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= 0.461 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.05 X(o=1.5,f=1) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.11 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.26 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 141:sc= 1.39 (180deg=-0.111) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 3.17 USER MOD Set 2.5: A 296 CYS SG : rot -8:sc= 1.33 USER MOD Single : A 258 GLN : amide:sc= 0.758 K(o=0.76,f=-1.5) USER MOD Single : A 260 SER OG : rot -170:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0498 K(o=0.05,f=-1.2) USER MOD Single : A 277 SER OG : rot -33:sc= 0.00797 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.46) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.95) USER MOD Single : B 3 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.836 0.677 -5.006 1.00 0.00 N ATOM 195 CA VAL A 255 0.508 1.122 -4.539 1.00 0.00 C ATOM 196 C VAL A 255 0.358 0.855 -3.035 1.00 0.00 C ATOM 197 O VAL A 255 0.708 -0.224 -2.548 1.00 0.00 O ATOM 198 CB VAL A 255 -0.641 0.422 -5.312 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.031 0.946 -4.903 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.504 0.595 -6.835 1.00 0.00 C ATOM 0 HA VAL A 255 0.437 2.193 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.556 -0.632 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.799 0.424 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.187 0.771 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.091 2.015 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.330 0.089 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.525 1.656 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.440 0.163 -7.167 1.00 0.00 H new ATOM 210 N TRP A 256 -0.221 1.824 -2.319 1.00 0.00 N ATOM 211 CA TRP A 256 -0.616 1.718 -0.910 1.00 0.00 C ATOM 212 C TRP A 256 -2.108 2.060 -0.723 1.00 0.00 C ATOM 213 O TRP A 256 -2.675 2.866 -1.465 1.00 0.00 O ATOM 214 CB TRP A 256 0.247 2.652 -0.049 1.00 0.00 C ATOM 215 CG TRP A 256 1.696 2.322 0.117 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.668 2.588 -0.783 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.366 1.703 1.260 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.889 2.193 -0.273 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.763 1.630 0.976 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.941 1.194 2.507 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.688 1.063 1.865 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.851 0.561 3.374 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.222 0.499 3.063 1.00 0.00 C ATOM 0 H TRP A 256 -0.436 2.737 -2.719 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.460 0.687 -0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.180 3.653 -0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.200 2.697 0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.514 3.040 -1.752 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.777 2.305 -0.763 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.906 1.292 2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.742 1.060 1.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.492 0.117 4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.912 0.020 3.742 1.00 0.00 H new ATOM 234 N VAL A 257 -2.721 1.469 0.304 1.00 0.00 N ATOM 235 CA VAL A 257 -4.165 1.547 0.616 1.00 0.00 C ATOM 236 C VAL A 257 -4.384 1.928 2.077 1.00 0.00 C ATOM 237 O VAL A 257 -3.768 1.327 2.954 1.00 0.00 O ATOM 238 CB VAL A 257 -4.880 0.195 0.373 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.374 0.078 -1.065 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.012 -1.031 0.707 1.00 0.00 C ATOM 0 H VAL A 257 -2.210 0.896 0.975 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.581 2.306 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.727 0.195 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -5.871 -0.882 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.077 0.884 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.527 0.149 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.578 -1.942 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.115 -1.022 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -3.726 -0.999 1.758 1.00 0.00 H new ATOM 250 N GLN A 258 -5.263 2.900 2.340 1.00 0.00 N ATOM 251 CA GLN A 258 -5.622 3.314 3.698 1.00 0.00 C ATOM 252 C GLN A 258 -6.907 2.621 4.170 1.00 0.00 C ATOM 253 O GLN A 258 -7.919 2.613 3.464 1.00 0.00 O ATOM 254 CB GLN A 258 -5.763 4.841 3.787 1.00 0.00 C ATOM 255 CG GLN A 258 -5.887 5.313 5.250 1.00 0.00 C ATOM 256 CD GLN A 258 -5.841 6.834 5.406 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.513 7.585 4.711 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.069 7.355 6.337 1.00 0.00 N ATOM 0 H GLN A 258 -5.748 3.424 1.612 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.814 3.007 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -4.898 5.315 3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.641 5.160 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.824 4.941 5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.081 4.871 5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.501 6.747 6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.039 8.366 6.468 1.00 0.00 H new ATOM 267 N CYS A 259 -6.865 2.090 5.396 1.00 0.00 N ATOM 268 CA CYS A 259 -7.995 1.487 6.094 1.00 0.00 C ATOM 269 C CYS A 259 -9.212 2.436 6.191 1.00 0.00 C ATOM 270 O CYS A 259 -9.083 3.625 6.500 1.00 0.00 O ATOM 271 CB CYS A 259 -7.494 1.073 7.482 1.00 0.00 C ATOM 272 SG CYS A 259 -8.686 -0.054 8.260 1.00 0.00 S ATOM 0 H CYS A 259 -6.007 2.070 5.947 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.354 0.623 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.522 0.586 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.355 1.956 8.106 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.295 -0.332 9.468 1.00 0.00 H new ATOM 277 N SER A 260 -10.408 1.904 5.935 1.00 0.00 N ATOM 278 CA SER A 260 -11.675 2.653 5.980 1.00 0.00 C ATOM 279 C SER A 260 -12.063 3.101 7.405 1.00 0.00 C ATOM 280 O SER A 260 -12.727 4.130 7.571 1.00 0.00 O ATOM 281 CB SER A 260 -12.793 1.841 5.309 1.00 0.00 C ATOM 282 OG SER A 260 -14.080 2.438 5.397 1.00 0.00 O ATOM 0 H SER A 260 -10.531 0.923 5.685 1.00 0.00 H new ATOM 0 HA SER A 260 -11.528 3.575 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.542 1.698 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.832 0.852 5.765 1.00 0.00 H new ATOM 0 HG SER A 260 -14.758 1.799 5.093 1.00 0.00 H new ATOM 288 N PHE A 261 -11.611 2.389 8.447 1.00 0.00 N ATOM 289 CA PHE A 261 -11.881 2.761 9.833 1.00 0.00 C ATOM 290 C PHE A 261 -11.055 3.984 10.277 1.00 0.00 C ATOM 291 O PHE A 261 -9.838 4.018 10.059 1.00 0.00 O ATOM 292 CB PHE A 261 -11.629 1.572 10.761 1.00 0.00 C ATOM 293 CG PHE A 261 -12.592 0.421 10.579 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.927 0.548 11.006 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.150 -0.785 10.002 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.819 -0.530 10.848 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.036 -1.864 9.859 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.374 -1.736 10.276 1.00 0.00 C ATOM 0 H PHE A 261 -11.050 1.543 8.348 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.932 3.044 9.897 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.614 1.209 10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.684 1.915 11.794 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.267 1.470 11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.127 -0.880 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.846 -0.431 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.691 -2.793 9.429 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.059 -2.563 10.157 1.00 0.00 H new ATOM 308 N PRO A 262 -11.691 4.963 10.951 1.00 0.00 N ATOM 309 CA PRO A 262 -11.056 6.202 11.393 1.00 0.00 C ATOM 310 C PRO A 262 -10.090 5.983 12.564 1.00 0.00 C ATOM 311 O PRO A 262 -9.068 6.661 12.657 1.00 0.00 O ATOM 312 CB PRO A 262 -12.227 7.098 11.801 1.00 0.00 C ATOM 313 CG PRO A 262 -13.308 6.125 12.269 1.00 0.00 C ATOM 314 CD PRO A 262 -13.093 4.936 11.342 1.00 0.00 C ATOM 0 HA PRO A 262 -10.440 6.640 10.607 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.942 7.787 12.596 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.574 7.704 10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -13.184 5.852 13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.308 6.547 12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.337 4.001 11.847 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.741 5.004 10.468 1.00 0.00 H new ATOM 322 N ASN A 263 -10.380 5.003 13.427 1.00 0.00 N ATOM 323 CA ASN A 263 -9.512 4.563 14.527 1.00 0.00 C ATOM 324 C ASN A 263 -8.308 3.708 14.062 1.00 0.00 C ATOM 325 O ASN A 263 -7.442 3.371 14.873 1.00 0.00 O ATOM 326 CB ASN A 263 -10.366 3.822 15.569 1.00 0.00 C ATOM 327 CG ASN A 263 -11.004 2.553 15.009 1.00 0.00 C ATOM 328 OD1 ASN A 263 -12.006 2.604 14.305 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.440 1.391 15.285 1.00 0.00 N ATOM 0 H ASN A 263 -11.253 4.477 13.378 1.00 0.00 H new ATOM 0 HA ASN A 263 -9.066 5.451 14.976 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.744 3.564 16.426 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -11.149 4.488 15.932 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.838 0.529 14.912 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.606 1.355 15.871 1.00 0.00 H new ATOM 336 N CYS A 264 -8.252 3.379 12.766 1.00 0.00 N ATOM 337 CA CYS A 264 -7.123 2.740 12.093 1.00 0.00 C ATOM 338 C CYS A 264 -6.342 3.810 11.313 1.00 0.00 C ATOM 339 O CYS A 264 -5.309 4.294 11.783 1.00 0.00 O ATOM 340 CB CYS A 264 -7.657 1.615 11.189 1.00 0.00 C ATOM 341 SG CYS A 264 -6.662 0.106 11.287 1.00 0.00 S ATOM 0 H CYS A 264 -9.030 3.561 12.132 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.435 2.287 12.807 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.685 1.386 11.470 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.679 1.964 10.157 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.422 -0.929 11.086 1.00 0.00 H new ATOM 346 N GLY A 265 -6.841 4.170 10.121 1.00 0.00 N ATOM 347 CA GLY A 265 -6.188 5.077 9.183 1.00 0.00 C ATOM 348 C GLY A 265 -4.835 4.560 8.684 1.00 0.00 C ATOM 349 O GLY A 265 -4.047 5.337 8.142 1.00 0.00 O ATOM 0 H GLY A 265 -7.737 3.824 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.845 5.240 8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -6.045 6.045 9.664 1.00 0.00 H new ATOM 353 N LYS A 266 -4.555 3.267 8.870 1.00 0.00 N ATOM 354 CA LYS A 266 -3.275 2.639 8.546 1.00 0.00 C ATOM 355 C LYS A 266 -3.094 2.451 7.041 1.00 0.00 C ATOM 356 O LYS A 266 -4.050 2.101 6.344 1.00 0.00 O ATOM 357 CB LYS A 266 -3.178 1.278 9.240 1.00 0.00 C ATOM 358 CG LYS A 266 -3.096 1.396 10.756 1.00 0.00 C ATOM 359 CD LYS A 266 -2.980 -0.021 11.309 1.00 0.00 C ATOM 360 CE LYS A 266 -3.000 -0.029 12.830 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.331 0.358 13.371 1.00 0.00 N ATOM 0 H LYS A 266 -5.232 2.612 9.261 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.485 3.302 8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.046 0.676 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.298 0.749 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.235 1.996 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.981 1.893 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.801 -0.629 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -2.056 -0.477 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.737 -1.023 13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.242 0.658 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.552 -0.228 14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.315 1.360 13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -5.058 0.212 12.642 1.00 0.00 H new ATOM 375 N TRP A 267 -1.866 2.601 6.550 1.00 0.00 N ATOM 376 CA TRP A 267 -1.502 2.319 5.167 1.00 0.00 C ATOM 377 C TRP A 267 -0.856 0.934 5.076 1.00 0.00 C ATOM 378 O TRP A 267 0.156 0.667 5.728 1.00 0.00 O ATOM 379 CB TRP A 267 -0.597 3.436 4.631 1.00 0.00 C ATOM 380 CG TRP A 267 -1.265 4.772 4.501 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.372 5.694 5.481 1.00 0.00 C ATOM 382 CD2 TRP A 267 -1.949 5.344 3.344 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.039 6.807 5.005 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.420 6.646 3.689 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.231 4.886 2.040 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.116 7.458 2.779 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -2.941 5.685 1.124 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.368 6.975 1.484 1.00 0.00 C ATOM 0 H TRP A 267 -1.082 2.928 7.115 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.391 2.299 4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.263 3.537 5.293 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.215 3.139 3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.993 5.579 6.486 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.226 7.643 5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -1.896 3.904 1.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.453 8.442 3.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.159 5.304 0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -3.888 7.593 0.767 1.00 0.00 H new ATOM 399 N ARG A 268 -1.449 0.057 4.259 1.00 0.00 N ATOM 400 CA ARG A 268 -0.907 -1.260 3.910 1.00 0.00 C ATOM 401 C ARG A 268 -0.432 -1.255 2.451 1.00 0.00 C ATOM 402 O ARG A 268 -0.944 -0.488 1.624 1.00 0.00 O ATOM 403 CB ARG A 268 -1.945 -2.375 4.138 1.00 0.00 C ATOM 404 CG ARG A 268 -2.718 -2.334 5.469 1.00 0.00 C ATOM 405 CD ARG A 268 -1.848 -2.360 6.725 1.00 0.00 C ATOM 406 NE ARG A 268 -2.698 -2.548 7.911 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.301 -2.736 9.158 1.00 0.00 C ATOM 408 NH1 ARG A 268 -1.052 -2.603 9.538 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.190 -3.050 10.060 1.00 0.00 N ATOM 0 H ARG A 268 -2.344 0.249 3.810 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.059 -1.465 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.668 -2.340 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.434 -3.335 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.330 -1.432 5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.401 -3.183 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.118 -3.166 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.288 -1.429 6.811 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.706 -2.531 7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.337 -2.343 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.796 -2.759 10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.171 -3.146 9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.904 -3.199 11.028 1.00 0.00 H new ATOM 423 N ARG A 269 0.555 -2.102 2.156 1.00 0.00 N ATOM 424 CA ARG A 269 1.211 -2.221 0.850 1.00 0.00 C ATOM 425 C ARG A 269 0.556 -3.331 0.012 1.00 0.00 C ATOM 426 O ARG A 269 0.248 -4.397 0.551 1.00 0.00 O ATOM 427 CB ARG A 269 2.704 -2.530 1.079 1.00 0.00 C ATOM 428 CG ARG A 269 3.581 -1.960 -0.043 1.00 0.00 C ATOM 429 CD ARG A 269 4.771 -2.859 -0.397 1.00 0.00 C ATOM 430 NE ARG A 269 4.324 -4.046 -1.147 1.00 0.00 N ATOM 431 CZ ARG A 269 4.890 -5.243 -1.188 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.980 -5.540 -0.512 1.00 0.00 N ATOM 433 NH2 ARG A 269 4.339 -6.164 -1.943 1.00 0.00 N ATOM 0 H ARG A 269 0.935 -2.750 2.846 1.00 0.00 H new ATOM 0 HA ARG A 269 1.105 -1.286 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 269 3.019 -2.112 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.847 -3.609 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.969 -1.811 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.951 -0.980 0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.492 -2.298 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.282 -3.170 0.514 1.00 0.00 H new ATOM 0 HE ARG A 269 3.476 -3.932 -1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.425 -4.834 0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.380 -6.476 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 269 3.498 -5.949 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.752 -7.095 -1.995 1.00 0.00 H new ATOM 447 N LEU A 270 0.366 -3.106 -1.293 1.00 0.00 N ATOM 448 CA LEU A 270 -0.198 -4.099 -2.226 1.00 0.00 C ATOM 449 C LEU A 270 0.888 -4.805 -3.057 1.00 0.00 C ATOM 450 O LEU A 270 2.075 -4.487 -2.962 1.00 0.00 O ATOM 451 CB LEU A 270 -1.277 -3.424 -3.108 1.00 0.00 C ATOM 452 CG LEU A 270 -2.490 -2.857 -2.342 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.534 -2.367 -3.353 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.150 -3.893 -1.416 1.00 0.00 C ATOM 0 H LEU A 270 0.601 -2.220 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.674 -4.890 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -0.811 -2.614 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.635 -4.151 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.125 -2.042 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.395 -1.964 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.097 -1.588 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -3.852 -3.200 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -3.997 -3.436 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.497 -4.740 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.424 -4.238 -0.680 1.00 0.00 H new ATOM 529 N PRO A 276 -5.722 0.919 -7.931 1.00 0.00 N ATOM 530 CA PRO A 276 -6.566 1.598 -6.954 1.00 0.00 C ATOM 531 C PRO A 276 -7.922 2.067 -7.506 1.00 0.00 C ATOM 532 O PRO A 276 -8.831 2.330 -6.722 1.00 0.00 O ATOM 533 CB PRO A 276 -5.716 2.746 -6.404 1.00 0.00 C ATOM 534 CG PRO A 276 -4.715 3.036 -7.518 1.00 0.00 C ATOM 535 CD PRO A 276 -4.486 1.658 -8.131 1.00 0.00 C ATOM 0 HA PRO A 276 -6.862 0.905 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.326 3.621 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.213 2.462 -5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.113 3.742 -8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.791 3.465 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.247 1.738 -9.191 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.647 1.153 -7.652 1.00 0.00 H new ATOM 543 N SER A 277 -8.115 2.106 -8.830 1.00 0.00 N ATOM 544 CA SER A 277 -9.406 2.423 -9.458 1.00 0.00 C ATOM 545 C SER A 277 -10.411 1.246 -9.417 1.00 0.00 C ATOM 546 O SER A 277 -11.601 1.454 -9.663 1.00 0.00 O ATOM 547 CB SER A 277 -9.157 2.898 -10.902 1.00 0.00 C ATOM 548 OG SER A 277 -10.259 3.607 -11.458 1.00 0.00 O ATOM 0 H SER A 277 -7.373 1.917 -9.503 1.00 0.00 H new ATOM 0 HA SER A 277 -9.873 3.221 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.275 3.539 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.936 2.034 -11.529 1.00 0.00 H new ATOM 0 HG SER A 277 -11.096 3.243 -11.101 1.00 0.00 H new ATOM 554 N VAL A 278 -9.972 0.024 -9.057 1.00 0.00 N ATOM 555 CA VAL A 278 -10.837 -1.178 -8.937 1.00 0.00 C ATOM 556 C VAL A 278 -10.950 -1.711 -7.494 1.00 0.00 C ATOM 557 O VAL A 278 -11.368 -2.851 -7.283 1.00 0.00 O ATOM 558 CB VAL A 278 -10.474 -2.294 -9.953 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.558 -1.779 -11.401 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.097 -2.937 -9.724 1.00 0.00 C ATOM 0 H VAL A 278 -8.994 -0.164 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.836 -0.834 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.218 -3.072 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.298 -2.584 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.573 -1.438 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.863 -0.950 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.924 -3.705 -10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.322 -2.174 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.066 -3.388 -8.732 1.00 0.00 H new ATOM 570 N LEU A 279 -10.602 -0.891 -6.492 1.00 0.00 N ATOM 571 CA LEU A 279 -10.723 -1.223 -5.064 1.00 0.00 C ATOM 572 C LEU A 279 -12.011 -0.649 -4.430 1.00 0.00 C ATOM 573 O LEU A 279 -12.529 0.368 -4.909 1.00 0.00 O ATOM 574 CB LEU A 279 -9.463 -0.742 -4.317 1.00 0.00 C ATOM 575 CG LEU A 279 -8.188 -1.521 -4.696 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.980 -0.877 -4.014 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.284 -2.990 -4.252 1.00 0.00 C ATOM 0 H LEU A 279 -10.221 0.041 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.802 -2.306 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.308 0.316 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.630 -0.834 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.078 -1.489 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.077 -1.426 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.886 0.158 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.116 -0.904 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.371 -3.515 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.411 -3.036 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.138 -3.462 -4.738 1.00 0.00 H new ATOM 589 N PRO A 280 -12.532 -1.294 -3.364 1.00 0.00 N ATOM 590 CA PRO A 280 -13.783 -0.921 -2.708 1.00 0.00 C ATOM 591 C PRO A 280 -13.626 0.352 -1.869 1.00 0.00 C ATOM 592 O PRO A 280 -12.573 0.607 -1.289 1.00 0.00 O ATOM 593 CB PRO A 280 -14.160 -2.128 -1.840 1.00 0.00 C ATOM 594 CG PRO A 280 -12.828 -2.803 -1.529 1.00 0.00 C ATOM 595 CD PRO A 280 -11.984 -2.501 -2.757 1.00 0.00 C ATOM 0 HA PRO A 280 -14.562 -0.690 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.671 -1.818 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.833 -2.803 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.376 -2.401 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.947 -3.876 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.940 -2.354 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.014 -3.334 -3.460 1.00 0.00 H new ATOM 603 N ASP A 281 -14.704 1.136 -1.761 1.00 0.00 N ATOM 604 CA ASP A 281 -14.749 2.354 -0.934 1.00 0.00 C ATOM 605 C ASP A 281 -14.696 2.063 0.581 1.00 0.00 C ATOM 606 O ASP A 281 -14.382 2.949 1.374 1.00 0.00 O ATOM 607 CB ASP A 281 -16.015 3.157 -1.273 1.00 0.00 C ATOM 608 CG ASP A 281 -15.984 3.723 -2.701 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.280 4.737 -2.928 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.679 3.167 -3.585 1.00 0.00 O ATOM 0 H ASP A 281 -15.579 0.944 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.856 2.934 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.890 2.517 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.123 3.976 -0.562 1.00 0.00 H new ATOM 615 N ASN A 282 -14.945 0.809 0.969 1.00 0.00 N ATOM 616 CA ASN A 282 -14.910 0.300 2.344 1.00 0.00 C ATOM 617 C ASN A 282 -13.728 -0.670 2.566 1.00 0.00 C ATOM 618 O ASN A 282 -13.787 -1.538 3.442 1.00 0.00 O ATOM 619 CB ASN A 282 -16.269 -0.348 2.664 1.00 0.00 C ATOM 620 CG ASN A 282 -17.437 0.626 2.528 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.501 1.656 3.189 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.402 0.328 1.673 1.00 0.00 N ATOM 0 H ASN A 282 -15.190 0.082 0.296 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.743 1.127 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.429 -1.195 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.248 -0.743 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.199 0.955 1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.349 -0.529 1.123 1.00 0.00 H new ATOM 629 N TRP A 283 -12.657 -0.554 1.765 1.00 0.00 N ATOM 630 CA TRP A 283 -11.409 -1.302 1.955 1.00 0.00 C ATOM 631 C TRP A 283 -10.859 -1.129 3.381 1.00 0.00 C ATOM 632 O TRP A 283 -10.837 -0.028 3.921 1.00 0.00 O ATOM 633 CB TRP A 283 -10.363 -0.867 0.921 1.00 0.00 C ATOM 634 CG TRP A 283 -9.170 -1.759 0.907 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.004 -2.826 0.096 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.023 -1.749 1.812 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.840 -3.488 0.443 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.219 -2.887 1.520 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.613 -0.925 2.887 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.078 -3.197 2.272 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.469 -1.228 3.645 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.710 -2.367 3.340 1.00 0.00 C ATOM 0 H TRP A 283 -12.635 0.070 0.958 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.630 -2.360 1.811 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.818 -0.858 -0.070 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.047 0.154 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.675 -3.117 -0.699 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.485 -4.316 -0.036 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.191 -0.046 3.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.487 -4.068 2.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.175 -0.585 4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.838 -2.606 3.931 1.00 0.00 H new ATOM 653 N SER A 284 -10.379 -2.203 3.990 1.00 0.00 N ATOM 654 CA SER A 284 -9.828 -2.215 5.349 1.00 0.00 C ATOM 655 C SER A 284 -8.656 -3.193 5.438 1.00 0.00 C ATOM 656 O SER A 284 -8.447 -3.993 4.522 1.00 0.00 O ATOM 657 CB SER A 284 -10.929 -2.586 6.358 1.00 0.00 C ATOM 658 OG SER A 284 -11.447 -3.893 6.119 1.00 0.00 O ATOM 0 H SER A 284 -10.359 -3.120 3.544 1.00 0.00 H new ATOM 0 HA SER A 284 -9.457 -1.219 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.527 -2.533 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.738 -1.858 6.298 1.00 0.00 H new ATOM 0 HG SER A 284 -12.142 -4.095 6.779 1.00 0.00 H new ATOM 664 N CYS A 285 -7.910 -3.167 6.546 1.00 0.00 N ATOM 665 CA CYS A 285 -6.803 -4.101 6.790 1.00 0.00 C ATOM 666 C CYS A 285 -7.196 -5.586 6.565 1.00 0.00 C ATOM 667 O CYS A 285 -6.373 -6.388 6.130 1.00 0.00 O ATOM 668 CB CYS A 285 -6.278 -3.938 8.227 1.00 0.00 C ATOM 669 SG CYS A 285 -5.807 -2.238 8.639 1.00 0.00 S ATOM 0 H CYS A 285 -8.056 -2.497 7.301 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.028 -3.851 6.065 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.045 -4.273 8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.415 -4.589 8.365 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.837 -1.457 8.501 1.00 0.00 H new ATOM 674 N ASP A 286 -8.460 -5.953 6.815 1.00 0.00 N ATOM 675 CA ASP A 286 -9.024 -7.294 6.583 1.00 0.00 C ATOM 676 C ASP A 286 -9.065 -7.708 5.093 1.00 0.00 C ATOM 677 O ASP A 286 -9.206 -8.889 4.773 1.00 0.00 O ATOM 678 CB ASP A 286 -10.429 -7.332 7.206 1.00 0.00 C ATOM 679 CG ASP A 286 -11.060 -8.736 7.191 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.577 -9.621 7.936 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.064 -8.936 6.464 1.00 0.00 O ATOM 0 H ASP A 286 -9.145 -5.302 7.199 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.366 -8.023 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.373 -6.977 8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.078 -6.643 6.666 1.00 0.00 H new ATOM 686 N GLN A 287 -8.910 -6.745 4.181 1.00 0.00 N ATOM 687 CA GLN A 287 -8.962 -6.898 2.724 1.00 0.00 C ATOM 688 C GLN A 287 -7.557 -6.801 2.081 1.00 0.00 C ATOM 689 O GLN A 287 -7.431 -6.632 0.867 1.00 0.00 O ATOM 690 CB GLN A 287 -9.956 -5.852 2.179 1.00 0.00 C ATOM 691 CG GLN A 287 -11.402 -6.161 2.610 1.00 0.00 C ATOM 692 CD GLN A 287 -12.346 -4.979 2.405 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.822 -4.705 1.312 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.645 -4.224 3.443 1.00 0.00 N ATOM 0 H GLN A 287 -8.734 -5.779 4.456 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.314 -7.895 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.674 -4.861 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.898 -5.827 1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.770 -7.016 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.409 -6.448 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.255 -4.441 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.266 -3.423 3.329 1.00 0.00 H new ATOM 703 N ASN A 288 -6.491 -6.915 2.884 1.00 0.00 N ATOM 704 CA ASN A 288 -5.097 -6.855 2.431 1.00 0.00 C ATOM 705 C ASN A 288 -4.630 -8.107 1.660 1.00 0.00 C ATOM 706 O ASN A 288 -5.153 -9.211 1.847 1.00 0.00 O ATOM 707 CB ASN A 288 -4.178 -6.579 3.636 1.00 0.00 C ATOM 708 CG ASN A 288 -2.826 -6.013 3.213 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.740 -5.150 2.351 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.731 -6.514 3.749 1.00 0.00 N ATOM 0 H ASN A 288 -6.577 -7.055 3.891 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.035 -6.037 1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.668 -5.878 4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.025 -7.503 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.816 -6.182 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.799 -7.234 4.468 1.00 0.00 H new ATOM 717 N THR A 289 -3.594 -7.929 0.825 1.00 0.00 N ATOM 718 CA THR A 289 -2.949 -8.991 0.026 1.00 0.00 C ATOM 719 C THR A 289 -1.780 -9.667 0.741 1.00 0.00 C ATOM 720 O THR A 289 -1.320 -10.716 0.295 1.00 0.00 O ATOM 721 CB THR A 289 -2.501 -8.463 -1.345 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.645 -7.352 -1.198 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.698 -8.038 -2.193 1.00 0.00 C ATOM 0 H THR A 289 -3.166 -7.014 0.681 1.00 0.00 H new ATOM 0 HA THR A 289 -3.713 -9.755 -0.117 1.00 0.00 H new ATOM 0 HB THR A 289 -1.973 -9.277 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.370 -7.032 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.348 -7.669 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.356 -8.893 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.246 -7.248 -1.679 1.00 0.00 H new ATOM 731 N ASP A 290 -1.333 -9.109 1.869 1.00 0.00 N ATOM 732 CA ASP A 290 -0.210 -9.600 2.673 1.00 0.00 C ATOM 733 C ASP A 290 -0.657 -10.005 4.090 1.00 0.00 C ATOM 734 O ASP A 290 -1.146 -9.176 4.860 1.00 0.00 O ATOM 735 CB ASP A 290 0.899 -8.530 2.724 1.00 0.00 C ATOM 736 CG ASP A 290 2.256 -9.089 2.263 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.635 -10.188 2.733 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.930 -8.434 1.434 1.00 0.00 O ATOM 0 H ASP A 290 -1.760 -8.270 2.263 1.00 0.00 H new ATOM 0 HA ASP A 290 0.185 -10.498 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.620 -7.687 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.990 -8.149 3.741 1.00 0.00 H new ATOM 743 N VAL A 291 -0.455 -11.279 4.443 1.00 0.00 N ATOM 744 CA VAL A 291 -0.928 -11.898 5.705 1.00 0.00 C ATOM 745 C VAL A 291 -0.234 -11.349 6.960 1.00 0.00 C ATOM 746 O VAL A 291 -0.744 -11.487 8.069 1.00 0.00 O ATOM 747 CB VAL A 291 -0.786 -13.439 5.700 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.601 -14.053 4.552 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.681 -13.898 5.606 1.00 0.00 C ATOM 0 H VAL A 291 0.055 -11.933 3.849 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.983 -11.628 5.750 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.177 -13.792 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.488 -15.137 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.653 -13.796 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.241 -13.662 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.722 -14.987 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.123 -13.518 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.238 -13.514 6.460 1.00 0.00 H new ATOM 759 N GLN A 292 0.920 -10.708 6.772 1.00 0.00 N ATOM 760 CA GLN A 292 1.694 -10.046 7.823 1.00 0.00 C ATOM 761 C GLN A 292 1.019 -8.774 8.358 1.00 0.00 C ATOM 762 O GLN A 292 1.351 -8.340 9.459 1.00 0.00 O ATOM 763 CB GLN A 292 3.130 -9.778 7.335 1.00 0.00 C ATOM 764 CG GLN A 292 3.261 -9.415 5.846 1.00 0.00 C ATOM 765 CD GLN A 292 4.632 -8.846 5.472 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.762 -7.723 5.001 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.708 -9.585 5.661 1.00 0.00 N ATOM 0 H GLN A 292 1.356 -10.633 5.853 1.00 0.00 H new ATOM 0 HA GLN A 292 1.738 -10.727 8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.552 -8.967 7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.734 -10.664 7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.070 -10.305 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.492 -8.686 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.620 -10.523 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.628 -9.219 5.416 1.00 0.00 H new ATOM 776 N TYR A 293 0.051 -8.212 7.623 1.00 0.00 N ATOM 777 CA TYR A 293 -0.678 -6.986 7.992 1.00 0.00 C ATOM 778 C TYR A 293 -2.171 -7.035 7.600 1.00 0.00 C ATOM 779 O TYR A 293 -2.798 -6.006 7.345 1.00 0.00 O ATOM 780 CB TYR A 293 0.048 -5.752 7.427 1.00 0.00 C ATOM 781 CG TYR A 293 1.453 -5.546 7.963 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.642 -4.822 9.153 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.563 -6.115 7.312 1.00 0.00 C ATOM 784 CE1 TYR A 293 2.925 -4.684 9.710 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.847 -6.003 7.872 1.00 0.00 C ATOM 786 CZ TYR A 293 4.033 -5.296 9.082 1.00 0.00 C ATOM 787 OH TYR A 293 5.269 -5.225 9.647 1.00 0.00 O ATOM 0 H TYR A 293 -0.256 -8.605 6.733 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.678 -6.908 9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.096 -5.840 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.545 -4.865 7.648 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.794 -4.368 9.644 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.428 -6.640 6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.064 -4.112 10.615 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.693 -6.458 7.377 1.00 0.00 H new ATOM 0 HH TYR A 293 5.914 -5.701 9.083 1.00 0.00 H new ATOM 797 N ASN A 294 -2.757 -8.238 7.555 1.00 0.00 N ATOM 798 CA ASN A 294 -4.140 -8.478 7.117 1.00 0.00 C ATOM 799 C ASN A 294 -5.209 -8.306 8.224 1.00 0.00 C ATOM 800 O ASN A 294 -6.312 -8.849 8.116 1.00 0.00 O ATOM 801 CB ASN A 294 -4.241 -9.835 6.399 1.00 0.00 C ATOM 802 CG ASN A 294 -4.204 -11.050 7.331 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.852 -10.970 8.504 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.578 -12.215 6.834 1.00 0.00 N ATOM 0 H ASN A 294 -2.272 -9.093 7.828 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.380 -7.687 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.168 -9.861 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.422 -9.916 5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.574 -13.046 7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.871 -12.283 5.859 1.00 0.00 H new ATOM 811 N ARG A 295 -4.878 -7.584 9.303 1.00 0.00 N ATOM 812 CA ARG A 295 -5.750 -7.324 10.455 1.00 0.00 C ATOM 813 C ARG A 295 -5.559 -5.917 11.014 1.00 0.00 C ATOM 814 O ARG A 295 -4.434 -5.460 11.208 1.00 0.00 O ATOM 815 CB ARG A 295 -5.443 -8.331 11.570 1.00 0.00 C ATOM 816 CG ARG A 295 -6.300 -9.596 11.483 1.00 0.00 C ATOM 817 CD ARG A 295 -5.868 -10.562 12.589 1.00 0.00 C ATOM 818 NE ARG A 295 -6.766 -11.727 12.672 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.679 -12.725 13.545 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.735 -12.770 14.464 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.556 -13.705 13.506 1.00 0.00 N ATOM 0 H ARG A 295 -3.961 -7.149 9.400 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.779 -7.423 10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.390 -8.608 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.604 -7.855 12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.355 -9.345 11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.183 -10.065 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.849 -10.900 12.400 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.859 -10.040 13.546 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.527 -11.772 11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.042 -12.024 14.520 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.697 -13.551 15.119 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.299 -13.697 12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.493 -14.473 14.174 1.00 0.00 H new ATOM 835 N CYS A 296 -6.670 -5.293 11.391 1.00 0.00 N ATOM 836 CA CYS A 296 -6.740 -3.984 12.040 1.00 0.00 C ATOM 837 C CYS A 296 -6.063 -3.897 13.425 1.00 0.00 C ATOM 838 O CYS A 296 -5.785 -2.802 13.918 1.00 0.00 O ATOM 839 CB CYS A 296 -8.229 -3.645 12.153 1.00 0.00 C ATOM 840 SG CYS A 296 -8.786 -2.786 10.658 1.00 0.00 S ATOM 0 H CYS A 296 -7.592 -5.704 11.246 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.180 -3.273 11.433 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.808 -4.557 12.295 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.402 -3.018 13.028 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.759 -2.498 9.915 1.00 0.00 H new ATOM 845 N ASP A 297 -5.773 -5.043 14.042 1.00 0.00 N ATOM 846 CA ASP A 297 -5.120 -5.151 15.347 1.00 0.00 C ATOM 847 C ASP A 297 -3.590 -5.247 15.201 1.00 0.00 C ATOM 848 O ASP A 297 -2.859 -5.300 16.191 1.00 0.00 O ATOM 849 CB ASP A 297 -5.739 -6.352 16.071 1.00 0.00 C ATOM 850 CG ASP A 297 -5.327 -6.450 17.551 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.632 -5.510 18.325 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.743 -7.488 17.945 1.00 0.00 O ATOM 0 H ASP A 297 -5.993 -5.951 13.634 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.287 -4.255 15.944 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.825 -6.285 16.007 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.445 -7.268 15.558 1.00 0.00 H new ATOM 857 N ILE A 298 -3.099 -5.237 13.955 1.00 0.00 N ATOM 858 CA ILE A 298 -1.677 -5.245 13.613 1.00 0.00 C ATOM 859 C ILE A 298 -1.222 -3.800 13.360 1.00 0.00 C ATOM 860 O ILE A 298 -1.883 -3.090 12.589 1.00 0.00 O ATOM 861 CB ILE A 298 -1.388 -6.147 12.393 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.933 -7.564 12.661 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.120 -6.185 12.112 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.669 -8.581 11.544 1.00 0.00 C ATOM 0 H ILE A 298 -3.703 -5.223 13.133 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.112 -5.664 14.446 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.887 -5.741 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.491 -7.938 13.585 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.009 -7.498 12.826 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.314 -6.824 11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.477 -5.176 11.904 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.642 -6.582 12.982 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.089 -9.547 11.824 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.135 -8.237 10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.595 -8.683 11.392 1.00 0.00 H new ATOM 876 N PRO A 299 -0.098 -3.371 13.960 1.00 0.00 N ATOM 877 CA PRO A 299 0.437 -2.023 13.819 1.00 0.00 C ATOM 878 C PRO A 299 0.837 -1.707 12.376 1.00 0.00 C ATOM 879 O PRO A 299 1.053 -2.605 11.565 1.00 0.00 O ATOM 880 CB PRO A 299 1.638 -1.975 14.768 1.00 0.00 C ATOM 881 CG PRO A 299 2.091 -3.426 14.894 1.00 0.00 C ATOM 882 CD PRO A 299 0.779 -4.192 14.782 1.00 0.00 C ATOM 0 HA PRO A 299 -0.309 -1.268 14.068 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.433 -1.345 14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.360 -1.561 15.737 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.791 -3.703 14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.591 -3.614 15.844 1.00 0.00 H new ATOM 0 HD2 PRO A 299 0.936 -5.170 14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.343 -4.364 15.766 1.00 0.00 H new ATOM 890 N GLU A 300 0.930 -0.417 12.049 1.00 0.00 N ATOM 891 CA GLU A 300 1.349 0.063 10.741 1.00 0.00 C ATOM 892 C GLU A 300 2.824 -0.304 10.460 1.00 0.00 C ATOM 893 O GLU A 300 3.687 -0.152 11.331 1.00 0.00 O ATOM 894 CB GLU A 300 1.122 1.585 10.698 1.00 0.00 C ATOM 895 CG GLU A 300 0.796 2.017 9.273 1.00 0.00 C ATOM 896 CD GLU A 300 0.807 3.539 9.075 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.782 4.218 9.476 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.169 4.055 8.487 1.00 0.00 O ATOM 0 H GLU A 300 0.711 0.335 12.703 1.00 0.00 H new ATOM 0 HA GLU A 300 0.760 -0.415 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.306 1.860 11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.012 2.105 11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.517 1.565 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.186 1.631 9.001 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.966 5.821 1.094 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.892 6.518 0.365 1.00 0.00 C ATOM 1029 C ARG B 2 -6.883 5.529 -0.227 1.00 0.00 C ATOM 1030 O ARG B 2 -6.649 4.442 0.311 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.156 7.550 1.236 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.949 8.852 1.404 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.107 9.907 2.134 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.795 11.211 2.184 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.715 12.190 1.287 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.995 12.082 0.188 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.374 13.311 1.486 1.00 0.00 N ATOM 0 HA ARG B 2 -8.383 7.056 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.961 7.118 2.218 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.188 7.774 0.788 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.248 9.230 0.427 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.864 8.657 1.964 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.896 9.567 3.148 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.147 10.020 1.630 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.395 11.380 2.991 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.474 11.225 0.002 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.959 12.855 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.943 13.426 2.325 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.316 14.065 0.801 1.00 0.00 H new ATOM 1051 N THR B 3 -6.254 5.964 -1.316 1.00 0.00 N ATOM 1052 CA THR B 3 -5.245 5.246 -2.103 1.00 0.00 C ATOM 1053 C THR B 3 -4.173 6.222 -2.551 1.00 0.00 C ATOM 1054 O THR B 3 -4.457 7.393 -2.808 1.00 0.00 O ATOM 1055 CB THR B 3 -5.867 4.560 -3.328 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.785 5.418 -3.974 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.596 3.277 -2.936 1.00 0.00 C ATOM 0 H THR B 3 -6.446 6.889 -1.701 1.00 0.00 H new ATOM 0 HA THR B 3 -4.808 4.471 -1.474 1.00 0.00 H new ATOM 0 HB THR B 3 -5.048 4.318 -4.005 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.283 4.914 -4.651 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.025 2.816 -3.826 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.892 2.586 -2.472 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.392 3.512 -2.230 1.00 0.00 H new