USER MOD reduce.3.24.130724 H: found=0, std=0, add=330, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 328 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 284 SER OG : rot 180:sc= 0.444 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.11 K(o=1.6,f=0.9) USER MOD Set 2.1: A 259 CYS SG : rot -178:sc= 1.11 USER MOD Set 2.2: A 264 CYS SG : rot 148:sc= 2.01 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 136:sc= 1.11 (180deg=-0.139) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 2.88 USER MOD Set 2.5: A 296 CYS SG : rot -9:sc= 1.29 USER MOD Single : A 258 GLN : amide:sc= 0.526 K(o=0.53,f=-0.94) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.73) USER MOD Single : A 277 SER OG : rot -33:sc= 0.00582 USER MOD Single : A 282 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.04) USER MOD Single : A 288 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.43) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 292 GLN : amide:sc= 1.1 K(o=1.1,f=-0.28) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.471 0.556 -5.016 1.00 0.00 N ATOM 195 CA VAL A 255 0.109 0.942 -4.625 1.00 0.00 C ATOM 196 C VAL A 255 -0.102 0.676 -3.133 1.00 0.00 C ATOM 197 O VAL A 255 0.304 -0.366 -2.613 1.00 0.00 O ATOM 198 CB VAL A 255 -0.941 0.182 -5.469 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.372 0.679 -5.192 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.646 0.319 -6.975 1.00 0.00 C ATOM 0 HA VAL A 255 -0.018 2.008 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.873 -0.866 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.077 0.118 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.611 0.532 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.442 1.739 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.400 -0.225 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.669 1.372 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.340 -0.093 -7.192 1.00 0.00 H new ATOM 210 N TRP A 256 -0.763 1.619 -2.461 1.00 0.00 N ATOM 211 CA TRP A 256 -1.081 1.568 -1.035 1.00 0.00 C ATOM 212 C TRP A 256 -2.544 1.975 -0.785 1.00 0.00 C ATOM 213 O TRP A 256 -3.081 2.851 -1.470 1.00 0.00 O ATOM 214 CB TRP A 256 -0.134 2.498 -0.268 1.00 0.00 C ATOM 215 CG TRP A 256 1.333 2.220 -0.307 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.177 2.543 -1.311 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.161 1.609 0.730 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.464 2.196 -0.956 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.514 1.601 0.284 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.903 1.063 2.003 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.561 1.070 1.053 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.938 0.497 2.768 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.265 0.504 2.303 1.00 0.00 C ATOM 0 H TRP A 256 -1.103 2.469 -2.911 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.951 0.545 -0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.289 3.510 -0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.443 2.495 0.777 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.889 3.001 -2.246 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.282 2.361 -1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.897 1.079 2.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.578 1.096 0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.711 0.051 3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.053 0.076 2.905 1.00 0.00 H new ATOM 234 N VAL A 257 -3.169 1.358 0.220 1.00 0.00 N ATOM 235 CA VAL A 257 -4.603 1.508 0.549 1.00 0.00 C ATOM 236 C VAL A 257 -4.800 1.813 2.027 1.00 0.00 C ATOM 237 O VAL A 257 -4.271 1.097 2.874 1.00 0.00 O ATOM 238 CB VAL A 257 -5.418 0.239 0.206 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.853 0.256 -1.257 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.675 -1.075 0.502 1.00 0.00 C ATOM 0 H VAL A 257 -2.684 0.720 0.851 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.964 2.339 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.289 0.266 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.425 -0.646 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.473 1.133 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.972 0.293 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.310 -1.920 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.756 -1.113 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.432 -1.124 1.563 1.00 0.00 H new ATOM 250 N GLN A 258 -5.562 2.867 2.333 1.00 0.00 N ATOM 251 CA GLN A 258 -5.866 3.255 3.708 1.00 0.00 C ATOM 252 C GLN A 258 -7.137 2.563 4.218 1.00 0.00 C ATOM 253 O GLN A 258 -8.179 2.588 3.557 1.00 0.00 O ATOM 254 CB GLN A 258 -5.983 4.779 3.841 1.00 0.00 C ATOM 255 CG GLN A 258 -5.958 5.194 5.325 1.00 0.00 C ATOM 256 CD GLN A 258 -5.941 6.706 5.545 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.686 7.463 4.940 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.110 7.203 6.439 1.00 0.00 N ATOM 0 H GLN A 258 -5.985 3.474 1.631 1.00 0.00 H new ATOM 0 HA GLN A 258 -5.035 2.925 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.163 5.261 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.908 5.121 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.831 4.774 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.079 4.758 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.482 6.584 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.094 8.207 6.618 1.00 0.00 H new ATOM 267 N CYS A 259 -7.043 1.996 5.423 1.00 0.00 N ATOM 268 CA CYS A 259 -8.143 1.395 6.169 1.00 0.00 C ATOM 269 C CYS A 259 -9.341 2.360 6.344 1.00 0.00 C ATOM 270 O CYS A 259 -9.172 3.546 6.651 1.00 0.00 O ATOM 271 CB CYS A 259 -7.569 0.964 7.523 1.00 0.00 C ATOM 272 SG CYS A 259 -8.725 -0.158 8.347 1.00 0.00 S ATOM 0 H CYS A 259 -6.157 1.943 5.925 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.544 0.543 5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.608 0.471 7.381 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.389 1.839 8.148 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.253 -0.488 9.512 1.00 0.00 H new ATOM 277 N SER A 260 -10.561 1.856 6.162 1.00 0.00 N ATOM 278 CA SER A 260 -11.808 2.626 6.289 1.00 0.00 C ATOM 279 C SER A 260 -12.107 3.105 7.720 1.00 0.00 C ATOM 280 O SER A 260 -12.847 4.079 7.892 1.00 0.00 O ATOM 281 CB SER A 260 -13.001 1.816 5.747 1.00 0.00 C ATOM 282 OG SER A 260 -13.141 0.556 6.393 1.00 0.00 O ATOM 0 H SER A 260 -10.719 0.879 5.916 1.00 0.00 H new ATOM 0 HA SER A 260 -11.661 3.525 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.917 2.392 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.874 1.660 4.676 1.00 0.00 H new ATOM 0 HG SER A 260 -13.911 0.080 6.017 1.00 0.00 H new ATOM 288 N PHE A 261 -11.534 2.466 8.750 1.00 0.00 N ATOM 289 CA PHE A 261 -11.712 2.881 10.138 1.00 0.00 C ATOM 290 C PHE A 261 -10.808 4.069 10.512 1.00 0.00 C ATOM 291 O PHE A 261 -9.604 4.039 10.232 1.00 0.00 O ATOM 292 CB PHE A 261 -11.478 1.701 11.083 1.00 0.00 C ATOM 293 CG PHE A 261 -12.495 0.589 10.952 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.795 0.762 11.462 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.136 -0.623 10.335 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.736 -0.278 11.348 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.072 -1.665 10.234 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.375 -1.490 10.732 1.00 0.00 C ATOM 0 H PHE A 261 -10.935 1.648 8.638 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.742 3.220 10.246 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.484 1.293 10.897 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.486 2.066 12.110 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.070 1.691 11.940 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.140 -0.752 9.939 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.736 -0.146 11.734 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.791 -2.601 9.774 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.099 -2.286 10.642 1.00 0.00 H new ATOM 308 N PRO A 262 -11.361 5.083 11.206 1.00 0.00 N ATOM 309 CA PRO A 262 -10.632 6.277 11.627 1.00 0.00 C ATOM 310 C PRO A 262 -9.635 5.982 12.756 1.00 0.00 C ATOM 311 O PRO A 262 -8.571 6.596 12.814 1.00 0.00 O ATOM 312 CB PRO A 262 -11.724 7.243 12.088 1.00 0.00 C ATOM 313 CG PRO A 262 -12.848 6.339 12.592 1.00 0.00 C ATOM 314 CD PRO A 262 -12.745 5.140 11.661 1.00 0.00 C ATOM 0 HA PRO A 262 -10.024 6.684 10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.363 7.904 12.876 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.063 7.879 11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.706 6.057 13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.822 6.824 12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.020 4.222 12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.426 5.245 10.817 1.00 0.00 H new ATOM 322 N ASN A 263 -9.950 5.008 13.617 1.00 0.00 N ATOM 323 CA ASN A 263 -9.058 4.506 14.671 1.00 0.00 C ATOM 324 C ASN A 263 -7.905 3.618 14.142 1.00 0.00 C ATOM 325 O ASN A 263 -6.987 3.288 14.899 1.00 0.00 O ATOM 326 CB ASN A 263 -9.903 3.785 15.736 1.00 0.00 C ATOM 327 CG ASN A 263 -10.652 2.570 15.188 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.063 1.564 14.816 1.00 0.00 O ATOM 329 ND2 ASN A 263 -11.970 2.635 15.103 1.00 0.00 N ATOM 0 H ASN A 263 -10.854 4.535 13.601 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.555 5.362 15.120 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.254 3.466 16.551 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.622 4.488 16.157 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.496 1.846 14.727 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.460 3.474 15.413 1.00 0.00 H new ATOM 336 N CYS A 264 -7.932 3.273 12.847 1.00 0.00 N ATOM 337 CA CYS A 264 -6.865 2.582 12.126 1.00 0.00 C ATOM 338 C CYS A 264 -6.061 3.612 11.319 1.00 0.00 C ATOM 339 O CYS A 264 -4.977 4.026 11.737 1.00 0.00 O ATOM 340 CB CYS A 264 -7.491 1.491 11.239 1.00 0.00 C ATOM 341 SG CYS A 264 -6.527 -0.041 11.254 1.00 0.00 S ATOM 0 H CYS A 264 -8.735 3.479 12.252 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.174 2.092 12.812 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.505 1.284 11.582 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.570 1.858 10.216 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.325 -1.057 11.111 1.00 0.00 H new ATOM 346 N GLY A 265 -6.605 4.022 10.163 1.00 0.00 N ATOM 347 CA GLY A 265 -5.955 4.917 9.212 1.00 0.00 C ATOM 348 C GLY A 265 -4.675 4.334 8.607 1.00 0.00 C ATOM 349 O GLY A 265 -3.874 5.074 8.036 1.00 0.00 O ATOM 0 H GLY A 265 -7.534 3.728 9.862 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.654 5.152 8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.717 5.856 9.712 1.00 0.00 H new ATOM 353 N LYS A 266 -4.471 3.021 8.745 1.00 0.00 N ATOM 354 CA LYS A 266 -3.259 2.310 8.343 1.00 0.00 C ATOM 355 C LYS A 266 -3.181 2.130 6.824 1.00 0.00 C ATOM 356 O LYS A 266 -4.199 1.856 6.188 1.00 0.00 O ATOM 357 CB LYS A 266 -3.229 0.946 9.042 1.00 0.00 C ATOM 358 CG LYS A 266 -3.044 1.086 10.552 1.00 0.00 C ATOM 359 CD LYS A 266 -2.861 -0.306 11.154 1.00 0.00 C ATOM 360 CE LYS A 266 -2.710 -0.224 12.665 1.00 0.00 C ATOM 361 NZ LYS A 266 -3.974 0.215 13.317 1.00 0.00 N ATOM 0 H LYS A 266 -5.172 2.404 9.155 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.394 2.903 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.157 0.412 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.418 0.345 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.177 1.709 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.910 1.578 10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.718 -0.931 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.981 -0.782 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.417 -1.199 13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.910 0.473 12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.155 -0.373 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.889 1.211 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.763 0.115 12.647 1.00 0.00 H new ATOM 375 N TRP A 267 -1.981 2.237 6.247 1.00 0.00 N ATOM 376 CA TRP A 267 -1.755 2.068 4.811 1.00 0.00 C ATOM 377 C TRP A 267 -1.101 0.715 4.543 1.00 0.00 C ATOM 378 O TRP A 267 0.102 0.559 4.728 1.00 0.00 O ATOM 379 CB TRP A 267 -0.891 3.211 4.273 1.00 0.00 C ATOM 380 CG TRP A 267 -1.531 4.564 4.288 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.561 5.411 5.340 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.236 5.245 3.206 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.201 6.579 4.975 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.634 6.535 3.667 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.582 4.900 1.881 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.317 7.447 2.847 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.276 5.802 1.055 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.626 7.080 1.526 1.00 0.00 C ATOM 0 H TRP A 267 -1.131 2.446 6.770 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.713 2.095 4.292 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.027 3.256 4.859 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.604 2.975 3.248 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.148 5.206 6.317 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.337 7.376 5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.309 3.928 1.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.601 8.418 3.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.543 5.511 0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.131 7.778 0.874 1.00 0.00 H new ATOM 399 N ARG A 268 -1.885 -0.259 4.081 1.00 0.00 N ATOM 400 CA ARG A 268 -1.349 -1.569 3.695 1.00 0.00 C ATOM 401 C ARG A 268 -0.842 -1.527 2.250 1.00 0.00 C ATOM 402 O ARG A 268 -1.384 -0.804 1.401 1.00 0.00 O ATOM 403 CB ARG A 268 -2.358 -2.702 3.926 1.00 0.00 C ATOM 404 CG ARG A 268 -3.010 -2.724 5.321 1.00 0.00 C ATOM 405 CD ARG A 268 -2.051 -2.780 6.512 1.00 0.00 C ATOM 406 NE ARG A 268 -2.831 -2.915 7.752 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.362 -3.069 8.977 1.00 0.00 C ATOM 408 NH1 ARG A 268 -1.086 -2.943 9.270 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.205 -3.340 9.938 1.00 0.00 N ATOM 0 H ARG A 268 -2.894 -0.168 3.964 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.502 -1.792 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -3.145 -2.625 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.854 -3.655 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.632 -1.835 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.675 -3.586 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.367 -3.622 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.442 -1.877 6.547 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.846 -2.887 7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.414 -2.717 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.768 -3.071 10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.200 -3.428 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.868 -3.464 10.893 1.00 0.00 H new ATOM 423 N ARG A 269 0.223 -2.290 2.006 1.00 0.00 N ATOM 424 CA ARG A 269 0.979 -2.368 0.754 1.00 0.00 C ATOM 425 C ARG A 269 0.398 -3.461 -0.156 1.00 0.00 C ATOM 426 O ARG A 269 0.155 -4.577 0.312 1.00 0.00 O ATOM 427 CB ARG A 269 2.440 -2.666 1.138 1.00 0.00 C ATOM 428 CG ARG A 269 3.411 -2.517 -0.034 1.00 0.00 C ATOM 429 CD ARG A 269 4.849 -2.810 0.411 1.00 0.00 C ATOM 430 NE ARG A 269 5.740 -2.996 -0.749 1.00 0.00 N ATOM 431 CZ ARG A 269 7.053 -2.796 -0.786 1.00 0.00 C ATOM 432 NH1 ARG A 269 7.722 -2.353 0.258 1.00 0.00 N ATOM 433 NH2 ARG A 269 7.720 -3.048 -1.891 1.00 0.00 N ATOM 0 H ARG A 269 0.605 -2.909 2.721 1.00 0.00 H new ATOM 0 HA ARG A 269 0.919 -1.435 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.743 -1.993 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.506 -3.681 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.128 -3.198 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.349 -1.506 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.216 -1.989 1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.865 -3.706 1.032 1.00 0.00 H new ATOM 0 HE ARG A 269 5.302 -3.312 -1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 269 7.232 -2.152 1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 269 8.730 -2.211 0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 269 7.229 -3.395 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 269 8.728 -2.896 -1.924 1.00 0.00 H new ATOM 447 N LEU A 270 0.179 -3.158 -1.440 1.00 0.00 N ATOM 448 CA LEU A 270 -0.435 -4.070 -2.421 1.00 0.00 C ATOM 449 C LEU A 270 0.550 -4.519 -3.512 1.00 0.00 C ATOM 450 O LEU A 270 1.604 -3.915 -3.717 1.00 0.00 O ATOM 451 CB LEU A 270 -1.661 -3.391 -3.066 1.00 0.00 C ATOM 452 CG LEU A 270 -2.791 -2.984 -2.105 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.930 -2.412 -2.955 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.330 -4.144 -1.254 1.00 0.00 C ATOM 0 H LEU A 270 0.428 -2.253 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.742 -4.966 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.322 -2.500 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.074 -4.067 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.386 -2.257 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.753 -2.111 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.570 -1.546 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.279 -3.172 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.124 -3.779 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.726 -4.921 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.523 -4.556 -0.648 1.00 0.00 H new ATOM 529 N PRO A 276 -5.773 0.940 -7.952 1.00 0.00 N ATOM 530 CA PRO A 276 -6.712 1.546 -7.012 1.00 0.00 C ATOM 531 C PRO A 276 -8.054 1.961 -7.639 1.00 0.00 C ATOM 532 O PRO A 276 -9.007 2.210 -6.904 1.00 0.00 O ATOM 533 CB PRO A 276 -5.964 2.721 -6.380 1.00 0.00 C ATOM 534 CG PRO A 276 -4.931 3.106 -7.434 1.00 0.00 C ATOM 535 CD PRO A 276 -4.590 1.777 -8.101 1.00 0.00 C ATOM 0 HA PRO A 276 -7.017 0.815 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.636 3.550 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.490 2.435 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.335 3.822 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.051 3.567 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.343 1.920 -9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.723 1.315 -7.630 1.00 0.00 H new ATOM 543 N SER A 277 -8.179 1.971 -8.971 1.00 0.00 N ATOM 544 CA SER A 277 -9.454 2.186 -9.674 1.00 0.00 C ATOM 545 C SER A 277 -10.382 0.948 -9.636 1.00 0.00 C ATOM 546 O SER A 277 -11.578 1.074 -9.911 1.00 0.00 O ATOM 547 CB SER A 277 -9.171 2.633 -11.120 1.00 0.00 C ATOM 548 OG SER A 277 -10.296 3.271 -11.716 1.00 0.00 O ATOM 0 H SER A 277 -7.389 1.829 -9.601 1.00 0.00 H new ATOM 0 HA SER A 277 -9.995 2.973 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.322 3.316 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.888 1.766 -11.718 1.00 0.00 H new ATOM 0 HG SER A 277 -11.121 2.868 -11.373 1.00 0.00 H new ATOM 554 N VAL A 278 -9.874 -0.235 -9.243 1.00 0.00 N ATOM 555 CA VAL A 278 -10.665 -1.484 -9.094 1.00 0.00 C ATOM 556 C VAL A 278 -10.806 -1.939 -7.627 1.00 0.00 C ATOM 557 O VAL A 278 -11.043 -3.118 -7.360 1.00 0.00 O ATOM 558 CB VAL A 278 -10.185 -2.626 -10.031 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.254 -2.201 -11.508 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.775 -3.155 -9.722 1.00 0.00 C ATOM 0 H VAL A 278 -8.887 -0.358 -9.015 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.671 -1.229 -9.426 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.877 -3.446 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.912 -3.021 -12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.283 -1.949 -11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.617 -1.331 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.522 -3.949 -10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.053 -2.344 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.748 -3.548 -8.706 1.00 0.00 H new ATOM 570 N LEU A 279 -10.674 -1.010 -6.666 1.00 0.00 N ATOM 571 CA LEU A 279 -10.784 -1.273 -5.222 1.00 0.00 C ATOM 572 C LEU A 279 -11.993 -0.559 -4.572 1.00 0.00 C ATOM 573 O LEU A 279 -12.430 0.484 -5.076 1.00 0.00 O ATOM 574 CB LEU A 279 -9.449 -0.919 -4.532 1.00 0.00 C ATOM 575 CG LEU A 279 -8.294 -1.867 -4.915 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.980 -1.360 -4.316 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.546 -3.292 -4.390 1.00 0.00 C ATOM 0 H LEU A 279 -10.483 -0.031 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.977 -2.337 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.173 0.103 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.588 -0.945 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.234 -1.889 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.170 -2.035 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.767 -0.362 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.066 -1.321 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.715 -3.937 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.631 -3.270 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.470 -3.680 -4.819 1.00 0.00 H new ATOM 589 N PRO A 280 -12.551 -1.129 -3.482 1.00 0.00 N ATOM 590 CA PRO A 280 -13.812 -0.706 -2.876 1.00 0.00 C ATOM 591 C PRO A 280 -13.669 0.570 -2.041 1.00 0.00 C ATOM 592 O PRO A 280 -12.618 0.842 -1.462 1.00 0.00 O ATOM 593 CB PRO A 280 -14.263 -1.891 -2.011 1.00 0.00 C ATOM 594 CG PRO A 280 -12.963 -2.595 -1.635 1.00 0.00 C ATOM 595 CD PRO A 280 -12.068 -2.342 -2.835 1.00 0.00 C ATOM 0 HA PRO A 280 -14.544 -0.454 -3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.804 -1.555 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.931 -2.554 -2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.534 -2.186 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -13.117 -3.661 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -11.030 -2.225 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.101 -3.186 -3.525 1.00 0.00 H new ATOM 603 N ASP A 281 -14.762 1.334 -1.939 1.00 0.00 N ATOM 604 CA ASP A 281 -14.843 2.577 -1.153 1.00 0.00 C ATOM 605 C ASP A 281 -14.839 2.345 0.373 1.00 0.00 C ATOM 606 O ASP A 281 -14.637 3.284 1.144 1.00 0.00 O ATOM 607 CB ASP A 281 -16.102 3.357 -1.562 1.00 0.00 C ATOM 608 CG ASP A 281 -16.051 3.839 -3.020 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.366 4.853 -3.292 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.716 3.215 -3.883 1.00 0.00 O ATOM 0 H ASP A 281 -15.637 1.103 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.944 3.151 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.978 2.724 -1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.222 4.217 -0.903 1.00 0.00 H new ATOM 615 N ASN A 282 -15.012 1.095 0.809 1.00 0.00 N ATOM 616 CA ASN A 282 -15.014 0.654 2.206 1.00 0.00 C ATOM 617 C ASN A 282 -13.922 -0.408 2.468 1.00 0.00 C ATOM 618 O ASN A 282 -14.084 -1.302 3.300 1.00 0.00 O ATOM 619 CB ASN A 282 -16.441 0.191 2.555 1.00 0.00 C ATOM 620 CG ASN A 282 -16.680 0.069 4.053 1.00 0.00 C ATOM 621 OD1 ASN A 282 -16.927 -1.005 4.591 1.00 0.00 O ATOM 622 ND2 ASN A 282 -16.645 1.180 4.762 1.00 0.00 N ATOM 0 H ASN A 282 -15.163 0.321 0.162 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.753 1.475 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -17.158 0.896 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.629 -0.774 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -16.824 1.150 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -16.439 2.069 4.307 1.00 0.00 H new ATOM 629 N TRP A 283 -12.808 -0.330 1.727 1.00 0.00 N ATOM 630 CA TRP A 283 -11.611 -1.146 1.950 1.00 0.00 C ATOM 631 C TRP A 283 -11.082 -1.005 3.392 1.00 0.00 C ATOM 632 O TRP A 283 -10.996 0.099 3.925 1.00 0.00 O ATOM 633 CB TRP A 283 -10.530 -0.758 0.931 1.00 0.00 C ATOM 634 CG TRP A 283 -9.380 -1.708 0.919 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.229 -2.758 0.080 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.260 -1.768 1.852 1.00 0.00 C ATOM 637 NE1 TRP A 283 -8.116 -3.486 0.454 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.500 -2.937 1.559 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.842 -0.979 2.948 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.395 -3.309 2.331 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.744 -1.353 3.737 1.00 0.00 C ATOM 642 CH2 TRP A 283 -6.034 -2.523 3.433 1.00 0.00 C ATOM 0 H TRP A 283 -12.714 0.314 0.942 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.879 -2.193 1.812 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.973 -0.718 -0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.166 0.244 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.877 -2.991 -0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.791 -4.325 -0.027 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.378 -0.071 3.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.826 -4.192 2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.447 -0.741 4.576 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.202 -2.821 4.054 1.00 0.00 H new ATOM 653 N SER A 284 -10.678 -2.110 4.011 1.00 0.00 N ATOM 654 CA SER A 284 -10.144 -2.181 5.379 1.00 0.00 C ATOM 655 C SER A 284 -9.011 -3.213 5.464 1.00 0.00 C ATOM 656 O SER A 284 -8.821 -3.995 4.529 1.00 0.00 O ATOM 657 CB SER A 284 -11.268 -2.549 6.361 1.00 0.00 C ATOM 658 OG SER A 284 -11.810 -3.840 6.092 1.00 0.00 O ATOM 0 H SER A 284 -10.713 -3.023 3.558 1.00 0.00 H new ATOM 0 HA SER A 284 -9.741 -1.204 5.646 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.882 -2.523 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 284 -12.061 -1.803 6.301 1.00 0.00 H new ATOM 0 HG SER A 284 -12.520 -4.038 6.738 1.00 0.00 H new ATOM 664 N CYS A 285 -8.282 -3.265 6.587 1.00 0.00 N ATOM 665 CA CYS A 285 -7.214 -4.252 6.802 1.00 0.00 C ATOM 666 C CYS A 285 -7.685 -5.710 6.545 1.00 0.00 C ATOM 667 O CYS A 285 -6.909 -6.542 6.076 1.00 0.00 O ATOM 668 CB CYS A 285 -6.659 -4.151 8.235 1.00 0.00 C ATOM 669 SG CYS A 285 -5.979 -2.521 8.649 1.00 0.00 S ATOM 0 H CYS A 285 -8.415 -2.626 7.371 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.433 -4.017 6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.455 -4.391 8.940 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.880 -4.902 8.366 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.916 -1.624 8.557 1.00 0.00 H new ATOM 674 N ASP A 286 -8.962 -6.019 6.802 1.00 0.00 N ATOM 675 CA ASP A 286 -9.587 -7.329 6.551 1.00 0.00 C ATOM 676 C ASP A 286 -9.687 -7.691 5.049 1.00 0.00 C ATOM 677 O ASP A 286 -9.904 -8.852 4.698 1.00 0.00 O ATOM 678 CB ASP A 286 -10.971 -7.335 7.219 1.00 0.00 C ATOM 679 CG ASP A 286 -11.652 -8.714 7.187 1.00 0.00 C ATOM 680 OD1 ASP A 286 -11.167 -9.642 7.877 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.698 -8.852 6.507 1.00 0.00 O ATOM 0 H ASP A 286 -9.612 -5.344 7.204 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.948 -8.099 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.869 -7.011 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.612 -6.609 6.719 1.00 0.00 H new ATOM 686 N GLN A 287 -9.491 -6.712 4.162 1.00 0.00 N ATOM 687 CA GLN A 287 -9.526 -6.837 2.702 1.00 0.00 C ATOM 688 C GLN A 287 -8.109 -6.813 2.086 1.00 0.00 C ATOM 689 O GLN A 287 -7.958 -6.685 0.869 1.00 0.00 O ATOM 690 CB GLN A 287 -10.443 -5.727 2.148 1.00 0.00 C ATOM 691 CG GLN A 287 -11.915 -5.971 2.524 1.00 0.00 C ATOM 692 CD GLN A 287 -12.787 -4.732 2.350 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.241 -4.401 1.262 1.00 0.00 O ATOM 694 NE2 GLN A 287 -13.047 -3.991 3.406 1.00 0.00 N ATOM 0 H GLN A 287 -9.292 -5.757 4.460 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.936 -7.807 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -10.122 -4.761 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.346 -5.681 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.313 -6.778 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.969 -6.304 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.675 -4.255 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.620 -3.153 3.312 1.00 0.00 H new ATOM 703 N ASN A 288 -7.058 -6.952 2.906 1.00 0.00 N ATOM 704 CA ASN A 288 -5.666 -6.988 2.452 1.00 0.00 C ATOM 705 C ASN A 288 -5.285 -8.297 1.740 1.00 0.00 C ATOM 706 O ASN A 288 -5.803 -9.374 2.058 1.00 0.00 O ATOM 707 CB ASN A 288 -4.724 -6.735 3.644 1.00 0.00 C ATOM 708 CG ASN A 288 -3.338 -6.289 3.191 1.00 0.00 C ATOM 709 OD1 ASN A 288 -3.193 -5.477 2.290 1.00 0.00 O ATOM 710 ND2 ASN A 288 -2.281 -6.834 3.759 1.00 0.00 N ATOM 0 H ASN A 288 -7.155 -7.044 3.917 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.557 -6.197 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -5.156 -5.973 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.636 -7.646 4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.345 -6.577 3.446 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.399 -7.512 4.512 1.00 0.00 H new ATOM 717 N THR A 289 -4.323 -8.201 0.813 1.00 0.00 N ATOM 718 CA THR A 289 -3.739 -9.338 0.086 1.00 0.00 C ATOM 719 C THR A 289 -2.698 -10.103 0.898 1.00 0.00 C ATOM 720 O THR A 289 -2.470 -11.278 0.620 1.00 0.00 O ATOM 721 CB THR A 289 -3.107 -8.862 -1.224 1.00 0.00 C ATOM 722 OG1 THR A 289 -2.223 -7.794 -0.954 1.00 0.00 O ATOM 723 CG2 THR A 289 -4.162 -8.369 -2.213 1.00 0.00 C ATOM 0 H THR A 289 -3.918 -7.306 0.540 1.00 0.00 H new ATOM 0 HA THR A 289 -4.561 -10.025 -0.115 1.00 0.00 H new ATOM 0 HB THR A 289 -2.580 -9.708 -1.665 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.815 -7.488 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.675 -8.039 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.854 -9.180 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.711 -7.536 -1.774 1.00 0.00 H new ATOM 731 N ASP A 290 -2.090 -9.472 1.907 1.00 0.00 N ATOM 732 CA ASP A 290 -1.003 -10.050 2.703 1.00 0.00 C ATOM 733 C ASP A 290 -1.462 -10.446 4.111 1.00 0.00 C ATOM 734 O ASP A 290 -1.887 -9.596 4.897 1.00 0.00 O ATOM 735 CB ASP A 290 0.181 -9.070 2.797 1.00 0.00 C ATOM 736 CG ASP A 290 1.542 -9.780 2.754 1.00 0.00 C ATOM 737 OD1 ASP A 290 1.601 -11.005 3.011 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.558 -9.093 2.506 1.00 0.00 O ATOM 0 H ASP A 290 -2.344 -8.528 2.199 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.684 -10.957 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.122 -8.356 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.102 -8.499 3.722 1.00 0.00 H new ATOM 743 N VAL A 291 -1.326 -11.731 4.446 1.00 0.00 N ATOM 744 CA VAL A 291 -1.807 -12.315 5.717 1.00 0.00 C ATOM 745 C VAL A 291 -1.041 -11.816 6.949 1.00 0.00 C ATOM 746 O VAL A 291 -1.542 -11.902 8.068 1.00 0.00 O ATOM 747 CB VAL A 291 -1.780 -13.861 5.708 1.00 0.00 C ATOM 748 CG1 VAL A 291 -2.659 -14.412 4.576 1.00 0.00 C ATOM 749 CG2 VAL A 291 -0.353 -14.428 5.585 1.00 0.00 C ATOM 0 H VAL A 291 -0.872 -12.413 3.838 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.839 -11.972 5.793 1.00 0.00 H new ATOM 0 HB VAL A 291 -2.179 -14.184 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -2.626 -15.501 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.687 -14.078 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -2.289 -14.048 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 291 -0.393 -15.517 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.098 -14.080 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.248 -14.088 6.429 1.00 0.00 H new ATOM 759 N GLN A 292 0.163 -11.273 6.742 1.00 0.00 N ATOM 760 CA GLN A 292 0.975 -10.671 7.803 1.00 0.00 C ATOM 761 C GLN A 292 0.438 -9.322 8.296 1.00 0.00 C ATOM 762 O GLN A 292 0.826 -8.884 9.376 1.00 0.00 O ATOM 763 CB GLN A 292 2.456 -10.582 7.403 1.00 0.00 C ATOM 764 CG GLN A 292 2.767 -10.309 5.926 1.00 0.00 C ATOM 765 CD GLN A 292 4.224 -9.897 5.669 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.121 -10.068 6.490 1.00 0.00 O ATOM 767 NE2 GLN A 292 4.530 -9.336 4.519 1.00 0.00 N ATOM 0 H GLN A 292 0.605 -11.239 5.823 1.00 0.00 H new ATOM 0 HA GLN A 292 0.899 -11.348 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 292 2.920 -9.795 7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 292 2.938 -11.519 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.544 -11.204 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.106 -9.521 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 292 3.805 -9.182 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.492 -9.056 4.328 1.00 0.00 H new ATOM 776 N TYR A 293 -0.476 -8.692 7.549 1.00 0.00 N ATOM 777 CA TYR A 293 -1.096 -7.404 7.896 1.00 0.00 C ATOM 778 C TYR A 293 -2.601 -7.346 7.553 1.00 0.00 C ATOM 779 O TYR A 293 -3.158 -6.274 7.318 1.00 0.00 O ATOM 780 CB TYR A 293 -0.291 -6.255 7.264 1.00 0.00 C ATOM 781 CG TYR A 293 1.155 -6.152 7.718 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.178 -6.861 7.057 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.476 -5.345 8.823 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.512 -6.755 7.492 1.00 0.00 C ATOM 785 CE2 TYR A 293 2.806 -5.229 9.263 1.00 0.00 C ATOM 786 CZ TYR A 293 3.832 -5.936 8.599 1.00 0.00 C ATOM 787 OH TYR A 293 5.120 -5.827 9.032 1.00 0.00 O ATOM 0 H TYR A 293 -0.814 -9.071 6.665 1.00 0.00 H new ATOM 0 HA TYR A 293 -1.059 -7.290 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 293 -0.307 -6.374 6.181 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.793 -5.314 7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 293 1.937 -7.489 6.212 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.693 -4.809 9.339 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.292 -7.299 6.980 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.043 -4.600 10.108 1.00 0.00 H new ATOM 0 HH TYR A 293 5.156 -5.222 9.802 1.00 0.00 H new ATOM 797 N ASN A 294 -3.279 -8.502 7.530 1.00 0.00 N ATOM 798 CA ASN A 294 -4.694 -8.631 7.143 1.00 0.00 C ATOM 799 C ASN A 294 -5.704 -8.378 8.288 1.00 0.00 C ATOM 800 O ASN A 294 -6.856 -8.816 8.216 1.00 0.00 O ATOM 801 CB ASN A 294 -4.934 -9.972 6.429 1.00 0.00 C ATOM 802 CG ASN A 294 -4.977 -11.189 7.357 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.583 -11.147 8.517 1.00 0.00 O ATOM 804 ND2 ASN A 294 -5.471 -12.313 6.868 1.00 0.00 N ATOM 0 H ASN A 294 -2.852 -9.393 7.785 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.893 -7.821 6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.876 -9.914 5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -4.146 -10.122 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -5.524 -13.145 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.799 -12.349 5.903 1.00 0.00 H new ATOM 811 N ARG A 295 -5.271 -7.703 9.361 1.00 0.00 N ATOM 812 CA ARG A 295 -6.074 -7.389 10.549 1.00 0.00 C ATOM 813 C ARG A 295 -5.776 -5.992 11.086 1.00 0.00 C ATOM 814 O ARG A 295 -4.620 -5.597 11.226 1.00 0.00 O ATOM 815 CB ARG A 295 -5.778 -8.408 11.659 1.00 0.00 C ATOM 816 CG ARG A 295 -6.709 -9.623 11.630 1.00 0.00 C ATOM 817 CD ARG A 295 -6.266 -10.605 12.718 1.00 0.00 C ATOM 818 NE ARG A 295 -7.213 -11.723 12.864 1.00 0.00 N ATOM 819 CZ ARG A 295 -7.131 -12.707 13.754 1.00 0.00 C ATOM 820 NH1 ARG A 295 -6.147 -12.778 14.629 1.00 0.00 N ATOM 821 NH2 ARG A 295 -8.051 -13.645 13.778 1.00 0.00 N ATOM 0 H ARG A 295 -4.317 -7.348 9.427 1.00 0.00 H new ATOM 0 HA ARG A 295 -7.122 -7.432 10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.746 -8.747 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.865 -7.915 12.627 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.740 -9.313 11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.675 -10.102 10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -5.278 -10.995 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -6.176 -10.078 13.668 1.00 0.00 H new ATOM 0 HE ARG A 295 -8.006 -11.744 12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.419 -12.064 14.636 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -6.114 -13.547 15.298 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.825 -13.617 13.115 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.991 -14.401 14.460 1.00 0.00 H new ATOM 835 N CYS A 296 -6.833 -5.307 11.512 1.00 0.00 N ATOM 836 CA CYS A 296 -6.805 -4.001 12.167 1.00 0.00 C ATOM 837 C CYS A 296 -6.068 -3.958 13.523 1.00 0.00 C ATOM 838 O CYS A 296 -5.703 -2.884 14.006 1.00 0.00 O ATOM 839 CB CYS A 296 -8.269 -3.601 12.348 1.00 0.00 C ATOM 840 SG CYS A 296 -8.871 -2.800 10.841 1.00 0.00 S ATOM 0 H CYS A 296 -7.782 -5.666 11.405 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.236 -3.313 11.542 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.872 -4.481 12.570 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.369 -2.924 13.196 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.873 -2.585 10.036 1.00 0.00 H new ATOM 845 N ASP A 297 -5.826 -5.123 14.124 1.00 0.00 N ATOM 846 CA ASP A 297 -5.130 -5.280 15.401 1.00 0.00 C ATOM 847 C ASP A 297 -3.617 -5.476 15.189 1.00 0.00 C ATOM 848 O ASP A 297 -2.853 -5.604 16.145 1.00 0.00 O ATOM 849 CB ASP A 297 -5.802 -6.441 16.145 1.00 0.00 C ATOM 850 CG ASP A 297 -5.339 -6.577 17.607 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.542 -5.621 18.393 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.818 -7.657 17.975 1.00 0.00 O ATOM 0 H ASP A 297 -6.119 -6.013 13.722 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.209 -4.380 16.010 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.883 -6.299 16.125 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.593 -7.371 15.617 1.00 0.00 H new ATOM 857 N ILE A 298 -3.177 -5.466 13.923 1.00 0.00 N ATOM 858 CA ILE A 298 -1.774 -5.557 13.522 1.00 0.00 C ATOM 859 C ILE A 298 -1.249 -4.144 13.233 1.00 0.00 C ATOM 860 O ILE A 298 -1.894 -3.405 12.476 1.00 0.00 O ATOM 861 CB ILE A 298 -1.581 -6.489 12.304 1.00 0.00 C ATOM 862 CG1 ILE A 298 -2.197 -7.868 12.614 1.00 0.00 C ATOM 863 CG2 ILE A 298 -0.086 -6.620 11.984 1.00 0.00 C ATOM 864 CD1 ILE A 298 -2.034 -8.914 11.504 1.00 0.00 C ATOM 0 H ILE A 298 -3.811 -5.392 13.128 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.201 -5.998 14.338 1.00 0.00 H new ATOM 0 HB ILE A 298 -2.083 -6.068 11.433 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.744 -8.255 13.527 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.260 -7.737 12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.046 -7.278 11.125 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.325 -5.637 11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.435 -7.039 12.845 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.499 -9.850 11.815 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.513 -8.556 10.593 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.974 -9.081 11.314 1.00 0.00 H new ATOM 876 N PRO A 299 -0.082 -3.774 13.790 1.00 0.00 N ATOM 877 CA PRO A 299 0.543 -2.474 13.582 1.00 0.00 C ATOM 878 C PRO A 299 0.956 -2.264 12.124 1.00 0.00 C ATOM 879 O PRO A 299 1.046 -3.211 11.345 1.00 0.00 O ATOM 880 CB PRO A 299 1.751 -2.466 14.522 1.00 0.00 C ATOM 881 CG PRO A 299 2.123 -3.937 14.680 1.00 0.00 C ATOM 882 CD PRO A 299 0.768 -4.631 14.605 1.00 0.00 C ATOM 0 HA PRO A 299 -0.145 -1.656 13.796 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.576 -1.891 14.102 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.503 -2.014 15.482 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.795 -4.273 13.890 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.625 -4.129 15.628 1.00 0.00 H new ATOM 0 HD2 PRO A 299 0.862 -5.622 14.161 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.344 -4.767 15.600 1.00 0.00 H new ATOM 890 N GLU A 300 1.200 -1.010 11.743 1.00 0.00 N ATOM 891 CA GLU A 300 1.635 -0.660 10.397 1.00 0.00 C ATOM 892 C GLU A 300 3.103 -1.073 10.136 1.00 0.00 C ATOM 893 O GLU A 300 3.956 -1.020 11.028 1.00 0.00 O ATOM 894 CB GLU A 300 1.369 0.839 10.175 1.00 0.00 C ATOM 895 CG GLU A 300 0.664 1.122 8.852 1.00 0.00 C ATOM 896 CD GLU A 300 1.482 0.697 7.631 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.394 -0.501 7.266 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.204 1.553 7.072 1.00 0.00 O ATOM 0 H GLU A 300 1.100 -0.207 12.364 1.00 0.00 H new ATOM 0 HA GLU A 300 1.060 -1.223 9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.761 1.221 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.315 1.379 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 300 -0.293 0.601 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.448 2.188 8.783 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.112 5.876 1.224 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.059 6.598 0.488 1.00 0.00 C ATOM 1029 C ARG B 2 -7.087 5.631 -0.192 1.00 0.00 C ATOM 1030 O ARG B 2 -6.813 4.534 0.306 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.268 7.581 1.366 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.101 8.802 1.773 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.240 9.825 2.525 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.053 10.938 3.047 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.654 11.856 3.921 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.429 11.874 4.408 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.493 12.786 4.323 1.00 0.00 N ATOM 0 HA ARG B 2 -8.585 7.181 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.922 7.066 2.262 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.381 7.913 0.826 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.532 9.266 0.886 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.932 8.487 2.404 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.725 9.332 3.349 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.472 10.216 1.858 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.011 11.010 2.705 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.753 11.168 4.115 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.157 12.594 5.078 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.448 12.801 3.964 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.189 13.492 4.994 1.00 0.00 H new ATOM 1051 N THR B 3 -6.539 6.097 -1.310 1.00 0.00 N ATOM 1052 CA THR B 3 -5.587 5.402 -2.183 1.00 0.00 C ATOM 1053 C THR B 3 -4.477 6.357 -2.585 1.00 0.00 C ATOM 1054 O THR B 3 -4.694 7.558 -2.759 1.00 0.00 O ATOM 1055 CB THR B 3 -6.284 4.847 -3.435 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.180 5.802 -3.967 1.00 0.00 O ATOM 1057 CG2 THR B 3 -7.057 3.570 -3.110 1.00 0.00 C ATOM 0 H THR B 3 -6.760 7.031 -1.657 1.00 0.00 H new ATOM 0 HA THR B 3 -5.165 4.560 -1.633 1.00 0.00 H new ATOM 0 HB THR B 3 -5.510 4.621 -4.169 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.615 5.434 -4.765 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.541 3.198 -4.013 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.369 2.815 -2.730 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.814 3.785 -2.355 1.00 0.00 H new