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= 0.442 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.897 K(o=1.3,f=0.8) USER MOD Set 2.1: A 259 CYS SG : rot -175:sc= 1.13 USER MOD Set 2.2: A 264 CYS SG : rot 147:sc= 1.93 USER MOD Set 2.3: A 266 LYS NZ :NH3+ -106:sc= 0.984 (180deg=-0.0454) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 3 USER MOD Set 2.5: A 296 CYS SG : rot -10:sc= 1.32 USER MOD Single : A 258 GLN : amide:sc= 0.798 K(o=0.8,f=-1.8!) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.0962 K(o=-0.096,f=-0.75) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.55) 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= -0.233 K(o=-0.23,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.534 0.733 -4.963 1.00 0.00 N ATOM 195 CA VAL A 255 0.206 1.175 -4.499 1.00 0.00 C ATOM 196 C VAL A 255 0.042 0.893 -3.000 1.00 0.00 C ATOM 197 O VAL A 255 0.350 -0.203 -2.527 1.00 0.00 O ATOM 198 CB VAL A 255 -0.929 0.494 -5.306 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.318 1.043 -4.929 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.729 0.671 -6.824 1.00 0.00 C ATOM 0 HA VAL A 255 0.134 2.250 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.883 -0.565 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.082 0.537 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.503 0.868 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.353 2.113 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.543 0.181 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.722 1.733 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.220 0.224 -7.120 1.00 0.00 H new ATOM 210 N TRP A 256 -0.490 1.881 -2.276 1.00 0.00 N ATOM 211 CA TRP A 256 -0.866 1.786 -0.862 1.00 0.00 C ATOM 212 C TRP A 256 -2.349 2.157 -0.668 1.00 0.00 C ATOM 213 O TRP A 256 -2.881 3.030 -1.358 1.00 0.00 O ATOM 214 CB TRP A 256 0.018 2.718 -0.021 1.00 0.00 C ATOM 215 CG TRP A 256 1.459 2.362 0.175 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.466 2.662 -0.671 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.088 1.675 1.302 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.667 2.249 -0.130 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.492 1.603 1.069 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.613 1.098 2.497 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.377 0.963 1.950 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.484 0.418 3.372 1.00 0.00 C ATOM 223 CH2 TRP A 256 3.862 0.343 3.098 1.00 0.00 C ATOM 0 H TRP A 256 -0.678 2.802 -2.672 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.719 0.757 -0.534 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.019 3.708 -0.477 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.438 2.804 0.965 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.350 3.151 -1.627 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.575 2.405 -0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.565 1.178 2.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.438 0.948 1.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.090 -0.050 4.262 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.520 -0.190 3.769 1.00 0.00 H new ATOM 234 N VAL A 257 -2.996 1.520 0.310 1.00 0.00 N ATOM 235 CA VAL A 257 -4.434 1.666 0.627 1.00 0.00 C ATOM 236 C VAL A 257 -4.645 1.978 2.104 1.00 0.00 C ATOM 237 O VAL A 257 -4.042 1.327 2.953 1.00 0.00 O ATOM 238 CB VAL A 257 -5.241 0.391 0.282 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.668 0.404 -1.182 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.482 -0.913 0.576 1.00 0.00 C ATOM 0 H VAL A 257 -2.524 0.863 0.930 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.793 2.493 0.014 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.116 0.410 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.234 -0.501 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.292 1.278 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.784 0.444 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.107 -1.766 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.564 -0.940 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.236 -0.960 1.637 1.00 0.00 H new ATOM 250 N GLN A 258 -5.495 2.964 2.406 1.00 0.00 N ATOM 251 CA GLN A 258 -5.803 3.381 3.774 1.00 0.00 C ATOM 252 C GLN A 258 -7.091 2.721 4.282 1.00 0.00 C ATOM 253 O GLN A 258 -8.128 2.756 3.613 1.00 0.00 O ATOM 254 CB GLN A 258 -5.888 4.912 3.862 1.00 0.00 C ATOM 255 CG GLN A 258 -5.947 5.417 5.317 1.00 0.00 C ATOM 256 CD GLN A 258 -5.800 6.938 5.424 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.370 7.711 4.664 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.035 7.434 6.374 1.00 0.00 N ATOM 0 H GLN A 258 -5.994 3.501 1.697 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.992 3.048 4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.023 5.350 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.773 5.255 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.895 5.116 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.156 4.939 5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.551 6.808 7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.926 8.444 6.466 1.00 0.00 H new ATOM 267 N CYS A 259 -7.011 2.157 5.490 1.00 0.00 N ATOM 268 CA CYS A 259 -8.102 1.508 6.208 1.00 0.00 C ATOM 269 C CYS A 259 -9.343 2.416 6.365 1.00 0.00 C ATOM 270 O CYS A 259 -9.233 3.613 6.655 1.00 0.00 O ATOM 271 CB CYS A 259 -7.535 1.083 7.568 1.00 0.00 C ATOM 272 SG CYS A 259 -8.649 -0.100 8.366 1.00 0.00 S ATOM 0 H CYS A 259 -6.138 2.142 6.017 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.461 0.648 5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.550 0.635 7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.404 1.958 8.205 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.209 -0.374 9.558 1.00 0.00 H new ATOM 277 N SER A 260 -10.535 1.849 6.182 1.00 0.00 N ATOM 278 CA SER A 260 -11.822 2.553 6.293 1.00 0.00 C ATOM 279 C SER A 260 -12.166 3.016 7.721 1.00 0.00 C ATOM 280 O SER A 260 -12.928 3.975 7.880 1.00 0.00 O ATOM 281 CB SER A 260 -12.966 1.683 5.749 1.00 0.00 C ATOM 282 OG SER A 260 -13.045 0.431 6.418 1.00 0.00 O ATOM 0 H SER A 260 -10.640 0.862 5.946 1.00 0.00 H new ATOM 0 HA SER A 260 -11.709 3.454 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.911 2.215 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.819 1.516 4.682 1.00 0.00 H new ATOM 0 HG SER A 260 -13.785 -0.093 6.046 1.00 0.00 H new ATOM 288 N PHE A 261 -11.604 2.386 8.762 1.00 0.00 N ATOM 289 CA PHE A 261 -11.839 2.778 10.150 1.00 0.00 C ATOM 290 C PHE A 261 -11.013 4.014 10.548 1.00 0.00 C ATOM 291 O PHE A 261 -9.807 4.059 10.283 1.00 0.00 O ATOM 292 CB PHE A 261 -11.556 1.608 11.095 1.00 0.00 C ATOM 293 CG PHE A 261 -12.505 0.439 10.950 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.822 0.534 11.437 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.065 -0.753 10.344 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.696 -0.562 11.316 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.934 -1.851 10.234 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.252 -1.755 10.716 1.00 0.00 C ATOM 0 H PHE A 261 -10.974 1.590 8.661 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.890 3.052 10.238 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.539 1.257 10.923 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.599 1.969 12.123 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.161 1.447 11.903 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.057 -0.823 9.963 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.709 -0.488 11.684 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.590 -2.769 9.780 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.923 -2.597 10.626 1.00 0.00 H new ATOM 308 N PRO A 262 -11.634 4.988 11.243 1.00 0.00 N ATOM 309 CA PRO A 262 -10.981 6.217 11.685 1.00 0.00 C ATOM 310 C PRO A 262 -9.989 5.971 12.831 1.00 0.00 C ATOM 311 O PRO A 262 -8.974 6.658 12.927 1.00 0.00 O ATOM 312 CB PRO A 262 -12.135 7.114 12.135 1.00 0.00 C ATOM 313 CG PRO A 262 -13.210 6.144 12.616 1.00 0.00 C ATOM 314 CD PRO A 262 -13.026 4.962 11.675 1.00 0.00 C ATOM 0 HA PRO A 262 -10.383 6.664 10.891 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.825 7.789 12.932 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.498 7.734 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -13.065 5.860 13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.209 6.573 12.539 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.258 4.024 12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.699 5.038 10.821 1.00 0.00 H new ATOM 322 N ASN A 263 -10.255 4.959 13.665 1.00 0.00 N ATOM 323 CA ASN A 263 -9.354 4.495 14.727 1.00 0.00 C ATOM 324 C ASN A 263 -8.147 3.679 14.203 1.00 0.00 C ATOM 325 O ASN A 263 -7.223 3.385 14.969 1.00 0.00 O ATOM 326 CB ASN A 263 -10.172 3.716 15.775 1.00 0.00 C ATOM 327 CG ASN A 263 -10.845 2.469 15.204 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.197 1.505 14.819 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.163 2.457 15.115 1.00 0.00 N ATOM 0 H ASN A 263 -11.124 4.427 13.619 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.907 5.372 15.194 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.516 3.424 16.595 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.934 4.373 16.194 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.640 1.644 14.725 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.703 3.261 15.436 1.00 0.00 H new ATOM 336 N CYS A 264 -8.137 3.358 12.903 1.00 0.00 N ATOM 337 CA CYS A 264 -7.020 2.754 12.181 1.00 0.00 C ATOM 338 C CYS A 264 -6.292 3.854 11.396 1.00 0.00 C ATOM 339 O CYS A 264 -5.262 4.363 11.845 1.00 0.00 O ATOM 340 CB CYS A 264 -7.560 1.627 11.279 1.00 0.00 C ATOM 341 SG CYS A 264 -6.503 0.158 11.301 1.00 0.00 S ATOM 0 H CYS A 264 -8.945 3.521 12.303 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.297 2.304 12.861 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.564 1.354 11.605 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.646 1.994 10.256 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.236 -0.906 11.156 1.00 0.00 H new ATOM 346 N GLY A 265 -6.826 4.211 10.217 1.00 0.00 N ATOM 347 CA GLY A 265 -6.196 5.121 9.267 1.00 0.00 C ATOM 348 C GLY A 265 -4.858 4.599 8.742 1.00 0.00 C ATOM 349 O GLY A 265 -4.082 5.368 8.174 1.00 0.00 O ATOM 0 H GLY A 265 -7.730 3.863 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.871 5.286 8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -6.041 6.088 9.746 1.00 0.00 H new ATOM 353 N LYS A 266 -4.569 3.308 8.941 1.00 0.00 N ATOM 354 CA LYS A 266 -3.304 2.687 8.561 1.00 0.00 C ATOM 355 C LYS A 266 -3.213 2.490 7.048 1.00 0.00 C ATOM 356 O LYS A 266 -4.202 2.131 6.406 1.00 0.00 O ATOM 357 CB LYS A 266 -3.136 1.334 9.264 1.00 0.00 C ATOM 358 CG LYS A 266 -3.051 1.451 10.784 1.00 0.00 C ATOM 359 CD LYS A 266 -2.805 0.050 11.348 1.00 0.00 C ATOM 360 CE LYS A 266 -2.706 0.069 12.866 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.016 0.393 13.495 1.00 0.00 N ATOM 0 H LYS A 266 -5.222 2.658 9.379 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.504 3.359 8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.975 0.689 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.233 0.849 8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.244 2.125 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.974 1.869 11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.615 -0.613 11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.885 -0.356 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.361 -0.902 13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.962 0.804 13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -3.994 1.366 13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.772 0.306 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.198 -0.267 14.278 1.00 0.00 H new ATOM 375 N TRP A 267 -2.017 2.662 6.491 1.00 0.00 N ATOM 376 CA TRP A 267 -1.721 2.326 5.102 1.00 0.00 C ATOM 377 C TRP A 267 -1.152 0.904 5.034 1.00 0.00 C ATOM 378 O TRP A 267 -0.224 0.580 5.771 1.00 0.00 O ATOM 379 CB TRP A 267 -0.764 3.374 4.519 1.00 0.00 C ATOM 380 CG TRP A 267 -1.332 4.758 4.427 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.290 5.694 5.401 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.062 5.371 3.322 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.931 6.841 4.974 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.435 6.696 3.698 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.458 4.936 2.040 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.162 7.543 2.847 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.201 5.769 1.183 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.541 7.074 1.577 1.00 0.00 C ATOM 0 H TRP A 267 -1.218 3.043 6.997 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.628 2.342 4.498 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.136 3.405 5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.460 3.054 3.523 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.825 5.565 6.367 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.020 7.690 5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.186 3.944 1.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.427 8.541 3.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.512 5.403 0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.092 7.716 0.906 1.00 0.00 H new ATOM 399 N ARG A 268 -1.695 0.057 4.152 1.00 0.00 N ATOM 400 CA ARG A 268 -1.137 -1.264 3.829 1.00 0.00 C ATOM 401 C ARG A 268 -0.703 -1.307 2.361 1.00 0.00 C ATOM 402 O ARG A 268 -1.261 -0.594 1.516 1.00 0.00 O ATOM 403 CB ARG A 268 -2.125 -2.403 4.130 1.00 0.00 C ATOM 404 CG ARG A 268 -2.818 -2.367 5.502 1.00 0.00 C ATOM 405 CD ARG A 268 -1.877 -2.396 6.706 1.00 0.00 C ATOM 406 NE ARG A 268 -2.660 -2.556 7.938 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.190 -2.697 9.165 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.925 -2.521 9.474 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.022 -3.011 10.119 1.00 0.00 N ATOM 0 H ARG A 268 -2.547 0.272 3.634 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.267 -1.417 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.895 -2.399 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.591 -3.349 4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.428 -1.466 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.497 -3.217 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.166 -3.216 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.296 -1.475 6.749 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.675 -2.559 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.254 -2.263 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.614 -2.642 10.438 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.012 -3.142 9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.683 -3.125 11.074 1.00 0.00 H new ATOM 423 N ARG A 269 0.318 -2.122 2.089 1.00 0.00 N ATOM 424 CA ARG A 269 0.997 -2.238 0.796 1.00 0.00 C ATOM 425 C ARG A 269 0.342 -3.316 -0.079 1.00 0.00 C ATOM 426 O ARG A 269 -0.041 -4.368 0.433 1.00 0.00 O ATOM 427 CB ARG A 269 2.472 -2.597 1.051 1.00 0.00 C ATOM 428 CG ARG A 269 3.389 -2.039 -0.045 1.00 0.00 C ATOM 429 CD ARG A 269 4.535 -2.988 -0.397 1.00 0.00 C ATOM 430 NE ARG A 269 4.069 -4.048 -1.311 1.00 0.00 N ATOM 431 CZ ARG A 269 4.588 -5.256 -1.482 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.639 -5.681 -0.813 1.00 0.00 N ATOM 433 NH2 ARG A 269 4.030 -6.056 -2.362 1.00 0.00 N ATOM 0 H ARG A 269 0.711 -2.746 2.794 1.00 0.00 H new ATOM 0 HA ARG A 269 0.922 -1.289 0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.780 -2.203 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.580 -3.681 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.799 -1.841 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.801 -1.085 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.347 -2.429 -0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.937 -3.435 0.512 1.00 0.00 H new ATOM 0 HE ARG A 269 3.251 -3.825 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.089 -5.072 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.004 -6.619 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 269 3.218 -5.742 -2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.409 -6.991 -2.514 1.00 0.00 H new ATOM 447 N LEU A 270 0.255 -3.076 -1.390 1.00 0.00 N ATOM 448 CA LEU A 270 -0.333 -4.002 -2.373 1.00 0.00 C ATOM 449 C LEU A 270 0.713 -4.514 -3.380 1.00 0.00 C ATOM 450 O LEU A 270 1.894 -4.165 -3.306 1.00 0.00 O ATOM 451 CB LEU A 270 -1.526 -3.300 -3.061 1.00 0.00 C ATOM 452 CG LEU A 270 -2.654 -2.848 -2.112 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.765 -2.220 -2.956 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.251 -3.998 -1.283 1.00 0.00 C ATOM 0 H LEU A 270 0.598 -2.213 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.697 -4.892 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.154 -2.428 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.947 -3.977 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.223 -2.139 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.575 -1.892 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.368 -1.363 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.144 -2.956 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.039 -3.610 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.668 -4.751 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.470 -4.449 -0.671 1.00 0.00 H new ATOM 529 N PRO A 276 -5.667 1.069 -7.878 1.00 0.00 N ATOM 530 CA PRO A 276 -6.603 1.670 -6.935 1.00 0.00 C ATOM 531 C PRO A 276 -7.970 2.026 -7.539 1.00 0.00 C ATOM 532 O PRO A 276 -8.930 2.181 -6.787 1.00 0.00 O ATOM 533 CB PRO A 276 -5.878 2.878 -6.341 1.00 0.00 C ATOM 534 CG PRO A 276 -4.855 3.254 -7.405 1.00 0.00 C ATOM 535 CD PRO A 276 -4.493 1.916 -8.038 1.00 0.00 C ATOM 0 HA PRO A 276 -6.871 0.948 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.567 3.699 -6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.397 2.629 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.273 3.945 -8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.983 3.741 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.240 2.038 -9.091 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.624 1.475 -7.550 1.00 0.00 H new ATOM 543 N SER A 277 -8.116 2.077 -8.868 1.00 0.00 N ATOM 544 CA SER A 277 -9.411 2.261 -9.534 1.00 0.00 C ATOM 545 C SER A 277 -10.256 0.972 -9.612 1.00 0.00 C ATOM 546 O SER A 277 -11.408 1.041 -10.047 1.00 0.00 O ATOM 547 CB SER A 277 -9.198 2.853 -10.937 1.00 0.00 C ATOM 548 OG SER A 277 -8.559 4.128 -10.901 1.00 0.00 O ATOM 0 H SER A 277 -7.333 1.991 -9.516 1.00 0.00 H new ATOM 0 HA SER A 277 -9.983 2.956 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.596 2.165 -11.530 1.00 0.00 H new ATOM 0 HB3 SER A 277 -10.161 2.947 -11.438 1.00 0.00 H new ATOM 0 HG SER A 277 -8.444 4.462 -11.815 1.00 0.00 H new ATOM 554 N VAL A 278 -9.737 -0.187 -9.166 1.00 0.00 N ATOM 555 CA VAL A 278 -10.500 -1.455 -9.043 1.00 0.00 C ATOM 556 C VAL A 278 -10.622 -1.950 -7.586 1.00 0.00 C ATOM 557 O VAL A 278 -10.831 -3.141 -7.346 1.00 0.00 O ATOM 558 CB VAL A 278 -10.009 -2.565 -10.012 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.092 -2.103 -11.478 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.588 -3.077 -9.722 1.00 0.00 C ATOM 0 H VAL A 278 -8.763 -0.276 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.513 -1.210 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.688 -3.401 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.741 -2.902 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.125 -1.859 -11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.468 -1.220 -11.617 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.325 -3.849 -10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -7.881 -2.251 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.550 -3.494 -8.716 1.00 0.00 H new ATOM 570 N LEU A 279 -10.507 -1.041 -6.604 1.00 0.00 N ATOM 571 CA LEU A 279 -10.619 -1.339 -5.167 1.00 0.00 C ATOM 572 C LEU A 279 -11.870 -0.699 -4.520 1.00 0.00 C ATOM 573 O LEU A 279 -12.355 0.329 -5.012 1.00 0.00 O ATOM 574 CB LEU A 279 -9.318 -0.916 -4.453 1.00 0.00 C ATOM 575 CG LEU A 279 -8.101 -1.782 -4.837 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.829 -1.192 -4.223 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.257 -3.224 -4.322 1.00 0.00 C ATOM 0 H LEU A 279 -10.329 -0.054 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.753 -2.415 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.103 0.126 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.469 -0.972 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.035 -1.793 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -5.973 -1.808 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.681 -0.178 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.926 -1.169 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.383 -3.809 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.347 -3.215 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.151 -3.671 -4.756 1.00 0.00 H new ATOM 589 N PRO A 280 -12.407 -1.310 -3.441 1.00 0.00 N ATOM 590 CA PRO A 280 -13.676 -0.935 -2.824 1.00 0.00 C ATOM 591 C PRO A 280 -13.571 0.348 -1.995 1.00 0.00 C ATOM 592 O PRO A 280 -12.534 0.644 -1.404 1.00 0.00 O ATOM 593 CB PRO A 280 -14.075 -2.135 -1.954 1.00 0.00 C ATOM 594 CG PRO A 280 -12.748 -2.800 -1.600 1.00 0.00 C ATOM 595 CD PRO A 280 -11.881 -2.517 -2.814 1.00 0.00 C ATOM 0 HA PRO A 280 -14.426 -0.713 -3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.612 -1.818 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.731 -2.818 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.317 -2.380 -0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.867 -3.870 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.841 -2.377 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -11.906 -3.356 -3.510 1.00 0.00 H new ATOM 603 N ASP A 281 -14.680 1.090 -1.907 1.00 0.00 N ATOM 604 CA ASP A 281 -14.797 2.329 -1.119 1.00 0.00 C ATOM 605 C ASP A 281 -14.794 2.093 0.406 1.00 0.00 C ATOM 606 O ASP A 281 -14.633 3.035 1.182 1.00 0.00 O ATOM 607 CB ASP A 281 -16.077 3.074 -1.529 1.00 0.00 C ATOM 608 CG ASP A 281 -16.041 3.549 -2.990 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.396 4.589 -3.267 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.678 2.895 -3.852 1.00 0.00 O ATOM 0 H ASP A 281 -15.543 0.843 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.913 2.928 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.936 2.419 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.218 3.934 -0.874 1.00 0.00 H new ATOM 615 N ASN A 282 -14.923 0.833 0.835 1.00 0.00 N ATOM 616 CA ASN A 282 -14.931 0.384 2.232 1.00 0.00 C ATOM 617 C ASN A 282 -13.789 -0.617 2.516 1.00 0.00 C ATOM 618 O ASN A 282 -13.899 -1.469 3.402 1.00 0.00 O ATOM 619 CB ASN A 282 -16.325 -0.178 2.567 1.00 0.00 C ATOM 620 CG ASN A 282 -17.414 0.889 2.488 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.423 1.853 3.246 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.366 0.749 1.582 1.00 0.00 N ATOM 0 H ASN A 282 -15.030 0.057 0.182 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.739 1.230 2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.563 -0.988 1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.311 -0.606 3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.110 1.443 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.357 -0.053 0.952 1.00 0.00 H new ATOM 629 N TRP A 283 -12.689 -0.530 1.754 1.00 0.00 N ATOM 630 CA TRP A 283 -11.452 -1.276 1.994 1.00 0.00 C ATOM 631 C TRP A 283 -10.927 -1.085 3.432 1.00 0.00 C ATOM 632 O TRP A 283 -10.903 0.029 3.952 1.00 0.00 O ATOM 633 CB TRP A 283 -10.391 -0.853 0.969 1.00 0.00 C ATOM 634 CG TRP A 283 -9.199 -1.748 0.962 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.000 -2.796 0.130 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.075 -1.745 1.891 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.854 -3.468 0.508 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.263 -2.880 1.607 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.692 -0.926 2.979 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.138 -3.191 2.378 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.577 -1.240 3.768 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.809 -2.376 3.470 1.00 0.00 C ATOM 0 H TRP A 283 -12.637 0.076 0.935 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.670 -2.337 1.877 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.838 -0.844 -0.025 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.072 0.167 1.184 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.637 -3.065 -0.700 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.490 -4.295 0.034 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.270 -0.042 3.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.530 -4.050 2.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.310 -0.609 4.603 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.958 -2.624 4.087 1.00 0.00 H new ATOM 653 N SER A 284 -10.461 -2.158 4.063 1.00 0.00 N ATOM 654 CA SER A 284 -9.923 -2.185 5.432 1.00 0.00 C ATOM 655 C SER A 284 -8.751 -3.169 5.530 1.00 0.00 C ATOM 656 O SER A 284 -8.530 -3.955 4.604 1.00 0.00 O ATOM 657 CB SER A 284 -11.030 -2.583 6.421 1.00 0.00 C ATOM 658 OG SER A 284 -11.527 -3.894 6.162 1.00 0.00 O ATOM 0 H SER A 284 -10.444 -3.077 3.620 1.00 0.00 H new ATOM 0 HA SER A 284 -9.560 -1.189 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.642 -2.536 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.848 -1.865 6.358 1.00 0.00 H new ATOM 0 HG SER A 284 -12.228 -4.112 6.811 1.00 0.00 H new ATOM 664 N CYS A 285 -8.021 -3.179 6.653 1.00 0.00 N ATOM 665 CA CYS A 285 -6.914 -4.119 6.880 1.00 0.00 C ATOM 666 C CYS A 285 -7.319 -5.598 6.637 1.00 0.00 C ATOM 667 O CYS A 285 -6.506 -6.401 6.183 1.00 0.00 O ATOM 668 CB CYS A 285 -6.369 -3.978 8.313 1.00 0.00 C ATOM 669 SG CYS A 285 -5.786 -2.310 8.726 1.00 0.00 S ATOM 0 H CYS A 285 -8.180 -2.537 7.429 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.142 -3.860 6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.151 -4.262 9.017 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.548 -4.682 8.448 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.769 -1.467 8.614 1.00 0.00 H new ATOM 674 N ASP A 286 -8.584 -5.960 6.889 1.00 0.00 N ATOM 675 CA ASP A 286 -9.154 -7.296 6.650 1.00 0.00 C ATOM 676 C ASP A 286 -9.225 -7.682 5.153 1.00 0.00 C ATOM 677 O ASP A 286 -9.395 -8.854 4.815 1.00 0.00 O ATOM 678 CB ASP A 286 -10.544 -7.345 7.303 1.00 0.00 C ATOM 679 CG ASP A 286 -11.176 -8.748 7.280 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.666 -9.650 7.988 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.206 -8.933 6.589 1.00 0.00 O ATOM 0 H ASP A 286 -9.265 -5.308 7.279 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.490 -8.035 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.465 -7.006 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.205 -6.647 6.788 1.00 0.00 H new ATOM 686 N GLN A 287 -9.059 -6.707 4.254 1.00 0.00 N ATOM 687 CA GLN A 287 -9.090 -6.845 2.795 1.00 0.00 C ATOM 688 C GLN A 287 -7.674 -6.764 2.180 1.00 0.00 C ATOM 689 O GLN A 287 -7.527 -6.617 0.964 1.00 0.00 O ATOM 690 CB GLN A 287 -10.058 -5.782 2.236 1.00 0.00 C ATOM 691 CG GLN A 287 -11.516 -6.086 2.624 1.00 0.00 C ATOM 692 CD GLN A 287 -12.446 -4.891 2.429 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.914 -4.599 1.337 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.746 -4.147 3.474 1.00 0.00 N ATOM 0 H GLN A 287 -8.889 -5.743 4.543 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.456 -7.833 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.778 -4.799 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.970 -5.743 1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.878 -6.923 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.551 -6.400 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.364 -4.378 4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.361 -3.340 3.366 1.00 0.00 H new ATOM 703 N ASN A 288 -6.620 -6.871 3.001 1.00 0.00 N ATOM 704 CA ASN A 288 -5.223 -6.844 2.555 1.00 0.00 C ATOM 705 C ASN A 288 -4.782 -8.118 1.811 1.00 0.00 C ATOM 706 O ASN A 288 -5.326 -9.209 2.013 1.00 0.00 O ATOM 707 CB ASN A 288 -4.301 -6.559 3.755 1.00 0.00 C ATOM 708 CG ASN A 288 -2.932 -6.051 3.318 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.818 -5.217 2.431 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.854 -6.575 3.867 1.00 0.00 N ATOM 0 H ASN A 288 -6.718 -6.981 4.010 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.141 -6.039 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.771 -5.821 4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.179 -7.469 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.928 -6.284 3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.945 -7.271 4.607 1.00 0.00 H new ATOM 717 N THR A 289 -3.741 -7.971 0.977 1.00 0.00 N ATOM 718 CA THR A 289 -3.128 -9.047 0.175 1.00 0.00 C ATOM 719 C THR A 289 -2.009 -9.786 0.903 1.00 0.00 C ATOM 720 O THR A 289 -1.598 -10.856 0.455 1.00 0.00 O ATOM 721 CB THR A 289 -2.607 -8.501 -1.160 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.711 -7.433 -0.938 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.754 -8.003 -2.036 1.00 0.00 C ATOM 0 H THR A 289 -3.285 -7.069 0.836 1.00 0.00 H new ATOM 0 HA THR A 289 -3.921 -9.772 -0.006 1.00 0.00 H new ATOM 0 HB THR A 289 -2.095 -9.317 -1.670 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.385 -7.095 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.355 -7.622 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.440 -8.825 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.288 -7.206 -1.518 1.00 0.00 H new ATOM 731 N ASP A 290 -1.545 -9.255 2.036 1.00 0.00 N ATOM 732 CA ASP A 290 -0.427 -9.786 2.819 1.00 0.00 C ATOM 733 C ASP A 290 -0.856 -10.131 4.255 1.00 0.00 C ATOM 734 O ASP A 290 -1.281 -9.258 5.016 1.00 0.00 O ATOM 735 CB ASP A 290 0.737 -8.774 2.807 1.00 0.00 C ATOM 736 CG ASP A 290 2.053 -9.420 2.340 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.371 -10.535 2.818 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.757 -8.816 1.498 1.00 0.00 O ATOM 0 H ASP A 290 -1.951 -8.415 2.448 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.090 -10.716 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.488 -7.941 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.870 -8.361 3.807 1.00 0.00 H new ATOM 743 N VAL A 291 -0.715 -11.405 4.631 1.00 0.00 N ATOM 744 CA VAL A 291 -1.175 -11.967 5.925 1.00 0.00 C ATOM 745 C VAL A 291 -0.425 -11.408 7.142 1.00 0.00 C ATOM 746 O VAL A 291 -0.906 -11.492 8.269 1.00 0.00 O ATOM 747 CB VAL A 291 -1.092 -13.512 5.963 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.959 -14.130 4.857 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.355 -14.028 5.842 1.00 0.00 C ATOM 0 H VAL A 291 -0.267 -12.101 4.035 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.217 -11.655 5.992 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.471 -13.821 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.886 -15.217 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.997 -13.830 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.610 -13.783 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.357 -15.118 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.783 -13.692 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.950 -13.640 6.669 1.00 0.00 H new ATOM 759 N GLN A 292 0.744 -10.815 6.901 1.00 0.00 N ATOM 760 CA GLN A 292 1.570 -10.144 7.904 1.00 0.00 C ATOM 761 C GLN A 292 0.961 -8.827 8.405 1.00 0.00 C ATOM 762 O GLN A 292 1.351 -8.357 9.471 1.00 0.00 O ATOM 763 CB GLN A 292 3.004 -9.953 7.373 1.00 0.00 C ATOM 764 CG GLN A 292 3.118 -9.673 5.867 1.00 0.00 C ATOM 765 CD GLN A 292 4.505 -9.189 5.437 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.678 -8.098 4.911 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.550 -9.970 5.638 1.00 0.00 N ATOM 0 H GLN A 292 1.156 -10.788 5.968 1.00 0.00 H new ATOM 0 HA GLN A 292 1.609 -10.794 8.778 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.467 -9.128 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.581 -10.849 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.873 -10.582 5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.378 -8.923 5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.427 -10.883 6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.480 -9.660 5.356 1.00 0.00 H new ATOM 776 N TYR A 293 -0.018 -8.264 7.683 1.00 0.00 N ATOM 777 CA TYR A 293 -0.704 -7.008 8.036 1.00 0.00 C ATOM 778 C TYR A 293 -2.211 -7.024 7.694 1.00 0.00 C ATOM 779 O TYR A 293 -2.821 -5.979 7.463 1.00 0.00 O ATOM 780 CB TYR A 293 0.032 -5.808 7.409 1.00 0.00 C ATOM 781 CG TYR A 293 1.470 -5.627 7.857 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.524 -6.262 7.174 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.752 -4.829 8.981 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.848 -6.126 7.630 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.076 -4.664 9.428 1.00 0.00 C ATOM 786 CZ TYR A 293 4.128 -5.331 8.764 1.00 0.00 C ATOM 787 OH TYR A 293 5.405 -5.230 9.226 1.00 0.00 O ATOM 0 H TYR A 293 -0.365 -8.677 6.817 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.664 -6.903 9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.017 -5.919 6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.522 -4.899 7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.316 -6.856 6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.945 -4.339 9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.651 -6.630 7.113 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.287 -4.029 10.276 1.00 0.00 H new ATOM 0 HH TYR A 293 5.423 -4.644 10.011 1.00 0.00 H new ATOM 797 N ASN A 294 -2.831 -8.209 7.665 1.00 0.00 N ATOM 798 CA ASN A 294 -4.233 -8.407 7.265 1.00 0.00 C ATOM 799 C ASN A 294 -5.269 -8.192 8.396 1.00 0.00 C ATOM 800 O ASN A 294 -6.396 -8.687 8.315 1.00 0.00 O ATOM 801 CB ASN A 294 -4.398 -9.766 6.562 1.00 0.00 C ATOM 802 CG ASN A 294 -4.396 -10.972 7.503 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.003 -10.902 8.662 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.847 -12.120 7.029 1.00 0.00 N ATOM 0 H ASN A 294 -2.364 -9.078 7.924 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.463 -7.613 6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.333 -9.760 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.593 -9.886 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.868 -12.946 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.174 -12.180 6.065 1.00 0.00 H new ATOM 811 N ARG A 295 -4.885 -7.482 9.465 1.00 0.00 N ATOM 812 CA ARG A 295 -5.715 -7.194 10.640 1.00 0.00 C ATOM 813 C ARG A 295 -5.473 -5.788 11.178 1.00 0.00 C ATOM 814 O ARG A 295 -4.331 -5.353 11.327 1.00 0.00 O ATOM 815 CB ARG A 295 -5.395 -8.197 11.756 1.00 0.00 C ATOM 816 CG ARG A 295 -6.278 -9.446 11.705 1.00 0.00 C ATOM 817 CD ARG A 295 -5.809 -10.425 12.783 1.00 0.00 C ATOM 818 NE ARG A 295 -6.699 -11.594 12.881 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.540 -12.636 13.691 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.526 -12.724 14.527 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.414 -13.619 13.671 1.00 0.00 N ATOM 0 H ARG A 295 -3.951 -7.077 9.537 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.756 -7.274 10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.349 -8.494 11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.520 -7.709 12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.322 -9.177 11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.218 -9.911 10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.796 -10.757 12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.770 -9.915 13.746 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.515 -11.605 12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.832 -11.978 14.567 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.435 -13.538 15.134 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.211 -13.580 13.035 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.295 -14.420 14.291 1.00 0.00 H new ATOM 835 N CYS A 296 -6.556 -5.139 11.590 1.00 0.00 N ATOM 836 CA CYS A 296 -6.578 -3.825 12.228 1.00 0.00 C ATOM 837 C CYS A 296 -5.844 -3.738 13.584 1.00 0.00 C ATOM 838 O CYS A 296 -5.511 -2.645 14.046 1.00 0.00 O ATOM 839 CB CYS A 296 -8.055 -3.476 12.401 1.00 0.00 C ATOM 840 SG CYS A 296 -8.689 -2.724 10.881 1.00 0.00 S ATOM 0 H CYS A 296 -7.490 -5.534 11.483 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.034 -3.124 11.595 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.625 -4.374 12.639 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.180 -2.788 13.238 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.698 -2.460 10.082 1.00 0.00 H new ATOM 845 N ASP A 297 -5.566 -4.884 14.205 1.00 0.00 N ATOM 846 CA ASP A 297 -4.878 -4.997 15.493 1.00 0.00 C ATOM 847 C ASP A 297 -3.356 -5.139 15.300 1.00 0.00 C ATOM 848 O ASP A 297 -2.598 -5.215 16.268 1.00 0.00 O ATOM 849 CB ASP A 297 -5.511 -6.173 16.247 1.00 0.00 C ATOM 850 CG ASP A 297 -5.059 -6.270 17.714 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.307 -5.314 18.487 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.499 -7.324 18.102 1.00 0.00 O ATOM 0 H ASP A 297 -5.822 -5.790 13.813 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.000 -4.091 16.087 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.596 -6.075 16.214 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.260 -7.102 15.735 1.00 0.00 H new ATOM 857 N ILE A 298 -2.904 -5.144 14.039 1.00 0.00 N ATOM 858 CA ILE A 298 -1.495 -5.195 13.654 1.00 0.00 C ATOM 859 C ILE A 298 -1.007 -3.767 13.368 1.00 0.00 C ATOM 860 O ILE A 298 -1.673 -3.044 12.613 1.00 0.00 O ATOM 861 CB ILE A 298 -1.266 -6.122 12.439 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.842 -7.519 12.741 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.233 -6.209 12.122 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.638 -8.556 11.630 1.00 0.00 C ATOM 0 H ILE A 298 -3.532 -5.112 13.236 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.917 -5.618 14.476 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.777 -5.714 11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.385 -7.894 13.657 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.910 -7.421 12.935 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.386 -6.864 11.264 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.614 -5.214 11.891 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.765 -6.610 12.985 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.077 -9.506 11.934 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.121 -8.210 10.716 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.572 -8.690 11.449 1.00 0.00 H new ATOM 876 N PRO A 299 0.150 -3.366 13.921 1.00 0.00 N ATOM 877 CA PRO A 299 0.734 -2.048 13.718 1.00 0.00 C ATOM 878 C PRO A 299 1.130 -1.813 12.257 1.00 0.00 C ATOM 879 O PRO A 299 1.267 -2.748 11.472 1.00 0.00 O ATOM 880 CB PRO A 299 1.946 -2.005 14.651 1.00 0.00 C ATOM 881 CG PRO A 299 2.357 -3.465 14.814 1.00 0.00 C ATOM 882 CD PRO A 299 1.021 -4.196 14.741 1.00 0.00 C ATOM 0 HA PRO A 299 0.022 -1.254 13.942 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.754 -1.411 14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.692 -1.555 15.611 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.038 -3.785 14.025 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.864 -3.640 15.763 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.142 -5.186 14.302 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.600 -4.338 15.736 1.00 0.00 H new ATOM 890 N GLU A 300 1.308 -0.546 11.883 1.00 0.00 N ATOM 891 CA GLU A 300 1.768 -0.141 10.555 1.00 0.00 C ATOM 892 C GLU A 300 3.278 -0.444 10.370 1.00 0.00 C ATOM 893 O GLU A 300 4.046 -0.489 11.336 1.00 0.00 O ATOM 894 CB GLU A 300 1.384 1.340 10.360 1.00 0.00 C ATOM 895 CG GLU A 300 0.817 1.666 8.975 1.00 0.00 C ATOM 896 CD GLU A 300 1.904 1.891 7.918 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.363 0.893 7.319 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.280 3.066 7.694 1.00 0.00 O ATOM 0 H GLU A 300 1.133 0.242 12.506 1.00 0.00 H new ATOM 0 HA GLU A 300 1.282 -0.720 9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.648 1.615 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.265 1.958 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.169 0.851 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.196 2.559 9.044 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.121 5.590 1.379 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.148 6.407 0.633 1.00 0.00 C ATOM 1029 C ARG B 2 -7.153 5.521 -0.118 1.00 0.00 C ATOM 1030 O ARG B 2 -6.873 4.390 0.293 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.398 7.387 1.552 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.264 8.780 0.917 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.546 9.757 1.858 1.00 0.00 C ATOM 1034 NE ARG B 2 -6.541 11.128 1.314 1.00 0.00 N ATOM 1035 CZ ARG B 2 -5.715 11.634 0.402 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -4.762 10.921 -0.164 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -5.846 12.892 0.038 1.00 0.00 N ATOM 0 HA ARG B 2 -8.713 6.994 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.926 7.470 2.502 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.406 6.992 1.772 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.712 8.703 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.253 9.167 0.674 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.036 9.753 2.831 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.520 9.424 2.016 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.253 11.761 1.679 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.636 9.942 0.093 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.150 11.348 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -6.576 13.470 0.454 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.217 13.289 -0.660 1.00 0.00 H new ATOM 1051 N THR B 3 -6.582 6.075 -1.183 1.00 0.00 N ATOM 1052 CA THR B 3 -5.584 5.442 -2.054 1.00 0.00 C ATOM 1053 C THR B 3 -4.483 6.436 -2.382 1.00 0.00 C ATOM 1054 O THR B 3 -4.723 7.637 -2.514 1.00 0.00 O ATOM 1055 CB THR B 3 -6.216 4.905 -3.348 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.118 5.835 -3.908 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.949 3.585 -3.111 1.00 0.00 C ATOM 0 H THR B 3 -6.810 7.023 -1.481 1.00 0.00 H new ATOM 0 HA THR B 3 -5.161 4.592 -1.518 1.00 0.00 H new ATOM 0 HB THR B 3 -5.395 4.737 -4.045 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.501 5.464 -4.730 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.383 3.236 -4.048 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.246 2.840 -2.737 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.742 3.736 -2.378 1.00 0.00 H new