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= 0.455 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.955 K(o=1.4,f=0.9) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.17 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.24 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 129:sc= 1.39 (180deg=-0.119) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 2.81 USER MOD Set 2.5: A 296 CYS SG : rot -9:sc= 1.31 USER MOD Single : A 258 GLN : amide:sc= 0.631 K(o=0.63,f=-1) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.83) 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= -0.272 X(o=-0.27,f=-0.37) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0162 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= -0.364 K(o=-0.36,f=-1.2) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.629 0.353 -4.860 1.00 0.00 N ATOM 195 CA VAL A 255 0.261 0.799 -4.531 1.00 0.00 C ATOM 196 C VAL A 255 0.014 0.579 -3.040 1.00 0.00 C ATOM 197 O VAL A 255 0.385 -0.460 -2.489 1.00 0.00 O ATOM 198 CB VAL A 255 -0.821 0.058 -5.359 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.247 0.550 -5.035 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.607 0.232 -6.870 1.00 0.00 C ATOM 0 HA VAL A 255 0.184 1.857 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.720 -0.991 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.968 0.001 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.458 0.383 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.324 1.614 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.387 -0.303 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.650 1.291 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.368 -0.168 -7.148 1.00 0.00 H new ATOM 210 N TRP A 256 -0.635 1.560 -2.410 1.00 0.00 N ATOM 211 CA TRP A 256 -1.011 1.549 -1.000 1.00 0.00 C ATOM 212 C TRP A 256 -2.494 1.906 -0.820 1.00 0.00 C ATOM 213 O TRP A 256 -3.041 2.734 -1.553 1.00 0.00 O ATOM 214 CB TRP A 256 -0.153 2.556 -0.229 1.00 0.00 C ATOM 215 CG TRP A 256 1.321 2.331 -0.189 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.193 2.671 -1.161 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.122 1.757 0.887 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.476 2.396 -0.745 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.495 1.806 0.500 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.826 1.192 2.147 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.523 1.310 1.316 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.847 0.672 2.962 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.190 0.731 2.552 1.00 0.00 C ATOM 0 H TRP A 256 -0.923 2.414 -2.888 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.846 0.544 -0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.329 3.543 -0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.515 2.586 0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.925 3.094 -2.118 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.311 2.604 -1.292 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.802 1.159 2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.554 1.372 0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.597 0.223 3.912 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.966 0.331 3.187 1.00 0.00 H new ATOM 234 N VAL A 257 -3.112 1.317 0.204 1.00 0.00 N ATOM 235 CA VAL A 257 -4.538 1.478 0.553 1.00 0.00 C ATOM 236 C VAL A 257 -4.691 1.815 2.030 1.00 0.00 C ATOM 237 O VAL A 257 -4.111 1.134 2.873 1.00 0.00 O ATOM 238 CB VAL A 257 -5.358 0.199 0.260 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.868 0.194 -1.177 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.580 -1.100 0.525 1.00 0.00 C ATOM 0 H VAL A 257 -2.622 0.690 0.842 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.919 2.290 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.197 0.225 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.441 -0.716 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.506 1.063 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -5.022 0.231 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.215 -1.957 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.693 -1.128 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.280 -1.137 1.572 1.00 0.00 H new ATOM 250 N GLN A 258 -5.470 2.857 2.334 1.00 0.00 N ATOM 251 CA GLN A 258 -5.760 3.265 3.707 1.00 0.00 C ATOM 252 C GLN A 258 -7.023 2.571 4.232 1.00 0.00 C ATOM 253 O GLN A 258 -8.067 2.583 3.574 1.00 0.00 O ATOM 254 CB GLN A 258 -5.890 4.792 3.809 1.00 0.00 C ATOM 255 CG GLN A 258 -5.919 5.245 5.281 1.00 0.00 C ATOM 256 CD GLN A 258 -5.855 6.761 5.461 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.535 7.529 4.794 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.055 7.255 6.384 1.00 0.00 N ATOM 0 H GLN A 258 -5.918 3.443 1.629 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.923 2.955 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.055 5.267 3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.801 5.118 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.830 4.871 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.080 4.790 5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.481 6.629 6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.010 8.263 6.533 1.00 0.00 H new ATOM 267 N CYS A 259 -6.921 2.015 5.442 1.00 0.00 N ATOM 268 CA CYS A 259 -8.016 1.406 6.188 1.00 0.00 C ATOM 269 C CYS A 259 -9.222 2.356 6.360 1.00 0.00 C ATOM 270 O CYS A 259 -9.071 3.540 6.682 1.00 0.00 O ATOM 271 CB CYS A 259 -7.450 0.972 7.544 1.00 0.00 C ATOM 272 SG CYS A 259 -8.608 -0.166 8.352 1.00 0.00 S ATOM 0 H CYS A 259 -6.035 1.977 5.946 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.404 0.551 5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.484 0.487 7.407 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.282 1.845 8.175 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.167 -0.465 9.538 1.00 0.00 H new ATOM 277 N SER A 260 -10.430 1.836 6.152 1.00 0.00 N ATOM 278 CA SER A 260 -11.691 2.588 6.249 1.00 0.00 C ATOM 279 C SER A 260 -12.029 3.070 7.671 1.00 0.00 C ATOM 280 O SER A 260 -12.767 4.050 7.821 1.00 0.00 O ATOM 281 CB SER A 260 -12.867 1.765 5.698 1.00 0.00 C ATOM 282 OG SER A 260 -13.004 0.516 6.364 1.00 0.00 O ATOM 0 H SER A 260 -10.568 0.856 5.905 1.00 0.00 H new ATOM 0 HA SER A 260 -11.536 3.480 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.790 2.335 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.720 1.593 4.632 1.00 0.00 H new ATOM 0 HG SER A 260 -13.763 0.025 5.985 1.00 0.00 H new ATOM 288 N PHE A 261 -11.484 2.431 8.717 1.00 0.00 N ATOM 289 CA PHE A 261 -11.701 2.841 10.101 1.00 0.00 C ATOM 290 C PHE A 261 -10.829 4.047 10.493 1.00 0.00 C ATOM 291 O PHE A 261 -9.620 4.040 10.239 1.00 0.00 O ATOM 292 CB PHE A 261 -11.462 1.667 11.052 1.00 0.00 C ATOM 293 CG PHE A 261 -12.453 0.532 10.915 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.764 0.680 11.405 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.060 -0.677 10.310 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.681 -0.381 11.285 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.972 -1.739 10.202 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.285 -1.590 10.683 1.00 0.00 C ATOM 0 H PHE A 261 -10.880 1.615 8.620 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.741 3.157 10.187 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.458 1.278 10.882 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.492 2.036 12.077 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.066 1.606 11.872 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.056 -0.788 9.928 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.689 -0.267 11.655 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.665 -2.670 9.749 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.990 -2.403 10.590 1.00 0.00 H new ATOM 308 N PRO A 262 -11.413 5.055 11.171 1.00 0.00 N ATOM 309 CA PRO A 262 -10.713 6.259 11.613 1.00 0.00 C ATOM 310 C PRO A 262 -9.738 5.975 12.763 1.00 0.00 C ATOM 311 O PRO A 262 -8.691 6.611 12.857 1.00 0.00 O ATOM 312 CB PRO A 262 -11.831 7.206 12.052 1.00 0.00 C ATOM 313 CG PRO A 262 -12.948 6.280 12.531 1.00 0.00 C ATOM 314 CD PRO A 262 -12.805 5.083 11.601 1.00 0.00 C ATOM 0 HA PRO A 262 -10.093 6.680 10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.498 7.872 12.848 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.164 7.837 11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.822 5.999 13.577 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.929 6.748 12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.071 4.159 12.115 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.473 5.175 10.745 1.00 0.00 H new ATOM 322 N ASN A 263 -10.053 4.982 13.602 1.00 0.00 N ATOM 323 CA ASN A 263 -9.179 4.476 14.668 1.00 0.00 C ATOM 324 C ASN A 263 -8.000 3.614 14.155 1.00 0.00 C ATOM 325 O ASN A 263 -7.102 3.274 14.931 1.00 0.00 O ATOM 326 CB ASN A 263 -10.038 3.729 15.702 1.00 0.00 C ATOM 327 CG ASN A 263 -10.769 2.522 15.115 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.165 1.538 14.709 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.088 2.569 15.035 1.00 0.00 N ATOM 0 H ASN A 263 -10.948 4.494 13.558 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.698 5.332 15.140 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.402 3.397 16.522 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.769 4.419 16.124 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.603 1.785 14.635 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.591 3.389 15.374 1.00 0.00 H new ATOM 336 N CYS A 264 -7.983 3.300 12.852 1.00 0.00 N ATOM 337 CA CYS A 264 -6.890 2.629 12.151 1.00 0.00 C ATOM 338 C CYS A 264 -6.102 3.672 11.346 1.00 0.00 C ATOM 339 O CYS A 264 -5.036 4.121 11.775 1.00 0.00 O ATOM 340 CB CYS A 264 -7.476 1.516 11.265 1.00 0.00 C ATOM 341 SG CYS A 264 -6.481 0.002 11.304 1.00 0.00 S ATOM 0 H CYS A 264 -8.766 3.518 12.236 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.197 2.161 12.850 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.490 1.289 11.595 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.548 1.874 10.238 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.255 -1.030 11.147 1.00 0.00 H new ATOM 346 N GLY A 265 -6.634 4.051 10.174 1.00 0.00 N ATOM 347 CA GLY A 265 -5.992 4.945 9.218 1.00 0.00 C ATOM 348 C GLY A 265 -4.691 4.381 8.641 1.00 0.00 C ATOM 349 O GLY A 265 -3.909 5.129 8.054 1.00 0.00 O ATOM 0 H GLY A 265 -7.551 3.730 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.684 5.150 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.782 5.897 9.706 1.00 0.00 H new ATOM 353 N LYS A 266 -4.444 3.079 8.819 1.00 0.00 N ATOM 354 CA LYS A 266 -3.205 2.409 8.428 1.00 0.00 C ATOM 355 C LYS A 266 -3.117 2.220 6.911 1.00 0.00 C ATOM 356 O LYS A 266 -4.125 1.939 6.262 1.00 0.00 O ATOM 357 CB LYS A 266 -3.100 1.051 9.136 1.00 0.00 C ATOM 358 CG LYS A 266 -3.013 1.182 10.655 1.00 0.00 C ATOM 359 CD LYS A 266 -2.833 -0.215 11.248 1.00 0.00 C ATOM 360 CE LYS A 266 -2.752 -0.166 12.766 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.039 0.273 13.370 1.00 0.00 N ATOM 0 H LYS A 266 -5.119 2.448 9.250 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.372 3.044 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.967 0.443 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.220 0.523 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.177 1.823 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.917 1.648 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.666 -0.850 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.926 -0.668 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.488 -1.152 13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.957 0.516 13.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.323 -0.401 14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.922 1.218 13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.773 0.309 12.634 1.00 0.00 H new ATOM 375 N TRP A 267 -1.911 2.319 6.350 1.00 0.00 N ATOM 376 CA TRP A 267 -1.656 2.107 4.926 1.00 0.00 C ATOM 377 C TRP A 267 -0.982 0.748 4.719 1.00 0.00 C ATOM 378 O TRP A 267 0.137 0.544 5.180 1.00 0.00 O ATOM 379 CB TRP A 267 -0.792 3.256 4.389 1.00 0.00 C ATOM 380 CG TRP A 267 -1.451 4.601 4.352 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.485 5.492 5.368 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.153 5.240 3.242 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.131 6.642 4.957 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.556 6.548 3.649 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.487 4.846 1.930 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.229 7.429 2.787 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.169 5.716 1.062 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.521 7.012 1.478 1.00 0.00 C ATOM 0 H TRP A 267 -1.072 2.552 6.881 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.595 2.100 4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.106 3.328 5.003 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.469 3.002 3.379 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.070 5.330 6.352 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.276 7.460 5.549 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.214 3.859 1.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.518 8.413 3.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.425 5.386 0.066 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.015 7.685 0.793 1.00 0.00 H new ATOM 399 N ARG A 268 -1.644 -0.178 4.017 1.00 0.00 N ATOM 400 CA ARG A 268 -1.074 -1.487 3.669 1.00 0.00 C ATOM 401 C ARG A 268 -0.634 -1.489 2.197 1.00 0.00 C ATOM 402 O ARG A 268 -1.288 -0.858 1.356 1.00 0.00 O ATOM 403 CB ARG A 268 -2.077 -2.620 3.957 1.00 0.00 C ATOM 404 CG ARG A 268 -2.757 -2.597 5.340 1.00 0.00 C ATOM 405 CD ARG A 268 -1.828 -2.629 6.556 1.00 0.00 C ATOM 406 NE ARG A 268 -2.632 -2.779 7.781 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.188 -2.929 9.018 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.926 -2.773 9.349 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.043 -3.231 9.958 1.00 0.00 N ATOM 0 H ARG A 268 -2.594 -0.041 3.672 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.197 -1.666 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.854 -2.591 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.558 -3.572 3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.372 -1.699 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.432 -3.451 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.123 -3.455 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.241 -1.712 6.603 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.645 -2.766 7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.239 -2.525 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.633 -2.900 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.031 -3.346 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.723 -3.351 10.919 1.00 0.00 H new ATOM 423 N ARG A 269 0.471 -2.184 1.900 1.00 0.00 N ATOM 424 CA ARG A 269 0.964 -2.431 0.534 1.00 0.00 C ATOM 425 C ARG A 269 0.069 -3.428 -0.212 1.00 0.00 C ATOM 426 O ARG A 269 -0.562 -4.283 0.409 1.00 0.00 O ATOM 427 CB ARG A 269 2.392 -3.005 0.552 1.00 0.00 C ATOM 428 CG ARG A 269 3.459 -2.026 1.020 1.00 0.00 C ATOM 429 CD ARG A 269 4.855 -2.646 0.866 1.00 0.00 C ATOM 430 NE ARG A 269 5.922 -1.678 1.155 1.00 0.00 N ATOM 431 CZ ARG A 269 7.222 -1.856 0.949 1.00 0.00 C ATOM 432 NH1 ARG A 269 7.704 -2.979 0.456 1.00 0.00 N ATOM 433 NH2 ARG A 269 8.067 -0.890 1.234 1.00 0.00 N ATOM 0 H ARG A 269 1.063 -2.601 2.618 1.00 0.00 H new ATOM 0 HA ARG A 269 0.953 -1.468 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.410 -3.880 1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.645 -3.347 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.397 -1.105 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.285 -1.759 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 269 4.949 -3.500 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.974 -3.024 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 269 5.637 -0.783 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 269 7.073 -3.745 0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 269 8.708 -3.082 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 269 7.724 -0.007 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 269 9.066 -1.023 1.077 1.00 0.00 H new ATOM 447 N LEU A 270 0.090 -3.359 -1.544 1.00 0.00 N ATOM 448 CA LEU A 270 -0.602 -4.275 -2.462 1.00 0.00 C ATOM 449 C LEU A 270 0.334 -4.787 -3.570 1.00 0.00 C ATOM 450 O LEU A 270 1.409 -4.231 -3.807 1.00 0.00 O ATOM 451 CB LEU A 270 -1.816 -3.555 -3.076 1.00 0.00 C ATOM 452 CG LEU A 270 -2.931 -3.163 -2.092 1.00 0.00 C ATOM 453 CD1 LEU A 270 -4.026 -2.477 -2.912 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.555 -4.342 -1.330 1.00 0.00 C ATOM 0 H LEU A 270 0.611 -2.634 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.935 -5.144 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.465 -2.652 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.245 -4.198 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.487 -2.521 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.842 -2.180 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.615 -1.594 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.402 -3.168 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.331 -3.972 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.993 -5.043 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.784 -4.848 -0.749 1.00 0.00 H new ATOM 529 N PRO A 276 -5.671 0.904 -7.982 1.00 0.00 N ATOM 530 CA PRO A 276 -6.558 1.574 -7.038 1.00 0.00 C ATOM 531 C PRO A 276 -7.908 2.005 -7.635 1.00 0.00 C ATOM 532 O PRO A 276 -8.848 2.232 -6.877 1.00 0.00 O ATOM 533 CB PRO A 276 -5.752 2.741 -6.466 1.00 0.00 C ATOM 534 CG PRO A 276 -4.713 3.033 -7.542 1.00 0.00 C ATOM 535 CD PRO A 276 -4.440 1.662 -8.149 1.00 0.00 C ATOM 0 HA PRO A 276 -6.863 0.881 -6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.385 3.608 -6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.282 2.476 -5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.091 3.734 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.810 3.473 -7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.172 1.747 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.607 1.171 -7.647 1.00 0.00 H new ATOM 543 N SER A 277 -8.066 2.040 -8.964 1.00 0.00 N ATOM 544 CA SER A 277 -9.357 2.281 -9.621 1.00 0.00 C ATOM 545 C SER A 277 -10.276 1.040 -9.670 1.00 0.00 C ATOM 546 O SER A 277 -11.424 1.167 -10.101 1.00 0.00 O ATOM 547 CB SER A 277 -9.124 2.834 -11.037 1.00 0.00 C ATOM 548 OG SER A 277 -8.423 4.075 -11.027 1.00 0.00 O ATOM 0 H SER A 277 -7.296 1.901 -9.618 1.00 0.00 H new ATOM 0 HA SER A 277 -9.883 3.015 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.560 2.106 -11.620 1.00 0.00 H new ATOM 0 HB3 SER A 277 -10.084 2.966 -11.535 1.00 0.00 H new ATOM 0 HG SER A 277 -8.297 4.387 -11.947 1.00 0.00 H new ATOM 554 N VAL A 278 -9.820 -0.138 -9.207 1.00 0.00 N ATOM 555 CA VAL A 278 -10.645 -1.367 -9.079 1.00 0.00 C ATOM 556 C VAL A 278 -10.767 -1.869 -7.624 1.00 0.00 C ATOM 557 O VAL A 278 -11.023 -3.051 -7.389 1.00 0.00 O ATOM 558 CB VAL A 278 -10.226 -2.492 -10.064 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.305 -2.021 -11.527 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.830 -3.083 -9.802 1.00 0.00 C ATOM 0 H VAL A 278 -8.855 -0.271 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.650 -1.068 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.948 -3.288 -9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.005 -2.834 -12.188 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.328 -1.724 -11.759 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.638 -1.171 -11.672 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.621 -3.861 -10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.080 -2.296 -9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.799 -3.512 -8.800 1.00 0.00 H new ATOM 570 N LEU A 279 -10.600 -0.973 -6.638 1.00 0.00 N ATOM 571 CA LEU A 279 -10.704 -1.275 -5.200 1.00 0.00 C ATOM 572 C LEU A 279 -11.926 -0.602 -4.535 1.00 0.00 C ATOM 573 O LEU A 279 -12.387 0.441 -5.016 1.00 0.00 O ATOM 574 CB LEU A 279 -9.383 -0.893 -4.502 1.00 0.00 C ATOM 575 CG LEU A 279 -8.199 -1.794 -4.903 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.908 -1.242 -4.298 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.395 -3.234 -4.396 1.00 0.00 C ATOM 0 H LEU A 279 -10.383 0.006 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.869 -2.347 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.140 0.142 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.522 -0.947 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.142 -1.805 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.071 -1.880 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.736 -0.231 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.995 -1.221 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.543 -3.844 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.474 -3.229 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.307 -3.650 -4.824 1.00 0.00 H new ATOM 589 N PRO A 280 -12.464 -1.203 -3.451 1.00 0.00 N ATOM 590 CA PRO A 280 -13.714 -0.794 -2.815 1.00 0.00 C ATOM 591 C PRO A 280 -13.556 0.485 -1.986 1.00 0.00 C ATOM 592 O PRO A 280 -12.507 0.737 -1.397 1.00 0.00 O ATOM 593 CB PRO A 280 -14.131 -1.980 -1.937 1.00 0.00 C ATOM 594 CG PRO A 280 -12.814 -2.672 -1.596 1.00 0.00 C ATOM 595 CD PRO A 280 -11.958 -2.419 -2.825 1.00 0.00 C ATOM 0 HA PRO A 280 -14.470 -0.553 -3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.651 -1.647 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.808 -2.650 -2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.361 -2.254 -0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.954 -3.738 -1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.910 -2.304 -2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.015 -3.261 -3.515 1.00 0.00 H new ATOM 603 N ASP A 281 -14.635 1.270 -1.895 1.00 0.00 N ATOM 604 CA ASP A 281 -14.700 2.506 -1.095 1.00 0.00 C ATOM 605 C ASP A 281 -14.686 2.253 0.428 1.00 0.00 C ATOM 606 O ASP A 281 -14.465 3.178 1.209 1.00 0.00 O ATOM 607 CB ASP A 281 -15.955 3.304 -1.488 1.00 0.00 C ATOM 608 CG ASP A 281 -15.901 3.806 -2.939 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.198 4.814 -3.196 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.575 3.205 -3.809 1.00 0.00 O ATOM 0 H ASP A 281 -15.506 1.063 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.799 3.078 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.837 2.677 -1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.066 4.155 -0.816 1.00 0.00 H new ATOM 615 N ASN A 282 -14.869 0.997 0.844 1.00 0.00 N ATOM 616 CA ASN A 282 -14.887 0.534 2.237 1.00 0.00 C ATOM 617 C ASN A 282 -13.747 -0.469 2.525 1.00 0.00 C ATOM 618 O ASN A 282 -13.866 -1.316 3.414 1.00 0.00 O ATOM 619 CB ASN A 282 -16.280 -0.044 2.546 1.00 0.00 C ATOM 620 CG ASN A 282 -17.392 0.995 2.412 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.403 2.018 3.088 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.367 0.761 1.548 1.00 0.00 N ATOM 0 H ASN A 282 -15.017 0.234 0.184 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.703 1.376 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.482 -0.875 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.285 -0.447 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.128 1.432 1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.357 -0.090 0.986 1.00 0.00 H new ATOM 629 N TRP A 283 -12.645 -0.395 1.765 1.00 0.00 N ATOM 630 CA TRP A 283 -11.432 -1.188 1.990 1.00 0.00 C ATOM 631 C TRP A 283 -10.898 -1.038 3.429 1.00 0.00 C ATOM 632 O TRP A 283 -10.819 0.068 3.956 1.00 0.00 O ATOM 633 CB TRP A 283 -10.358 -0.792 0.968 1.00 0.00 C ATOM 634 CG TRP A 283 -9.206 -1.740 0.952 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.058 -2.788 0.112 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.086 -1.802 1.886 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.946 -3.520 0.485 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.331 -2.974 1.594 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.661 -1.011 2.978 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.223 -3.348 2.362 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.557 -1.384 3.761 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.847 -2.555 3.455 1.00 0.00 C ATOM 0 H TRP A 283 -12.572 0.230 0.962 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.689 -2.239 1.857 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.804 -0.751 -0.026 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -9.996 0.210 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.707 -3.018 -0.720 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.621 -4.358 0.002 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.196 -0.103 3.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.663 -4.238 2.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.255 -0.771 4.597 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.005 -2.847 4.066 1.00 0.00 H new ATOM 653 N SER A 284 -10.486 -2.137 4.052 1.00 0.00 N ATOM 654 CA SER A 284 -9.948 -2.194 5.419 1.00 0.00 C ATOM 655 C SER A 284 -8.805 -3.213 5.506 1.00 0.00 C ATOM 656 O SER A 284 -8.614 -4.001 4.578 1.00 0.00 O ATOM 657 CB SER A 284 -11.065 -2.564 6.407 1.00 0.00 C ATOM 658 OG SER A 284 -11.606 -3.857 6.141 1.00 0.00 O ATOM 0 H SER A 284 -10.516 -3.054 3.605 1.00 0.00 H new ATOM 0 HA SER A 284 -9.554 -1.212 5.680 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.673 -2.537 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.860 -1.820 6.351 1.00 0.00 H new ATOM 0 HG SER A 284 -12.312 -4.056 6.791 1.00 0.00 H new ATOM 664 N CYS A 285 -8.070 -3.243 6.625 1.00 0.00 N ATOM 665 CA CYS A 285 -6.996 -4.222 6.850 1.00 0.00 C ATOM 666 C CYS A 285 -7.446 -5.685 6.589 1.00 0.00 C ATOM 667 O CYS A 285 -6.660 -6.503 6.116 1.00 0.00 O ATOM 668 CB CYS A 285 -6.460 -4.115 8.289 1.00 0.00 C ATOM 669 SG CYS A 285 -5.823 -2.471 8.718 1.00 0.00 S ATOM 0 H CYS A 285 -8.202 -2.592 7.399 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.211 -3.980 6.133 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.258 -4.377 8.984 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.665 -4.848 8.425 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.775 -1.593 8.605 1.00 0.00 H new ATOM 674 N ASP A 286 -8.719 -6.013 6.846 1.00 0.00 N ATOM 675 CA ASP A 286 -9.326 -7.332 6.595 1.00 0.00 C ATOM 676 C ASP A 286 -9.414 -7.704 5.096 1.00 0.00 C ATOM 677 O ASP A 286 -9.613 -8.869 4.749 1.00 0.00 O ATOM 678 CB ASP A 286 -10.715 -7.347 7.253 1.00 0.00 C ATOM 679 CG ASP A 286 -11.386 -8.731 7.218 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.899 -9.654 7.915 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.423 -8.881 6.527 1.00 0.00 O ATOM 0 H ASP A 286 -9.379 -5.347 7.248 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.679 -8.093 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.623 -7.021 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.357 -6.626 6.748 1.00 0.00 H new ATOM 686 N GLN A 287 -9.230 -6.726 4.204 1.00 0.00 N ATOM 687 CA GLN A 287 -9.269 -6.854 2.744 1.00 0.00 C ATOM 688 C GLN A 287 -7.854 -6.819 2.121 1.00 0.00 C ATOM 689 O GLN A 287 -7.708 -6.684 0.904 1.00 0.00 O ATOM 690 CB GLN A 287 -10.203 -5.756 2.192 1.00 0.00 C ATOM 691 CG GLN A 287 -11.671 -6.013 2.578 1.00 0.00 C ATOM 692 CD GLN A 287 -12.557 -4.782 2.401 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.017 -4.460 1.313 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.826 -4.040 3.455 1.00 0.00 N ATOM 0 H GLN A 287 -9.039 -5.768 4.499 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.668 -7.829 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.890 -4.785 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.114 -5.714 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.064 -6.828 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.716 -6.340 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.450 -4.296 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.410 -3.210 3.358 1.00 0.00 H new ATOM 703 N ASN A 288 -6.800 -6.957 2.937 1.00 0.00 N ATOM 704 CA ASN A 288 -5.405 -7.001 2.487 1.00 0.00 C ATOM 705 C ASN A 288 -5.020 -8.329 1.807 1.00 0.00 C ATOM 706 O ASN A 288 -5.594 -9.385 2.094 1.00 0.00 O ATOM 707 CB ASN A 288 -4.477 -6.710 3.680 1.00 0.00 C ATOM 708 CG ASN A 288 -3.092 -6.259 3.232 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.954 -5.437 2.340 1.00 0.00 O ATOM 710 ND2 ASN A 288 -2.031 -6.808 3.791 1.00 0.00 N ATOM 0 H ASN A 288 -6.897 -7.043 3.949 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.287 -6.233 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.924 -5.938 4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.385 -7.606 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.096 -6.546 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.145 -7.495 4.536 1.00 0.00 H new ATOM 717 N THR A 289 -4.001 -8.276 0.939 1.00 0.00 N ATOM 718 CA THR A 289 -3.446 -9.435 0.215 1.00 0.00 C ATOM 719 C THR A 289 -2.373 -10.180 1.002 1.00 0.00 C ATOM 720 O THR A 289 -2.070 -11.326 0.676 1.00 0.00 O ATOM 721 CB THR A 289 -2.868 -8.992 -1.133 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.962 -7.929 -0.923 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.963 -8.510 -2.082 1.00 0.00 C ATOM 0 H THR A 289 -3.524 -7.403 0.712 1.00 0.00 H new ATOM 0 HA THR A 289 -4.276 -10.126 0.065 1.00 0.00 H new ATOM 0 HB THR A 289 -2.369 -9.851 -1.582 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.588 -7.643 -1.783 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.516 -8.204 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.672 -9.319 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.484 -7.663 -1.636 1.00 0.00 H new ATOM 731 N ASP A 290 -1.819 -9.557 2.044 1.00 0.00 N ATOM 732 CA ASP A 290 -0.688 -10.065 2.822 1.00 0.00 C ATOM 733 C ASP A 290 -1.101 -10.384 4.267 1.00 0.00 C ATOM 734 O ASP A 290 -1.469 -9.491 5.033 1.00 0.00 O ATOM 735 CB ASP A 290 0.473 -9.048 2.768 1.00 0.00 C ATOM 736 CG ASP A 290 1.778 -9.691 2.270 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.128 -10.789 2.763 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.442 -9.101 1.385 1.00 0.00 O ATOM 0 H ASP A 290 -2.157 -8.655 2.380 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.348 -11.003 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.202 -8.222 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.632 -8.626 3.760 1.00 0.00 H new ATOM 743 N VAL A 291 -1.015 -11.665 4.642 1.00 0.00 N ATOM 744 CA VAL A 291 -1.483 -12.205 5.942 1.00 0.00 C ATOM 745 C VAL A 291 -0.706 -11.668 7.151 1.00 0.00 C ATOM 746 O VAL A 291 -1.177 -11.738 8.284 1.00 0.00 O ATOM 747 CB VAL A 291 -1.448 -13.752 5.984 1.00 0.00 C ATOM 748 CG1 VAL A 291 -2.342 -14.345 4.885 1.00 0.00 C ATOM 749 CG2 VAL A 291 -0.018 -14.313 5.855 1.00 0.00 C ATOM 0 H VAL A 291 -0.609 -12.381 4.040 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.513 -11.857 6.017 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.830 -14.047 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -2.303 -15.433 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.369 -14.012 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.989 -14.011 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 291 -0.050 -15.402 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.414 -13.993 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.594 -13.941 6.677 1.00 0.00 H new ATOM 759 N GLN A 292 0.480 -11.111 6.899 1.00 0.00 N ATOM 760 CA GLN A 292 1.332 -10.456 7.889 1.00 0.00 C ATOM 761 C GLN A 292 0.762 -9.119 8.381 1.00 0.00 C ATOM 762 O GLN A 292 1.169 -8.655 9.444 1.00 0.00 O ATOM 763 CB GLN A 292 2.763 -10.309 7.339 1.00 0.00 C ATOM 764 CG GLN A 292 2.865 -10.040 5.829 1.00 0.00 C ATOM 765 CD GLN A 292 4.258 -9.593 5.379 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.448 -8.516 4.828 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.288 -10.390 5.588 1.00 0.00 N ATOM 0 H GLN A 292 0.887 -11.104 5.964 1.00 0.00 H new ATOM 0 HA GLN A 292 1.363 -11.096 8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.256 -9.495 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.317 -11.220 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.591 -10.945 5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.140 -9.273 5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.151 -11.291 6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.222 -10.105 5.292 1.00 0.00 H new ATOM 776 N TYR A 293 -0.203 -8.533 7.660 1.00 0.00 N ATOM 777 CA TYR A 293 -0.850 -7.255 8.007 1.00 0.00 C ATOM 778 C TYR A 293 -2.359 -7.225 7.672 1.00 0.00 C ATOM 779 O TYR A 293 -2.942 -6.159 7.469 1.00 0.00 O ATOM 780 CB TYR A 293 -0.080 -6.085 7.368 1.00 0.00 C ATOM 781 CG TYR A 293 1.365 -5.943 7.811 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.674 -5.153 8.933 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.398 -6.609 7.126 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.002 -5.029 9.378 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.728 -6.503 7.570 1.00 0.00 C ATOM 786 CZ TYR A 293 4.037 -5.711 8.699 1.00 0.00 C ATOM 787 OH TYR A 293 5.325 -5.616 9.136 1.00 0.00 O ATOM 0 H TYR A 293 -0.566 -8.942 6.799 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.804 -7.145 9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 293 -0.101 -6.206 6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.606 -5.158 7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.884 -4.637 9.458 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.168 -7.205 6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.230 -4.414 10.236 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.514 -7.027 7.048 1.00 0.00 H new ATOM 0 HH TYR A 293 5.908 -6.148 8.555 1.00 0.00 H new ATOM 797 N ASN A 294 -3.013 -8.392 7.618 1.00 0.00 N ATOM 798 CA ASN A 294 -4.420 -8.541 7.213 1.00 0.00 C ATOM 799 C ASN A 294 -5.454 -8.300 8.341 1.00 0.00 C ATOM 800 O ASN A 294 -6.593 -8.765 8.255 1.00 0.00 O ATOM 801 CB ASN A 294 -4.629 -9.888 6.499 1.00 0.00 C ATOM 802 CG ASN A 294 -4.675 -11.099 7.435 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.268 -11.053 8.590 1.00 0.00 O ATOM 804 ND2 ASN A 294 -5.183 -12.221 6.959 1.00 0.00 N ATOM 0 H ASN A 294 -2.571 -9.279 7.859 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.619 -7.733 6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.560 -9.845 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.825 -10.032 5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -5.237 -13.049 7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.522 -12.260 5.998 1.00 0.00 H new ATOM 811 N ARG A 295 -5.054 -7.605 9.414 1.00 0.00 N ATOM 812 CA ARG A 295 -5.879 -7.302 10.588 1.00 0.00 C ATOM 813 C ARG A 295 -5.605 -5.905 11.136 1.00 0.00 C ATOM 814 O ARG A 295 -4.455 -5.495 11.288 1.00 0.00 O ATOM 815 CB ARG A 295 -5.591 -8.322 11.698 1.00 0.00 C ATOM 816 CG ARG A 295 -6.506 -9.547 11.630 1.00 0.00 C ATOM 817 CD ARG A 295 -6.072 -10.550 12.702 1.00 0.00 C ATOM 818 NE ARG A 295 -7.002 -11.687 12.787 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.891 -12.734 13.598 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.891 -12.859 14.447 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.800 -13.684 13.567 1.00 0.00 N ATOM 0 H ARG A 295 -4.111 -7.224 9.490 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.921 -7.352 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.553 -8.646 11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.709 -7.839 12.668 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.543 -9.252 11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.451 -10.004 10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -5.070 -10.915 12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -6.018 -10.050 13.669 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.809 -11.670 12.164 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.171 -12.138 14.496 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.837 -13.676 15.055 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.587 -13.616 12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.718 -14.489 14.188 1.00 0.00 H new ATOM 835 N CYS A 296 -6.676 -5.237 11.551 1.00 0.00 N ATOM 836 CA CYS A 296 -6.674 -3.932 12.209 1.00 0.00 C ATOM 837 C CYS A 296 -5.950 -3.880 13.570 1.00 0.00 C ATOM 838 O CYS A 296 -5.604 -2.801 14.056 1.00 0.00 O ATOM 839 CB CYS A 296 -8.145 -3.559 12.378 1.00 0.00 C ATOM 840 SG CYS A 296 -8.755 -2.804 10.849 1.00 0.00 S ATOM 0 H CYS A 296 -7.618 -5.609 11.432 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.111 -3.232 11.592 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.731 -4.446 12.617 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.262 -2.865 13.211 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.757 -2.585 10.045 1.00 0.00 H new ATOM 845 N ASP A 297 -5.697 -5.042 14.169 1.00 0.00 N ATOM 846 CA ASP A 297 -5.010 -5.194 15.451 1.00 0.00 C ATOM 847 C ASP A 297 -3.494 -5.378 15.252 1.00 0.00 C ATOM 848 O ASP A 297 -2.738 -5.507 16.215 1.00 0.00 O ATOM 849 CB ASP A 297 -5.680 -6.358 16.192 1.00 0.00 C ATOM 850 CG ASP A 297 -5.240 -6.479 17.662 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.457 -5.517 18.438 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.721 -7.554 18.048 1.00 0.00 O ATOM 0 H ASP A 297 -5.974 -5.935 13.761 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.100 -4.294 16.059 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.762 -6.229 16.153 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.451 -7.289 15.674 1.00 0.00 H new ATOM 857 N ILE A 298 -3.043 -5.357 13.990 1.00 0.00 N ATOM 858 CA ILE A 298 -1.637 -5.432 13.599 1.00 0.00 C ATOM 859 C ILE A 298 -1.128 -4.014 13.302 1.00 0.00 C ATOM 860 O ILE A 298 -1.775 -3.291 12.531 1.00 0.00 O ATOM 861 CB ILE A 298 -1.423 -6.365 12.388 1.00 0.00 C ATOM 862 CG1 ILE A 298 -2.026 -7.751 12.694 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.076 -6.476 12.079 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.841 -8.793 11.586 1.00 0.00 C ATOM 0 H ILE A 298 -3.672 -5.285 13.190 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.067 -5.861 14.423 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.924 -5.954 11.512 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.576 -8.133 13.611 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.092 -7.633 12.887 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.223 -7.135 11.224 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.474 -5.488 11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.597 -6.884 12.945 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.297 -9.734 11.892 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.317 -8.440 10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.777 -8.947 11.406 1.00 0.00 H new ATOM 876 N PRO A 299 0.029 -3.626 13.866 1.00 0.00 N ATOM 877 CA PRO A 299 0.624 -2.311 13.677 1.00 0.00 C ATOM 878 C PRO A 299 1.037 -2.063 12.223 1.00 0.00 C ATOM 879 O PRO A 299 1.174 -2.990 11.427 1.00 0.00 O ATOM 880 CB PRO A 299 1.828 -2.287 14.621 1.00 0.00 C ATOM 881 CG PRO A 299 2.226 -3.750 14.780 1.00 0.00 C ATOM 882 CD PRO A 299 0.883 -4.465 14.696 1.00 0.00 C ATOM 0 HA PRO A 299 -0.087 -1.515 13.899 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.645 -1.697 14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.569 -1.841 15.581 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.908 -4.073 13.994 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.726 -3.934 15.731 1.00 0.00 H new ATOM 0 HD2 PRO A 299 0.997 -5.457 14.260 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.451 -4.600 15.688 1.00 0.00 H new ATOM 890 N GLU A 300 1.239 -0.792 11.876 1.00 0.00 N ATOM 891 CA GLU A 300 1.737 -0.371 10.567 1.00 0.00 C ATOM 892 C GLU A 300 3.238 -0.722 10.404 1.00 0.00 C ATOM 893 O GLU A 300 4.006 -0.732 11.372 1.00 0.00 O ATOM 894 CB GLU A 300 1.418 1.128 10.402 1.00 0.00 C ATOM 895 CG GLU A 300 0.845 1.496 9.032 1.00 0.00 C ATOM 896 CD GLU A 300 1.901 1.487 7.923 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.171 0.391 7.384 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.442 2.572 7.605 1.00 0.00 O ATOM 0 H GLU A 300 1.058 -0.012 12.508 1.00 0.00 H new ATOM 0 HA GLU A 300 1.240 -0.912 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.707 1.424 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.329 1.703 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.050 0.795 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.392 2.486 9.087 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.979 5.857 1.089 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.912 6.562 0.357 1.00 0.00 C ATOM 1029 C ARG B 2 -6.917 5.582 -0.272 1.00 0.00 C ATOM 1030 O ARG B 2 -6.673 4.490 0.251 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.158 7.574 1.235 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.996 8.825 1.526 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.171 9.881 2.272 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.974 11.081 2.573 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.172 12.133 1.783 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -7.649 12.215 0.576 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.913 13.133 2.206 1.00 0.00 N ATOM 0 HA ARG B 2 -8.414 7.117 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.878 7.099 2.175 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.233 7.866 0.738 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.367 9.243 0.591 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.867 8.552 2.121 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.788 9.456 3.200 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.307 10.162 1.669 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.427 11.107 3.487 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -7.070 11.455 0.218 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -7.823 13.038 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.332 13.100 3.135 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -9.069 13.942 1.605 1.00 0.00 H new ATOM 1051 N THR B 3 -6.321 6.023 -1.379 1.00 0.00 N ATOM 1052 CA THR B 3 -5.316 5.313 -2.179 1.00 0.00 C ATOM 1053 C THR B 3 -4.204 6.273 -2.574 1.00 0.00 C ATOM 1054 O THR B 3 -4.433 7.466 -2.785 1.00 0.00 O ATOM 1055 CB THR B 3 -5.933 4.674 -3.432 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.801 5.570 -4.093 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.698 3.395 -3.099 1.00 0.00 C ATOM 0 H THR B 3 -6.538 6.941 -1.767 1.00 0.00 H new ATOM 0 HA THR B 3 -4.907 4.508 -1.568 1.00 0.00 H new ATOM 0 HB THR B 3 -5.101 4.426 -4.091 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.177 5.136 -4.887 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.119 2.974 -4.012 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.019 2.672 -2.646 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.503 3.624 -2.401 1.00 0.00 H new