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= 0.447 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.1 K(o=1.5,f=0.97) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.11 USER MOD Set 2.2: A 264 CYS SG : rot 148:sc= 2.24 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 141:sc= 1.4 (180deg=-0.162) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 3.25 USER MOD Set 2.5: A 296 CYS SG : rot -6:sc= 1.35 USER MOD Single : A 258 GLN : amide:sc= 0.768 K(o=0.77,f=-1.2) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0522 K(o=0.052,f=-1.1) USER MOD Single : A 277 SER OG : rot -31:sc= 0.00752 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.36) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00592 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= -0.167 K(o=-0.17,f=-0.99) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.565 0.701 -5.135 1.00 0.00 N ATOM 195 CA VAL A 255 0.253 1.120 -4.603 1.00 0.00 C ATOM 196 C VAL A 255 0.156 0.840 -3.096 1.00 0.00 C ATOM 197 O VAL A 255 0.471 -0.261 -2.635 1.00 0.00 O ATOM 198 CB VAL A 255 -0.926 0.436 -5.345 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.294 1.001 -4.911 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.823 0.586 -6.874 1.00 0.00 C ATOM 0 HA VAL A 255 0.175 2.194 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.856 -0.617 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.088 0.492 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.430 0.843 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.332 2.069 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.671 0.090 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.828 1.644 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.104 0.130 -7.223 1.00 0.00 H new ATOM 210 N TRP A 256 -0.342 1.829 -2.349 1.00 0.00 N ATOM 211 CA TRP A 256 -0.705 1.726 -0.930 1.00 0.00 C ATOM 212 C TRP A 256 -2.189 2.081 -0.721 1.00 0.00 C ATOM 213 O TRP A 256 -2.749 2.919 -1.432 1.00 0.00 O ATOM 214 CB TRP A 256 0.176 2.664 -0.091 1.00 0.00 C ATOM 215 CG TRP A 256 1.610 2.289 0.111 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.611 2.527 -0.763 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.237 1.628 1.255 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.807 2.086 -0.233 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.635 1.503 0.999 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.769 1.104 2.477 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.518 0.872 1.887 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.633 0.412 3.347 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.004 0.299 3.060 1.00 0.00 C ATOM 0 H TRP A 256 -0.511 2.760 -2.729 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.544 0.697 -0.609 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.151 3.650 -0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.284 2.764 0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.494 2.992 -1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.709 2.181 -0.700 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.732 1.235 2.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.575 0.828 1.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.237 -0.037 4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.659 -0.226 3.739 1.00 0.00 H new ATOM 234 N VAL A 257 -2.804 1.470 0.292 1.00 0.00 N ATOM 235 CA VAL A 257 -4.242 1.582 0.618 1.00 0.00 C ATOM 236 C VAL A 257 -4.447 1.940 2.085 1.00 0.00 C ATOM 237 O VAL A 257 -3.819 1.336 2.951 1.00 0.00 O ATOM 238 CB VAL A 257 -5.004 0.265 0.338 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.483 0.195 -1.109 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.180 -0.995 0.650 1.00 0.00 C ATOM 0 H VAL A 257 -2.303 0.859 0.937 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.636 2.371 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.859 0.282 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.014 -0.743 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.152 1.031 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.625 0.247 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.775 -1.882 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.279 -1.002 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -3.902 -0.996 1.704 1.00 0.00 H new ATOM 250 N GLN A 258 -5.331 2.903 2.365 1.00 0.00 N ATOM 251 CA GLN A 258 -5.668 3.333 3.723 1.00 0.00 C ATOM 252 C GLN A 258 -6.967 2.681 4.208 1.00 0.00 C ATOM 253 O GLN A 258 -7.989 2.714 3.515 1.00 0.00 O ATOM 254 CB GLN A 258 -5.766 4.863 3.798 1.00 0.00 C ATOM 255 CG GLN A 258 -5.854 5.379 5.246 1.00 0.00 C ATOM 256 CD GLN A 258 -5.735 6.904 5.339 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.307 7.658 4.561 1.00 0.00 O ATOM 258 NE2 GLN A 258 -4.990 7.420 6.294 1.00 0.00 N ATOM 0 H GLN A 258 -5.840 3.413 1.642 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.866 3.006 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -4.896 5.304 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.644 5.195 3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.803 5.066 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.063 4.920 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.506 6.807 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.896 8.432 6.377 1.00 0.00 H new ATOM 267 N CYS A 259 -6.916 2.133 5.425 1.00 0.00 N ATOM 268 CA CYS A 259 -8.032 1.513 6.130 1.00 0.00 C ATOM 269 C CYS A 259 -9.263 2.440 6.258 1.00 0.00 C ATOM 270 O CYS A 259 -9.142 3.639 6.533 1.00 0.00 O ATOM 271 CB CYS A 259 -7.496 1.099 7.507 1.00 0.00 C ATOM 272 SG CYS A 259 -8.651 -0.036 8.316 1.00 0.00 S ATOM 0 H CYS A 259 -6.053 2.110 5.968 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.394 0.654 5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.523 0.621 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.349 1.983 8.128 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.221 -0.315 9.511 1.00 0.00 H new ATOM 277 N SER A 260 -10.458 1.880 6.070 1.00 0.00 N ATOM 278 CA SER A 260 -11.741 2.592 6.174 1.00 0.00 C ATOM 279 C SER A 260 -12.085 3.069 7.595 1.00 0.00 C ATOM 280 O SER A 260 -12.846 4.032 7.746 1.00 0.00 O ATOM 281 CB SER A 260 -12.894 1.725 5.635 1.00 0.00 C ATOM 282 OG SER A 260 -12.993 0.464 6.285 1.00 0.00 O ATOM 0 H SER A 260 -10.568 0.894 5.835 1.00 0.00 H new ATOM 0 HA SER A 260 -11.619 3.486 5.563 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.834 2.264 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.753 1.566 4.566 1.00 0.00 H new ATOM 0 HG SER A 260 -13.741 -0.042 5.905 1.00 0.00 H new ATOM 288 N PHE A 261 -11.534 2.438 8.639 1.00 0.00 N ATOM 289 CA PHE A 261 -11.788 2.821 10.024 1.00 0.00 C ATOM 290 C PHE A 261 -10.950 4.038 10.454 1.00 0.00 C ATOM 291 O PHE A 261 -9.742 4.074 10.198 1.00 0.00 O ATOM 292 CB PHE A 261 -11.529 1.629 10.945 1.00 0.00 C ATOM 293 CG PHE A 261 -12.495 0.479 10.772 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.813 0.590 11.254 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.071 -0.710 10.151 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.708 -0.486 11.101 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.959 -1.789 10.016 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.281 -1.675 10.482 1.00 0.00 C ATOM 0 H PHE A 261 -10.899 1.646 8.542 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.834 3.117 10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.516 1.265 10.771 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.572 1.970 11.979 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.137 1.498 11.740 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.061 -0.793 9.778 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.723 -0.399 11.459 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.627 -2.707 9.554 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.968 -2.500 10.365 1.00 0.00 H new ATOM 308 N PRO A 262 -11.563 5.007 11.162 1.00 0.00 N ATOM 309 CA PRO A 262 -10.911 6.237 11.602 1.00 0.00 C ATOM 310 C PRO A 262 -9.914 6.001 12.742 1.00 0.00 C ATOM 311 O PRO A 262 -8.890 6.676 12.821 1.00 0.00 O ATOM 312 CB PRO A 262 -12.066 7.132 12.054 1.00 0.00 C ATOM 313 CG PRO A 262 -13.136 6.157 12.542 1.00 0.00 C ATOM 314 CD PRO A 262 -12.956 4.983 11.590 1.00 0.00 C ATOM 0 HA PRO A 262 -10.315 6.681 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.755 7.811 12.848 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.435 7.749 11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.980 5.867 13.581 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.137 6.584 12.478 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.193 4.042 12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.626 5.071 10.735 1.00 0.00 H new ATOM 322 N ASN A 263 -10.184 5.007 13.595 1.00 0.00 N ATOM 323 CA ASN A 263 -9.283 4.544 14.660 1.00 0.00 C ATOM 324 C ASN A 263 -8.103 3.687 14.141 1.00 0.00 C ATOM 325 O ASN A 263 -7.215 3.328 14.918 1.00 0.00 O ATOM 326 CB ASN A 263 -10.105 3.796 15.721 1.00 0.00 C ATOM 327 CG ASN A 263 -10.772 2.537 15.171 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.800 2.604 14.508 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.206 1.368 15.410 1.00 0.00 N ATOM 0 H ASN A 263 -11.061 4.486 13.564 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.816 5.422 15.107 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.455 3.524 16.553 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.870 4.463 16.119 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.625 0.514 15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.350 1.319 15.963 1.00 0.00 H new ATOM 336 N CYS A 264 -8.089 3.383 12.838 1.00 0.00 N ATOM 337 CA CYS A 264 -6.982 2.757 12.118 1.00 0.00 C ATOM 338 C CYS A 264 -6.241 3.845 11.324 1.00 0.00 C ATOM 339 O CYS A 264 -5.206 4.345 11.775 1.00 0.00 O ATOM 340 CB CYS A 264 -7.537 1.633 11.227 1.00 0.00 C ATOM 341 SG CYS A 264 -6.540 0.123 11.285 1.00 0.00 S ATOM 0 H CYS A 264 -8.887 3.577 12.233 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.264 2.300 12.799 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.556 1.401 11.538 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.590 1.987 10.197 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.311 -0.912 11.131 1.00 0.00 H new ATOM 346 N GLY A 265 -6.767 4.205 10.142 1.00 0.00 N ATOM 347 CA GLY A 265 -6.127 5.116 9.199 1.00 0.00 C ATOM 348 C GLY A 265 -4.781 4.599 8.682 1.00 0.00 C ATOM 349 O GLY A 265 -4.009 5.375 8.120 1.00 0.00 O ATOM 0 H GLY A 265 -7.669 3.859 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.795 5.282 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.977 6.082 9.681 1.00 0.00 H new ATOM 353 N LYS A 266 -4.491 3.310 8.884 1.00 0.00 N ATOM 354 CA LYS A 266 -3.220 2.678 8.538 1.00 0.00 C ATOM 355 C LYS A 266 -3.078 2.484 7.032 1.00 0.00 C ATOM 356 O LYS A 266 -4.052 2.134 6.360 1.00 0.00 O ATOM 357 CB LYS A 266 -3.106 1.314 9.226 1.00 0.00 C ATOM 358 CG LYS A 266 -2.999 1.417 10.742 1.00 0.00 C ATOM 359 CD LYS A 266 -2.867 -0.007 11.281 1.00 0.00 C ATOM 360 CE LYS A 266 -2.870 -0.027 12.800 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.199 0.347 13.355 1.00 0.00 N ATOM 0 H LYS A 266 -5.156 2.661 9.305 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.425 3.340 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.976 0.710 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.231 0.791 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.136 2.018 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.880 1.906 11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.689 -0.617 10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.944 -0.453 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.597 -1.022 13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.113 0.662 13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.409 -0.246 14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.187 1.347 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.931 0.202 12.631 1.00 0.00 H new ATOM 375 N TRP A 267 -1.860 2.626 6.516 1.00 0.00 N ATOM 376 CA TRP A 267 -1.527 2.306 5.136 1.00 0.00 C ATOM 377 C TRP A 267 -0.922 0.901 5.054 1.00 0.00 C ATOM 378 O TRP A 267 0.060 0.597 5.736 1.00 0.00 O ATOM 379 CB TRP A 267 -0.608 3.389 4.558 1.00 0.00 C ATOM 380 CG TRP A 267 -1.236 4.744 4.438 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.262 5.682 5.408 1.00 0.00 C ATOM 382 CD2 TRP A 267 -1.958 5.324 3.309 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.915 6.810 4.951 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.363 6.647 3.657 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.321 4.861 2.028 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.067 7.475 2.767 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.046 5.673 1.135 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.404 6.984 1.494 1.00 0.00 C ATOM 0 H TRP A 267 -1.066 2.972 7.055 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.430 2.295 4.525 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.278 3.469 5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.270 3.071 3.572 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.836 5.568 6.394 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.049 7.658 5.502 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.037 3.864 1.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.346 8.477 3.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.329 5.286 0.167 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -3.936 7.612 0.794 1.00 0.00 H new ATOM 399 N ARG A 268 -1.514 0.049 4.209 1.00 0.00 N ATOM 400 CA ARG A 268 -1.004 -1.281 3.856 1.00 0.00 C ATOM 401 C ARG A 268 -0.569 -1.301 2.387 1.00 0.00 C ATOM 402 O ARG A 268 -1.072 -0.519 1.569 1.00 0.00 O ATOM 403 CB ARG A 268 -2.050 -2.380 4.111 1.00 0.00 C ATOM 404 CG ARG A 268 -2.789 -2.327 5.458 1.00 0.00 C ATOM 405 CD ARG A 268 -1.881 -2.356 6.686 1.00 0.00 C ATOM 406 NE ARG A 268 -2.695 -2.532 7.895 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.257 -2.728 9.126 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.997 -2.597 9.467 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.118 -3.048 10.052 1.00 0.00 N ATOM 0 H ARG A 268 -2.390 0.274 3.737 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.145 -1.488 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.792 -2.336 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.554 -3.347 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.392 -1.420 5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.478 -3.170 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.160 -3.169 6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.310 -1.430 6.751 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.707 -2.499 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.304 -2.332 8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.710 -2.760 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.106 -3.142 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.803 -3.204 11.009 1.00 0.00 H new ATOM 423 N ARG A 269 0.378 -2.189 2.077 1.00 0.00 N ATOM 424 CA ARG A 269 1.052 -2.298 0.780 1.00 0.00 C ATOM 425 C ARG A 269 0.431 -3.418 -0.071 1.00 0.00 C ATOM 426 O ARG A 269 0.224 -4.522 0.437 1.00 0.00 O ATOM 427 CB ARG A 269 2.544 -2.577 1.038 1.00 0.00 C ATOM 428 CG ARG A 269 3.424 -2.071 -0.112 1.00 0.00 C ATOM 429 CD ARG A 269 4.571 -3.028 -0.456 1.00 0.00 C ATOM 430 NE ARG A 269 4.059 -4.233 -1.133 1.00 0.00 N ATOM 431 CZ ARG A 269 4.337 -5.502 -0.860 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.238 -5.858 0.033 1.00 0.00 N ATOM 433 NH2 ARG A 269 3.681 -6.438 -1.505 1.00 0.00 N ATOM 0 H ARG A 269 0.710 -2.880 2.750 1.00 0.00 H new ATOM 0 HA ARG A 269 0.935 -1.368 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.848 -2.096 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.696 -3.648 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.805 -1.922 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.838 -1.099 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.292 -2.523 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.099 -3.313 0.454 1.00 0.00 H new ATOM 0 HE ARG A 269 3.412 -4.072 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.755 -5.145 0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 269 5.418 -6.846 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 269 2.977 -6.183 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 269 3.875 -7.421 -1.314 1.00 0.00 H new ATOM 447 N LEU A 270 0.151 -3.155 -1.354 1.00 0.00 N ATOM 448 CA LEU A 270 -0.428 -4.135 -2.293 1.00 0.00 C ATOM 449 C LEU A 270 0.649 -4.835 -3.142 1.00 0.00 C ATOM 450 O LEU A 270 1.846 -4.599 -2.973 1.00 0.00 O ATOM 451 CB LEU A 270 -1.514 -3.449 -3.154 1.00 0.00 C ATOM 452 CG LEU A 270 -2.711 -2.881 -2.365 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.763 -2.386 -3.363 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.352 -3.912 -1.420 1.00 0.00 C ATOM 0 H LEU A 270 0.321 -2.243 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.902 -4.930 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.051 -2.638 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.887 -4.169 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.339 -2.068 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.617 -1.981 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.330 -1.608 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.091 -3.217 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.188 -3.452 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.711 -4.762 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.611 -4.253 -0.697 1.00 0.00 H new ATOM 529 N PRO A 276 -5.844 0.976 -8.103 1.00 0.00 N ATOM 530 CA PRO A 276 -6.681 1.631 -7.104 1.00 0.00 C ATOM 531 C PRO A 276 -8.056 2.087 -7.627 1.00 0.00 C ATOM 532 O PRO A 276 -8.947 2.350 -6.822 1.00 0.00 O ATOM 533 CB PRO A 276 -5.841 2.790 -6.558 1.00 0.00 C ATOM 534 CG PRO A 276 -4.831 3.087 -7.663 1.00 0.00 C ATOM 535 CD PRO A 276 -4.611 1.719 -8.300 1.00 0.00 C ATOM 0 HA PRO A 276 -6.950 0.923 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.460 3.661 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.342 2.515 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.219 3.809 -8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.905 3.500 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.381 1.816 -9.361 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.769 1.205 -7.837 1.00 0.00 H new ATOM 543 N SER A 277 -8.275 2.117 -8.949 1.00 0.00 N ATOM 544 CA SER A 277 -9.584 2.382 -9.575 1.00 0.00 C ATOM 545 C SER A 277 -10.557 1.179 -9.506 1.00 0.00 C ATOM 546 O SER A 277 -11.761 1.357 -9.715 1.00 0.00 O ATOM 547 CB SER A 277 -9.368 2.856 -11.028 1.00 0.00 C ATOM 548 OG SER A 277 -10.505 3.523 -11.567 1.00 0.00 O ATOM 0 H SER A 277 -7.533 1.955 -9.630 1.00 0.00 H new ATOM 0 HA SER A 277 -10.069 3.171 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.509 3.526 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 277 -9.127 1.997 -11.653 1.00 0.00 H new ATOM 0 HG SER A 277 -11.321 3.149 -11.173 1.00 0.00 H new ATOM 554 N VAL A 278 -10.079 -0.028 -9.155 1.00 0.00 N ATOM 555 CA VAL A 278 -10.908 -1.251 -9.018 1.00 0.00 C ATOM 556 C VAL A 278 -10.989 -1.778 -7.571 1.00 0.00 C ATOM 557 O VAL A 278 -11.370 -2.928 -7.348 1.00 0.00 O ATOM 558 CB VAL A 278 -10.526 -2.360 -10.035 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.647 -1.860 -11.487 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.131 -2.970 -9.824 1.00 0.00 C ATOM 0 H VAL A 278 -9.092 -0.189 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.920 -0.939 -9.275 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.248 -3.155 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.372 -2.662 -12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.675 -1.553 -11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.980 -1.011 -11.636 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.950 -3.735 -10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.376 -2.189 -9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.077 -3.419 -8.832 1.00 0.00 H new ATOM 570 N LEU A 279 -10.659 -0.940 -6.576 1.00 0.00 N ATOM 571 CA LEU A 279 -10.762 -1.267 -5.146 1.00 0.00 C ATOM 572 C LEU A 279 -12.047 -0.699 -4.503 1.00 0.00 C ATOM 573 O LEU A 279 -12.582 0.306 -4.988 1.00 0.00 O ATOM 574 CB LEU A 279 -9.502 -0.764 -4.416 1.00 0.00 C ATOM 575 CG LEU A 279 -8.218 -1.521 -4.809 1.00 0.00 C ATOM 576 CD1 LEU A 279 -7.012 -0.848 -4.153 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.276 -2.986 -4.344 1.00 0.00 C ATOM 0 H LEU A 279 -10.306 0.002 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.828 -2.351 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.368 0.297 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.654 -0.857 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.128 -1.498 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.103 -1.382 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.943 0.186 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.129 -0.868 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.358 -3.497 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.383 -3.020 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.129 -3.482 -4.808 1.00 0.00 H new ATOM 589 N PRO A 280 -12.550 -1.336 -3.424 1.00 0.00 N ATOM 590 CA PRO A 280 -13.802 -0.971 -2.767 1.00 0.00 C ATOM 591 C PRO A 280 -13.667 0.325 -1.958 1.00 0.00 C ATOM 592 O PRO A 280 -12.619 0.614 -1.386 1.00 0.00 O ATOM 593 CB PRO A 280 -14.158 -2.167 -1.874 1.00 0.00 C ATOM 594 CG PRO A 280 -12.813 -2.824 -1.575 1.00 0.00 C ATOM 595 CD PRO A 280 -11.991 -2.538 -2.821 1.00 0.00 C ATOM 0 HA PRO A 280 -14.588 -0.768 -3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.657 -1.847 -0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.834 -2.856 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.350 -2.402 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.919 -3.895 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.941 -2.391 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.037 -3.377 -3.516 1.00 0.00 H new ATOM 603 N ASP A 281 -14.763 1.087 -1.867 1.00 0.00 N ATOM 604 CA ASP A 281 -14.851 2.322 -1.068 1.00 0.00 C ATOM 605 C ASP A 281 -14.825 2.064 0.455 1.00 0.00 C ATOM 606 O ASP A 281 -14.636 2.991 1.240 1.00 0.00 O ATOM 607 CB ASP A 281 -16.125 3.090 -1.459 1.00 0.00 C ATOM 608 CG ASP A 281 -16.101 3.572 -2.919 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.434 4.597 -3.201 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.769 2.941 -3.773 1.00 0.00 O ATOM 0 H ASP A 281 -15.631 0.862 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.966 2.918 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.993 2.448 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.244 3.949 -0.799 1.00 0.00 H new ATOM 615 N ASN A 282 -14.955 0.800 0.867 1.00 0.00 N ATOM 616 CA ASN A 282 -14.921 0.330 2.255 1.00 0.00 C ATOM 617 C ASN A 282 -13.767 -0.672 2.481 1.00 0.00 C ATOM 618 O ASN A 282 -13.865 -1.579 3.312 1.00 0.00 O ATOM 619 CB ASN A 282 -16.304 -0.246 2.611 1.00 0.00 C ATOM 620 CG ASN A 282 -17.410 0.807 2.544 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.438 1.759 3.316 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.358 0.668 1.631 1.00 0.00 N ATOM 0 H ASN A 282 -15.094 0.036 0.206 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.715 1.161 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.541 -1.062 1.928 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.270 -0.670 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.111 1.353 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.335 -0.124 0.988 1.00 0.00 H new ATOM 629 N TRP A 283 -12.672 -0.532 1.719 1.00 0.00 N ATOM 630 CA TRP A 283 -11.426 -1.273 1.929 1.00 0.00 C ATOM 631 C TRP A 283 -10.880 -1.077 3.357 1.00 0.00 C ATOM 632 O TRP A 283 -10.836 0.040 3.867 1.00 0.00 O ATOM 633 CB TRP A 283 -10.380 -0.840 0.893 1.00 0.00 C ATOM 634 CG TRP A 283 -9.191 -1.737 0.885 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.012 -2.796 0.066 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.056 -1.729 1.802 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.856 -3.463 0.431 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.250 -2.869 1.520 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.652 -0.901 2.874 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.117 -3.180 2.282 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.531 -1.215 3.655 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.771 -2.357 3.363 1.00 0.00 C ATOM 0 H TRP A 283 -12.630 0.110 0.928 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.641 -2.334 1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.834 -0.833 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.062 0.181 1.105 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.667 -3.077 -0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.496 -4.290 -0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.218 -0.009 3.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.516 -4.044 2.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.253 -0.578 4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.915 -2.604 3.974 1.00 0.00 H new ATOM 653 N SER A 284 -10.415 -2.150 3.987 1.00 0.00 N ATOM 654 CA SER A 284 -9.866 -2.172 5.350 1.00 0.00 C ATOM 655 C SER A 284 -8.689 -3.152 5.435 1.00 0.00 C ATOM 656 O SER A 284 -8.475 -3.936 4.509 1.00 0.00 O ATOM 657 CB SER A 284 -10.963 -2.570 6.352 1.00 0.00 C ATOM 658 OG SER A 284 -11.453 -3.888 6.111 1.00 0.00 O ATOM 0 H SER A 284 -10.407 -3.071 3.548 1.00 0.00 H new ATOM 0 HA SER A 284 -9.505 -1.174 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.567 -2.510 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.787 -1.859 6.289 1.00 0.00 H new ATOM 0 HG SER A 284 -12.147 -4.104 6.768 1.00 0.00 H new ATOM 664 N CYS A 285 -7.945 -3.152 6.546 1.00 0.00 N ATOM 665 CA CYS A 285 -6.821 -4.074 6.761 1.00 0.00 C ATOM 666 C CYS A 285 -7.200 -5.558 6.506 1.00 0.00 C ATOM 667 O CYS A 285 -6.374 -6.340 6.038 1.00 0.00 O ATOM 668 CB CYS A 285 -6.284 -3.930 8.199 1.00 0.00 C ATOM 669 SG CYS A 285 -5.781 -2.240 8.626 1.00 0.00 S ATOM 0 H CYS A 285 -8.104 -2.512 7.324 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.053 -3.801 6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.053 -4.258 8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.431 -4.596 8.327 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.802 -1.442 8.516 1.00 0.00 H new ATOM 674 N ASP A 286 -8.456 -5.941 6.761 1.00 0.00 N ATOM 675 CA ASP A 286 -9.011 -7.281 6.504 1.00 0.00 C ATOM 676 C ASP A 286 -9.046 -7.666 5.007 1.00 0.00 C ATOM 677 O ASP A 286 -9.199 -8.840 4.665 1.00 0.00 O ATOM 678 CB ASP A 286 -10.417 -7.336 7.123 1.00 0.00 C ATOM 679 CG ASP A 286 -11.040 -8.742 7.090 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.546 -9.636 7.819 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.049 -8.937 6.371 1.00 0.00 O ATOM 0 H ASP A 286 -9.142 -5.305 7.167 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.351 -8.017 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.366 -6.993 8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.069 -6.644 6.589 1.00 0.00 H new ATOM 686 N GLN A 287 -8.874 -6.690 4.113 1.00 0.00 N ATOM 687 CA GLN A 287 -8.927 -6.819 2.654 1.00 0.00 C ATOM 688 C GLN A 287 -7.526 -6.692 2.010 1.00 0.00 C ATOM 689 O GLN A 287 -7.403 -6.503 0.798 1.00 0.00 O ATOM 690 CB GLN A 287 -9.943 -5.780 2.136 1.00 0.00 C ATOM 691 CG GLN A 287 -11.382 -6.122 2.569 1.00 0.00 C ATOM 692 CD GLN A 287 -12.345 -4.952 2.379 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.833 -4.681 1.291 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.645 -4.204 3.420 1.00 0.00 N ATOM 0 H GLN A 287 -8.683 -5.732 4.405 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.262 -7.816 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.676 -4.792 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.892 -5.733 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.737 -6.977 1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.381 -6.421 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.246 -4.418 4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.277 -3.411 3.313 1.00 0.00 H new ATOM 703 N ASN A 288 -6.458 -6.812 2.809 1.00 0.00 N ATOM 704 CA ASN A 288 -5.062 -6.790 2.354 1.00 0.00 C ATOM 705 C ASN A 288 -4.626 -8.081 1.633 1.00 0.00 C ATOM 706 O ASN A 288 -5.183 -9.160 1.863 1.00 0.00 O ATOM 707 CB ASN A 288 -4.141 -6.505 3.554 1.00 0.00 C ATOM 708 CG ASN A 288 -2.781 -5.972 3.120 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.684 -5.103 2.266 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.692 -6.503 3.643 1.00 0.00 N ATOM 0 H ASN A 288 -6.544 -6.930 3.818 1.00 0.00 H new ATOM 0 HA ASN A 288 -4.979 -5.995 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.620 -5.781 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.004 -7.420 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.772 -6.188 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.770 -7.228 4.356 1.00 0.00 H new ATOM 717 N THR A 289 -3.584 -7.975 0.795 1.00 0.00 N ATOM 718 CA THR A 289 -2.990 -9.096 0.042 1.00 0.00 C ATOM 719 C THR A 289 -1.857 -9.792 0.791 1.00 0.00 C ATOM 720 O THR A 289 -1.521 -10.928 0.459 1.00 0.00 O ATOM 721 CB THR A 289 -2.483 -8.620 -1.324 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.626 -7.512 -1.147 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.632 -8.196 -2.239 1.00 0.00 C ATOM 0 H THR A 289 -3.117 -7.086 0.616 1.00 0.00 H new ATOM 0 HA THR A 289 -3.788 -9.827 -0.089 1.00 0.00 H new ATOM 0 HB THR A 289 -1.956 -9.454 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.300 -7.208 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.231 -7.865 -3.197 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.301 -9.041 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.184 -7.379 -1.775 1.00 0.00 H new ATOM 731 N ASP A 290 -1.291 -9.146 1.813 1.00 0.00 N ATOM 732 CA ASP A 290 -0.154 -9.634 2.599 1.00 0.00 C ATOM 733 C ASP A 290 -0.596 -10.018 4.023 1.00 0.00 C ATOM 734 O ASP A 290 -1.063 -9.169 4.788 1.00 0.00 O ATOM 735 CB ASP A 290 0.960 -8.564 2.616 1.00 0.00 C ATOM 736 CG ASP A 290 2.299 -9.120 2.103 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.760 -10.149 2.650 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.876 -8.532 1.156 1.00 0.00 O ATOM 0 H ASP A 290 -1.624 -8.235 2.128 1.00 0.00 H new ATOM 0 HA ASP A 290 0.243 -10.536 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.659 -7.717 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 290 1.088 -8.190 3.632 1.00 0.00 H new ATOM 743 N VAL A 291 -0.433 -11.294 4.387 1.00 0.00 N ATOM 744 CA VAL A 291 -0.941 -11.879 5.654 1.00 0.00 C ATOM 745 C VAL A 291 -0.241 -11.335 6.904 1.00 0.00 C ATOM 746 O VAL A 291 -0.756 -11.447 8.015 1.00 0.00 O ATOM 747 CB VAL A 291 -0.859 -13.423 5.681 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.698 -14.025 4.545 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.588 -13.944 5.592 1.00 0.00 C ATOM 0 H VAL A 291 0.063 -11.970 3.806 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.987 -11.573 5.679 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.260 -13.740 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.629 -15.112 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.739 -13.724 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.322 -13.667 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.584 -15.034 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.041 -13.602 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.164 -13.565 6.436 1.00 0.00 H new ATOM 759 N GLN A 292 0.927 -10.721 6.712 1.00 0.00 N ATOM 760 CA GLN A 292 1.704 -10.047 7.750 1.00 0.00 C ATOM 761 C GLN A 292 1.044 -8.761 8.262 1.00 0.00 C ATOM 762 O GLN A 292 1.393 -8.307 9.350 1.00 0.00 O ATOM 763 CB GLN A 292 3.137 -9.795 7.251 1.00 0.00 C ATOM 764 CG GLN A 292 3.258 -9.419 5.766 1.00 0.00 C ATOM 765 CD GLN A 292 4.621 -8.836 5.380 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.722 -7.791 4.751 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.722 -9.472 5.733 1.00 0.00 N ATOM 0 H GLN A 292 1.373 -10.678 5.796 1.00 0.00 H new ATOM 0 HA GLN A 292 1.742 -10.713 8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.577 -8.996 7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.730 -10.692 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.069 -10.306 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.482 -8.694 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.661 -10.345 6.258 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.634 -9.091 5.481 1.00 0.00 H new ATOM 776 N TYR A 293 0.073 -8.202 7.527 1.00 0.00 N ATOM 777 CA TYR A 293 -0.647 -6.970 7.891 1.00 0.00 C ATOM 778 C TYR A 293 -2.145 -7.010 7.515 1.00 0.00 C ATOM 779 O TYR A 293 -2.768 -5.974 7.283 1.00 0.00 O ATOM 780 CB TYR A 293 0.076 -5.743 7.309 1.00 0.00 C ATOM 781 CG TYR A 293 1.493 -5.541 7.811 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.714 -4.796 8.983 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.585 -6.118 7.137 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.017 -4.626 9.485 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.888 -5.977 7.646 1.00 0.00 C ATOM 786 CZ TYR A 293 4.110 -5.232 8.826 1.00 0.00 C ATOM 787 OH TYR A 293 5.366 -5.126 9.340 1.00 0.00 O ATOM 0 H TYR A 293 -0.242 -8.601 6.643 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.634 -6.889 8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.100 -5.834 6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.507 -4.852 7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.877 -4.351 9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.422 -6.672 6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.182 -4.033 10.373 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.720 -6.438 7.135 1.00 0.00 H new ATOM 0 HH TYR A 293 5.997 -5.602 8.761 1.00 0.00 H new ATOM 797 N ASN A 294 -2.736 -8.208 7.459 1.00 0.00 N ATOM 798 CA ASN A 294 -4.125 -8.430 7.027 1.00 0.00 C ATOM 799 C ASN A 294 -5.183 -8.265 8.145 1.00 0.00 C ATOM 800 O ASN A 294 -6.291 -8.796 8.037 1.00 0.00 O ATOM 801 CB ASN A 294 -4.238 -9.773 6.285 1.00 0.00 C ATOM 802 CG ASN A 294 -4.228 -11.001 7.198 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.862 -10.950 8.367 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.640 -12.148 6.685 1.00 0.00 N ATOM 0 H ASN A 294 -2.255 -9.069 7.717 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.369 -7.627 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.159 -9.776 5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.413 -9.854 5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.653 -12.989 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.945 -12.192 5.713 1.00 0.00 H new ATOM 811 N ARG A 295 -4.837 -7.558 9.231 1.00 0.00 N ATOM 812 CA ARG A 295 -5.694 -7.310 10.397 1.00 0.00 C ATOM 813 C ARG A 295 -5.490 -5.914 10.977 1.00 0.00 C ATOM 814 O ARG A 295 -4.362 -5.464 11.168 1.00 0.00 O ATOM 815 CB ARG A 295 -5.380 -8.339 11.492 1.00 0.00 C ATOM 816 CG ARG A 295 -6.248 -9.596 11.394 1.00 0.00 C ATOM 817 CD ARG A 295 -5.804 -10.592 12.466 1.00 0.00 C ATOM 818 NE ARG A 295 -6.701 -11.758 12.527 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.580 -12.803 13.341 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.601 -12.896 14.217 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.459 -13.781 13.281 1.00 0.00 N ATOM 0 H ARG A 295 -3.917 -7.127 9.323 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.728 -7.395 10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.330 -8.623 11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.525 -7.878 12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.299 -9.340 11.530 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.154 -10.042 10.404 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.788 -10.925 12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.783 -10.097 13.437 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.492 -11.765 11.883 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.906 -12.153 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.538 -13.711 14.826 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.228 -13.735 12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.371 -14.585 13.903 1.00 0.00 H new ATOM 835 N CYS A 296 -6.592 -5.288 11.379 1.00 0.00 N ATOM 836 CA CYS A 296 -6.647 -3.990 12.051 1.00 0.00 C ATOM 837 C CYS A 296 -5.949 -3.929 13.428 1.00 0.00 C ATOM 838 O CYS A 296 -5.663 -2.842 13.937 1.00 0.00 O ATOM 839 CB CYS A 296 -8.134 -3.646 12.194 1.00 0.00 C ATOM 840 SG CYS A 296 -8.711 -2.756 10.725 1.00 0.00 S ATOM 0 H CYS A 296 -7.518 -5.691 11.239 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.093 -3.272 11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.715 -4.558 12.328 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.290 -3.036 13.083 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.701 -2.500 9.948 1.00 0.00 H new ATOM 845 N ASP A 297 -5.659 -5.087 14.025 1.00 0.00 N ATOM 846 CA ASP A 297 -4.989 -5.213 15.319 1.00 0.00 C ATOM 847 C ASP A 297 -3.461 -5.308 15.148 1.00 0.00 C ATOM 848 O ASP A 297 -2.718 -5.381 16.127 1.00 0.00 O ATOM 849 CB ASP A 297 -5.607 -6.418 16.039 1.00 0.00 C ATOM 850 CG ASP A 297 -5.165 -6.546 17.507 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.445 -5.620 18.306 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.584 -7.598 17.868 1.00 0.00 O ATOM 0 H ASP A 297 -5.891 -5.989 13.608 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.142 -4.325 15.933 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.693 -6.337 16.000 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.336 -7.329 15.505 1.00 0.00 H new ATOM 857 N ILE A 298 -2.986 -5.273 13.896 1.00 0.00 N ATOM 858 CA ILE A 298 -1.568 -5.279 13.534 1.00 0.00 C ATOM 859 C ILE A 298 -1.107 -3.832 13.293 1.00 0.00 C ATOM 860 O ILE A 298 -1.778 -3.104 12.550 1.00 0.00 O ATOM 861 CB ILE A 298 -1.298 -6.169 12.299 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.846 -7.588 12.554 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.208 -6.210 12.002 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.596 -8.591 11.419 1.00 0.00 C ATOM 0 H ILE A 298 -3.601 -5.239 13.083 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.994 -5.708 14.356 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.806 -5.751 11.430 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.397 -7.976 13.468 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.920 -7.521 12.730 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.390 -6.839 11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.567 -5.200 11.802 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.737 -6.620 12.862 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.017 -9.559 11.690 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.070 -8.232 10.505 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.523 -8.695 11.255 1.00 0.00 H new ATOM 876 N PRO A 299 0.036 -3.418 13.872 1.00 0.00 N ATOM 877 CA PRO A 299 0.585 -2.074 13.730 1.00 0.00 C ATOM 878 C PRO A 299 0.971 -1.747 12.282 1.00 0.00 C ATOM 879 O PRO A 299 1.143 -2.636 11.452 1.00 0.00 O ATOM 880 CB PRO A 299 1.795 -2.045 14.668 1.00 0.00 C ATOM 881 CG PRO A 299 2.233 -3.503 14.780 1.00 0.00 C ATOM 882 CD PRO A 299 0.913 -4.255 14.678 1.00 0.00 C ATOM 0 HA PRO A 299 -0.150 -1.312 13.989 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.593 -1.421 14.265 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.531 -1.635 15.643 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.921 -3.782 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.741 -3.702 15.723 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.055 -5.231 14.215 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.486 -4.430 15.666 1.00 0.00 H new ATOM 890 N GLU A 300 1.097 -0.455 11.973 1.00 0.00 N ATOM 891 CA GLU A 300 1.476 0.044 10.657 1.00 0.00 C ATOM 892 C GLU A 300 2.933 -0.330 10.303 1.00 0.00 C ATOM 893 O GLU A 300 3.823 -0.269 11.158 1.00 0.00 O ATOM 894 CB GLU A 300 1.262 1.571 10.651 1.00 0.00 C ATOM 895 CG GLU A 300 0.875 2.038 9.252 1.00 0.00 C ATOM 896 CD GLU A 300 0.840 3.564 9.085 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.700 4.283 9.649 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.059 4.041 8.358 1.00 0.00 O ATOM 0 H GLU A 300 0.933 0.289 12.651 1.00 0.00 H new ATOM 0 HA GLU A 300 0.854 -0.420 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.481 1.840 11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.173 2.075 10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.581 1.621 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.107 1.634 9.005 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.924 5.269 1.203 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.996 6.137 0.454 1.00 0.00 C ATOM 1029 C ARG B 2 -6.956 5.289 -0.273 1.00 0.00 C ATOM 1030 O ARG B 2 -6.645 4.174 0.154 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.298 7.153 1.377 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.153 8.536 0.724 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.525 9.537 1.703 1.00 0.00 C ATOM 1034 NE ARG B 2 -6.366 10.867 1.085 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.282 11.827 0.999 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -8.498 11.680 1.482 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -6.982 12.964 0.407 1.00 0.00 N ATOM 0 HA ARG B 2 -8.581 6.697 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.866 7.249 2.302 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.311 6.776 1.647 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.535 8.458 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.131 8.897 0.405 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.150 9.620 2.592 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.553 9.168 2.030 1.00 0.00 H new ATOM 0 HE ARG B 2 -5.453 11.073 0.679 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -8.763 10.808 1.940 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -9.175 12.438 1.398 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -6.050 13.105 0.017 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.681 13.703 0.339 1.00 0.00 H new ATOM 1051 N THR B 3 -6.396 5.847 -1.342 1.00 0.00 N ATOM 1052 CA THR B 3 -5.383 5.222 -2.201 1.00 0.00 C ATOM 1053 C THR B 3 -4.329 6.244 -2.587 1.00 0.00 C ATOM 1054 O THR B 3 -4.624 7.418 -2.811 1.00 0.00 O ATOM 1055 CB THR B 3 -6.003 4.595 -3.459 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.949 5.459 -4.053 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.673 3.257 -3.155 1.00 0.00 C ATOM 0 H THR B 3 -6.643 6.787 -1.651 1.00 0.00 H new ATOM 0 HA THR B 3 -4.918 4.417 -1.632 1.00 0.00 H new ATOM 0 HB THR B 3 -5.181 4.428 -4.155 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.325 5.033 -4.852 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.099 2.847 -4.071 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.934 2.562 -2.756 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.465 3.405 -2.421 1.00 0.00 H new