USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 473 LYS NZ :NH3+ 143:sc= 0.837 (180deg=0) USER MOD Set 1.2: A 475 GLN : amide:sc= 0.211 K(o=1,f=-3) USER MOD Set 2.1: A 451 ASN : amide:sc= 2.69 K(o=3.2,f=-7.9!) USER MOD Set 2.2: A 454 SER OG : rot -168:sc= 0.54 USER MOD Set 3.1: A 419 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.37) USER MOD Set 3.2: A 422 MET CE :methyl -153:sc= 0 (180deg=-0.908) USER MOD Set 4.1: A 402 ASN : amide:sc= 1 K(o=1.1,f=-4.3!) USER MOD Set 4.2: A 448 SER OG : rot 108:sc= 0.112 USER MOD Set 5.1: A 393 SER OG : rot -143:sc= 0.866 USER MOD Set 5.2: A 429 SER OG : rot 17:sc= 1.13 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 420 MET CE :methyl 177:sc= 0 (180deg=-0.0306) USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 431 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0121) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 449 TYR OH : rot -154:sc= 0.836 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 460 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.076) USER MOD Single : A 461 SER OG : rot 88:sc= 1.05 USER MOD Single : A 462 MET CE :methyl -161:sc=-0.00826 (180deg=-0.481) USER MOD Single : A 463 ASN : amide:sc= 0.802 K(o=0.8,f=-6.6!) USER MOD Single : A 466 GLN : amide:sc= 0.954 K(o=0.95,f=-6.3!) USER MOD Single : A 477 LYS NZ :NH3+ -138:sc= 1.17 (180deg=0.581) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.262 1.727 -2.367 1.00 0.00 N ATOM 183 CA ALA A 391 -10.010 0.454 -1.694 1.00 0.00 C ATOM 184 C ALA A 391 -10.301 -0.739 -2.626 1.00 0.00 C ATOM 185 O ALA A 391 -11.404 -0.869 -3.163 1.00 0.00 O ATOM 186 CB ALA A 391 -10.872 0.404 -0.425 1.00 0.00 C ATOM 0 HA ALA A 391 -8.957 0.381 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.700 -0.539 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.604 1.233 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.925 0.482 -0.697 1.00 0.00 H new ATOM 192 N GLY A 392 -9.302 -1.606 -2.814 1.00 0.00 N ATOM 193 CA GLY A 392 -9.340 -2.781 -3.694 1.00 0.00 C ATOM 194 C GLY A 392 -8.885 -2.480 -5.124 1.00 0.00 C ATOM 195 O GLY A 392 -8.987 -3.343 -5.994 1.00 0.00 O ATOM 0 H GLY A 392 -8.406 -1.505 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.705 -3.561 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.356 -3.175 -3.719 1.00 0.00 H new ATOM 199 N SER A 393 -8.392 -1.269 -5.380 1.00 0.00 N ATOM 200 CA SER A 393 -7.954 -0.816 -6.704 1.00 0.00 C ATOM 201 C SER A 393 -6.544 -1.315 -7.082 1.00 0.00 C ATOM 202 O SER A 393 -5.755 -1.729 -6.228 1.00 0.00 O ATOM 203 CB SER A 393 -8.002 0.715 -6.733 1.00 0.00 C ATOM 204 OG SER A 393 -7.756 1.215 -8.036 1.00 0.00 O ATOM 0 H SER A 393 -8.283 -0.558 -4.657 1.00 0.00 H new ATOM 0 HA SER A 393 -8.631 -1.241 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 393 -8.978 1.057 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.262 1.117 -6.041 1.00 0.00 H new ATOM 0 HG SER A 393 -7.229 2.039 -7.976 1.00 0.00 H new ATOM 210 N GLN A 394 -6.209 -1.243 -8.374 1.00 0.00 N ATOM 211 CA GLN A 394 -4.869 -1.516 -8.912 1.00 0.00 C ATOM 212 C GLN A 394 -4.343 -0.357 -9.787 1.00 0.00 C ATOM 213 O GLN A 394 -3.293 -0.480 -10.420 1.00 0.00 O ATOM 214 CB GLN A 394 -4.863 -2.872 -9.641 1.00 0.00 C ATOM 215 CG GLN A 394 -5.068 -4.049 -8.673 1.00 0.00 C ATOM 216 CD GLN A 394 -4.963 -5.398 -9.386 1.00 0.00 C ATOM 217 OE1 GLN A 394 -3.884 -5.929 -9.622 1.00 0.00 O ATOM 218 NE2 GLN A 394 -6.070 -6.010 -9.761 1.00 0.00 N ATOM 0 H GLN A 394 -6.881 -0.986 -9.097 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.168 -1.584 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.650 -2.882 -10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.917 -2.996 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.324 -3.999 -7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.046 -3.964 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -6.977 -5.583 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -6.019 -6.910 -10.239 1.00 0.00 H new ATOM 227 N LYS A 395 -5.041 0.787 -9.810 1.00 0.00 N ATOM 228 CA LYS A 395 -4.533 2.037 -10.390 1.00 0.00 C ATOM 229 C LYS A 395 -3.366 2.623 -9.567 1.00 0.00 C ATOM 230 O LYS A 395 -3.133 2.246 -8.416 1.00 0.00 O ATOM 231 CB LYS A 395 -5.677 3.064 -10.497 1.00 0.00 C ATOM 232 CG LYS A 395 -6.365 3.059 -11.867 1.00 0.00 C ATOM 233 CD LYS A 395 -7.231 4.316 -12.060 1.00 0.00 C ATOM 234 CE LYS A 395 -6.418 5.625 -12.150 1.00 0.00 C ATOM 235 NZ LYS A 395 -5.718 5.772 -13.455 1.00 0.00 N ATOM 0 H LYS A 395 -5.981 0.871 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.148 1.811 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.417 2.856 -9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.282 4.061 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -5.613 3.008 -12.654 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -6.986 2.168 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -7.822 4.203 -12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -7.934 4.392 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -7.085 6.474 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -5.685 5.650 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -5.187 6.666 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -5.061 4.977 -13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -6.417 5.776 -14.225 1.00 0.00 H new ATOM 249 N GLU A 396 -2.664 3.596 -10.153 1.00 0.00 N ATOM 250 CA GLU A 396 -1.555 4.310 -9.519 1.00 0.00 C ATOM 251 C GLU A 396 -1.361 5.719 -10.101 1.00 0.00 C ATOM 252 O GLU A 396 -1.933 6.060 -11.143 1.00 0.00 O ATOM 253 CB GLU A 396 -0.273 3.457 -9.582 1.00 0.00 C ATOM 254 CG GLU A 396 0.319 3.329 -10.992 1.00 0.00 C ATOM 255 CD GLU A 396 1.417 2.259 -11.054 1.00 0.00 C ATOM 256 OE1 GLU A 396 2.310 2.229 -10.176 1.00 0.00 O ATOM 257 OE2 GLU A 396 1.417 1.436 -11.998 1.00 0.00 O ATOM 0 H GLU A 396 -2.856 3.916 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.802 4.463 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.476 3.895 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.492 2.460 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.473 3.078 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.730 4.290 -11.302 1.00 0.00 H new ATOM 264 N GLY A 397 -0.579 6.544 -9.399 1.00 0.00 N ATOM 265 CA GLY A 397 -0.325 7.956 -9.701 1.00 0.00 C ATOM 266 C GLY A 397 1.052 8.222 -10.337 1.00 0.00 C ATOM 267 O GLY A 397 1.666 7.296 -10.884 1.00 0.00 O ATOM 0 H GLY A 397 -0.082 6.231 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.101 8.318 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.407 8.534 -8.781 1.00 0.00 H new ATOM 271 N PRO A 398 1.532 9.483 -10.299 1.00 0.00 N ATOM 272 CA PRO A 398 2.765 9.912 -10.961 1.00 0.00 C ATOM 273 C PRO A 398 4.031 9.424 -10.235 1.00 0.00 C ATOM 274 O PRO A 398 3.964 8.784 -9.186 1.00 0.00 O ATOM 275 CB PRO A 398 2.669 11.444 -11.016 1.00 0.00 C ATOM 276 CG PRO A 398 1.855 11.793 -9.773 1.00 0.00 C ATOM 277 CD PRO A 398 0.870 10.628 -9.677 1.00 0.00 C ATOM 0 HA PRO A 398 2.857 9.478 -11.957 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.654 11.909 -10.994 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.176 11.783 -11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.483 11.866 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.342 12.749 -9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.619 10.415 -8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.063 10.864 -10.189 1.00 0.00 H new ATOM 285 N GLU A 399 5.201 9.733 -10.804 1.00 0.00 N ATOM 286 CA GLU A 399 6.509 9.380 -10.240 1.00 0.00 C ATOM 287 C GLU A 399 6.675 9.937 -8.813 1.00 0.00 C ATOM 288 O GLU A 399 6.478 11.130 -8.563 1.00 0.00 O ATOM 289 CB GLU A 399 7.622 9.886 -11.176 1.00 0.00 C ATOM 290 CG GLU A 399 9.041 9.484 -10.746 1.00 0.00 C ATOM 291 CD GLU A 399 9.244 7.962 -10.764 1.00 0.00 C ATOM 292 OE1 GLU A 399 9.586 7.408 -11.835 1.00 0.00 O ATOM 293 OE2 GLU A 399 9.067 7.317 -9.704 1.00 0.00 O ATOM 0 H GLU A 399 5.267 10.244 -11.684 1.00 0.00 H new ATOM 0 HA GLU A 399 6.580 8.295 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.437 9.504 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.566 10.973 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.767 9.953 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 399 9.236 9.863 -9.743 1.00 0.00 H new ATOM 300 N GLY A 400 7.024 9.054 -7.869 1.00 0.00 N ATOM 301 CA GLY A 400 7.207 9.369 -6.445 1.00 0.00 C ATOM 302 C GLY A 400 5.934 9.247 -5.599 1.00 0.00 C ATOM 303 O GLY A 400 6.010 9.365 -4.378 1.00 0.00 O ATOM 0 H GLY A 400 7.192 8.070 -8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.967 8.705 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.591 10.385 -6.357 1.00 0.00 H new ATOM 307 N ALA A 401 4.770 9.022 -6.219 1.00 0.00 N ATOM 308 CA ALA A 401 3.464 9.006 -5.549 1.00 0.00 C ATOM 309 C ALA A 401 2.959 7.602 -5.160 1.00 0.00 C ATOM 310 O ALA A 401 1.891 7.487 -4.556 1.00 0.00 O ATOM 311 CB ALA A 401 2.466 9.725 -6.462 1.00 0.00 C ATOM 0 H ALA A 401 4.708 8.842 -7.221 1.00 0.00 H new ATOM 0 HA ALA A 401 3.571 9.520 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.482 9.731 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.796 10.751 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.408 9.206 -7.419 1.00 0.00 H new ATOM 317 N ASN A 402 3.711 6.547 -5.496 1.00 0.00 N ATOM 318 CA ASN A 402 3.264 5.152 -5.408 1.00 0.00 C ATOM 319 C ASN A 402 4.085 4.381 -4.360 1.00 0.00 C ATOM 320 O ASN A 402 5.316 4.320 -4.441 1.00 0.00 O ATOM 321 CB ASN A 402 3.342 4.515 -6.808 1.00 0.00 C ATOM 322 CG ASN A 402 2.680 5.381 -7.884 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.654 6.015 -7.672 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.272 5.481 -9.058 1.00 0.00 N ATOM 0 H ASN A 402 4.665 6.641 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 402 2.228 5.110 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.387 4.350 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.861 3.537 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.875 6.082 -9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.127 4.957 -9.244 1.00 0.00 H new ATOM 331 N LEU A 403 3.395 3.815 -3.364 1.00 0.00 N ATOM 332 CA LEU A 403 3.953 3.234 -2.141 1.00 0.00 C ATOM 333 C LEU A 403 3.566 1.761 -1.978 1.00 0.00 C ATOM 334 O LEU A 403 2.397 1.403 -2.142 1.00 0.00 O ATOM 335 CB LEU A 403 3.406 3.973 -0.895 1.00 0.00 C ATOM 336 CG LEU A 403 3.412 5.510 -0.889 1.00 0.00 C ATOM 337 CD1 LEU A 403 2.945 6.000 0.485 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.799 6.070 -1.202 1.00 0.00 C ATOM 0 H LEU A 403 2.378 3.747 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 403 5.036 3.330 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.378 3.646 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 403 3.980 3.636 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 403 2.735 5.864 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 403 2.945 7.090 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 403 1.937 5.634 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.621 5.625 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.763 7.159 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.510 5.721 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.115 5.729 -2.188 1.00 0.00 H new ATOM 350 N PHE A 404 4.525 0.941 -1.552 1.00 0.00 N ATOM 351 CA PHE A 404 4.314 -0.426 -1.083 1.00 0.00 C ATOM 352 C PHE A 404 4.532 -0.468 0.434 1.00 0.00 C ATOM 353 O PHE A 404 5.470 0.137 0.961 1.00 0.00 O ATOM 354 CB PHE A 404 5.230 -1.399 -1.830 1.00 0.00 C ATOM 355 CG PHE A 404 4.731 -1.744 -3.219 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.049 -0.923 -4.318 1.00 0.00 C ATOM 357 CD2 PHE A 404 3.909 -2.874 -3.404 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.542 -1.231 -5.593 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.414 -3.186 -4.682 1.00 0.00 C ATOM 360 CZ PHE A 404 3.730 -2.365 -5.777 1.00 0.00 C ATOM 0 H PHE A 404 5.505 1.221 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 404 3.292 -0.741 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.226 -0.963 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.327 -2.316 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.681 -0.058 -4.182 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.659 -3.502 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.777 -0.595 -6.434 1.00 0.00 H new ATOM 0 HE2 PHE A 404 2.791 -4.057 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.350 -2.604 -6.759 1.00 0.00 H new ATOM 370 N ILE A 405 3.624 -1.145 1.136 1.00 0.00 N ATOM 371 CA ILE A 405 3.529 -1.197 2.600 1.00 0.00 C ATOM 372 C ILE A 405 3.707 -2.656 3.030 1.00 0.00 C ATOM 373 O ILE A 405 3.103 -3.549 2.443 1.00 0.00 O ATOM 374 CB ILE A 405 2.166 -0.638 3.092 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.899 0.861 2.810 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.060 -0.797 4.622 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.745 1.302 1.352 1.00 0.00 C ATOM 0 H ILE A 405 2.899 -1.699 0.681 1.00 0.00 H new ATOM 0 HA ILE A 405 4.306 -0.576 3.046 1.00 0.00 H new ATOM 0 HB ILE A 405 1.436 -1.217 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 405 0.991 1.144 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.717 1.434 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.102 -0.404 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.133 -1.853 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.870 -0.247 5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.563 2.376 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.658 1.069 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 405 0.905 0.775 0.899 1.00 0.00 H new ATOM 389 N TYR A 406 4.508 -2.899 4.061 1.00 0.00 N ATOM 390 CA TYR A 406 4.880 -4.239 4.536 1.00 0.00 C ATOM 391 C TYR A 406 4.762 -4.374 6.064 1.00 0.00 C ATOM 392 O TYR A 406 4.772 -3.382 6.796 1.00 0.00 O ATOM 393 CB TYR A 406 6.314 -4.566 4.088 1.00 0.00 C ATOM 394 CG TYR A 406 6.618 -4.371 2.612 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.989 -3.098 2.131 1.00 0.00 C ATOM 396 CD2 TYR A 406 6.571 -5.465 1.727 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.320 -2.920 0.773 1.00 0.00 C ATOM 398 CE2 TYR A 406 6.901 -5.296 0.369 1.00 0.00 C ATOM 399 CZ TYR A 406 7.284 -4.022 -0.110 1.00 0.00 C ATOM 400 OH TYR A 406 7.623 -3.851 -1.419 1.00 0.00 O ATOM 0 H TYR A 406 4.932 -2.151 4.610 1.00 0.00 H new ATOM 0 HA TYR A 406 4.180 -4.949 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.002 -3.947 4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.525 -5.603 4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 406 7.020 -2.256 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 406 6.280 -6.439 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 406 7.601 -1.943 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 406 6.862 -6.138 -0.306 1.00 0.00 H new ATOM 0 HH TYR A 406 7.547 -4.706 -1.891 1.00 0.00 H new ATOM 410 N HIS A 407 4.658 -5.620 6.538 1.00 0.00 N ATOM 411 CA HIS A 407 4.501 -6.028 7.945 1.00 0.00 C ATOM 412 C HIS A 407 3.129 -5.636 8.545 1.00 0.00 C ATOM 413 O HIS A 407 3.017 -5.365 9.742 1.00 0.00 O ATOM 414 CB HIS A 407 5.708 -5.575 8.787 1.00 0.00 C ATOM 415 CG HIS A 407 7.032 -6.018 8.232 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.509 -7.332 8.220 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.955 -5.205 7.644 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.713 -7.272 7.625 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.008 -6.009 7.268 1.00 0.00 N ATOM 0 H HIS A 407 4.682 -6.425 5.912 1.00 0.00 H new ATOM 0 HA HIS A 407 4.496 -7.118 7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.701 -4.488 8.861 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.600 -5.964 9.799 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.876 -4.137 7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.356 -8.123 7.456 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.861 -5.701 6.801 1.00 0.00 H new ATOM 427 N LEU A 408 2.079 -5.589 7.714 1.00 0.00 N ATOM 428 CA LEU A 408 0.702 -5.279 8.132 1.00 0.00 C ATOM 429 C LEU A 408 0.126 -6.380 9.050 1.00 0.00 C ATOM 430 O LEU A 408 0.578 -7.526 8.966 1.00 0.00 O ATOM 431 CB LEU A 408 -0.197 -5.096 6.887 1.00 0.00 C ATOM 432 CG LEU A 408 0.052 -3.795 6.100 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.646 -3.870 4.733 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.476 -2.569 6.862 1.00 0.00 C ATOM 0 H LEU A 408 2.163 -5.768 6.713 1.00 0.00 H new ATOM 0 HA LEU A 408 0.724 -4.351 8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.046 -5.944 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.240 -5.120 7.202 1.00 0.00 H new ATOM 0 HG LEU A 408 1.129 -3.688 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.466 -2.947 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.250 -4.714 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.718 -4.003 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.284 -1.668 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.549 -2.675 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.030 -2.493 7.824 1.00 0.00 H new ATOM 446 N PRO A 409 -0.876 -6.068 9.898 1.00 0.00 N ATOM 447 CA PRO A 409 -1.634 -7.070 10.643 1.00 0.00 C ATOM 448 C PRO A 409 -2.301 -8.086 9.707 1.00 0.00 C ATOM 449 O PRO A 409 -2.709 -7.747 8.598 1.00 0.00 O ATOM 450 CB PRO A 409 -2.685 -6.292 11.446 1.00 0.00 C ATOM 451 CG PRO A 409 -2.077 -4.898 11.571 1.00 0.00 C ATOM 452 CD PRO A 409 -1.344 -4.731 10.243 1.00 0.00 C ATOM 0 HA PRO A 409 -0.979 -7.649 11.294 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.645 -6.266 10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.859 -6.743 12.423 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.842 -4.134 11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.397 -4.827 12.420 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.007 -4.334 9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.511 -4.034 10.337 1.00 0.00 H new ATOM 460 N GLN A 410 -2.449 -9.332 10.169 1.00 0.00 N ATOM 461 CA GLN A 410 -3.049 -10.422 9.387 1.00 0.00 C ATOM 462 C GLN A 410 -4.553 -10.206 9.098 1.00 0.00 C ATOM 463 O GLN A 410 -5.097 -10.791 8.161 1.00 0.00 O ATOM 464 CB GLN A 410 -2.780 -11.741 10.134 1.00 0.00 C ATOM 465 CG GLN A 410 -3.329 -12.974 9.402 1.00 0.00 C ATOM 466 CD GLN A 410 -2.829 -14.289 10.006 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.892 -14.524 11.208 1.00 0.00 O ATOM 468 NE2 GLN A 410 -2.308 -15.198 9.206 1.00 0.00 N ATOM 0 H GLN A 410 -2.154 -9.616 11.103 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.586 -10.451 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -1.706 -11.859 10.275 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -3.227 -11.687 11.126 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -4.418 -12.955 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.039 -12.927 8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -2.247 -15.020 8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -1.966 -16.079 9.590 1.00 0.00 H new ATOM 477 N GLU A 411 -5.224 -9.343 9.865 1.00 0.00 N ATOM 478 CA GLU A 411 -6.665 -9.083 9.757 1.00 0.00 C ATOM 479 C GLU A 411 -7.041 -7.910 8.829 1.00 0.00 C ATOM 480 O GLU A 411 -8.222 -7.706 8.534 1.00 0.00 O ATOM 481 CB GLU A 411 -7.235 -8.859 11.166 1.00 0.00 C ATOM 482 CG GLU A 411 -6.737 -7.583 11.862 1.00 0.00 C ATOM 483 CD GLU A 411 -7.317 -7.480 13.282 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.416 -6.902 13.452 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.675 -7.978 14.238 1.00 0.00 O ATOM 0 H GLU A 411 -4.772 -8.792 10.595 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.107 -9.962 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.322 -8.821 11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.982 -9.718 11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.648 -7.589 11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.027 -6.708 11.280 1.00 0.00 H new ATOM 492 N PHE A 412 -6.053 -7.124 8.387 1.00 0.00 N ATOM 493 CA PHE A 412 -6.251 -5.898 7.600 1.00 0.00 C ATOM 494 C PHE A 412 -6.857 -6.161 6.210 1.00 0.00 C ATOM 495 O PHE A 412 -6.431 -7.066 5.488 1.00 0.00 O ATOM 496 CB PHE A 412 -4.922 -5.121 7.478 1.00 0.00 C ATOM 497 CG PHE A 412 -4.831 -3.878 8.344 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.152 -3.937 9.715 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.427 -2.651 7.778 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.082 -2.780 10.509 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.355 -1.494 8.574 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.686 -1.558 9.939 1.00 0.00 C ATOM 0 H PHE A 412 -5.070 -7.326 8.570 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.978 -5.292 8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.101 -5.789 7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.780 -4.833 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.453 -4.875 10.157 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.172 -2.600 6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.333 -2.830 11.558 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.045 -0.556 8.137 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.636 -0.668 10.549 1.00 0.00 H new ATOM 512 N GLY A 413 -7.824 -5.323 5.821 1.00 0.00 N ATOM 513 CA GLY A 413 -8.392 -5.245 4.473 1.00 0.00 C ATOM 514 C GLY A 413 -8.066 -3.928 3.768 1.00 0.00 C ATOM 515 O GLY A 413 -7.396 -3.048 4.306 1.00 0.00 O ATOM 0 H GLY A 413 -8.249 -4.654 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -8.014 -6.075 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.474 -5.362 4.532 1.00 0.00 H new ATOM 519 N ASP A 414 -8.577 -3.786 2.546 1.00 0.00 N ATOM 520 CA ASP A 414 -8.291 -2.646 1.662 1.00 0.00 C ATOM 521 C ASP A 414 -8.808 -1.307 2.216 1.00 0.00 C ATOM 522 O ASP A 414 -8.187 -0.265 2.004 1.00 0.00 O ATOM 523 CB ASP A 414 -8.918 -2.905 0.286 1.00 0.00 C ATOM 524 CG ASP A 414 -8.558 -4.274 -0.303 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.350 -4.517 -0.521 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.476 -5.092 -0.531 1.00 0.00 O ATOM 0 H ASP A 414 -9.212 -4.468 2.131 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.207 -2.561 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.002 -2.828 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.595 -2.125 -0.404 1.00 0.00 H new ATOM 531 N GLN A 415 -9.922 -1.341 2.955 1.00 0.00 N ATOM 532 CA GLN A 415 -10.494 -0.175 3.631 1.00 0.00 C ATOM 533 C GLN A 415 -9.656 0.242 4.847 1.00 0.00 C ATOM 534 O GLN A 415 -9.509 1.436 5.100 1.00 0.00 O ATOM 535 CB GLN A 415 -11.937 -0.481 4.070 1.00 0.00 C ATOM 536 CG GLN A 415 -12.936 -0.589 2.903 1.00 0.00 C ATOM 537 CD GLN A 415 -13.275 0.747 2.228 1.00 0.00 C ATOM 538 OE1 GLN A 415 -12.793 1.817 2.581 1.00 0.00 O ATOM 539 NE2 GLN A 415 -14.130 0.740 1.226 1.00 0.00 N ATOM 0 H GLN A 415 -10.460 -2.195 3.102 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.493 0.655 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.945 -1.416 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.272 0.301 4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.527 -1.267 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -13.858 -1.039 3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.544 -0.139 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -14.378 1.613 0.761 1.00 0.00 H new ATOM 548 N ASP A 416 -9.062 -0.710 5.576 1.00 0.00 N ATOM 549 CA ASP A 416 -8.203 -0.412 6.726 1.00 0.00 C ATOM 550 C ASP A 416 -6.910 0.283 6.279 1.00 0.00 C ATOM 551 O ASP A 416 -6.501 1.274 6.887 1.00 0.00 O ATOM 552 CB ASP A 416 -7.871 -1.691 7.512 1.00 0.00 C ATOM 553 CG ASP A 416 -9.118 -2.419 8.027 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.777 -1.906 8.964 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.418 -3.516 7.501 1.00 0.00 O ATOM 0 H ASP A 416 -9.164 -1.707 5.385 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.752 0.264 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.301 -2.366 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.231 -1.436 8.357 1.00 0.00 H new ATOM 560 N LEU A 417 -6.309 -0.181 5.174 1.00 0.00 N ATOM 561 CA LEU A 417 -5.134 0.452 4.579 1.00 0.00 C ATOM 562 C LEU A 417 -5.464 1.820 3.961 1.00 0.00 C ATOM 563 O LEU A 417 -4.666 2.747 4.087 1.00 0.00 O ATOM 564 CB LEU A 417 -4.506 -0.511 3.555 1.00 0.00 C ATOM 565 CG LEU A 417 -3.097 -0.080 3.098 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.082 -0.157 4.248 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.629 -0.975 1.946 1.00 0.00 C ATOM 0 H LEU A 417 -6.629 -1.008 4.670 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.406 0.653 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.450 -1.508 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.158 -0.580 2.684 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.157 0.956 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.101 0.154 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.398 0.502 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.026 -1.182 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.633 -0.667 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.598 -2.012 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.322 -0.884 1.110 1.00 0.00 H new ATOM 579 N LEU A 418 -6.647 1.983 3.352 1.00 0.00 N ATOM 580 CA LEU A 418 -7.102 3.279 2.835 1.00 0.00 C ATOM 581 C LEU A 418 -7.290 4.292 3.972 1.00 0.00 C ATOM 582 O LEU A 418 -6.738 5.389 3.909 1.00 0.00 O ATOM 583 CB LEU A 418 -8.395 3.083 2.017 1.00 0.00 C ATOM 584 CG LEU A 418 -8.971 4.393 1.439 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.017 5.086 0.459 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.306 4.115 0.741 1.00 0.00 C ATOM 0 H LEU A 418 -7.312 1.223 3.205 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.338 3.690 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.194 2.393 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.148 2.615 2.651 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.116 5.069 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.479 6.001 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.086 5.331 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.807 4.419 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.705 5.045 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.151 3.403 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.012 3.699 1.459 1.00 0.00 H new ATOM 598 N GLN A 419 -8.030 3.930 5.023 1.00 0.00 N ATOM 599 CA GLN A 419 -8.296 4.813 6.164 1.00 0.00 C ATOM 600 C GLN A 419 -7.018 5.143 6.957 1.00 0.00 C ATOM 601 O GLN A 419 -6.910 6.237 7.512 1.00 0.00 O ATOM 602 CB GLN A 419 -9.353 4.173 7.079 1.00 0.00 C ATOM 603 CG GLN A 419 -10.765 4.166 6.462 1.00 0.00 C ATOM 604 CD GLN A 419 -11.388 5.554 6.280 1.00 0.00 C ATOM 605 OE1 GLN A 419 -11.080 6.516 6.974 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.292 5.716 5.335 1.00 0.00 N ATOM 0 H GLN A 419 -8.464 3.011 5.108 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.676 5.757 5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.057 3.149 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.380 4.713 8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.721 3.672 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.421 3.568 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.562 4.928 4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.722 6.630 5.192 1.00 0.00 H new ATOM 615 N MET A 420 -6.026 4.242 6.968 1.00 0.00 N ATOM 616 CA MET A 420 -4.700 4.476 7.556 1.00 0.00 C ATOM 617 C MET A 420 -3.876 5.525 6.785 1.00 0.00 C ATOM 618 O MET A 420 -3.079 6.230 7.405 1.00 0.00 O ATOM 619 CB MET A 420 -3.969 3.123 7.648 1.00 0.00 C ATOM 620 CG MET A 420 -2.527 3.217 8.161 1.00 0.00 C ATOM 621 SD MET A 420 -1.662 1.626 8.227 1.00 0.00 S ATOM 622 CE MET A 420 -2.238 1.046 9.836 1.00 0.00 C ATOM 0 H MET A 420 -6.125 3.312 6.561 1.00 0.00 H new ATOM 0 HA MET A 420 -4.827 4.899 8.553 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.534 2.462 8.306 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.962 2.660 6.661 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.967 3.897 7.518 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.535 3.656 9.159 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.846 0.047 10.024 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.889 1.725 10.614 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.328 1.016 9.843 1.00 0.00 H new ATOM 632 N PHE A 421 -4.072 5.660 5.465 1.00 0.00 N ATOM 633 CA PHE A 421 -3.272 6.529 4.585 1.00 0.00 C ATOM 634 C PHE A 421 -3.994 7.813 4.126 1.00 0.00 C ATOM 635 O PHE A 421 -3.331 8.764 3.707 1.00 0.00 O ATOM 636 CB PHE A 421 -2.698 5.697 3.423 1.00 0.00 C ATOM 637 CG PHE A 421 -1.441 4.907 3.781 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.500 3.825 4.681 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.191 5.276 3.243 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.325 3.164 5.082 1.00 0.00 C ATOM 641 CE2 PHE A 421 0.984 4.617 3.644 1.00 0.00 C ATOM 642 CZ PHE A 421 0.920 3.575 4.581 1.00 0.00 C ATOM 0 H PHE A 421 -4.807 5.158 4.967 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.442 6.916 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.463 5.003 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.470 6.364 2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.455 3.500 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.136 6.073 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.381 2.339 5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.937 4.913 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.825 3.091 4.916 1.00 0.00 H new ATOM 652 N MET A 422 -5.319 7.919 4.293 1.00 0.00 N ATOM 653 CA MET A 422 -6.082 9.160 4.104 1.00 0.00 C ATOM 654 C MET A 422 -5.529 10.410 4.839 1.00 0.00 C ATOM 655 O MET A 422 -5.601 11.489 4.240 1.00 0.00 O ATOM 656 CB MET A 422 -7.540 8.930 4.534 1.00 0.00 C ATOM 657 CG MET A 422 -8.432 8.337 3.441 1.00 0.00 C ATOM 658 SD MET A 422 -10.188 8.483 3.864 1.00 0.00 S ATOM 659 CE MET A 422 -10.918 7.454 2.572 1.00 0.00 C ATOM 0 H MET A 422 -5.902 7.129 4.569 1.00 0.00 H new ATOM 0 HA MET A 422 -5.995 9.388 3.042 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.551 8.264 5.397 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.965 9.880 4.858 1.00 0.00 H new ATOM 0 HG2 MET A 422 -8.241 8.847 2.497 1.00 0.00 H new ATOM 0 HG3 MET A 422 -8.179 7.287 3.293 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.935 7.790 2.371 1.00 0.00 H new ATOM 0 HE2 MET A 422 -10.322 7.535 1.663 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.938 6.415 2.902 1.00 0.00 H new ATOM 669 N PRO A 423 -4.984 10.331 6.079 1.00 0.00 N ATOM 670 CA PRO A 423 -4.509 11.502 6.824 1.00 0.00 C ATOM 671 C PRO A 423 -3.374 12.298 6.163 1.00 0.00 C ATOM 672 O PRO A 423 -3.166 13.456 6.528 1.00 0.00 O ATOM 673 CB PRO A 423 -4.053 10.974 8.189 1.00 0.00 C ATOM 674 CG PRO A 423 -4.910 9.731 8.388 1.00 0.00 C ATOM 675 CD PRO A 423 -4.996 9.177 6.971 1.00 0.00 C ATOM 0 HA PRO A 423 -5.328 12.219 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.990 10.734 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.217 11.707 8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.448 9.023 9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.893 9.973 8.792 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.156 8.514 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.905 8.591 6.837 1.00 0.00 H new ATOM 683 N PHE A 424 -2.646 11.708 5.204 1.00 0.00 N ATOM 684 CA PHE A 424 -1.460 12.319 4.586 1.00 0.00 C ATOM 685 C PHE A 424 -1.761 13.013 3.246 1.00 0.00 C ATOM 686 O PHE A 424 -0.919 13.760 2.744 1.00 0.00 O ATOM 687 CB PHE A 424 -0.364 11.251 4.454 1.00 0.00 C ATOM 688 CG PHE A 424 -0.216 10.387 5.693 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.133 10.971 6.926 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.531 9.018 5.638 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.146 10.194 8.097 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.490 8.233 6.802 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.170 8.824 8.036 1.00 0.00 C ATOM 0 H PHE A 424 -2.866 10.784 4.832 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.110 13.120 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.589 10.613 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.587 11.740 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.391 12.019 6.972 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.806 8.568 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.399 10.648 9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.704 7.176 6.749 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.167 8.228 8.936 1.00 0.00 H new ATOM 703 N GLY A 425 -2.966 12.810 2.698 1.00 0.00 N ATOM 704 CA GLY A 425 -3.490 13.513 1.518 1.00 0.00 C ATOM 705 C GLY A 425 -4.363 12.656 0.601 1.00 0.00 C ATOM 706 O GLY A 425 -4.928 11.639 1.006 1.00 0.00 O ATOM 0 H GLY A 425 -3.625 12.130 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -4.071 14.372 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.651 13.901 0.940 1.00 0.00 H new ATOM 710 N ASN A 426 -4.498 13.097 -0.651 1.00 0.00 N ATOM 711 CA ASN A 426 -5.430 12.534 -1.633 1.00 0.00 C ATOM 712 C ASN A 426 -4.958 11.168 -2.178 1.00 0.00 C ATOM 713 O ASN A 426 -4.323 11.087 -3.233 1.00 0.00 O ATOM 714 CB ASN A 426 -5.671 13.558 -2.756 1.00 0.00 C ATOM 715 CG ASN A 426 -6.376 14.818 -2.257 1.00 0.00 C ATOM 716 OD1 ASN A 426 -5.755 15.738 -1.738 1.00 0.00 O ATOM 717 ND2 ASN A 426 -7.688 14.894 -2.388 1.00 0.00 N ATOM 0 H ASN A 426 -3.950 13.874 -1.020 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.378 12.334 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -4.716 13.833 -3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -6.270 13.097 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -8.187 15.720 -2.057 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -8.203 14.127 -2.820 1.00 0.00 H new ATOM 724 N VAL A 427 -5.293 10.089 -1.462 1.00 0.00 N ATOM 725 CA VAL A 427 -5.119 8.701 -1.927 1.00 0.00 C ATOM 726 C VAL A 427 -6.033 8.453 -3.138 1.00 0.00 C ATOM 727 O VAL A 427 -7.242 8.671 -3.070 1.00 0.00 O ATOM 728 CB VAL A 427 -5.408 7.662 -0.813 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.264 6.225 -1.346 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.459 7.820 0.385 1.00 0.00 C ATOM 0 H VAL A 427 -5.699 10.152 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.075 8.573 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.432 7.845 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.472 5.517 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.970 6.067 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.248 6.072 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.699 7.071 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.429 7.685 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.575 8.816 0.812 1.00 0.00 H new ATOM 740 N VAL A 428 -5.438 7.986 -4.236 1.00 0.00 N ATOM 741 CA VAL A 428 -6.107 7.616 -5.498 1.00 0.00 C ATOM 742 C VAL A 428 -6.524 6.139 -5.483 1.00 0.00 C ATOM 743 O VAL A 428 -7.559 5.785 -6.043 1.00 0.00 O ATOM 744 CB VAL A 428 -5.175 7.902 -6.706 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.713 7.379 -8.050 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.928 9.414 -6.845 1.00 0.00 C ATOM 0 H VAL A 428 -4.429 7.846 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 428 -7.007 8.223 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.251 7.365 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -5.005 7.618 -8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.844 6.298 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.672 7.850 -8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.273 9.599 -7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.878 9.925 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.458 9.791 -5.937 1.00 0.00 H new ATOM 756 N SER A 429 -5.741 5.273 -4.832 1.00 0.00 N ATOM 757 CA SER A 429 -5.914 3.813 -4.813 1.00 0.00 C ATOM 758 C SER A 429 -5.193 3.192 -3.607 1.00 0.00 C ATOM 759 O SER A 429 -4.126 3.670 -3.219 1.00 0.00 O ATOM 760 CB SER A 429 -5.352 3.210 -6.111 1.00 0.00 C ATOM 761 OG SER A 429 -6.232 3.440 -7.200 1.00 0.00 O ATOM 0 H SER A 429 -4.938 5.579 -4.282 1.00 0.00 H new ATOM 0 HA SER A 429 -6.979 3.593 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.377 3.647 -6.327 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.199 2.139 -5.982 1.00 0.00 H new ATOM 0 HG SER A 429 -6.868 4.146 -6.963 1.00 0.00 H new ATOM 767 N ALA A 430 -5.761 2.125 -3.034 1.00 0.00 N ATOM 768 CA ALA A 430 -5.214 1.373 -1.900 1.00 0.00 C ATOM 769 C ALA A 430 -5.657 -0.098 -1.955 1.00 0.00 C ATOM 770 O ALA A 430 -6.790 -0.396 -2.333 1.00 0.00 O ATOM 771 CB ALA A 430 -5.675 2.027 -0.591 1.00 0.00 C ATOM 0 H ALA A 430 -6.650 1.747 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.125 1.393 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.271 1.471 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.318 3.056 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.764 2.019 -0.544 1.00 0.00 H new ATOM 777 N LYS A 431 -4.783 -1.023 -1.553 1.00 0.00 N ATOM 778 CA LYS A 431 -5.027 -2.468 -1.618 1.00 0.00 C ATOM 779 C LYS A 431 -4.132 -3.271 -0.659 1.00 0.00 C ATOM 780 O LYS A 431 -2.951 -2.970 -0.512 1.00 0.00 O ATOM 781 CB LYS A 431 -4.863 -2.934 -3.074 1.00 0.00 C ATOM 782 CG LYS A 431 -5.113 -4.442 -3.205 1.00 0.00 C ATOM 783 CD LYS A 431 -5.415 -4.845 -4.644 1.00 0.00 C ATOM 784 CE LYS A 431 -5.610 -6.363 -4.741 1.00 0.00 C ATOM 785 NZ LYS A 431 -6.877 -6.825 -4.108 1.00 0.00 N ATOM 0 H LYS A 431 -3.869 -0.786 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.047 -2.659 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.559 -2.390 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.858 -2.698 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.238 -4.987 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -5.947 -4.729 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.312 -4.333 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -4.598 -4.534 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.605 -6.659 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -4.767 -6.864 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -6.989 -7.847 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -6.846 -6.630 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -7.681 -6.320 -4.532 1.00 0.00 H new ATOM 799 N VAL A 432 -4.679 -4.326 -0.060 1.00 0.00 N ATOM 800 CA VAL A 432 -3.962 -5.356 0.709 1.00 0.00 C ATOM 801 C VAL A 432 -4.005 -6.646 -0.114 1.00 0.00 C ATOM 802 O VAL A 432 -5.033 -6.962 -0.716 1.00 0.00 O ATOM 803 CB VAL A 432 -4.593 -5.594 2.104 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.816 -6.652 2.909 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.631 -4.305 2.939 1.00 0.00 C ATOM 0 H VAL A 432 -5.683 -4.500 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.938 -5.027 0.886 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.608 -5.944 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.290 -6.790 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.819 -7.597 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.788 -6.319 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -5.080 -4.514 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.616 -3.933 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.223 -3.552 2.419 1.00 0.00 H new ATOM 815 N PHE A 433 -2.894 -7.382 -0.158 1.00 0.00 N ATOM 816 CA PHE A 433 -2.823 -8.676 -0.837 1.00 0.00 C ATOM 817 C PHE A 433 -3.346 -9.778 0.099 1.00 0.00 C ATOM 818 O PHE A 433 -2.927 -9.882 1.251 1.00 0.00 O ATOM 819 CB PHE A 433 -1.393 -8.888 -1.353 1.00 0.00 C ATOM 820 CG PHE A 433 -0.999 -7.840 -2.385 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.472 -7.939 -3.708 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.223 -6.727 -2.011 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.168 -6.935 -4.646 1.00 0.00 C ATOM 824 CE2 PHE A 433 0.086 -5.724 -2.948 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.389 -5.827 -4.266 1.00 0.00 C ATOM 0 H PHE A 433 -2.017 -7.097 0.277 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.469 -8.711 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.696 -8.852 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.310 -9.881 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.070 -8.788 -4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.138 -6.642 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.533 -7.015 -5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.687 -4.876 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.156 -5.057 -4.986 1.00 0.00 H new ATOM 963 N LYS A 442 -1.803 -11.178 3.590 1.00 0.00 N ATOM 964 CA LYS A 442 -0.429 -11.668 3.419 1.00 0.00 C ATOM 965 C LYS A 442 0.619 -10.796 4.154 1.00 0.00 C ATOM 966 O LYS A 442 1.823 -11.027 4.015 1.00 0.00 O ATOM 967 CB LYS A 442 -0.120 -11.792 1.915 1.00 0.00 C ATOM 968 CG LYS A 442 -0.989 -12.844 1.207 1.00 0.00 C ATOM 969 CD LYS A 442 -0.573 -12.979 -0.264 1.00 0.00 C ATOM 970 CE LYS A 442 -1.403 -14.069 -0.955 1.00 0.00 C ATOM 971 NZ LYS A 442 -1.026 -14.227 -2.384 1.00 0.00 N ATOM 0 HA LYS A 442 -0.359 -12.652 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.271 -10.824 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 442 0.931 -12.051 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.889 -13.806 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -2.039 -12.559 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.711 -12.027 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.487 -13.224 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -1.263 -15.017 -0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -2.462 -13.820 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -1.608 -14.972 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -1.183 -13.330 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 -0.022 -14.490 -2.451 1.00 0.00 H new ATOM 985 N CYS A 443 0.164 -9.777 4.896 1.00 0.00 N ATOM 986 CA CYS A 443 0.936 -8.807 5.686 1.00 0.00 C ATOM 987 C CYS A 443 1.626 -7.733 4.822 1.00 0.00 C ATOM 988 O CYS A 443 2.567 -7.089 5.285 1.00 0.00 O ATOM 989 CB CYS A 443 1.900 -9.503 6.670 1.00 0.00 C ATOM 990 SG CYS A 443 1.045 -10.787 7.639 1.00 0.00 S ATOM 0 H CYS A 443 -0.837 -9.595 4.965 1.00 0.00 H new ATOM 0 HA CYS A 443 0.214 -8.261 6.293 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.726 -9.951 6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.332 -8.763 7.344 1.00 0.00 H new ATOM 0 HG CYS A 443 1.888 -11.350 8.453 1.00 0.00 H new ATOM 996 N PHE A 444 1.164 -7.505 3.587 1.00 0.00 N ATOM 997 CA PHE A 444 1.673 -6.449 2.708 1.00 0.00 C ATOM 998 C PHE A 444 0.590 -5.913 1.758 1.00 0.00 C ATOM 999 O PHE A 444 -0.427 -6.565 1.508 1.00 0.00 O ATOM 1000 CB PHE A 444 2.948 -6.908 1.972 1.00 0.00 C ATOM 1001 CG PHE A 444 2.739 -7.786 0.751 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.429 -9.151 0.898 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.888 -7.242 -0.540 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.259 -9.964 -0.238 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.721 -8.055 -1.674 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.401 -9.415 -1.524 1.00 0.00 C ATOM 0 H PHE A 444 0.416 -8.057 3.166 1.00 0.00 H new ATOM 0 HA PHE A 444 1.957 -5.603 3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.504 -6.022 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.576 -7.449 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.321 -9.576 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.131 -6.196 -0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.019 -11.011 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.839 -7.634 -2.662 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.264 -10.038 -2.396 1.00 0.00 H new ATOM 1016 N GLY A 445 0.810 -4.692 1.267 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.144 -3.888 0.505 1.00 0.00 C ATOM 1018 C GLY A 445 0.508 -2.786 -0.330 1.00 0.00 C ATOM 1019 O GLY A 445 1.731 -2.690 -0.436 1.00 0.00 O ATOM 0 H GLY A 445 1.702 -4.215 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.712 -4.544 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.856 -3.435 1.195 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.336 -1.954 -0.932 1.00 0.00 N ATOM 1024 CA PHE A 446 0.003 -0.936 -1.922 1.00 0.00 C ATOM 1025 C PHE A 446 -0.936 0.272 -1.778 1.00 0.00 C ATOM 1026 O PHE A 446 -2.128 0.091 -1.535 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.113 -1.585 -3.312 1.00 0.00 C ATOM 1028 CG PHE A 446 0.150 -0.651 -4.477 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.438 -0.120 -4.666 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.881 -0.319 -5.379 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.700 0.745 -5.741 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.617 0.543 -6.459 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.674 1.071 -6.643 1.00 0.00 C ATOM 0 H PHE A 446 -1.336 -1.973 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 446 1.019 -0.568 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.588 -2.418 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.114 -2.003 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.231 -0.379 -3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.872 -0.726 -5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.689 1.159 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.407 0.800 -7.149 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.876 1.727 -7.477 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.414 1.494 -1.920 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.164 2.763 -1.806 1.00 0.00 C ATOM 1045 C VAL A 447 -0.572 3.788 -2.774 1.00 0.00 C ATOM 1046 O VAL A 447 0.644 3.905 -2.867 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.135 3.346 -0.367 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.907 4.675 -0.266 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.735 2.388 0.676 1.00 0.00 C ATOM 0 H VAL A 447 0.575 1.639 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.204 2.550 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 447 -0.078 3.503 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.860 5.046 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.460 5.407 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.948 4.513 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.688 2.849 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.774 2.179 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.169 1.457 0.683 1.00 0.00 H new ATOM 1059 N SER A 448 -1.405 4.552 -3.478 1.00 0.00 N ATOM 1060 CA SER A 448 -0.959 5.583 -4.429 1.00 0.00 C ATOM 1061 C SER A 448 -1.742 6.894 -4.290 1.00 0.00 C ATOM 1062 O SER A 448 -2.959 6.888 -4.099 1.00 0.00 O ATOM 1063 CB SER A 448 -1.103 5.076 -5.867 1.00 0.00 C ATOM 1064 OG SER A 448 -0.244 3.979 -6.118 1.00 0.00 O ATOM 0 H SER A 448 -2.420 4.476 -3.408 1.00 0.00 H new ATOM 0 HA SER A 448 0.086 5.786 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 448 -2.136 4.779 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.877 5.884 -6.563 1.00 0.00 H new ATOM 0 HG SER A 448 -0.774 3.157 -6.183 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.047 8.024 -4.433 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.580 9.392 -4.342 1.00 0.00 C ATOM 1072 C TYR A 449 -1.590 10.105 -5.709 1.00 0.00 C ATOM 1073 O TYR A 449 -0.991 9.630 -6.674 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.725 10.191 -3.344 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.811 9.723 -1.905 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.059 8.614 -1.473 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.648 10.403 -0.999 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.143 8.185 -0.136 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.742 9.973 0.337 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.989 8.860 0.768 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.094 8.407 2.042 1.00 0.00 O ATOM 0 H TYR A 449 -0.045 8.013 -4.625 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.614 9.333 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.316 10.145 -3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -1.026 11.238 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.582 8.093 -2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.219 11.257 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.440 7.339 0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.388 10.492 1.030 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.960 8.676 2.415 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.223 11.279 -5.791 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.189 12.144 -6.985 1.00 0.00 C ATOM 1093 C ASP A 450 -0.907 13.002 -7.092 1.00 0.00 C ATOM 1094 O ASP A 450 -0.728 13.729 -8.070 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.467 13.000 -7.057 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.420 14.286 -6.211 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -2.885 14.249 -5.080 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -3.934 15.328 -6.683 1.00 0.00 O ATOM 0 H ASP A 450 -2.779 11.663 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.159 11.487 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -3.651 13.270 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -4.313 12.396 -6.731 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.011 12.910 -6.100 1.00 0.00 N ATOM 1104 CA ASN A 451 1.252 13.650 -6.007 1.00 0.00 C ATOM 1105 C ASN A 451 2.266 12.942 -5.089 1.00 0.00 C ATOM 1106 O ASN A 451 1.860 12.203 -4.184 1.00 0.00 O ATOM 1107 CB ASN A 451 1.003 15.078 -5.490 1.00 0.00 C ATOM 1108 CG ASN A 451 0.658 15.137 -4.011 1.00 0.00 C ATOM 1109 OD1 ASN A 451 1.546 15.337 -3.201 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -0.576 14.938 -3.598 1.00 0.00 N ATOM 0 H ASN A 451 -0.155 12.288 -5.304 1.00 0.00 H new ATOM 0 HA ASN A 451 1.673 13.692 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 451 1.892 15.682 -5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.191 15.526 -6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -0.788 14.951 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.320 14.771 -4.276 1.00 0.00 H new ATOM 1117 N PRO A 452 3.577 13.208 -5.249 1.00 0.00 N ATOM 1118 CA PRO A 452 4.599 12.613 -4.403 1.00 0.00 C ATOM 1119 C PRO A 452 4.723 13.270 -3.023 1.00 0.00 C ATOM 1120 O PRO A 452 5.360 12.674 -2.158 1.00 0.00 O ATOM 1121 CB PRO A 452 5.893 12.727 -5.205 1.00 0.00 C ATOM 1122 CG PRO A 452 5.698 13.982 -6.044 1.00 0.00 C ATOM 1123 CD PRO A 452 4.192 14.006 -6.307 1.00 0.00 C ATOM 0 HA PRO A 452 4.343 11.580 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.761 12.815 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.053 11.849 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 452 6.027 14.875 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.267 13.936 -6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.812 15.027 -6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.962 13.592 -7.289 1.00 0.00 H new ATOM 1131 N VAL A 453 4.125 14.442 -2.762 1.00 0.00 N ATOM 1132 CA VAL A 453 4.341 15.134 -1.473 1.00 0.00 C ATOM 1133 C VAL A 453 3.479 14.504 -0.369 1.00 0.00 C ATOM 1134 O VAL A 453 3.985 14.194 0.706 1.00 0.00 O ATOM 1135 CB VAL A 453 4.102 16.661 -1.570 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.467 17.364 -0.252 1.00 0.00 C ATOM 1137 CG2 VAL A 453 4.929 17.290 -2.707 1.00 0.00 C ATOM 0 H VAL A 453 3.501 14.926 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 453 5.391 15.003 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 453 3.041 16.799 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.289 18.435 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.852 16.966 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.519 17.190 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 453 4.737 18.362 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 453 5.990 17.118 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 453 4.647 16.836 -3.657 1.00 0.00 H new ATOM 1147 N SER A 454 2.206 14.219 -0.660 1.00 0.00 N ATOM 1148 CA SER A 454 1.304 13.459 0.219 1.00 0.00 C ATOM 1149 C SER A 454 1.790 12.018 0.429 1.00 0.00 C ATOM 1150 O SER A 454 1.627 11.448 1.508 1.00 0.00 O ATOM 1151 CB SER A 454 -0.101 13.416 -0.401 1.00 0.00 C ATOM 1152 OG SER A 454 -0.627 14.715 -0.644 1.00 0.00 O ATOM 0 H SER A 454 1.762 14.515 -1.530 1.00 0.00 H new ATOM 0 HA SER A 454 1.287 13.962 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.065 12.861 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.772 12.874 0.265 1.00 0.00 H new ATOM 0 HG SER A 454 -1.581 14.647 -0.857 1.00 0.00 H new ATOM 1158 N ALA A 455 2.445 11.448 -0.588 1.00 0.00 N ATOM 1159 CA ALA A 455 3.001 10.103 -0.549 1.00 0.00 C ATOM 1160 C ALA A 455 4.232 10.023 0.364 1.00 0.00 C ATOM 1161 O ALA A 455 4.263 9.204 1.279 1.00 0.00 O ATOM 1162 CB ALA A 455 3.296 9.682 -1.990 1.00 0.00 C ATOM 0 H ALA A 455 2.603 11.923 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 455 2.285 9.406 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.715 8.676 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.373 9.694 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.011 10.376 -2.433 1.00 0.00 H new ATOM 1168 N GLN A 456 5.223 10.905 0.186 1.00 0.00 N ATOM 1169 CA GLN A 456 6.408 10.926 1.051 1.00 0.00 C ATOM 1170 C GLN A 456 6.070 11.343 2.490 1.00 0.00 C ATOM 1171 O GLN A 456 6.687 10.830 3.424 1.00 0.00 O ATOM 1172 CB GLN A 456 7.516 11.801 0.445 1.00 0.00 C ATOM 1173 CG GLN A 456 8.092 11.182 -0.841 1.00 0.00 C ATOM 1174 CD GLN A 456 9.397 11.852 -1.274 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.471 13.048 -1.530 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.485 11.111 -1.364 1.00 0.00 N ATOM 0 H GLN A 456 5.228 11.613 -0.549 1.00 0.00 H new ATOM 0 HA GLN A 456 6.786 9.905 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 456 7.118 12.792 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.315 11.933 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 456 8.268 10.118 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 456 7.359 11.268 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 456 10.442 10.114 -1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 456 11.370 11.535 -1.643 1.00 0.00 H new ATOM 1185 N ALA A 457 5.038 12.172 2.696 1.00 0.00 N ATOM 1186 CA ALA A 457 4.504 12.464 4.027 1.00 0.00 C ATOM 1187 C ALA A 457 3.929 11.216 4.725 1.00 0.00 C ATOM 1188 O ALA A 457 4.030 11.110 5.949 1.00 0.00 O ATOM 1189 CB ALA A 457 3.458 13.579 3.910 1.00 0.00 C ATOM 0 H ALA A 457 4.552 12.658 1.942 1.00 0.00 H new ATOM 0 HA ALA A 457 5.325 12.799 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 457 3.054 13.804 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.924 14.473 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.651 13.254 3.253 1.00 0.00 H new ATOM 1195 N ALA A 458 3.397 10.243 3.972 1.00 0.00 N ATOM 1196 CA ALA A 458 2.967 8.960 4.519 1.00 0.00 C ATOM 1197 C ALA A 458 4.166 8.069 4.870 1.00 0.00 C ATOM 1198 O ALA A 458 4.188 7.495 5.956 1.00 0.00 O ATOM 1199 CB ALA A 458 2.015 8.281 3.531 1.00 0.00 C ATOM 0 H ALA A 458 3.255 10.329 2.966 1.00 0.00 H new ATOM 0 HA ALA A 458 2.431 9.131 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.692 7.322 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.145 8.917 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.529 8.119 2.583 1.00 0.00 H new ATOM 1205 N ILE A 459 5.207 8.017 4.024 1.00 0.00 N ATOM 1206 CA ILE A 459 6.463 7.297 4.337 1.00 0.00 C ATOM 1207 C ILE A 459 7.068 7.825 5.646 1.00 0.00 C ATOM 1208 O ILE A 459 7.356 7.044 6.550 1.00 0.00 O ATOM 1209 CB ILE A 459 7.507 7.374 3.192 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.906 6.993 1.823 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.701 6.451 3.516 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.896 7.126 0.662 1.00 0.00 C ATOM 0 H ILE A 459 5.208 8.468 3.109 1.00 0.00 H new ATOM 0 HA ILE A 459 6.201 6.245 4.453 1.00 0.00 H new ATOM 0 HB ILE A 459 7.841 8.409 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.546 5.965 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.041 7.626 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.433 6.507 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.164 6.770 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.350 5.424 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.405 6.842 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.238 8.159 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.751 6.472 0.836 1.00 0.00 H new ATOM 1224 N GLN A 460 7.190 9.148 5.776 1.00 0.00 N ATOM 1225 CA GLN A 460 7.779 9.802 6.949 1.00 0.00 C ATOM 1226 C GLN A 460 6.903 9.710 8.214 1.00 0.00 C ATOM 1227 O GLN A 460 7.392 9.983 9.310 1.00 0.00 O ATOM 1228 CB GLN A 460 8.097 11.272 6.609 1.00 0.00 C ATOM 1229 CG GLN A 460 9.221 11.446 5.571 1.00 0.00 C ATOM 1230 CD GLN A 460 10.588 11.002 6.098 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.978 9.844 6.001 1.00 0.00 O ATOM 1232 NE2 GLN A 460 11.368 11.891 6.682 1.00 0.00 N ATOM 0 H GLN A 460 6.879 9.805 5.060 1.00 0.00 H new ATOM 0 HA GLN A 460 8.696 9.264 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.193 11.751 6.234 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.378 11.793 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 460 8.977 10.871 4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.274 12.493 5.272 1.00 0.00 H new ATOM 0 HE21 GLN A 460 11.060 12.859 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 460 12.279 11.610 7.044 1.00 0.00 H new ATOM 1241 N SER A 461 5.637 9.298 8.098 1.00 0.00 N ATOM 1242 CA SER A 461 4.723 9.119 9.241 1.00 0.00 C ATOM 1243 C SER A 461 4.502 7.647 9.632 1.00 0.00 C ATOM 1244 O SER A 461 4.248 7.364 10.806 1.00 0.00 O ATOM 1245 CB SER A 461 3.361 9.757 8.931 1.00 0.00 C ATOM 1246 OG SER A 461 3.474 11.151 8.683 1.00 0.00 O ATOM 0 H SER A 461 5.209 9.076 7.199 1.00 0.00 H new ATOM 0 HA SER A 461 5.204 9.610 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.920 9.268 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.683 9.591 9.768 1.00 0.00 H new ATOM 0 HG SER A 461 3.660 11.300 7.732 1.00 0.00 H new ATOM 1252 N MET A 462 4.620 6.709 8.680 1.00 0.00 N ATOM 1253 CA MET A 462 4.215 5.304 8.850 1.00 0.00 C ATOM 1254 C MET A 462 5.354 4.287 8.762 1.00 0.00 C ATOM 1255 O MET A 462 5.199 3.162 9.237 1.00 0.00 O ATOM 1256 CB MET A 462 3.139 4.952 7.812 1.00 0.00 C ATOM 1257 CG MET A 462 1.884 5.826 7.934 1.00 0.00 C ATOM 1258 SD MET A 462 1.148 5.934 9.593 1.00 0.00 S ATOM 1259 CE MET A 462 0.586 4.233 9.799 1.00 0.00 C ATOM 0 H MET A 462 5.005 6.907 7.757 1.00 0.00 H new ATOM 0 HA MET A 462 3.832 5.232 9.868 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.557 5.062 6.811 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.859 3.905 7.927 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.133 6.834 7.602 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.129 5.442 7.247 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.168 4.192 10.585 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.155 3.876 8.864 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.431 3.601 10.073 1.00 0.00 H new ATOM 1269 N ASN A 463 6.509 4.644 8.198 1.00 0.00 N ATOM 1270 CA ASN A 463 7.667 3.755 8.177 1.00 0.00 C ATOM 1271 C ASN A 463 8.257 3.617 9.599 1.00 0.00 C ATOM 1272 O ASN A 463 8.769 4.584 10.168 1.00 0.00 O ATOM 1273 CB ASN A 463 8.676 4.278 7.147 1.00 0.00 C ATOM 1274 CG ASN A 463 9.788 3.273 6.900 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.534 2.176 6.417 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.025 3.595 7.225 1.00 0.00 N ATOM 0 H ASN A 463 6.666 5.546 7.749 1.00 0.00 H new ATOM 0 HA ASN A 463 7.379 2.750 7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.163 4.493 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.104 5.217 7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.782 2.928 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.225 4.511 7.626 1.00 0.00 H new ATOM 1283 N GLY A 464 8.143 2.419 10.183 1.00 0.00 N ATOM 1284 CA GLY A 464 8.482 2.103 11.579 1.00 0.00 C ATOM 1285 C GLY A 464 7.306 2.194 12.565 1.00 0.00 C ATOM 1286 O GLY A 464 7.519 1.993 13.761 1.00 0.00 O ATOM 0 H GLY A 464 7.797 1.605 9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.894 1.095 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.268 2.782 11.910 1.00 0.00 H new ATOM 1290 N PHE A 465 6.080 2.478 12.101 1.00 0.00 N ATOM 1291 CA PHE A 465 4.878 2.586 12.941 1.00 0.00 C ATOM 1292 C PHE A 465 4.555 1.253 13.628 1.00 0.00 C ATOM 1293 O PHE A 465 4.426 0.231 12.953 1.00 0.00 O ATOM 1294 CB PHE A 465 3.703 3.047 12.066 1.00 0.00 C ATOM 1295 CG PHE A 465 2.389 3.268 12.794 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.093 4.539 13.321 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.447 2.224 12.919 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.867 4.770 13.970 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.220 2.459 13.567 1.00 0.00 C ATOM 1300 CZ PHE A 465 -0.070 3.730 14.092 1.00 0.00 C ATOM 0 H PHE A 465 5.893 2.642 11.112 1.00 0.00 H new ATOM 0 HA PHE A 465 5.058 3.317 13.730 1.00 0.00 H new ATOM 0 HB2 PHE A 465 3.985 3.977 11.572 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.544 2.305 11.283 1.00 0.00 H new ATOM 0 HD1 PHE A 465 2.811 5.341 13.227 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.668 1.246 12.518 1.00 0.00 H new ATOM 0 HE1 PHE A 465 0.646 5.747 14.375 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.501 1.660 13.661 1.00 0.00 H new ATOM 0 HZ PHE A 465 -1.012 3.907 14.589 1.00 0.00 H new ATOM 1310 N GLN A 466 4.426 1.252 14.958 1.00 0.00 N ATOM 1311 CA GLN A 466 4.162 0.039 15.733 1.00 0.00 C ATOM 1312 C GLN A 466 2.657 -0.251 15.808 1.00 0.00 C ATOM 1313 O GLN A 466 1.856 0.622 16.145 1.00 0.00 O ATOM 1314 CB GLN A 466 4.818 0.151 17.121 1.00 0.00 C ATOM 1315 CG GLN A 466 4.827 -1.205 17.854 1.00 0.00 C ATOM 1316 CD GLN A 466 5.689 -1.200 19.118 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.822 -0.730 19.128 1.00 0.00 O ATOM 1318 NE2 GLN A 466 5.213 -1.744 20.219 1.00 0.00 N ATOM 0 H GLN A 466 4.502 2.095 15.528 1.00 0.00 H new ATOM 0 HA GLN A 466 4.611 -0.816 15.228 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.840 0.514 17.013 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.280 0.886 17.720 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.805 -1.474 18.120 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.193 -1.975 17.175 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.273 -2.139 20.227 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.785 -1.770 21.063 1.00 0.00 H new ATOM 1327 N ILE A 467 2.273 -1.492 15.495 1.00 0.00 N ATOM 1328 CA ILE A 467 0.882 -1.944 15.373 1.00 0.00 C ATOM 1329 C ILE A 467 0.774 -3.429 15.756 1.00 0.00 C ATOM 1330 O ILE A 467 1.586 -4.252 15.322 1.00 0.00 O ATOM 1331 CB ILE A 467 0.359 -1.615 13.952 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.177 -1.742 13.905 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.049 -2.435 12.845 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.807 -1.263 12.592 1.00 0.00 C ATOM 0 H ILE A 467 2.946 -2.237 15.313 1.00 0.00 H new ATOM 0 HA ILE A 467 0.237 -1.412 16.072 1.00 0.00 H new ATOM 0 HB ILE A 467 0.623 -0.579 13.741 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.449 -2.785 14.066 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.603 -1.170 14.729 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.637 -2.156 11.875 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.120 -2.232 12.856 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.879 -3.497 13.020 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.889 -1.386 12.641 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.568 -0.211 12.437 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.412 -1.851 11.763 1.00 0.00 H new ATOM 1392 N ARG A 471 6.221 -3.793 13.685 1.00 0.00 N ATOM 1393 CA ARG A 471 6.432 -2.454 13.099 1.00 0.00 C ATOM 1394 C ARG A 471 6.369 -2.489 11.568 1.00 0.00 C ATOM 1395 O ARG A 471 6.986 -3.351 10.939 1.00 0.00 O ATOM 1396 CB ARG A 471 7.759 -1.838 13.582 1.00 0.00 C ATOM 1397 CG ARG A 471 7.722 -1.518 15.085 1.00 0.00 C ATOM 1398 CD ARG A 471 8.995 -0.820 15.570 1.00 0.00 C ATOM 1399 NE ARG A 471 8.878 -0.469 16.996 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.748 0.211 17.729 1.00 0.00 C ATOM 1401 NH1 ARG A 471 10.892 0.651 17.247 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.450 0.452 18.986 1.00 0.00 N ATOM 0 HA ARG A 471 5.618 -1.817 13.446 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.577 -2.529 13.377 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.963 -0.926 13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.861 -0.884 15.296 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.583 -2.442 15.646 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.855 -1.473 15.419 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.171 0.080 14.981 1.00 0.00 H new ATOM 0 HE ARG A 471 8.033 -0.785 17.472 1.00 0.00 H new ATOM 0 HH11 ARG A 471 11.138 0.472 16.273 1.00 0.00 H new ATOM 0 HH12 ARG A 471 11.532 1.171 17.847 1.00 0.00 H new ATOM 0 HH21 ARG A 471 8.568 0.118 19.374 1.00 0.00 H new ATOM 0 HH22 ARG A 471 10.101 0.973 19.574 1.00 0.00 H new ATOM 1416 N LEU A 472 5.618 -1.552 10.984 1.00 0.00 N ATOM 1417 CA LEU A 472 5.421 -1.411 9.537 1.00 0.00 C ATOM 1418 C LEU A 472 6.693 -0.940 8.818 1.00 0.00 C ATOM 1419 O LEU A 472 7.517 -0.231 9.392 1.00 0.00 O ATOM 1420 CB LEU A 472 4.290 -0.394 9.256 1.00 0.00 C ATOM 1421 CG LEU A 472 2.894 -0.730 9.815 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.874 0.311 9.331 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.439 -2.127 9.387 1.00 0.00 C ATOM 0 H LEU A 472 5.113 -0.847 11.522 1.00 0.00 H new ATOM 0 HA LEU A 472 5.158 -2.397 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.594 0.571 9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.203 -0.274 8.176 1.00 0.00 H new ATOM 0 HG LEU A 472 2.957 -0.711 10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.889 0.068 9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.172 1.301 9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.836 0.304 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.451 -2.330 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.396 -2.178 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.146 -2.869 9.757 1.00 0.00 H new ATOM 1435 N LYS A 473 6.805 -1.270 7.533 1.00 0.00 N ATOM 1436 CA LYS A 473 7.788 -0.692 6.604 1.00 0.00 C ATOM 1437 C LYS A 473 7.026 -0.104 5.405 1.00 0.00 C ATOM 1438 O LYS A 473 6.074 -0.719 4.927 1.00 0.00 O ATOM 1439 CB LYS A 473 8.828 -1.753 6.185 1.00 0.00 C ATOM 1440 CG LYS A 473 9.939 -1.165 5.291 1.00 0.00 C ATOM 1441 CD LYS A 473 11.004 -2.195 4.874 1.00 0.00 C ATOM 1442 CE LYS A 473 10.521 -3.263 3.875 1.00 0.00 C ATOM 1443 NZ LYS A 473 10.280 -2.713 2.512 1.00 0.00 N ATOM 0 H LYS A 473 6.201 -1.964 7.093 1.00 0.00 H new ATOM 0 HA LYS A 473 8.350 0.108 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.276 -2.191 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.325 -2.560 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.486 -0.740 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.425 -0.346 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 473 11.849 -1.664 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.373 -2.696 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 473 11.263 -4.059 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 473 9.601 -3.713 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 10.570 -3.412 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 9.268 -2.501 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 10.833 -1.841 2.387 1.00 0.00 H new ATOM 1457 N VAL A 474 7.419 1.067 4.909 1.00 0.00 N ATOM 1458 CA VAL A 474 6.769 1.751 3.779 1.00 0.00 C ATOM 1459 C VAL A 474 7.861 2.260 2.836 1.00 0.00 C ATOM 1460 O VAL A 474 8.866 2.798 3.299 1.00 0.00 O ATOM 1461 CB VAL A 474 5.866 2.915 4.253 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.091 3.511 3.069 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.864 2.470 5.331 1.00 0.00 C ATOM 0 H VAL A 474 8.215 1.583 5.285 1.00 0.00 H new ATOM 0 HA VAL A 474 6.120 1.047 3.259 1.00 0.00 H new ATOM 0 HB VAL A 474 6.525 3.667 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.461 4.328 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.794 3.889 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.466 2.740 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.252 3.320 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.222 1.686 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.406 2.088 6.196 1.00 0.00 H new ATOM 1473 N GLN A 475 7.689 2.066 1.525 1.00 0.00 N ATOM 1474 CA GLN A 475 8.744 2.291 0.534 1.00 0.00 C ATOM 1475 C GLN A 475 8.161 2.668 -0.837 1.00 0.00 C ATOM 1476 O GLN A 475 7.093 2.190 -1.219 1.00 0.00 O ATOM 1477 CB GLN A 475 9.587 1.003 0.475 1.00 0.00 C ATOM 1478 CG GLN A 475 10.875 1.099 -0.359 1.00 0.00 C ATOM 1479 CD GLN A 475 11.699 -0.194 -0.323 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.622 -1.008 0.596 1.00 0.00 O ATOM 1481 NE2 GLN A 475 12.518 -0.445 -1.323 1.00 0.00 N ATOM 0 H GLN A 475 6.809 1.747 1.120 1.00 0.00 H new ATOM 0 HA GLN A 475 9.370 3.135 0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.853 0.715 1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 475 8.969 0.202 0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 475 10.618 1.333 -1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.483 1.924 0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 475 12.597 0.216 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.073 -1.301 -1.325 1.00 0.00 H new ATOM 1490 N LEU A 476 8.874 3.519 -1.585 1.00 0.00 N ATOM 1491 CA LEU A 476 8.528 3.883 -2.967 1.00 0.00 C ATOM 1492 C LEU A 476 8.637 2.698 -3.941 1.00 0.00 C ATOM 1493 O LEU A 476 9.419 1.766 -3.746 1.00 0.00 O ATOM 1494 CB LEU A 476 9.465 5.007 -3.470 1.00 0.00 C ATOM 1495 CG LEU A 476 9.284 6.400 -2.839 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.302 7.366 -3.458 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.878 6.958 -3.085 1.00 0.00 C ATOM 0 H LEU A 476 9.718 3.980 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 476 7.490 4.215 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.495 4.690 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.332 5.103 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 476 9.434 6.301 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.180 8.355 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.312 7.004 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.138 7.427 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.791 7.942 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.703 7.043 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.139 6.286 -2.649 1.00 0.00 H new ATOM 1509 N LYS A 477 7.926 2.803 -5.067 1.00 0.00 N ATOM 1510 CA LYS A 477 8.061 1.927 -6.243 1.00 0.00 C ATOM 1511 C LYS A 477 9.338 2.291 -7.052 1.00 0.00 C ATOM 1512 O LYS A 477 9.272 2.660 -8.229 1.00 0.00 O ATOM 1513 CB LYS A 477 6.751 2.021 -7.054 1.00 0.00 C ATOM 1514 CG LYS A 477 6.628 0.930 -8.132 1.00 0.00 C ATOM 1515 CD LYS A 477 5.404 1.189 -9.018 1.00 0.00 C ATOM 1516 CE LYS A 477 5.196 0.032 -10.002 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.218 0.396 -11.057 1.00 0.00 N ATOM 0 H LYS A 477 7.215 3.524 -5.193 1.00 0.00 H new ATOM 0 HA LYS A 477 8.200 0.885 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.903 1.947 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.694 3.000 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.530 0.911 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.542 -0.049 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.517 1.309 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.536 2.121 -9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.148 -0.235 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.844 -0.848 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.581 -0.407 -11.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.662 1.218 -10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.725 0.633 -11.934 1.00 0.00 H new