 4.835 24.142 15.374 1.00 0.00 C ATOM 479 CD GLU A 220 6.177 24.202 16.102 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.277 23.573 17.178 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.083 24.881 15.568 1.00 0.00 O ATOM 0 H GLU A 220 0.966 24.157 15.729 1.00 0.00 H new ATOM 0 HA GLU A 220 1.866 26.027 15.626 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.269 26.016 16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 220 3.476 24.621 16.975 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.465 23.117 15.374 1.00 0.00 H new ATOM 0 HG3 GLU A 220 4.972 24.431 14.332 1.00 0.00 H new ATOM 488 N TRP A 221 2.694 25.579 12.669 1.00 0.00 N ATOM 489 CA TRP A 221 2.810 26.252 11.388 1.00 0.00 C ATOM 490 C TRP A 221 1.649 25.844 10.497 1.00 0.00 C ATOM 491 O TRP A 221 1.265 24.680 10.456 1.00 0.00 O ATOM 492 CB TRP A 221 4.079 25.815 10.682 1.00 0.00 C ATOM 493 CG TRP A 221 5.322 26.514 11.078 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.331 25.990 11.804 1.00 0.00 C ATOM 495 CD2 TRP A 221 5.727 27.867 10.725 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.353 26.906 11.884 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.056 28.063 11.190 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.116 28.933 10.028 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.770 29.235 10.908 1.00 0.00 C ATOM 500 CZ3 TRP A 221 5.804 30.139 9.799 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.137 30.283 10.219 1.00 0.00 C ATOM 0 H TRP A 221 2.403 24.607 12.564 1.00 0.00 H new ATOM 0 HA TRP A 221 2.818 27.327 11.567 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.217 24.748 10.855 1.00 0.00 H new ATOM 0 HB3 TRP A 221 3.938 25.949 9.610 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.335 25.007 12.251 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.223 26.751 12.393 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.105 28.821 9.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.800 29.332 11.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.306 30.956 9.299 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.674 31.197 10.013 1.00 0.00 H new ATOM 512 N PHE A 222 1.098 26.836 9.801 1.00 0.00 N ATOM 513 CA PHE A 222 -0.148 26.753 9.049 1.00 0.00 C ATOM 514 C PHE A 222 -0.042 27.601 7.785 1.00 0.00 C ATOM 515 O PHE A 222 0.736 28.555 7.728 1.00 0.00 O ATOM 516 CB PHE A 222 -1.337 27.289 9.881 1.00 0.00 C ATOM 517 CG PHE A 222 -1.791 26.447 11.063 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.902 26.186 12.115 1.00 0.00 C ATOM 519 CD2 PHE A 222 -3.116 25.970 11.161 1.00 0.00 C ATOM 520 CE1 PHE A 222 -1.278 25.377 13.185 1.00 0.00 C ATOM 521 CE2 PHE A 222 -3.535 25.284 12.320 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.611 25.017 13.345 1.00 0.00 C ATOM 0 H PHE A 222 1.528 27.759 9.745 1.00 0.00 H new ATOM 0 HA PHE A 222 -0.318 25.705 8.803 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -1.071 28.278 10.253 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -2.187 27.418 9.211 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.088 26.618 12.096 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.809 26.130 10.348 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -0.536 25.030 13.889 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -4.562 24.965 12.420 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.936 24.533 14.254 1.00 0.00 H new ATOM 532 N HIS A 223 -0.868 27.270 6.786 1.00 0.00 N ATOM 533 CA HIS A 223 -1.063 28.147 5.637 1.00 0.00 C ATOM 534 C HIS A 223 -1.929 29.333 6.045 1.00 0.00 C ATOM 535 O HIS A 223 -2.810 29.216 6.900 1.00 0.00 O ATOM 536 CB HIS A 223 -1.721 27.402 4.466 1.00 0.00 C ATOM 537 CG HIS A 223 -0.797 26.511 3.675 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.264 25.287 4.098 1.00 0.00 N ATOM 539 CD2 HIS A 223 -0.380 26.768 2.400 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.493 24.866 3.068 1.00 0.00 C ATOM 541 NE2 HIS A 223 0.421 25.718 2.033 1.00 0.00 N ATOM 0 H HIS A 223 -1.407 26.405 6.754 1.00 0.00 H new ATOM 0 HA HIS A 223 -0.085 28.496 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -2.540 26.796 4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -2.160 28.135 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -0.632 27.629 1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.082 23.961 3.073 1.00 0.00 H new ATOM 0 HE2 HIS A 223 0.882 25.604 1.130 1.00 0.00 H new ATOM 549 N PHE A 224 -1.688 30.466 5.377 1.00 0.00 N ATOM 550 CA PHE A 224 -2.591 31.615 5.431 1.00 0.00 C ATOM 551 C PHE A 224 -4.012 31.167 5.118 1.00 0.00 C ATOM 552 O PHE A 224 -4.916 31.397 5.908 1.00 0.00 O ATOM 553 CB PHE A 224 -2.199 32.682 4.397 1.00 0.00 C ATOM 554 CG PHE A 224 -0.992 33.555 4.643 1.00 0.00 C ATOM 555 CD1 PHE A 224 -0.121 33.350 5.730 1.00 0.00 C ATOM 556 CD2 PHE A 224 -0.714 34.562 3.697 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.070 34.085 5.805 1.00 0.00 C ATOM 558 CE2 PHE A 224 0.491 35.279 3.765 1.00 0.00 C ATOM 559 CZ PHE A 224 1.405 34.991 4.789 1.00 0.00 C ATOM 0 H PHE A 224 -0.867 30.610 4.789 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.524 32.037 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -2.044 32.172 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.057 33.342 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.368 32.633 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -1.429 34.782 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.732 33.953 6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 224 0.712 36.045 3.036 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.373 35.470 4.795 1.00 0.00 H new ATOM 569 N ALA A 225 -4.189 30.478 3.994 1.00 0.00 N ATOM 570 CA ALA A 225 -5.485 30.043 3.511 1.00 0.00 C ATOM 571 C ALA A 225 -6.093 28.906 4.346 1.00 0.00 C ATOM 572 O ALA A 225 -7.287 28.649 4.198 1.00 0.00 O ATOM 573 CB ALA A 225 -5.360 29.640 2.037 1.00 0.00 C ATOM 0 H ALA A 225 -3.417 30.204 3.386 1.00 0.00 H new ATOM 0 HA ALA A 225 -6.175 30.880 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -6.331 29.311 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -5.019 30.495 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.641 28.826 1.942 1.00 0.00 H new ATOM 579 N CYS A 226 -5.328 28.251 5.242 1.00 0.00 N ATOM 580 CA CYS A 226 -5.863 27.288 6.181 1.00 0.00 C ATOM 581 C CYS A 226 -6.575 27.958 7.371 1.00 0.00 C ATOM 582 O CYS A 226 -7.249 27.257 8.122 1.00 0.00 O ATOM 583 CB CYS A 226 -4.697 26.415 6.632 1.00 0.00 C ATOM 584 SG CYS A 226 -4.511 24.988 5.520 1.00 0.00 S ATOM 0 H CYS A 226 -4.320 28.387 5.322 1.00 0.00 H new ATOM 0 HA CYS A 226 -6.632 26.684 5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.778 27.000 6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.865 26.070 7.652 1.00 0.00 H new ATOM 0 HG CYS A 226 -4.079 25.393 4.363 1.00 0.00 H new ATOM 590 N VAL A 227 -6.477 29.293 7.508 1.00 0.00 N ATOM 591 CA VAL A 227 -7.230 30.122 8.456 1.00 0.00 C ATOM 592 C VAL A 227 -8.056 31.212 7.757 1.00 0.00 C ATOM 593 O VAL A 227 -8.952 31.801 8.362 1.00 0.00 O ATOM 594 CB VAL A 227 -6.270 30.689 9.525 1.00 0.00 C ATOM 595 CG1 VAL A 227 -5.268 31.727 9.002 1.00 0.00 C ATOM 596 CG2 VAL A 227 -7.013 31.269 10.740 1.00 0.00 C ATOM 0 H VAL A 227 -5.841 29.845 6.933 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.964 29.493 8.959 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.695 29.816 9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.636 32.068 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.646 31.275 8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.809 32.576 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -6.290 31.653 11.459 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.666 32.079 10.415 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.610 30.487 11.209 1.00 0.00 H new ATOM 606 N GLY A 228 -7.762 31.446 6.476 1.00 0.00 N ATOM 607 CA GLY A 228 -8.437 32.400 5.606 1.00 0.00 C ATOM 608 C GLY A 228 -7.694 33.734 5.468 1.00 0.00 C ATOM 609 O GLY A 228 -8.312 34.711 5.044 1.00 0.00 O ATOM 0 H GLY A 228 -7.010 30.949 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -8.557 31.956 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -9.438 32.589 5.995 1.00 0.00 H new ATOM 613 N LEU A 229 -6.403 33.800 5.837 1.00 0.00 N ATOM 614 CA LEU A 229 -5.586 35.000 5.694 1.00 0.00 C ATOM 615 C LEU A 229 -5.248 35.284 4.222 1.00 0.00 C ATOM 616 O LEU A 229 -5.329 34.406 3.362 1.00 0.00 O ATOM 617 CB LEU A 229 -4.305 34.890 6.547 1.00 0.00 C ATOM 618 CG LEU A 229 -4.490 35.283 8.026 1.00 0.00 C ATOM 619 CD1 LEU A 229 -3.245 34.862 8.817 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.703 36.794 8.210 1.00 0.00 C ATOM 0 H LEU A 229 -5.901 33.012 6.245 1.00 0.00 H new ATOM 0 HA LEU A 229 -6.170 35.845 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.938 33.865 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -3.535 35.525 6.108 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.382 34.773 8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -3.369 35.137 9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -3.112 33.783 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -2.368 35.366 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.828 37.017 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.837 37.333 7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.595 37.105 7.666 1.00 0.00 H new ATOM 632 N THR A 230 -4.836 36.532 3.966 1.00 0.00 N ATOM 633 CA THR A 230 -4.484 37.058 2.644 1.00 0.00 C ATOM 634 C THR A 230 -3.237 37.964 2.682 1.00 0.00 C ATOM 635 O THR A 230 -2.642 38.229 1.638 1.00 0.00 O ATOM 636 CB THR A 230 -5.717 37.779 2.057 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.496 38.121 0.705 1.00 0.00 O ATOM 638 CG2 THR A 230 -6.115 39.048 2.826 1.00 0.00 C ATOM 0 H THR A 230 -4.735 37.229 4.704 1.00 0.00 H new ATOM 0 HA THR A 230 -4.210 36.228 1.992 1.00 0.00 H new ATOM 0 HB THR A 230 -6.539 37.069 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.533 38.142 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 230 -6.988 39.500 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 230 -6.352 38.789 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 230 -5.287 39.757 2.811 1.00 0.00 H new ATOM 646 N THR A 231 -2.816 38.403 3.878 1.00 0.00 N ATOM 647 CA THR A 231 -1.628 39.218 4.125 1.00 0.00 C ATOM 648 C THR A 231 -1.070 38.807 5.491 1.00 0.00 C ATOM 649 O THR A 231 -1.842 38.582 6.424 1.00 0.00 O ATOM 650 CB THR A 231 -1.997 40.717 4.119 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.629 41.080 2.908 1.00 0.00 O ATOM 652 CG2 THR A 231 -0.772 41.623 4.299 1.00 0.00 C ATOM 0 H THR A 231 -3.322 38.186 4.737 1.00 0.00 H new ATOM 0 HA THR A 231 -0.883 39.061 3.345 1.00 0.00 H new ATOM 0 HB THR A 231 -2.673 40.859 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.854 42.034 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.086 42.667 4.287 1.00 0.00 H new ATOM 0 HG22 THR A 231 -0.291 41.399 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 231 -0.067 41.448 3.486 1.00 0.00 H new ATOM 660 N LYS A 232 0.263 38.710 5.607 1.00 0.00 N ATOM 661 CA LYS A 232 0.929 38.270 6.829 1.00 0.00 C ATOM 662 C LYS A 232 0.779 39.330 7.939 1.00 0.00 C ATOM 663 O LYS A 232 1.264 40.449 7.759 1.00 0.00 O ATOM 664 CB LYS A 232 2.414 37.979 6.543 1.00 0.00 C ATOM 665 CG LYS A 232 3.020 37.111 7.661 1.00 0.00 C ATOM 666 CD LYS A 232 4.491 36.734 7.437 1.00 0.00 C ATOM 667 CE LYS A 232 4.663 35.763 6.266 1.00 0.00 C ATOM 668 NZ LYS A 232 6.058 35.303 6.143 1.00 0.00 N ATOM 0 H LYS A 232 0.907 38.937 4.849 1.00 0.00 H new ATOM 0 HA LYS A 232 0.457 37.351 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.512 37.469 5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 232 2.965 38.916 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 232 2.933 37.645 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.433 36.198 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.072 37.637 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 232 4.892 36.282 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 232 4.007 34.904 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 232 4.357 36.251 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.138 34.647 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 6.681 36.121 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 6.341 34.816 7.017 1.00 0.00 H new ATOM 682 N PRO A 233 0.153 39.007 9.089 1.00 0.00 N ATOM 683 CA PRO A 233 0.137 39.870 10.267 1.00 0.00 C ATOM 684 C PRO A 233 1.471 39.772 11.031 1.00 0.00 C ATOM 685 O PRO A 233 2.320 38.935 10.720 1.00 0.00 O ATOM 686 CB PRO A 233 -1.031 39.344 11.109 1.00 0.00 C ATOM 687 CG PRO A 233 -0.978 37.842 10.846 1.00 0.00 C ATOM 688 CD PRO A 233 -0.542 37.761 9.383 1.00 0.00 C ATOM 0 HA PRO A 233 0.016 40.924 10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.905 39.575 12.167 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.982 39.777 10.799 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -0.269 37.342 11.506 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.948 37.371 11.004 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.112 36.904 9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.404 37.634 8.728 1.00 0.00 H new ATOM 696 N ARG A 234 1.631 40.598 12.072 1.00 0.00 N ATOM 697 CA ARG A 234 2.740 40.507 13.011 1.00 0.00 C ATOM 698 C ARG A 234 2.230 40.845 14.408 1.00 0.00 C ATOM 699 O ARG A 234 1.527 41.832 14.623 1.00 0.00 O ATOM 700 CB ARG A 234 3.882 41.418 12.560 1.00 0.00 C ATOM 701 CG ARG A 234 5.111 41.347 13.482 1.00 0.00 C ATOM 702 CD ARG A 234 6.357 41.982 12.850 1.00 0.00 C ATOM 703 NE ARG A 234 6.166 43.407 12.524 1.00 0.00 N ATOM 704 CZ ARG A 234 5.919 43.921 11.308 1.00 0.00 C ATOM 705 NH1 ARG A 234 5.806 43.153 10.220 1.00 0.00 N ATOM 706 NH2 ARG A 234 5.777 45.239 11.174 1.00 0.00 N ATOM 0 H ARG A 234 0.982 41.356 12.283 1.00 0.00 H new ATOM 0 HA ARG A 234 3.142 39.494 13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.179 41.144 11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.524 42.447 12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 234 4.886 41.852 14.421 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.321 40.305 13.723 1.00 0.00 H new ATOM 0 HD2 ARG A 234 7.199 41.880 13.535 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.617 41.437 11.942 1.00 0.00 H new ATOM 0 HE ARG A 234 6.228 44.068 13.298 1.00 0.00 H new ATOM 0 HH11 ARG A 234 5.908 42.141 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 234 5.618 43.579 9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 234 5.856 45.846 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 234 5.589 45.641 10.256 1.00 0.00 H new ATOM 720 N GLY A 235 2.597 39.956 15.327 1.00 0.00 N ATOM 721 CA GLY A 235 2.099 39.871 16.693 1.00 0.00 C ATOM 722 C GLY A 235 1.581 38.459 16.986 1.00 0.00 C ATOM 723 O GLY A 235 1.702 37.552 16.160 1.00 0.00 O ATOM 0 H GLY A 235 3.290 39.235 15.125 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.894 40.126 17.393 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.299 40.597 16.841 1.00 0.00 H new ATOM 727 N LYS A 236 0.989 38.285 18.174 1.00 0.00 N ATOM 728 CA LYS A 236 0.347 37.051 18.593 1.00 0.00 C ATOM 729 C LYS A 236 -0.895 36.769 17.742 1.00 0.00 C ATOM 730 O LYS A 236 -1.780 37.609 17.582 1.00 0.00 O ATOM 731 CB LYS A 236 0.037 37.082 20.100 1.00 0.00 C ATOM 732 CG LYS A 236 -0.832 38.250 20.597 1.00 0.00 C ATOM 733 CD LYS A 236 -0.979 38.182 22.122 1.00 0.00 C ATOM 734 CE LYS A 236 -1.829 39.349 22.628 1.00 0.00 C ATOM 735 NZ LYS A 236 -1.958 39.323 24.097 1.00 0.00 N ATOM 0 H LYS A 236 0.947 39.020 18.880 1.00 0.00 H new ATOM 0 HA LYS A 236 1.036 36.223 18.429 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.461 36.149 20.365 1.00 0.00 H new ATOM 0 HB3 LYS A 236 0.982 37.105 20.643 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.380 39.199 20.309 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.814 38.209 20.126 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -1.441 37.237 22.407 1.00 0.00 H new ATOM 0 HD3 LYS A 236 0.005 38.210 22.590 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -1.378 40.291 22.317 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -2.819 39.304 22.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -2.540 40.127 24.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -2.411 38.434 24.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.015 39.390 24.530 1.00 0.00 H new ATOM 749 N TRP A 237 -0.931 35.544 17.220 1.00 0.00 N ATOM 750 CA TRP A 237 -1.983 34.966 16.406 1.00 0.00 C ATOM 751 C TRP A 237 -2.266 33.544 16.889 1.00 0.00 C ATOM 752 O TRP A 237 -1.363 32.802 17.275 1.00 0.00 O ATOM 753 CB TRP A 237 -1.524 34.957 14.946 1.00 0.00 C ATOM 754 CG TRP A 237 -2.349 34.137 14.004 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.440 34.535 13.327 1.00 0.00 C ATOM 756 CD2 TRP A 237 -2.160 32.742 13.644 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.954 33.479 12.594 1.00 0.00 N ATOM 758 CE2 TRP A 237 -3.199 32.332 12.759 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.189 31.791 13.990 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -3.281 31.012 12.272 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.261 30.480 13.498 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.312 30.075 12.678 1.00 0.00 C ATOM 0 H TRP A 237 -0.166 34.886 17.370 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.898 35.552 16.489 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.509 35.985 14.584 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.498 34.592 14.911 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.855 35.532 13.351 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.785 33.539 12.006 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.376 32.072 14.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -4.074 30.724 11.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.488 29.772 13.759 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.383 29.047 12.355 1.00 0.00 H new ATOM 773 N PHE A 238 -3.544 33.169 16.810 1.00 0.00 N ATOM 774 CA PHE A 238 -4.062 31.893 17.275 1.00 0.00 C ATOM 775 C PHE A 238 -4.916 31.257 16.180 1.00 0.00 C ATOM 776 O PHE A 238 -5.848 31.860 15.650 1.00 0.00 O ATOM 777 CB PHE A 238 -4.823 32.094 18.592 1.00 0.00 C ATOM 778 CG PHE A 238 -3.908 32.330 19.782 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.454 33.628 20.090 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.481 31.241 20.566 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.573 33.831 21.167 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.596 31.444 21.640 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.140 32.739 21.939 1.00 0.00 C ATOM 0 H PHE A 238 -4.265 33.768 16.407 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.246 31.201 17.483 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.499 32.943 18.488 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.440 31.217 18.785 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.783 34.469 19.498 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -3.835 30.246 20.342 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.229 34.827 21.401 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.267 30.605 22.235 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.457 32.895 22.761 1.00 0.00 H new ATOM 793 N CYS A 239 -4.523 30.022 15.849 1.00 0.00 N ATOM 794 CA CYS A 239 -4.991 29.195 14.743 1.00 0.00 C ATOM 795 C CYS A 239 -6.496 28.846 14.785 1.00 0.00 C ATOM 796 O CYS A 239 -7.167 29.167 15.767 1.00 0.00 O ATOM 797 CB CYS A 239 -4.034 27.994 14.722 1.00 0.00 C ATOM 798 SG CYS A 239 -4.515 26.680 15.872 1.00 0.00 S ATOM 0 H CYS A 239 -3.810 29.540 16.397 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.955 29.735 13.797 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.994 27.587 13.712 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -3.028 28.334 14.969 1.00 0.00 H new ATOM 0 HG CYS A 239 -4.042 25.543 15.454 1.00 0.00 H new ATOM 804 N PRO A 240 -7.059 28.207 13.734 1.00 0.00 N ATOM 805 CA PRO A 240 -8.501 27.984 13.598 1.00 0.00 C ATOM 806 C PRO A 240 -9.080 26.865 14.478 1.00 0.00 C ATOM 807 O PRO A 240 -10.235 26.482 14.294 1.00 0.00 O ATOM 808 CB PRO A 240 -8.742 27.732 12.105 1.00 0.00 C ATOM 809 CG PRO A 240 -7.438 27.075 11.668 1.00 0.00 C ATOM 810 CD PRO A 240 -6.388 27.787 12.512 1.00 0.00 C ATOM 0 HA PRO A 240 -9.034 28.861 13.964 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.601 27.082 11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.932 28.658 11.562 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.445 26.001 11.856 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -7.257 27.210 10.602 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.554 27.122 12.736 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.978 28.645 11.979 1.00 0.00 H new ATOM 818 N ARG A 241 -8.304 26.385 15.457 1.00 0.00 N ATOM 819 CA ARG A 241 -8.737 25.498 16.527 1.00 0.00 C ATOM 820 C ARG A 241 -8.389 26.085 17.907 1.00 0.00 C ATOM 821 O ARG A 241 -8.443 25.374 18.909 1.00 0.00 O ATOM 822 CB ARG A 241 -8.194 24.075 16.316 1.00 0.00 C ATOM 823 CG ARG A 241 -8.656 23.466 14.976 1.00 0.00 C ATOM 824 CD ARG A 241 -8.816 21.944 15.056 1.00 0.00 C ATOM 825 NE ARG A 241 -9.987 21.602 15.878 1.00 0.00 N ATOM 826 CZ ARG A 241 -10.329 20.392 16.334 1.00 0.00 C ATOM 827 NH1 ARG A 241 -9.614 19.302 16.044 1.00 0.00 N ATOM 828 NH2 ARG A 241 -11.414 20.284 17.100 1.00 0.00 N ATOM 0 H ARG A 241 -7.313 26.619 15.522 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.824 25.417 16.497 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -7.105 24.096 16.347 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.524 23.437 17.136 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -9.605 23.914 14.683 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.933 23.713 14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -8.931 21.529 14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -7.918 21.498 15.484 1.00 0.00 H new ATOM 0 HE ARG A 241 -10.607 22.373 16.128 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -8.781 19.379 15.460 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -9.900 18.393 16.407 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -11.963 21.113 17.326 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -11.695 19.372 17.460 1.00 0.00 H new ATOM 842 N CYS A 242 -8.031 27.381 17.957 1.00 0.00 N ATOM 843 CA CYS A 242 -7.561 28.087 19.128 1.00 0.00 C ATOM 844 C CYS A 242 -8.189 29.474 19.305 1.00 0.00 C ATOM 845 O CYS A 242 -8.218 29.967 20.432 1.00 0.00 O ATOM 846 CB CYS A 242 -6.045 28.226 18.992 1.00 0.00 C ATOM 847 SG CYS A 242 -5.216 26.637 19.258 1.00 0.00 S ATOM 0 H CYS A 242 -8.069 27.980 17.132 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.850 27.516 20.010 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.799 28.606 18.000 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.678 28.956 19.713 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.736 26.204 18.130 1.00 0.00 H new ATOM 853 N SER A 243 -8.708 30.095 18.234 1.00 0.00 N ATOM 854 CA SER A 243 -9.410 31.375 18.330 1.00 0.00 C ATOM 855 C SER A 243 -10.460 31.553 17.234 1.00 0.00 C ATOM 856 O SER A 243 -11.564 32.013 17.528 1.00 0.00 O ATOM 857 CB SER A 243 -8.388 32.517 18.287 1.00 0.00 C ATOM 858 OG SER A 243 -9.016 33.764 18.500 1.00 0.00 O ATOM 0 H SER A 243 -8.651 29.723 17.286 1.00 0.00 H new ATOM 0 HA SER A 243 -9.947 31.391 19.278 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.624 32.355 19.048 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.881 32.521 17.322 1.00 0.00 H new ATOM 0 HG SER A 243 -8.345 34.478 18.470 1.00 0.00 H new ATOM 864 N GLN A 244 -10.136 31.169 15.991 1.00 0.00 N ATOM 865 CA GLN A 244 -11.051 31.330 14.854 1.00 0.00 C ATOM 866 C GLN A 244 -12.156 30.256 14.857 1.00 0.00 C ATOM 867 O GLN A 244 -13.165 30.428 14.176 1.00 0.00 O ATOM 868 CB GLN A 244 -10.256 31.373 13.530 1.00 0.00 C ATOM 869 CG GLN A 244 -10.872 32.259 12.432 1.00 0.00 C ATOM 870 CD GLN A 244 -12.039 31.614 11.679 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.991 30.445 11.308 1.00 0.00 O ATOM 872 NE2 GLN A 244 -13.100 32.381 11.428 1.00 0.00 N ATOM 0 H GLN A 244 -9.242 30.743 15.748 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.567 32.285 14.953 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.247 31.729 13.740 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.162 30.357 13.146 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.217 33.189 12.884 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -10.094 32.522 11.715 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -13.116 33.350 11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -13.896 31.999 10.917 1.00 0.00 H new ATOM 881 N GLU A 245 -12.003 29.188 15.662 1.00 0.00 N ATOM 882 CA GLU A 245 -12.971 28.097 15.798 1.00 0.00 C ATOM 883 C GLU A 245 -14.359 28.573 16.262 1.00 0.00 C ATOM 884 O GLU A 245 -15.364 27.949 15.925 1.00 0.00 O ATOM 885 CB GLU A 245 -12.394 27.070 16.787 1.00 0.00 C ATOM 886 CG GLU A 245 -13.038 25.682 16.643 1.00 0.00 C ATOM 887 CD GLU A 245 -12.297 24.616 17.457 1.00 0.00 C ATOM 888 OE1 GLU A 245 -12.100 24.848 18.670 1.00 0.00 O ATOM 889 OE2 GLU A 245 -11.934 23.580 16.855 1.00 0.00 O ATOM 0 H GLU A 245 -11.179 29.062 16.249 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.126 27.651 14.815 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.319 26.985 16.630 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.540 27.430 17.805 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -14.077 25.729 16.969 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -13.047 25.394 15.592 1.00 0.00 H new