USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 448 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 300 SER OG : rot 40:sc= 0.708 USER MOD Set 1.2: A 303 THR OG1 : rot -57:sc= -0.0372 USER MOD Set 2.1: A 299 THR OG1 : rot -102:sc= 1.18 USER MOD Set 2.2: A 306 SER OG : rot 180:sc= 1.06 USER MOD Set 3.1: A 288 GLN : amide:sc= 0.191 K(o=-0.071,f=-2.8) USER MOD Set 3.2: A 291 THR OG1 : rot 125:sc= -0.261 USER MOD Single : A 258 THR OG1 : rot -67:sc= 0.0374 USER MOD Single : A 260 GLN : amide:sc= -4.9! C(o=-4.9!,f=-7.7!) USER MOD Single : A 263 TYR OH : rot 180:sc= 0 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 266 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 269 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.72) USER MOD Single : A 283 MET CE :methyl -137:sc= -0.249 (180deg=-0.466) USER MOD Single : A 284 SER OG : rot 180:sc= -0.199 USER MOD Single : A 286 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 289 THR OG1 : rot 40:sc= 0.155 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 292 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 305 CYS SG : rot 180:sc= 0 USER MOD Single : A 312 ASN : amide:sc= -1.15! C(o=-1.1!,f=-1.8!) USER MOD Single : A 313 TYR OH : rot 180:sc= 0 USER MOD Single : A 315 THR OG1 : rot 180:sc=-0.00539 USER MOD Single : A 316 LYS NZ :NH3+ -122:sc= -0.0294 (180deg=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 217 N GLU A 257 5.707 0.930 -3.682 1.00 0.00 N ATOM 218 CA GLU A 257 5.446 1.941 -4.701 1.00 0.00 C ATOM 219 C GLU A 257 4.382 2.927 -4.229 1.00 0.00 C ATOM 220 O GLU A 257 3.512 2.584 -3.427 1.00 0.00 O ATOM 221 CB GLU A 257 5.001 1.278 -6.006 1.00 0.00 C ATOM 222 CG GLU A 257 3.792 0.371 -5.846 1.00 0.00 C ATOM 223 CD GLU A 257 3.332 -0.225 -7.163 1.00 0.00 C ATOM 224 OE1 GLU A 257 4.189 -0.460 -8.040 1.00 0.00 O ATOM 225 OE2 GLU A 257 2.114 -0.456 -7.315 1.00 0.00 O ATOM 0 HA GLU A 257 6.371 2.490 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 257 4.769 2.053 -6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 257 5.830 0.697 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 257 4.035 -0.434 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 257 2.973 0.938 -5.402 1.00 0.00 H new ATOM 232 N THR A 258 4.457 4.155 -4.732 1.00 0.00 N ATOM 233 CA THR A 258 3.503 5.193 -4.362 1.00 0.00 C ATOM 234 C THR A 258 2.565 5.516 -5.520 1.00 0.00 C ATOM 235 O THR A 258 3.009 5.747 -6.646 1.00 0.00 O ATOM 236 CB THR A 258 4.218 6.483 -3.920 1.00 0.00 C ATOM 237 OG1 THR A 258 5.214 6.179 -2.937 1.00 0.00 O ATOM 238 CG2 THR A 258 3.225 7.485 -3.351 1.00 0.00 C ATOM 0 H THR A 258 5.169 4.455 -5.397 1.00 0.00 H new ATOM 0 HA THR A 258 2.923 4.804 -3.525 1.00 0.00 H new ATOM 0 HB THR A 258 4.695 6.926 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 258 4.779 5.865 -2.117 1.00 0.00 H new ATOM 0 HG21 THR A 258 3.754 8.388 -3.046 1.00 0.00 H new ATOM 0 HG22 THR A 258 2.486 7.737 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 258 2.723 7.049 -2.487 1.00 0.00 H new ATOM 246 N LEU A 259 1.267 5.531 -5.238 1.00 0.00 N ATOM 247 CA LEU A 259 0.266 5.827 -6.256 1.00 0.00 C ATOM 248 C LEU A 259 -0.731 6.867 -5.754 1.00 0.00 C ATOM 249 O LEU A 259 -1.015 6.941 -4.559 1.00 0.00 O ATOM 250 CB LEU A 259 -0.472 4.550 -6.661 1.00 0.00 C ATOM 251 CG LEU A 259 0.395 3.305 -6.851 1.00 0.00 C ATOM 252 CD1 LEU A 259 -0.471 2.058 -6.931 1.00 0.00 C ATOM 253 CD2 LEU A 259 1.255 3.440 -8.099 1.00 0.00 C ATOM 0 H LEU A 259 0.883 5.341 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 259 0.780 6.234 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -1.224 4.332 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -1.005 4.742 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 259 1.054 3.210 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 259 0.164 1.182 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -1.043 1.953 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -1.155 2.144 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 259 1.866 2.545 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 259 0.613 3.561 -8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 259 1.903 4.311 -8.002 1.00 0.00 H new ATOM 265 N GLN A 260 -1.258 7.667 -6.676 1.00 0.00 N ATOM 266 CA GLN A 260 -2.225 8.701 -6.326 1.00 0.00 C ATOM 267 C GLN A 260 -3.620 8.332 -6.819 1.00 0.00 C ATOM 268 O GLN A 260 -3.797 7.935 -7.971 1.00 0.00 O ATOM 269 CB GLN A 260 -1.800 10.046 -6.918 1.00 0.00 C ATOM 270 CG GLN A 260 -2.472 11.240 -6.259 1.00 0.00 C ATOM 271 CD GLN A 260 -3.964 11.290 -6.524 1.00 0.00 C ATOM 272 OE1 GLN A 260 -4.774 11.052 -5.628 1.00 0.00 O ATOM 273 NE2 GLN A 260 -4.336 11.601 -7.761 1.00 0.00 N ATOM 0 H GLN A 260 -1.032 7.619 -7.669 1.00 0.00 H new ATOM 0 HA GLN A 260 -2.255 8.783 -5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -0.719 10.150 -6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -2.029 10.053 -7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -2.299 11.201 -5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -2.011 12.158 -6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -3.631 11.791 -8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -5.327 11.650 -7.999 1.00 0.00 H new ATOM 282 N VAL A 261 -4.608 8.466 -5.940 1.00 0.00 N ATOM 283 CA VAL A 261 -5.988 8.147 -6.286 1.00 0.00 C ATOM 284 C VAL A 261 -6.514 9.085 -7.366 1.00 0.00 C ATOM 285 O VAL A 261 -6.356 10.303 -7.276 1.00 0.00 O ATOM 286 CB VAL A 261 -6.909 8.232 -5.055 1.00 0.00 C ATOM 287 CG1 VAL A 261 -8.369 8.141 -5.473 1.00 0.00 C ATOM 288 CG2 VAL A 261 -6.564 7.138 -4.055 1.00 0.00 C ATOM 0 H VAL A 261 -4.478 8.793 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 261 -5.992 7.124 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 261 -6.753 9.197 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 261 -9.005 8.203 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 261 -8.606 8.963 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 261 -8.544 7.192 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 261 -7.225 7.213 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 261 -6.690 6.163 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 261 -5.530 7.254 -3.732 1.00 0.00 H new ATOM 298 N ILE A 262 -7.139 8.510 -8.388 1.00 0.00 N ATOM 299 CA ILE A 262 -7.691 9.295 -9.485 1.00 0.00 C ATOM 300 C ILE A 262 -9.207 9.413 -9.370 1.00 0.00 C ATOM 301 O ILE A 262 -9.815 10.317 -9.943 1.00 0.00 O ATOM 302 CB ILE A 262 -7.337 8.679 -10.852 1.00 0.00 C ATOM 303 CG1 ILE A 262 -7.204 7.159 -10.731 1.00 0.00 C ATOM 304 CG2 ILE A 262 -6.051 9.287 -11.390 1.00 0.00 C ATOM 305 CD1 ILE A 262 -7.130 6.452 -12.066 1.00 0.00 C ATOM 0 H ILE A 262 -7.276 7.503 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 262 -7.246 10.288 -9.417 1.00 0.00 H new ATOM 0 HB ILE A 262 -8.141 8.900 -11.553 1.00 0.00 H new ATOM 0 HG12 ILE A 262 -6.309 6.925 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 262 -8.054 6.771 -10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 262 -5.814 8.842 -12.356 1.00 0.00 H new ATOM 0 HG22 ILE A 262 -6.179 10.363 -11.508 1.00 0.00 H new ATOM 0 HG23 ILE A 262 -5.237 9.093 -10.692 1.00 0.00 H new ATOM 0 HD11 ILE A 262 -7.037 5.378 -11.904 1.00 0.00 H new ATOM 0 HD12 ILE A 262 -8.036 6.656 -12.636 1.00 0.00 H new ATOM 0 HD13 ILE A 262 -6.264 6.812 -12.621 1.00 0.00 H new ATOM 317 N TYR A 263 -9.810 8.494 -8.625 1.00 0.00 N ATOM 318 CA TYR A 263 -11.256 8.493 -8.435 1.00 0.00 C ATOM 319 C TYR A 263 -11.629 7.861 -7.097 1.00 0.00 C ATOM 320 O TYR A 263 -11.000 6.910 -6.634 1.00 0.00 O ATOM 321 CB TYR A 263 -11.942 7.740 -9.576 1.00 0.00 C ATOM 322 CG TYR A 263 -11.673 8.334 -10.941 1.00 0.00 C ATOM 323 CD1 TYR A 263 -12.405 9.421 -11.403 1.00 0.00 C ATOM 324 CD2 TYR A 263 -10.687 7.809 -11.767 1.00 0.00 C ATOM 325 CE1 TYR A 263 -12.164 9.966 -12.649 1.00 0.00 C ATOM 326 CE2 TYR A 263 -10.438 8.349 -13.014 1.00 0.00 C ATOM 327 CZ TYR A 263 -11.179 9.427 -13.451 1.00 0.00 C ATOM 328 OH TYR A 263 -10.935 9.968 -14.692 1.00 0.00 O ATOM 0 H TYR A 263 -9.321 7.740 -8.143 1.00 0.00 H new ATOM 0 HA TYR A 263 -11.597 9.528 -8.436 1.00 0.00 H new ATOM 0 HB2 TYR A 263 -11.608 6.702 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 263 -13.017 7.730 -9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 263 -13.175 9.847 -10.777 1.00 0.00 H new ATOM 0 HD2 TYR A 263 -10.105 6.964 -11.429 1.00 0.00 H new ATOM 0 HE1 TYR A 263 -12.743 10.810 -12.994 1.00 0.00 H new ATOM 0 HE2 TYR A 263 -9.667 7.929 -13.643 1.00 0.00 H new ATOM 0 HH TYR A 263 -10.210 9.473 -15.128 1.00 0.00 H new ATOM 338 N PRO A 264 -12.679 8.401 -6.461 1.00 0.00 N ATOM 339 CA PRO A 264 -13.162 7.906 -5.169 1.00 0.00 C ATOM 340 C PRO A 264 -13.813 6.532 -5.281 1.00 0.00 C ATOM 341 O PRO A 264 -14.356 6.175 -6.327 1.00 0.00 O ATOM 342 CB PRO A 264 -14.196 8.955 -4.751 1.00 0.00 C ATOM 343 CG PRO A 264 -14.662 9.558 -6.031 1.00 0.00 C ATOM 344 CD PRO A 264 -13.476 9.537 -6.955 1.00 0.00 C ATOM 0 HA PRO A 264 -12.350 7.778 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 264 -15.022 8.501 -4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 264 -13.755 9.707 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 264 -15.493 8.991 -6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 264 -15.018 10.577 -5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 264 -13.778 9.395 -7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 264 -12.915 10.471 -6.911 1.00 0.00 H new ATOM 352 N TYR A 265 -13.755 5.765 -4.197 1.00 0.00 N ATOM 353 CA TYR A 265 -14.338 4.429 -4.175 1.00 0.00 C ATOM 354 C TYR A 265 -14.981 4.137 -2.823 1.00 0.00 C ATOM 355 O TYR A 265 -14.384 4.377 -1.772 1.00 0.00 O ATOM 356 CB TYR A 265 -13.268 3.379 -4.481 1.00 0.00 C ATOM 357 CG TYR A 265 -13.723 1.959 -4.226 1.00 0.00 C ATOM 358 CD1 TYR A 265 -14.655 1.348 -5.056 1.00 0.00 C ATOM 359 CD2 TYR A 265 -13.222 1.230 -3.155 1.00 0.00 C ATOM 360 CE1 TYR A 265 -15.074 0.052 -4.826 1.00 0.00 C ATOM 361 CE2 TYR A 265 -13.634 -0.067 -2.918 1.00 0.00 C ATOM 362 CZ TYR A 265 -14.560 -0.652 -3.757 1.00 0.00 C ATOM 363 OH TYR A 265 -14.975 -1.943 -3.524 1.00 0.00 O ATOM 0 H TYR A 265 -13.310 6.046 -3.323 1.00 0.00 H new ATOM 0 HA TYR A 265 -15.112 4.385 -4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 265 -12.966 3.473 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 265 -12.386 3.584 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 265 -15.059 1.896 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 265 -12.498 1.685 -2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 265 -15.800 -0.408 -5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 265 -13.234 -0.620 -2.081 1.00 0.00 H new ATOM 0 HH TYR A 265 -14.516 -2.297 -2.734 1.00 0.00 H new ATOM 373 N THR A 266 -16.204 3.617 -2.856 1.00 0.00 N ATOM 374 CA THR A 266 -16.930 3.293 -1.635 1.00 0.00 C ATOM 375 C THR A 266 -16.927 1.790 -1.377 1.00 0.00 C ATOM 376 O THR A 266 -17.670 1.028 -1.996 1.00 0.00 O ATOM 377 CB THR A 266 -18.387 3.788 -1.699 1.00 0.00 C ATOM 378 OG1 THR A 266 -18.424 5.143 -2.161 1.00 0.00 O ATOM 379 CG2 THR A 266 -19.051 3.695 -0.334 1.00 0.00 C ATOM 0 H THR A 266 -16.712 3.411 -3.716 1.00 0.00 H new ATOM 0 HA THR A 266 -16.417 3.801 -0.818 1.00 0.00 H new ATOM 0 HB THR A 266 -18.933 3.151 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 266 -19.354 5.450 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 266 -20.079 4.050 -0.405 1.00 0.00 H new ATOM 0 HG22 THR A 266 -19.047 2.658 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 266 -18.503 4.310 0.380 1.00 0.00 H new ATOM 387 N PRO A 267 -16.073 1.352 -0.440 1.00 0.00 N ATOM 388 CA PRO A 267 -15.954 -0.064 -0.077 1.00 0.00 C ATOM 389 C PRO A 267 -17.184 -0.577 0.664 1.00 0.00 C ATOM 390 O PRO A 267 -18.061 0.199 1.040 1.00 0.00 O ATOM 391 CB PRO A 267 -14.727 -0.094 0.837 1.00 0.00 C ATOM 392 CG PRO A 267 -14.647 1.280 1.408 1.00 0.00 C ATOM 393 CD PRO A 267 -15.158 2.204 0.337 1.00 0.00 C ATOM 0 HA PRO A 267 -15.864 -0.704 -0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -14.836 -0.843 1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -13.824 -0.345 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -15.248 1.362 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -13.622 1.530 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -15.674 3.065 0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.347 2.591 -0.280 1.00 0.00 H new ATOM 401 N GLN A 268 -17.240 -1.889 0.870 1.00 0.00 N ATOM 402 CA GLN A 268 -18.363 -2.505 1.566 1.00 0.00 C ATOM 403 C GLN A 268 -17.880 -3.339 2.749 1.00 0.00 C ATOM 404 O GLN A 268 -18.664 -3.710 3.620 1.00 0.00 O ATOM 405 CB GLN A 268 -19.168 -3.381 0.605 1.00 0.00 C ATOM 406 CG GLN A 268 -19.551 -2.675 -0.686 1.00 0.00 C ATOM 407 CD GLN A 268 -20.880 -1.952 -0.583 1.00 0.00 C ATOM 408 OE1 GLN A 268 -21.906 -2.557 -0.270 1.00 0.00 O ATOM 409 NE2 GLN A 268 -20.868 -0.651 -0.846 1.00 0.00 N ATOM 0 H GLN A 268 -16.521 -2.545 0.565 1.00 0.00 H new ATOM 0 HA GLN A 268 -19.004 -1.708 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -18.586 -4.271 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -20.074 -3.719 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -18.772 -1.960 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -19.600 -3.405 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -19.995 -0.190 -1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -21.732 -0.112 -0.793 1.00 0.00 H new ATOM 418 N ASN A 269 -16.583 -3.629 2.771 1.00 0.00 N ATOM 419 CA ASN A 269 -15.995 -4.420 3.846 1.00 0.00 C ATOM 420 C ASN A 269 -14.524 -4.062 4.042 1.00 0.00 C ATOM 421 O ASN A 269 -14.003 -3.156 3.393 1.00 0.00 O ATOM 422 CB ASN A 269 -16.132 -5.913 3.542 1.00 0.00 C ATOM 423 CG ASN A 269 -17.554 -6.409 3.713 1.00 0.00 C ATOM 424 OD1 ASN A 269 -18.155 -6.253 4.776 1.00 0.00 O ATOM 425 ND2 ASN A 269 -18.100 -7.012 2.663 1.00 0.00 N ATOM 0 H ASN A 269 -15.920 -3.328 2.057 1.00 0.00 H new ATOM 0 HA ASN A 269 -16.532 -4.193 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 269 -15.804 -6.105 2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 269 -15.472 -6.477 4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 269 -19.054 -7.367 2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 269 -17.565 -7.120 1.801 1.00 0.00 H new ATOM 432 N ASP A 270 -13.862 -4.780 4.942 1.00 0.00 N ATOM 433 CA ASP A 270 -12.451 -4.541 5.224 1.00 0.00 C ATOM 434 C ASP A 270 -11.578 -5.016 4.067 1.00 0.00 C ATOM 435 O ASP A 270 -10.576 -4.385 3.733 1.00 0.00 O ATOM 436 CB ASP A 270 -12.040 -5.249 6.515 1.00 0.00 C ATOM 437 CG ASP A 270 -10.714 -4.748 7.053 1.00 0.00 C ATOM 438 OD1 ASP A 270 -10.644 -3.566 7.452 1.00 0.00 O ATOM 439 OD2 ASP A 270 -9.747 -5.537 7.077 1.00 0.00 O ATOM 0 H ASP A 270 -14.280 -5.533 5.489 1.00 0.00 H new ATOM 0 HA ASP A 270 -12.307 -3.468 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 270 -12.814 -5.102 7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 270 -11.973 -6.321 6.332 1.00 0.00 H new ATOM 444 N ASP A 271 -11.964 -6.134 3.462 1.00 0.00 N ATOM 445 CA ASP A 271 -11.216 -6.695 2.342 1.00 0.00 C ATOM 446 C ASP A 271 -10.635 -5.588 1.469 1.00 0.00 C ATOM 447 O ASP A 271 -9.506 -5.692 0.988 1.00 0.00 O ATOM 448 CB ASP A 271 -12.117 -7.603 1.504 1.00 0.00 C ATOM 449 CG ASP A 271 -13.171 -8.303 2.339 1.00 0.00 C ATOM 450 OD1 ASP A 271 -14.230 -7.691 2.594 1.00 0.00 O ATOM 451 OD2 ASP A 271 -12.938 -9.464 2.737 1.00 0.00 O ATOM 0 H ASP A 271 -12.790 -6.670 3.728 1.00 0.00 H new ATOM 0 HA ASP A 271 -10.393 -7.285 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -12.605 -7.011 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -11.505 -8.349 0.997 1.00 0.00 H new ATOM 456 N GLU A 272 -11.413 -4.530 1.266 1.00 0.00 N ATOM 457 CA GLU A 272 -10.975 -3.405 0.448 1.00 0.00 C ATOM 458 C GLU A 272 -10.670 -2.187 1.316 1.00 0.00 C ATOM 459 O GLU A 272 -10.811 -2.231 2.539 1.00 0.00 O ATOM 460 CB GLU A 272 -12.044 -3.052 -0.588 1.00 0.00 C ATOM 461 CG GLU A 272 -13.414 -2.790 0.015 1.00 0.00 C ATOM 462 CD GLU A 272 -14.226 -4.058 0.191 1.00 0.00 C ATOM 463 OE1 GLU A 272 -13.631 -5.156 0.135 1.00 0.00 O ATOM 464 OE2 GLU A 272 -15.455 -3.955 0.382 1.00 0.00 O ATOM 0 H GLU A 272 -12.350 -4.428 1.657 1.00 0.00 H new ATOM 0 HA GLU A 272 -10.062 -3.699 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 272 -11.725 -2.168 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 272 -12.123 -3.867 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 272 -13.294 -2.303 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 272 -13.962 -2.098 -0.624 1.00 0.00 H new ATOM 471 N LEU A 273 -10.252 -1.101 0.675 1.00 0.00 N ATOM 472 CA LEU A 273 -9.926 0.130 1.387 1.00 0.00 C ATOM 473 C LEU A 273 -10.547 1.339 0.695 1.00 0.00 C ATOM 474 O LEU A 273 -10.651 1.379 -0.530 1.00 0.00 O ATOM 475 CB LEU A 273 -8.409 0.303 1.479 1.00 0.00 C ATOM 476 CG LEU A 273 -7.915 1.701 1.851 1.00 0.00 C ATOM 477 CD1 LEU A 273 -8.012 1.919 3.353 1.00 0.00 C ATOM 478 CD2 LEU A 273 -6.486 1.907 1.372 1.00 0.00 C ATOM 0 H LEU A 273 -10.131 -1.048 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 273 -10.338 0.059 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 273 -8.027 -0.404 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 273 -7.973 0.029 0.518 1.00 0.00 H new ATOM 0 HG LEU A 273 -8.552 2.434 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 273 -7.656 2.919 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 273 -9.050 1.815 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 273 -7.400 1.179 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 273 -6.151 2.908 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 273 -5.836 1.167 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 273 -6.446 1.795 0.289 1.00 0.00 H new ATOM 490 N GLU A 274 -10.955 2.324 1.490 1.00 0.00 N ATOM 491 CA GLU A 274 -11.564 3.535 0.953 1.00 0.00 C ATOM 492 C GLU A 274 -10.559 4.327 0.122 1.00 0.00 C ATOM 493 O GLU A 274 -9.380 4.414 0.469 1.00 0.00 O ATOM 494 CB GLU A 274 -12.104 4.408 2.088 1.00 0.00 C ATOM 495 CG GLU A 274 -13.108 5.452 1.628 1.00 0.00 C ATOM 496 CD GLU A 274 -13.160 6.656 2.548 1.00 0.00 C ATOM 497 OE1 GLU A 274 -12.158 7.400 2.608 1.00 0.00 O ATOM 498 OE2 GLU A 274 -14.201 6.854 3.208 1.00 0.00 O ATOM 0 H GLU A 274 -10.875 2.307 2.507 1.00 0.00 H new ATOM 0 HA GLU A 274 -12.391 3.239 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 274 -12.574 3.768 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 274 -11.269 4.910 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 274 -12.850 5.780 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 274 -14.098 4.999 1.572 1.00 0.00 H new ATOM 505 N LEU A 275 -11.032 4.903 -0.978 1.00 0.00 N ATOM 506 CA LEU A 275 -10.175 5.688 -1.860 1.00 0.00 C ATOM 507 C LEU A 275 -10.603 7.152 -1.873 1.00 0.00 C ATOM 508 O LEU A 275 -11.781 7.464 -2.050 1.00 0.00 O ATOM 509 CB LEU A 275 -10.216 5.120 -3.280 1.00 0.00 C ATOM 510 CG LEU A 275 -9.740 3.675 -3.439 1.00 0.00 C ATOM 511 CD1 LEU A 275 -9.365 3.393 -4.885 1.00 0.00 C ATOM 512 CD2 LEU A 275 -8.563 3.396 -2.516 1.00 0.00 C ATOM 0 H LEU A 275 -12.004 4.841 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 275 -9.155 5.630 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 275 -11.240 5.187 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 275 -9.606 5.755 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 275 -10.558 3.011 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 275 -9.029 2.360 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 275 -10.234 3.551 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 275 -8.563 4.065 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 275 -8.238 2.363 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 275 -7.741 4.068 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 275 -8.866 3.556 -1.481 1.00 0.00 H new ATOM 524 N VAL A 276 -9.638 8.046 -1.687 1.00 0.00 N ATOM 525 CA VAL A 276 -9.914 9.478 -1.681 1.00 0.00 C ATOM 526 C VAL A 276 -9.069 10.205 -2.722 1.00 0.00 C ATOM 527 O VAL A 276 -7.868 9.969 -2.858 1.00 0.00 O ATOM 528 CB VAL A 276 -9.645 10.095 -0.296 1.00 0.00 C ATOM 529 CG1 VAL A 276 -9.968 11.582 -0.302 1.00 0.00 C ATOM 530 CG2 VAL A 276 -10.448 9.371 0.774 1.00 0.00 C ATOM 0 H VAL A 276 -8.658 7.805 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 276 -10.969 9.598 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 276 -8.586 9.979 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 276 -9.772 12.001 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 276 -9.345 12.087 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 276 -11.019 11.725 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 276 -10.246 9.820 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 276 -11.511 9.454 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 276 -10.163 8.319 0.794 1.00 0.00 H new ATOM 540 N PRO A 277 -9.709 11.112 -3.475 1.00 0.00 N ATOM 541 CA PRO A 277 -9.035 11.893 -4.516 1.00 0.00 C ATOM 542 C PRO A 277 -8.063 12.916 -3.936 1.00 0.00 C ATOM 543 O PRO A 277 -8.465 13.833 -3.221 1.00 0.00 O ATOM 544 CB PRO A 277 -10.189 12.599 -5.233 1.00 0.00 C ATOM 545 CG PRO A 277 -11.274 12.679 -4.215 1.00 0.00 C ATOM 546 CD PRO A 277 -11.139 11.445 -3.367 1.00 0.00 C ATOM 0 HA PRO A 277 -8.430 11.264 -5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 277 -9.894 13.591 -5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 277 -10.511 12.040 -6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 277 -11.176 13.581 -3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 277 -12.254 12.720 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 277 -11.431 11.633 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 277 -11.769 10.635 -3.733 1.00 0.00 H new ATOM 554 N GLY A 278 -6.782 12.752 -4.250 1.00 0.00 N ATOM 555 CA GLY A 278 -5.773 13.669 -3.752 1.00 0.00 C ATOM 556 C GLY A 278 -4.864 13.027 -2.723 1.00 0.00 C ATOM 557 O GLY A 278 -3.967 13.677 -2.185 1.00 0.00 O ATOM 0 H GLY A 278 -6.425 12.001 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -5.173 14.032 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -6.262 14.537 -3.309 1.00 0.00 H new ATOM 561 N ASP A 279 -5.096 11.748 -2.446 1.00 0.00 N ATOM 562 CA ASP A 279 -4.291 11.018 -1.473 1.00 0.00 C ATOM 563 C ASP A 279 -3.330 10.062 -2.172 1.00 0.00 C ATOM 564 O ASP A 279 -3.354 9.925 -3.395 1.00 0.00 O ATOM 565 CB ASP A 279 -5.194 10.243 -0.512 1.00 0.00 C ATOM 566 CG ASP A 279 -4.564 10.063 0.855 1.00 0.00 C ATOM 567 OD1 ASP A 279 -3.486 10.646 1.093 1.00 0.00 O ATOM 568 OD2 ASP A 279 -5.149 9.338 1.687 1.00 0.00 O ATOM 0 H ASP A 279 -5.835 11.196 -2.881 1.00 0.00 H new ATOM 0 HA ASP A 279 -3.706 11.741 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 279 -6.143 10.769 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 279 -5.418 9.265 -0.937 1.00 0.00 H new ATOM 573 N PHE A 280 -2.485 9.402 -1.387 1.00 0.00 N ATOM 574 CA PHE A 280 -1.514 8.460 -1.930 1.00 0.00 C ATOM 575 C PHE A 280 -1.804 7.041 -1.448 1.00 0.00 C ATOM 576 O PHE A 280 -2.570 6.840 -0.505 1.00 0.00 O ATOM 577 CB PHE A 280 -0.095 8.867 -1.527 1.00 0.00 C ATOM 578 CG PHE A 280 0.510 9.904 -2.430 1.00 0.00 C ATOM 579 CD1 PHE A 280 0.649 9.664 -3.787 1.00 0.00 C ATOM 580 CD2 PHE A 280 0.938 11.120 -1.921 1.00 0.00 C ATOM 581 CE1 PHE A 280 1.206 10.616 -4.620 1.00 0.00 C ATOM 582 CE2 PHE A 280 1.496 12.076 -2.748 1.00 0.00 C ATOM 583 CZ PHE A 280 1.629 11.824 -4.100 1.00 0.00 C ATOM 0 H PHE A 280 -2.453 9.502 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 280 -1.595 8.480 -3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 280 -0.111 9.250 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 280 0.542 7.982 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 280 0.318 8.722 -4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.834 11.323 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 280 1.310 10.416 -5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 280 1.828 13.019 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 280 2.063 12.570 -4.749 1.00 0.00 H new ATOM 593 N ILE A 281 -1.186 6.063 -2.101 1.00 0.00 N ATOM 594 CA ILE A 281 -1.378 4.664 -1.739 1.00 0.00 C ATOM 595 C ILE A 281 -0.072 3.884 -1.849 1.00 0.00 C ATOM 596 O ILE A 281 0.597 3.914 -2.882 1.00 0.00 O ATOM 597 CB ILE A 281 -2.440 3.992 -2.629 1.00 0.00 C ATOM 598 CG1 ILE A 281 -3.773 4.734 -2.519 1.00 0.00 C ATOM 599 CG2 ILE A 281 -2.607 2.530 -2.242 1.00 0.00 C ATOM 600 CD1 ILE A 281 -4.453 4.559 -1.179 1.00 0.00 C ATOM 0 H ILE A 281 -0.548 6.213 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 281 -1.722 4.650 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 281 -2.106 4.037 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 281 -3.604 5.796 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 281 -4.441 4.383 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 281 -3.361 2.069 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 281 -1.658 2.010 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 281 -2.922 2.463 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -5.392 5.112 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 281 -4.654 3.501 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 281 -3.804 4.937 -0.389 1.00 0.00 H new ATOM 612 N PHE A 282 0.285 3.185 -0.776 1.00 0.00 N ATOM 613 CA PHE A 282 1.511 2.396 -0.752 1.00 0.00 C ATOM 614 C PHE A 282 1.230 0.942 -1.121 1.00 0.00 C ATOM 615 O PHE A 282 0.614 0.204 -0.353 1.00 0.00 O ATOM 616 CB PHE A 282 2.160 2.465 0.632 1.00 0.00 C ATOM 617 CG PHE A 282 2.818 3.785 0.920 1.00 0.00 C ATOM 618 CD1 PHE A 282 3.788 4.291 0.070 1.00 0.00 C ATOM 619 CD2 PHE A 282 2.466 4.519 2.041 1.00 0.00 C ATOM 620 CE1 PHE A 282 4.395 5.505 0.331 1.00 0.00 C ATOM 621 CE2 PHE A 282 3.069 5.734 2.308 1.00 0.00 C ATOM 622 CZ PHE A 282 4.035 6.227 1.453 1.00 0.00 C ATOM 0 H PHE A 282 -0.257 3.149 0.087 1.00 0.00 H new ATOM 0 HA PHE A 282 2.196 2.814 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 282 1.401 2.273 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 282 2.903 1.672 0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 282 4.073 3.730 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 282 1.712 4.138 2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 282 5.149 5.889 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 282 2.785 6.297 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 282 4.508 7.175 1.661 1.00 0.00 H new ATOM 632 N MET A 283 1.685 0.539 -2.303 1.00 0.00 N ATOM 633 CA MET A 283 1.483 -0.826 -2.775 1.00 0.00 C ATOM 634 C MET A 283 2.738 -1.666 -2.561 1.00 0.00 C ATOM 635 O MET A 283 3.846 -1.236 -2.881 1.00 0.00 O ATOM 636 CB MET A 283 1.102 -0.825 -4.256 1.00 0.00 C ATOM 637 CG MET A 283 0.200 -1.983 -4.652 1.00 0.00 C ATOM 638 SD MET A 283 0.913 -3.589 -4.245 1.00 0.00 S ATOM 639 CE MET A 283 2.350 -3.602 -5.314 1.00 0.00 C ATOM 0 H MET A 283 2.196 1.138 -2.951 1.00 0.00 H new ATOM 0 HA MET A 283 0.670 -1.267 -2.199 1.00 0.00 H new ATOM 0 HB2 MET A 283 0.600 0.113 -4.493 1.00 0.00 H new ATOM 0 HB3 MET A 283 2.011 -0.861 -4.857 1.00 0.00 H new ATOM 0 HG2 MET A 283 -0.761 -1.878 -4.149 1.00 0.00 H new ATOM 0 HG3 MET A 283 0.005 -1.937 -5.724 1.00 0.00 H new ATOM 0 HE1 MET A 283 2.448 -4.582 -5.780 1.00 0.00 H new ATOM 0 HE2 MET A 283 2.235 -2.843 -6.087 1.00 0.00 H new ATOM 0 HE3 MET A 283 3.243 -3.389 -4.726 1.00 0.00 H new ATOM 649 N SER A 284 2.557 -2.866 -2.019 1.00 0.00 N ATOM 650 CA SER A 284 3.676 -3.764 -1.759 1.00 0.00 C ATOM 651 C SER A 284 3.376 -5.168 -2.276 1.00 0.00 C ATOM 652 O SER A 284 2.275 -5.695 -2.115 1.00 0.00 O ATOM 653 CB SER A 284 3.979 -3.815 -0.260 1.00 0.00 C ATOM 654 OG SER A 284 5.232 -4.429 -0.014 1.00 0.00 O ATOM 0 H SER A 284 1.646 -3.239 -1.751 1.00 0.00 H new ATOM 0 HA SER A 284 4.549 -3.379 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 284 3.979 -2.805 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 284 3.193 -4.367 0.255 1.00 0.00 H new ATOM 0 HG SER A 284 5.403 -4.448 0.951 1.00 0.00 H new ATOM 660 N PRO A 285 4.380 -5.790 -2.913 1.00 0.00 N ATOM 661 CA PRO A 285 4.249 -7.141 -3.467 1.00 0.00 C ATOM 662 C PRO A 285 4.149 -8.205 -2.380 1.00 0.00 C ATOM 663 O PRO A 285 3.879 -9.372 -2.664 1.00 0.00 O ATOM 664 CB PRO A 285 5.538 -7.319 -4.273 1.00 0.00 C ATOM 665 CG PRO A 285 6.517 -6.398 -3.631 1.00 0.00 C ATOM 666 CD PRO A 285 5.719 -5.222 -3.141 1.00 0.00 C ATOM 0 HA PRO A 285 3.341 -7.253 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 285 5.886 -8.352 -4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 285 5.387 -7.067 -5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 285 7.033 -6.890 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 285 7.280 -6.083 -4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 285 6.139 -4.804 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 285 5.695 -4.418 -3.877 1.00 0.00 H new ATOM 674 N MET A 286 4.368 -7.796 -1.134 1.00 0.00 N ATOM 675 CA MET A 286 4.300 -8.716 -0.005 1.00 0.00 C ATOM 676 C MET A 286 2.878 -8.805 0.539 1.00 0.00 C ATOM 677 O MET A 286 2.567 -9.680 1.346 1.00 0.00 O ATOM 678 CB MET A 286 5.255 -8.268 1.103 1.00 0.00 C ATOM 679 CG MET A 286 6.700 -8.675 0.862 1.00 0.00 C ATOM 680 SD MET A 286 7.053 -10.349 1.430 1.00 0.00 S ATOM 681 CE MET A 286 7.772 -11.063 -0.047 1.00 0.00 C ATOM 0 H MET A 286 4.594 -6.834 -0.881 1.00 0.00 H new ATOM 0 HA MET A 286 4.599 -9.704 -0.355 1.00 0.00 H new ATOM 0 HB2 MET A 286 5.203 -7.184 1.200 1.00 0.00 H new ATOM 0 HB3 MET A 286 4.921 -8.689 2.051 1.00 0.00 H new ATOM 0 HG2 MET A 286 6.921 -8.602 -0.203 1.00 0.00 H new ATOM 0 HG3 MET A 286 7.361 -7.975 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 286 8.044 -12.101 0.146 1.00 0.00 H new ATOM 0 HE2 MET A 286 7.048 -11.022 -0.860 1.00 0.00 H new ATOM 0 HE3 MET A 286 8.663 -10.501 -0.326 1.00 0.00 H new ATOM 691 N GLU A 287 2.019 -7.894 0.091 1.00 0.00 N ATOM 692 CA GLU A 287 0.631 -7.871 0.535 1.00 0.00 C ATOM 693 C GLU A 287 -0.321 -7.809 -0.657 1.00 0.00 C ATOM 694 O GLU A 287 -1.439 -7.309 -0.545 1.00 0.00 O ATOM 695 CB GLU A 287 0.387 -6.675 1.459 1.00 0.00 C ATOM 696 CG GLU A 287 1.315 -5.502 1.193 1.00 0.00 C ATOM 697 CD GLU A 287 1.086 -4.348 2.150 1.00 0.00 C ATOM 698 OE1 GLU A 287 0.917 -4.608 3.360 1.00 0.00 O ATOM 699 OE2 GLU A 287 1.076 -3.188 1.690 1.00 0.00 O ATOM 0 H GLU A 287 2.260 -7.163 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 287 0.437 -8.792 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 287 -0.645 -6.344 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 287 0.507 -6.995 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 287 2.349 -5.836 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 287 1.171 -5.155 0.170 1.00 0.00 H new ATOM 706 N GLN A 288 0.134 -8.320 -1.796 1.00 0.00 N ATOM 707 CA GLN A 288 -0.676 -8.321 -3.009 1.00 0.00 C ATOM 708 C GLN A 288 -1.591 -9.540 -3.050 1.00 0.00 C ATOM 709 O GLN A 288 -1.258 -10.561 -3.653 1.00 0.00 O ATOM 710 CB GLN A 288 0.223 -8.301 -4.247 1.00 0.00 C ATOM 711 CG GLN A 288 0.619 -6.901 -4.688 1.00 0.00 C ATOM 712 CD GLN A 288 0.927 -6.822 -6.170 1.00 0.00 C ATOM 713 OE1 GLN A 288 0.102 -6.366 -6.964 1.00 0.00 O ATOM 714 NE2 GLN A 288 2.118 -7.265 -6.553 1.00 0.00 N ATOM 0 H GLN A 288 1.058 -8.738 -1.905 1.00 0.00 H new ATOM 0 HA GLN A 288 -1.296 -7.424 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 288 1.125 -8.877 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 288 -0.292 -8.800 -5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 288 -0.188 -6.208 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 288 1.493 -6.579 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 288 2.771 -7.635 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 288 2.380 -7.236 -7.538 1.00 0.00 H new ATOM 723 N THR A 289 -2.749 -9.427 -2.406 1.00 0.00 N ATOM 724 CA THR A 289 -3.712 -10.520 -2.367 1.00 0.00 C ATOM 725 C THR A 289 -4.834 -10.299 -3.376 1.00 0.00 C ATOM 726 O THR A 289 -5.577 -9.321 -3.288 1.00 0.00 O ATOM 727 CB THR A 289 -4.324 -10.680 -0.963 1.00 0.00 C ATOM 728 OG1 THR A 289 -4.758 -9.408 -0.469 1.00 0.00 O ATOM 729 CG2 THR A 289 -3.315 -11.287 0.000 1.00 0.00 C ATOM 0 H THR A 289 -3.042 -8.589 -1.904 1.00 0.00 H new ATOM 0 HA THR A 289 -3.169 -11.430 -2.624 1.00 0.00 H new ATOM 0 HB THR A 289 -5.180 -11.350 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 289 -5.169 -8.897 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.769 -11.391 0.985 1.00 0.00 H new ATOM 0 HG22 THR A 289 -3.009 -12.268 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 289 -2.442 -10.638 0.069 1.00 0.00 H new ATOM 737 N SER A 290 -4.952 -11.214 -4.332 1.00 0.00 N ATOM 738 CA SER A 290 -5.983 -11.117 -5.360 1.00 0.00 C ATOM 739 C SER A 290 -5.799 -9.854 -6.196 1.00 0.00 C ATOM 740 O SER A 290 -6.751 -9.338 -6.782 1.00 0.00 O ATOM 741 CB SER A 290 -7.373 -11.120 -4.720 1.00 0.00 C ATOM 742 OG SER A 290 -7.546 -12.250 -3.883 1.00 0.00 O ATOM 0 H SER A 290 -4.347 -12.031 -4.417 1.00 0.00 H new ATOM 0 HA SER A 290 -5.890 -11.983 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 290 -7.511 -10.208 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 290 -8.136 -11.120 -5.499 1.00 0.00 H new ATOM 0 HG SER A 290 -8.441 -12.228 -3.485 1.00 0.00 H new ATOM 748 N THR A 291 -4.565 -9.361 -6.248 1.00 0.00 N ATOM 749 CA THR A 291 -4.255 -8.159 -7.011 1.00 0.00 C ATOM 750 C THR A 291 -3.955 -8.494 -8.468 1.00 0.00 C ATOM 751 O THR A 291 -4.558 -7.930 -9.381 1.00 0.00 O ATOM 752 CB THR A 291 -3.051 -7.408 -6.411 1.00 0.00 C ATOM 753 OG1 THR A 291 -1.855 -8.175 -6.593 1.00 0.00 O ATOM 754 CG2 THR A 291 -3.266 -7.137 -4.930 1.00 0.00 C ATOM 0 H THR A 291 -3.765 -9.776 -5.771 1.00 0.00 H new ATOM 0 HA THR A 291 -5.135 -7.518 -6.962 1.00 0.00 H new ATOM 0 HB THR A 291 -2.952 -6.453 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 291 -1.184 -7.630 -7.056 1.00 0.00 H new ATOM 0 HG21 THR A 291 -2.403 -6.606 -4.528 1.00 0.00 H new ATOM 0 HG22 THR A 291 -4.161 -6.528 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 291 -3.389 -8.082 -4.401 1.00 0.00 H new ATOM 762 N SER A 292 -3.021 -9.416 -8.678 1.00 0.00 N ATOM 763 CA SER A 292 -2.640 -9.825 -10.025 1.00 0.00 C ATOM 764 C SER A 292 -3.858 -9.879 -10.941 1.00 0.00 C ATOM 765 O SER A 292 -3.758 -9.616 -12.139 1.00 0.00 O ATOM 766 CB SER A 292 -1.952 -11.191 -9.991 1.00 0.00 C ATOM 767 OG SER A 292 -0.764 -11.144 -9.219 1.00 0.00 O ATOM 0 H SER A 292 -2.514 -9.894 -7.933 1.00 0.00 H new ATOM 0 HA SER A 292 -1.943 -9.085 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 292 -2.632 -11.934 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 292 -1.717 -11.509 -11.007 1.00 0.00 H new ATOM 0 HG SER A 292 -0.344 -12.029 -9.211 1.00 0.00 H new ATOM 773 N GLU A 293 -5.007 -10.221 -10.368 1.00 0.00 N ATOM 774 CA GLU A 293 -6.245 -10.311 -11.134 1.00 0.00 C ATOM 775 C GLU A 293 -6.672 -8.937 -11.641 1.00 0.00 C ATOM 776 O GLU A 293 -7.016 -8.774 -12.811 1.00 0.00 O ATOM 777 CB GLU A 293 -7.358 -10.919 -10.277 1.00 0.00 C ATOM 778 CG GLU A 293 -8.404 -11.671 -11.083 1.00 0.00 C ATOM 779 CD GLU A 293 -7.841 -12.900 -11.768 1.00 0.00 C ATOM 780 OE1 GLU A 293 -7.617 -13.915 -11.075 1.00 0.00 O ATOM 781 OE2 GLU A 293 -7.623 -12.848 -12.996 1.00 0.00 O ATOM 0 H GLU A 293 -5.107 -10.440 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 293 -6.064 -10.956 -11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 293 -6.915 -11.598 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 293 -7.847 -10.124 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 293 -9.220 -11.969 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 293 -8.828 -11.004 -11.833 1.00 0.00 H new ATOM 788 N GLY A 294 -6.647 -7.949 -10.750 1.00 0.00 N ATOM 789 CA GLY A 294 -7.034 -6.602 -11.125 1.00 0.00 C ATOM 790 C GLY A 294 -6.958 -5.632 -9.963 1.00 0.00 C ATOM 791 O GLY A 294 -6.732 -4.438 -10.156 1.00 0.00 O ATOM 0 H GLY A 294 -6.366 -8.058 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 294 -6.387 -6.252 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 294 -8.051 -6.615 -11.517 1.00 0.00 H new ATOM 795 N TRP A 295 -7.148 -6.146 -8.753 1.00 0.00 N ATOM 796 CA TRP A 295 -7.102 -5.316 -7.555 1.00 0.00 C ATOM 797 C TRP A 295 -5.661 -5.046 -7.135 1.00 0.00 C ATOM 798 O TRP A 295 -4.720 -5.504 -7.784 1.00 0.00 O ATOM 799 CB TRP A 295 -7.860 -5.991 -6.411 1.00 0.00 C ATOM 800 CG TRP A 295 -9.294 -6.279 -6.739 1.00 0.00 C ATOM 801 CD1 TRP A 295 -9.770 -7.304 -7.505 1.00 0.00 C ATOM 802 CD2 TRP A 295 -10.438 -5.532 -6.311 1.00 0.00 C ATOM 803 NE1 TRP A 295 -11.141 -7.239 -7.580 1.00 0.00 N ATOM 804 CE2 TRP A 295 -11.575 -6.161 -6.855 1.00 0.00 C ATOM 805 CE3 TRP A 295 -10.613 -4.393 -5.519 1.00 0.00 C ATOM 806 CZ2 TRP A 295 -12.865 -5.688 -6.632 1.00 0.00 C ATOM 807 CZ3 TRP A 295 -11.894 -3.925 -5.300 1.00 0.00 C ATOM 808 CH2 TRP A 295 -13.007 -4.572 -5.854 1.00 0.00 C ATOM 0 H TRP A 295 -7.335 -7.133 -8.576 1.00 0.00 H new ATOM 0 HA TRP A 295 -7.579 -4.364 -7.786 1.00 0.00 H new ATOM 0 HB2 TRP A 295 -7.359 -6.924 -6.153 1.00 0.00 H new ATOM 0 HB3 TRP A 295 -7.817 -5.352 -5.529 1.00 0.00 H new ATOM 0 HD1 TRP A 295 -9.159 -8.056 -7.982 1.00 0.00 H new ATOM 0 HE1 TRP A 295 -11.738 -7.888 -8.092 1.00 0.00 H new ATOM 0 HE3 TRP A 295 -9.762 -3.888 -5.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 295 -13.724 -6.185 -7.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 295 -12.040 -3.045 -4.691 1.00 0.00 H new ATOM 0 HH2 TRP A 295 -13.996 -4.182 -5.663 1.00 0.00 H new ATOM 819 N ILE A 296 -5.495 -4.300 -6.048 1.00 0.00 N ATOM 820 CA ILE A 296 -4.169 -3.971 -5.543 1.00 0.00 C ATOM 821 C ILE A 296 -4.223 -3.576 -4.071 1.00 0.00 C ATOM 822 O ILE A 296 -4.969 -2.674 -3.686 1.00 0.00 O ATOM 823 CB ILE A 296 -3.528 -2.824 -6.347 1.00 0.00 C ATOM 824 CG1 ILE A 296 -4.586 -1.786 -6.728 1.00 0.00 C ATOM 825 CG2 ILE A 296 -2.840 -3.368 -7.590 1.00 0.00 C ATOM 826 CD1 ILE A 296 -4.045 -0.377 -6.820 1.00 0.00 C ATOM 0 H ILE A 296 -6.263 -3.912 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 296 -3.559 -4.867 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 296 -2.777 -2.338 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 296 -5.024 -2.061 -7.687 1.00 0.00 H new ATOM 0 HG13 ILE A 296 -5.389 -1.811 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 296 -2.392 -2.545 -8.147 1.00 0.00 H new ATOM 0 HG22 ILE A 296 -2.062 -4.073 -7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 296 -3.572 -3.876 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 296 -4.850 0.305 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 296 -3.632 -0.082 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 296 -3.262 -0.337 -7.577 1.00 0.00 H new ATOM 838 N TYR A 297 -3.428 -4.255 -3.252 1.00 0.00 N ATOM 839 CA TYR A 297 -3.386 -3.976 -1.822 1.00 0.00 C ATOM 840 C TYR A 297 -2.516 -2.757 -1.530 1.00 0.00 C ATOM 841 O TYR A 297 -1.304 -2.779 -1.743 1.00 0.00 O ATOM 842 CB TYR A 297 -2.854 -5.191 -1.059 1.00 0.00 C ATOM 843 CG TYR A 297 -3.183 -5.171 0.417 1.00 0.00 C ATOM 844 CD1 TYR A 297 -2.332 -4.560 1.330 1.00 0.00 C ATOM 845 CD2 TYR A 297 -4.344 -5.764 0.898 1.00 0.00 C ATOM 846 CE1 TYR A 297 -2.628 -4.540 2.679 1.00 0.00 C ATOM 847 CE2 TYR A 297 -4.648 -5.747 2.245 1.00 0.00 C ATOM 848 CZ TYR A 297 -3.788 -5.134 3.132 1.00 0.00 C ATOM 849 OH TYR A 297 -4.087 -5.117 4.475 1.00 0.00 O ATOM 0 H TYR A 297 -2.804 -5.003 -3.554 1.00 0.00 H new ATOM 0 HA TYR A 297 -4.402 -3.763 -1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 297 -3.267 -6.097 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 297 -1.772 -5.241 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 297 -1.424 -4.093 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 297 -5.020 -6.246 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 297 -1.955 -4.062 3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 297 -5.555 -6.212 2.602 1.00 0.00 H new ATOM 0 HH TYR A 297 -4.939 -5.577 4.626 1.00 0.00 H new ATOM 859 N GLY A 298 -3.144 -1.693 -1.038 1.00 0.00 N ATOM 860 CA GLY A 298 -2.413 -0.480 -0.724 1.00 0.00 C ATOM 861 C GLY A 298 -2.809 0.104 0.618 1.00 0.00 C ATOM 862 O GLY A 298 -3.855 -0.238 1.169 1.00 0.00 O ATOM 0 H GLY A 298 -4.146 -1.650 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 298 -1.344 -0.694 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 298 -2.589 0.260 -1.505 1.00 0.00 H new ATOM 866 N THR A 299 -1.969 0.989 1.147 1.00 0.00 N ATOM 867 CA THR A 299 -2.235 1.620 2.434 1.00 0.00 C ATOM 868 C THR A 299 -2.474 3.117 2.273 1.00 0.00 C ATOM 869 O THR A 299 -1.716 3.807 1.591 1.00 0.00 O ATOM 870 CB THR A 299 -1.071 1.400 3.418 1.00 0.00 C ATOM 871 OG1 THR A 299 -1.043 0.034 3.847 1.00 0.00 O ATOM 872 CG2 THR A 299 -1.205 2.314 4.627 1.00 0.00 C ATOM 0 H THR A 299 -1.099 1.285 0.704 1.00 0.00 H new ATOM 0 HA THR A 299 -3.134 1.153 2.836 1.00 0.00 H new ATOM 0 HB THR A 299 -0.140 1.638 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 299 -1.428 -0.035 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 299 -0.372 2.141 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 299 -1.196 3.354 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 299 -2.143 2.103 5.140 1.00 0.00 H new ATOM 880 N SER A 300 -3.533 3.613 2.906 1.00 0.00 N ATOM 881 CA SER A 300 -3.874 5.029 2.830 1.00 0.00 C ATOM 882 C SER A 300 -2.830 5.878 3.550 1.00 0.00 C ATOM 883 O SER A 300 -2.225 5.441 4.530 1.00 0.00 O ATOM 884 CB SER A 300 -5.255 5.276 3.439 1.00 0.00 C ATOM 885 OG SER A 300 -5.543 6.662 3.506 1.00 0.00 O ATOM 0 H SER A 300 -4.169 3.056 3.477 1.00 0.00 H new ATOM 0 HA SER A 300 -3.891 5.317 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 300 -6.015 4.772 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 300 -5.297 4.844 4.439 1.00 0.00 H new ATOM 0 HG SER A 300 -5.225 7.102 2.690 1.00 0.00 H new ATOM 891 N LEU A 301 -2.623 7.094 3.056 1.00 0.00 N ATOM 892 CA LEU A 301 -1.653 8.007 3.650 1.00 0.00 C ATOM 893 C LEU A 301 -2.335 8.979 4.607 1.00 0.00 C ATOM 894 O LEU A 301 -1.741 9.417 5.593 1.00 0.00 O ATOM 895 CB LEU A 301 -0.916 8.782 2.557 1.00 0.00 C ATOM 896 CG LEU A 301 0.426 9.395 2.957 1.00 0.00 C ATOM 897 CD1 LEU A 301 1.507 8.327 3.011 1.00 0.00 C ATOM 898 CD2 LEU A 301 0.816 10.503 1.989 1.00 0.00 C ATOM 0 H LEU A 301 -3.114 7.470 2.245 1.00 0.00 H new ATOM 0 HA LEU A 301 -0.933 7.415 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -0.749 8.112 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -1.567 9.582 2.205 1.00 0.00 H new ATOM 0 HG LEU A 301 0.323 9.828 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 301 2.455 8.783 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 301 1.233 7.569 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 301 1.609 7.863 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 301 1.774 10.928 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 301 0.900 10.094 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 301 0.054 11.282 2.001 1.00 0.00 H new ATOM 910 N THR A 302 -3.588 9.312 4.312 1.00 0.00 N ATOM 911 CA THR A 302 -4.351 10.231 5.146 1.00 0.00 C ATOM 912 C THR A 302 -4.872 9.534 6.398 1.00 0.00 C ATOM 913 O THR A 302 -4.720 10.039 7.511 1.00 0.00 O ATOM 914 CB THR A 302 -5.541 10.833 4.375 1.00 0.00 C ATOM 915 OG1 THR A 302 -5.081 11.856 3.485 1.00 0.00 O ATOM 916 CG2 THR A 302 -6.570 11.413 5.334 1.00 0.00 C ATOM 0 H THR A 302 -4.096 8.958 3.501 1.00 0.00 H new ATOM 0 HA THR A 302 -3.672 11.033 5.436 1.00 0.00 H new ATOM 0 HB THR A 302 -6.013 10.036 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 302 -5.843 12.232 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 302 -7.401 11.832 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 302 -6.940 10.626 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 302 -6.108 12.197 5.933 1.00 0.00 H new ATOM 924 N THR A 303 -5.486 8.371 6.210 1.00 0.00 N ATOM 925 CA THR A 303 -6.030 7.604 7.324 1.00 0.00 C ATOM 926 C THR A 303 -5.005 6.611 7.860 1.00 0.00 C ATOM 927 O THR A 303 -4.857 6.450 9.070 1.00 0.00 O ATOM 928 CB THR A 303 -7.303 6.840 6.912 1.00 0.00 C ATOM 929 OG1 THR A 303 -7.005 5.931 5.847 1.00 0.00 O ATOM 930 CG2 THR A 303 -8.394 7.805 6.473 1.00 0.00 C ATOM 0 H THR A 303 -5.619 7.939 5.296 1.00 0.00 H new ATOM 0 HA THR A 303 -6.283 8.319 8.107 1.00 0.00 H new ATOM 0 HB THR A 303 -7.661 6.281 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 303 -6.627 6.426 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 303 -9.283 7.243 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 303 -8.638 8.477 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 303 -8.043 8.388 5.621 1.00 0.00 H new ATOM 938 N GLY A 304 -4.300 5.947 6.949 1.00 0.00 N ATOM 939 CA GLY A 304 -3.297 4.977 7.351 1.00 0.00 C ATOM 940 C GLY A 304 -3.814 3.553 7.298 1.00 0.00 C ATOM 941 O GLY A 304 -3.116 2.617 7.691 1.00 0.00 O ATOM 0 H GLY A 304 -4.405 6.063 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -2.426 5.069 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -2.964 5.202 8.364 1.00 0.00 H new ATOM 945 N CYS A 305 -5.039 3.388 6.812 1.00 0.00 N ATOM 946 CA CYS A 305 -5.650 2.067 6.712 1.00 0.00 C ATOM 947 C CYS A 305 -5.026 1.265 5.574 1.00 0.00 C ATOM 948 O CYS A 305 -4.281 1.804 4.757 1.00 0.00 O ATOM 949 CB CYS A 305 -7.158 2.195 6.494 1.00 0.00 C ATOM 950 SG CYS A 305 -8.052 2.884 7.907 1.00 0.00 S ATOM 0 H CYS A 305 -5.629 4.152 6.481 1.00 0.00 H new ATOM 0 HA CYS A 305 -5.469 1.538 7.648 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -7.336 2.825 5.623 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -7.566 1.211 6.264 1.00 0.00 H new ATOM 0 HG CYS A 305 -9.319 2.955 7.626 1.00 0.00 H new ATOM 956 N SER A 306 -5.335 -0.027 5.529 1.00 0.00 N ATOM 957 CA SER A 306 -4.801 -0.906 4.495 1.00 0.00 C ATOM 958 C SER A 306 -5.875 -1.861 3.986 1.00 0.00 C ATOM 959 O SER A 306 -6.669 -2.392 4.762 1.00 0.00 O ATOM 960 CB SER A 306 -3.611 -1.700 5.037 1.00 0.00 C ATOM 961 OG SER A 306 -2.688 -0.850 5.696 1.00 0.00 O ATOM 0 H SER A 306 -5.953 -0.488 6.197 1.00 0.00 H new ATOM 0 HA SER A 306 -4.467 -0.287 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 306 -3.965 -2.464 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 306 -3.112 -2.218 4.218 1.00 0.00 H new ATOM 0 HG SER A 306 -1.937 -1.382 6.034 1.00 0.00 H new ATOM 967 N GLY A 307 -5.893 -2.076 2.674 1.00 0.00 N ATOM 968 CA GLY A 307 -6.873 -2.967 2.081 1.00 0.00 C ATOM 969 C GLY A 307 -6.729 -3.069 0.576 1.00 0.00 C ATOM 970 O GLY A 307 -5.815 -2.486 -0.009 1.00 0.00 O ATOM 0 H GLY A 307 -5.246 -1.649 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 307 -6.770 -3.959 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 307 -7.875 -2.613 2.324 1.00 0.00 H new ATOM 974 N LEU A 308 -7.632 -3.813 -0.054 1.00 0.00 N ATOM 975 CA LEU A 308 -7.601 -3.991 -1.502 1.00 0.00 C ATOM 976 C LEU A 308 -8.384 -2.886 -2.203 1.00 0.00 C ATOM 977 O LEU A 308 -9.368 -2.372 -1.670 1.00 0.00 O ATOM 978 CB LEU A 308 -8.175 -5.357 -1.880 1.00 0.00 C ATOM 979 CG LEU A 308 -7.176 -6.513 -1.936 1.00 0.00 C ATOM 980 CD1 LEU A 308 -7.905 -7.848 -1.970 1.00 0.00 C ATOM 981 CD2 LEU A 308 -6.263 -6.371 -3.145 1.00 0.00 C ATOM 0 H LEU A 308 -8.394 -4.302 0.415 1.00 0.00 H new ATOM 0 HA LEU A 308 -6.562 -3.938 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -8.955 -5.612 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -8.654 -5.270 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 308 -6.562 -6.481 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -7.178 -8.659 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -8.516 -7.952 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -8.545 -7.891 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -5.559 -7.202 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 308 -6.862 -6.377 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 308 -5.714 -5.432 -3.078 1.00 0.00 H new ATOM 993 N LEU A 309 -7.942 -2.526 -3.403 1.00 0.00 N ATOM 994 CA LEU A 309 -8.603 -1.483 -4.180 1.00 0.00 C ATOM 995 C LEU A 309 -8.432 -1.727 -5.676 1.00 0.00 C ATOM 996 O LEU A 309 -7.490 -2.385 -6.119 1.00 0.00 O ATOM 997 CB LEU A 309 -8.041 -0.109 -3.809 1.00 0.00 C ATOM 998 CG LEU A 309 -6.531 -0.043 -3.576 1.00 0.00 C ATOM 999 CD1 LEU A 309 -6.031 1.386 -3.723 1.00 0.00 C ATOM 1000 CD2 LEU A 309 -6.179 -0.594 -2.202 1.00 0.00 C ATOM 0 H LEU A 309 -7.129 -2.941 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 309 -9.667 -1.509 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 309 -8.297 0.593 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -8.544 0.235 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 309 -6.039 -0.658 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 309 -4.955 1.414 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 309 -6.250 1.746 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -6.530 2.023 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 309 -5.101 -0.539 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -6.681 -0.005 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 309 -6.503 -1.633 -2.133 1.00 0.00 H new ATOM 1012 N PRO A 310 -9.363 -1.184 -6.475 1.00 0.00 N ATOM 1013 CA PRO A 310 -9.336 -1.328 -7.934 1.00 0.00 C ATOM 1014 C PRO A 310 -8.192 -0.547 -8.572 1.00 0.00 C ATOM 1015 O PRO A 310 -8.056 0.657 -8.358 1.00 0.00 O ATOM 1016 CB PRO A 310 -10.685 -0.753 -8.372 1.00 0.00 C ATOM 1017 CG PRO A 310 -11.063 0.196 -7.288 1.00 0.00 C ATOM 1018 CD PRO A 310 -10.513 -0.388 -6.016 1.00 0.00 C ATOM 0 HA PRO A 310 -9.179 -2.363 -8.239 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -10.605 -0.245 -9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -11.431 -1.539 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -10.648 1.186 -7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -12.145 0.310 -7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -10.209 0.390 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -11.251 -1.006 -5.506 1.00 0.00 H new ATOM 1026 N GLU A 311 -7.373 -1.240 -9.356 1.00 0.00 N ATOM 1027 CA GLU A 311 -6.241 -0.610 -10.025 1.00 0.00 C ATOM 1028 C GLU A 311 -6.713 0.477 -10.986 1.00 0.00 C ATOM 1029 O GLU A 311 -5.908 1.233 -11.528 1.00 0.00 O ATOM 1030 CB GLU A 311 -5.421 -1.656 -10.783 1.00 0.00 C ATOM 1031 CG GLU A 311 -6.030 -2.058 -12.116 1.00 0.00 C ATOM 1032 CD GLU A 311 -5.043 -2.774 -13.016 1.00 0.00 C ATOM 1033 OE1 GLU A 311 -4.360 -3.699 -12.531 1.00 0.00 O ATOM 1034 OE2 GLU A 311 -4.954 -2.408 -14.207 1.00 0.00 O ATOM 0 H GLU A 311 -7.472 -2.238 -9.544 1.00 0.00 H new ATOM 0 HA GLU A 311 -5.612 -0.149 -9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 311 -4.418 -1.265 -10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 311 -5.314 -2.544 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 311 -6.889 -2.705 -11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 311 -6.401 -1.168 -12.625 1.00 0.00 H new ATOM 1041 N ASN A 312 -8.024 0.547 -11.193 1.00 0.00 N ATOM 1042 CA ASN A 312 -8.605 1.540 -12.089 1.00 0.00 C ATOM 1043 C ASN A 312 -9.084 2.762 -11.311 1.00 0.00 C ATOM 1044 O ASN A 312 -9.940 3.513 -11.780 1.00 0.00 O ATOM 1045 CB ASN A 312 -9.769 0.932 -12.873 1.00 0.00 C ATOM 1046 CG ASN A 312 -10.442 1.939 -13.785 1.00 0.00 C ATOM 1047 OD1 ASN A 312 -11.515 2.456 -13.473 1.00 0.00 O ATOM 1048 ND2 ASN A 312 -9.812 2.223 -14.919 1.00 0.00 N ATOM 0 H ASN A 312 -8.704 -0.072 -10.752 1.00 0.00 H new ATOM 0 HA ASN A 312 -7.832 1.857 -12.788 1.00 0.00 H new ATOM 0 HB2 ASN A 312 -9.404 0.094 -13.468 1.00 0.00 H new ATOM 0 HB3 ASN A 312 -10.504 0.531 -12.175 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -10.216 2.894 -15.573 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -8.924 1.770 -15.136 1.00 0.00 H new ATOM 1055 N TYR A 313 -8.528 2.954 -10.120 1.00 0.00 N ATOM 1056 CA TYR A 313 -8.899 4.083 -9.276 1.00 0.00 C ATOM 1057 C TYR A 313 -7.661 4.822 -8.779 1.00 0.00 C ATOM 1058 O TYR A 313 -7.766 5.844 -8.099 1.00 0.00 O ATOM 1059 CB TYR A 313 -9.733 3.604 -8.086 1.00 0.00 C ATOM 1060 CG TYR A 313 -11.169 3.291 -8.439 1.00 0.00 C ATOM 1061 CD1 TYR A 313 -11.478 2.291 -9.353 1.00 0.00 C ATOM 1062 CD2 TYR A 313 -12.217 3.996 -7.861 1.00 0.00 C ATOM 1063 CE1 TYR A 313 -12.789 2.002 -9.680 1.00 0.00 C ATOM 1064 CE2 TYR A 313 -13.531 3.712 -8.180 1.00 0.00 C ATOM 1065 CZ TYR A 313 -13.812 2.715 -9.090 1.00 0.00 C ATOM 1066 OH TYR A 313 -15.119 2.431 -9.413 1.00 0.00 O ATOM 0 H TYR A 313 -7.818 2.342 -9.717 1.00 0.00 H new ATOM 0 HA TYR A 313 -9.494 4.772 -9.875 1.00 0.00 H new ATOM 0 HB2 TYR A 313 -9.269 2.713 -7.664 1.00 0.00 H new ATOM 0 HB3 TYR A 313 -9.717 4.370 -7.310 1.00 0.00 H new ATOM 0 HD1 TYR A 313 -10.680 1.730 -9.816 1.00 0.00 H new ATOM 0 HD2 TYR A 313 -12.001 4.780 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 313 -13.012 1.222 -10.393 1.00 0.00 H new ATOM 0 HE2 TYR A 313 -14.334 4.268 -7.719 1.00 0.00 H new ATOM 0 HH TYR A 313 -15.716 3.022 -8.909 1.00 0.00 H new ATOM 1076 N ILE A 314 -6.490 4.299 -9.123 1.00 0.00 N ATOM 1077 CA ILE A 314 -5.231 4.910 -8.714 1.00 0.00 C ATOM 1078 C ILE A 314 -4.294 5.088 -9.904 1.00 0.00 C ATOM 1079 O ILE A 314 -4.596 4.655 -11.017 1.00 0.00 O ATOM 1080 CB ILE A 314 -4.520 4.068 -7.638 1.00 0.00 C ATOM 1081 CG1 ILE A 314 -4.390 2.615 -8.099 1.00 0.00 C ATOM 1082 CG2 ILE A 314 -5.277 4.145 -6.320 1.00 0.00 C ATOM 1083 CD1 ILE A 314 -3.150 2.353 -8.926 1.00 0.00 C ATOM 0 H ILE A 314 -6.386 3.453 -9.684 1.00 0.00 H new ATOM 0 HA ILE A 314 -5.476 5.887 -8.297 1.00 0.00 H new ATOM 0 HB ILE A 314 -3.519 4.472 -7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 314 -4.378 1.964 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 314 -5.270 2.347 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 314 -4.763 3.545 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 314 -5.323 5.182 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 314 -6.289 3.763 -6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 314 -3.123 1.303 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 314 -3.169 2.978 -9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 314 -2.263 2.589 -8.337 1.00 0.00 H new ATOM 1095 N THR A 315 -3.154 5.727 -9.662 1.00 0.00 N ATOM 1096 CA THR A 315 -2.172 5.962 -10.713 1.00 0.00 C ATOM 1097 C THR A 315 -0.772 6.124 -10.132 1.00 0.00 C ATOM 1098 O THR A 315 -0.611 6.431 -8.950 1.00 0.00 O ATOM 1099 CB THR A 315 -2.520 7.216 -11.538 1.00 0.00 C ATOM 1100 OG1 THR A 315 -1.687 7.285 -12.700 1.00 0.00 O ATOM 1101 CG2 THR A 315 -2.345 8.477 -10.706 1.00 0.00 C ATOM 0 H THR A 315 -2.888 6.091 -8.747 1.00 0.00 H new ATOM 0 HA THR A 315 -2.194 5.089 -11.365 1.00 0.00 H new ATOM 0 HB THR A 315 -3.564 7.144 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 315 -1.916 8.084 -13.220 1.00 0.00 H new ATOM 0 HG21 THR A 315 -2.596 9.349 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 315 -3.003 8.435 -9.838 1.00 0.00 H new ATOM 0 HG23 THR A 315 -1.310 8.552 -10.373 1.00 0.00 H new ATOM 1109 N LYS A 316 0.239 5.916 -10.968 1.00 0.00 N ATOM 1110 CA LYS A 316 1.627 6.041 -10.538 1.00 0.00 C ATOM 1111 C LYS A 316 1.869 7.389 -9.867 1.00 0.00 C ATOM 1112 O LYS A 316 1.154 8.357 -10.122 1.00 0.00 O ATOM 1113 CB LYS A 316 2.569 5.877 -11.733 1.00 0.00 C ATOM 1114 CG LYS A 316 2.999 4.440 -11.976 1.00 0.00 C ATOM 1115 CD LYS A 316 4.277 4.106 -11.225 1.00 0.00 C ATOM 1116 CE LYS A 316 3.982 3.563 -9.835 1.00 0.00 C ATOM 1117 NZ LYS A 316 5.221 3.126 -9.136 1.00 0.00 N ATOM 0 H LYS A 316 0.123 5.660 -11.948 1.00 0.00 H new ATOM 0 HA LYS A 316 1.829 5.253 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 316 2.076 6.256 -12.628 1.00 0.00 H new ATOM 0 HB3 LYS A 316 3.456 6.491 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 316 2.204 3.763 -11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 316 3.151 4.280 -13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 316 4.850 3.371 -11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 316 4.896 4.999 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 316 3.483 4.331 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 316 3.293 2.722 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 5.138 2.122 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 6.039 3.254 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 5.354 3.696 -8.276 1.00 0.00 H new ATOM 1131 N ALA A 317 2.884 7.444 -9.011 1.00 0.00 N ATOM 1132 CA ALA A 317 3.223 8.675 -8.306 1.00 0.00 C ATOM 1133 C ALA A 317 3.916 9.666 -9.235 1.00 0.00 C ATOM 1134 O ALA A 317 5.123 9.582 -9.459 1.00 0.00 O ATOM 1135 CB ALA A 317 4.105 8.369 -7.105 1.00 0.00 C ATOM 0 H ALA A 317 3.486 6.651 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 317 2.297 9.131 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 317 4.350 9.297 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 317 3.574 7.704 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 317 5.023 7.887 -7.441 1.00 0.00 H new