USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 75 ASN : amide:sc= -1.79 X(o=-2,f=-1.8) USER MOD Set 1.2: B 648 THR OG1 : rot 180:sc= -0.208 USER MOD Set 2.1: A 66 ASN : amide:sc= -0.748 K(o=-0.14,f=0.39) USER MOD Set 2.2: A 67 THR OG1 : rot 75:sc= 0.609 USER MOD Set 3.1: A 25 MET CE :methyl -173:sc= -4.51 (180deg=-4.3!) USER MOD Set 3.2: B 663 MET CE :methyl 147:sc= -1.92 (180deg=-5.13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.954 X(o=-0.95,f=-0.78) USER MOD Single : A 28 THR OG1 : rot 120:sc= 0.00564 USER MOD Single : A 31 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.53) USER MOD Single : A 52 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.6!) USER MOD Single : A 55 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.668 (180deg=0.406) USER MOD Single : A 73 GLN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 82:sc= 0.266 USER MOD Single : B 627 GLN : amide:sc= -0.0359 K(o=-0.036,f=-0.62) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 637 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.94) USER MOD Single : B 641 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.6!) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= -1 K(o=-1,f=-4.7!) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : B 658 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.74) USER MOD Single : B 660 ASN : amide:sc= 0.166 X(o=0.17,f=0) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 670 TYR OH : rot 118:sc= 0.022 USER MOD Single : B 671 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.24) USER MOD Single : B 673 MET CE :methyl -146:sc= -0.266 (180deg=-1.29!) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -5.651 -16.503 6.881 1.00 0.00 N ATOM 223 CA ALA A 17 -5.316 -15.259 7.566 1.00 0.00 C ATOM 224 C ALA A 17 -5.304 -14.084 6.594 1.00 0.00 C ATOM 225 O ALA A 17 -5.513 -12.937 6.990 1.00 0.00 O ATOM 226 CB ALA A 17 -3.969 -15.387 8.261 1.00 0.00 C ATOM 0 HA ALA A 17 -6.083 -15.067 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.731 -14.452 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.012 -16.195 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.198 -15.606 7.522 1.00 0.00 H new ATOM 232 N PHE A 18 -5.056 -14.376 5.322 1.00 0.00 N ATOM 233 CA PHE A 18 -5.014 -13.343 4.294 1.00 0.00 C ATOM 234 C PHE A 18 -6.276 -12.486 4.333 1.00 0.00 C ATOM 235 O PHE A 18 -6.204 -11.258 4.366 1.00 0.00 O ATOM 236 CB PHE A 18 -4.857 -13.976 2.910 1.00 0.00 C ATOM 237 CG PHE A 18 -4.356 -13.019 1.866 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.238 -12.209 1.170 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.003 -12.929 1.582 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.781 -11.328 0.209 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.539 -12.050 0.622 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.429 -11.248 -0.064 1.00 0.00 C ATOM 0 H PHE A 18 -4.881 -15.320 4.978 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.154 -12.703 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.168 -14.818 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.819 -14.377 2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.296 -12.267 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.303 -13.553 2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.479 -10.703 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.482 -11.991 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.069 -10.559 -0.813 1.00 0.00 H new ATOM 251 N ALA A 19 -7.431 -13.144 4.330 1.00 0.00 N ATOM 252 CA ALA A 19 -8.708 -12.443 4.366 1.00 0.00 C ATOM 253 C ALA A 19 -8.755 -11.445 5.518 1.00 0.00 C ATOM 254 O ALA A 19 -9.167 -10.299 5.343 1.00 0.00 O ATOM 255 CB ALA A 19 -9.854 -13.440 4.482 1.00 0.00 C ATOM 0 H ALA A 19 -7.508 -14.161 4.303 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.816 -11.888 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.802 -12.903 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.841 -14.111 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.740 -14.020 5.398 1.00 0.00 H new ATOM 261 N ALA A 20 -8.331 -11.889 6.698 1.00 0.00 N ATOM 262 CA ALA A 20 -8.323 -11.033 7.878 1.00 0.00 C ATOM 263 C ALA A 20 -7.451 -9.802 7.657 1.00 0.00 C ATOM 264 O ALA A 20 -7.810 -8.694 8.055 1.00 0.00 O ATOM 265 CB ALA A 20 -7.840 -11.814 9.091 1.00 0.00 C ATOM 0 H ALA A 20 -7.989 -12.836 6.861 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.343 -10.695 8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.839 -11.164 9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.505 -12.659 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.829 -12.180 8.909 1.00 0.00 H new ATOM 271 N LYS A 21 -6.302 -10.002 7.020 1.00 0.00 N ATOM 272 CA LYS A 21 -5.378 -8.909 6.746 1.00 0.00 C ATOM 273 C LYS A 21 -5.964 -7.946 5.718 1.00 0.00 C ATOM 274 O LYS A 21 -5.871 -6.729 5.872 1.00 0.00 O ATOM 275 CB LYS A 21 -4.041 -9.458 6.242 1.00 0.00 C ATOM 276 CG LYS A 21 -3.406 -10.470 7.180 1.00 0.00 C ATOM 277 CD LYS A 21 -2.003 -10.051 7.586 1.00 0.00 C ATOM 278 CE LYS A 21 -2.025 -9.128 8.794 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.140 -9.621 9.886 1.00 0.00 N ATOM 0 H LYS A 21 -5.989 -10.913 6.684 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.213 -8.364 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.193 -9.923 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.350 -8.628 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.025 -10.581 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.369 -11.445 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.409 -10.936 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.516 -9.547 6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.709 -8.129 8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.046 -9.041 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.183 -8.964 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.457 -10.563 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.161 -9.680 9.540 1.00 0.00 H new ATOM 289 N ALA A 22 -6.567 -8.500 4.671 1.00 0.00 N ATOM 290 CA ALA A 22 -7.172 -7.691 3.621 1.00 0.00 C ATOM 291 C ALA A 22 -8.198 -6.721 4.197 1.00 0.00 C ATOM 292 O ALA A 22 -8.163 -5.525 3.913 1.00 0.00 O ATOM 293 CB ALA A 22 -7.816 -8.583 2.571 1.00 0.00 C ATOM 0 H ALA A 22 -6.649 -9.507 4.528 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.383 -7.105 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.264 -7.964 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.058 -9.230 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.588 -9.195 3.037 1.00 0.00 H new ATOM 299 N GLY A 23 -9.111 -7.245 5.008 1.00 0.00 N ATOM 300 CA GLY A 23 -10.136 -6.413 5.609 1.00 0.00 C ATOM 301 C GLY A 23 -9.561 -5.392 6.572 1.00 0.00 C ATOM 302 O GLY A 23 -10.097 -4.293 6.717 1.00 0.00 O ATOM 0 H GLY A 23 -9.159 -8.232 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.688 -5.897 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.850 -7.045 6.137 1.00 0.00 H new ATOM 306 N LEU A 24 -8.469 -5.757 7.235 1.00 0.00 N ATOM 307 CA LEU A 24 -7.822 -4.865 8.191 1.00 0.00 C ATOM 308 C LEU A 24 -7.046 -3.765 7.473 1.00 0.00 C ATOM 309 O LEU A 24 -6.851 -2.676 8.010 1.00 0.00 O ATOM 310 CB LEU A 24 -6.881 -5.657 9.100 1.00 0.00 C ATOM 311 CG LEU A 24 -6.830 -5.215 10.563 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.291 -6.333 11.441 1.00 0.00 C ATOM 313 CD2 LEU A 24 -5.982 -3.960 10.713 1.00 0.00 C ATOM 0 H LEU A 24 -8.013 -6.663 7.128 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.598 -4.399 8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.176 -6.706 9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.874 -5.596 8.688 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.845 -4.984 10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.262 -5.999 12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.939 -7.205 11.358 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.284 -6.597 11.117 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.957 -3.661 11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.968 -4.163 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.413 -3.156 10.116 1.00 0.00 H new ATOM 324 N MET A 25 -6.608 -4.058 6.252 1.00 0.00 N ATOM 325 CA MET A 25 -5.857 -3.094 5.458 1.00 0.00 C ATOM 326 C MET A 25 -6.688 -1.841 5.196 1.00 0.00 C ATOM 327 O MET A 25 -6.291 -0.734 5.562 1.00 0.00 O ATOM 328 CB MET A 25 -5.425 -3.719 4.130 1.00 0.00 C ATOM 329 CG MET A 25 -4.829 -2.720 3.153 1.00 0.00 C ATOM 330 SD MET A 25 -3.399 -1.854 3.829 1.00 0.00 S ATOM 331 CE MET A 25 -2.243 -3.209 4.020 1.00 0.00 C ATOM 0 H MET A 25 -6.761 -4.955 5.792 1.00 0.00 H new ATOM 0 HA MET A 25 -4.969 -2.810 6.023 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.693 -4.502 4.328 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.287 -4.198 3.666 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.536 -3.240 2.241 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.591 -1.992 2.874 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.354 -2.858 4.543 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.711 -4.008 4.595 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.960 -3.587 3.038 1.00 0.00 H new ATOM 339 N ARG A 26 -7.841 -2.023 4.562 1.00 0.00 N ATOM 340 CA ARG A 26 -8.727 -0.908 4.250 1.00 0.00 C ATOM 341 C ARG A 26 -9.081 -0.127 5.512 1.00 0.00 C ATOM 342 O ARG A 26 -9.393 1.063 5.452 1.00 0.00 O ATOM 343 CB ARG A 26 -10.003 -1.415 3.575 1.00 0.00 C ATOM 344 CG ARG A 26 -9.774 -1.968 2.178 1.00 0.00 C ATOM 345 CD ARG A 26 -10.555 -1.184 1.134 1.00 0.00 C ATOM 346 NE ARG A 26 -11.087 -2.050 0.085 1.00 0.00 N ATOM 347 CZ ARG A 26 -11.955 -1.642 -0.834 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.386 -0.388 -0.833 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.394 -2.489 -1.756 1.00 0.00 N ATOM 0 H ARG A 26 -8.184 -2.933 4.254 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.204 -0.241 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.448 -2.192 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.724 -0.599 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.711 -1.932 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.073 -3.016 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.376 -0.654 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.907 -0.430 0.688 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.775 -3.021 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.051 0.266 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.053 -0.077 -1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.065 -3.454 -1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.061 -2.175 -2.461 1.00 0.00 H new ATOM 360 N HIS A 27 -9.032 -0.804 6.655 1.00 0.00 N ATOM 361 CA HIS A 27 -9.349 -0.174 7.931 1.00 0.00 C ATOM 362 C HIS A 27 -8.286 0.854 8.308 1.00 0.00 C ATOM 363 O HIS A 27 -8.582 1.862 8.950 1.00 0.00 O ATOM 364 CB HIS A 27 -9.465 -1.231 9.031 1.00 0.00 C ATOM 365 CG HIS A 27 -10.039 -0.703 10.310 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.740 0.482 10.388 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.015 -1.208 11.565 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.120 0.684 11.636 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.694 -0.327 12.372 1.00 0.00 N ATOM 0 H HIS A 27 -8.776 -1.789 6.723 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.305 0.339 7.827 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.089 -2.050 8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.477 -1.647 9.230 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.549 -2.132 11.875 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.684 1.532 11.995 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.844 -0.436 13.375 1.00 0.00 H new ATOM 376 N THR A 28 -7.047 0.593 7.904 1.00 0.00 N ATOM 377 CA THR A 28 -5.941 1.493 8.200 1.00 0.00 C ATOM 378 C THR A 28 -6.065 2.794 7.414 1.00 0.00 C ATOM 379 O THR A 28 -5.820 3.877 7.946 1.00 0.00 O ATOM 380 CB THR A 28 -4.583 0.841 7.879 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.622 -0.553 8.203 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.461 1.516 8.653 1.00 0.00 C ATOM 0 H THR A 28 -6.785 -0.236 7.370 1.00 0.00 H new ATOM 0 HA THR A 28 -5.988 1.710 9.267 1.00 0.00 H new ATOM 0 HB THR A 28 -4.390 0.961 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.449 -1.081 7.396 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.512 1.038 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.416 2.571 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.650 1.423 9.723 1.00 0.00 H new ATOM 390 N ILE A 29 -6.447 2.680 6.146 1.00 0.00 N ATOM 391 CA ILE A 29 -6.605 3.847 5.289 1.00 0.00 C ATOM 392 C ILE A 29 -7.855 4.638 5.660 1.00 0.00 C ATOM 393 O ILE A 29 -7.799 5.850 5.863 1.00 0.00 O ATOM 394 CB ILE A 29 -6.688 3.448 3.803 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.396 2.753 3.367 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.955 4.671 2.940 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.394 1.263 3.625 1.00 0.00 C ATOM 0 H ILE A 29 -6.653 1.791 5.690 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.724 4.471 5.442 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.515 2.750 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.240 2.929 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.555 3.205 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.011 4.372 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.899 5.128 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.147 5.391 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.448 0.837 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.519 1.078 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.214 0.798 3.078 1.00 0.00 H new ATOM 408 N GLY A 30 -8.984 3.941 5.752 1.00 0.00 N ATOM 409 CA GLY A 30 -10.232 4.594 6.101 1.00 0.00 C ATOM 410 C GLY A 30 -10.129 5.392 7.386 1.00 0.00 C ATOM 411 O GLY A 30 -10.592 6.530 7.456 1.00 0.00 O ATOM 0 H GLY A 30 -9.056 2.936 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.532 5.256 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.015 3.843 6.205 1.00 0.00 H new ATOM 415 N GLN A 31 -9.521 4.793 8.406 1.00 0.00 N ATOM 416 CA GLN A 31 -9.361 5.455 9.695 1.00 0.00 C ATOM 417 C GLN A 31 -8.305 6.553 9.616 1.00 0.00 C ATOM 418 O GLN A 31 -8.415 7.582 10.280 1.00 0.00 O ATOM 419 CB GLN A 31 -8.977 4.438 10.771 1.00 0.00 C ATOM 420 CG GLN A 31 -10.170 3.730 11.393 1.00 0.00 C ATOM 421 CD GLN A 31 -11.059 4.670 12.185 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.572 5.559 12.884 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.368 4.477 12.080 1.00 0.00 N ATOM 0 H GLN A 31 -9.132 3.851 8.364 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.314 5.912 9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.311 3.694 10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.417 4.946 11.556 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.758 3.257 10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.815 2.934 12.048 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.727 3.728 11.489 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.015 5.078 12.591 1.00 0.00 H new ATOM 430 N ALA A 32 -7.281 6.324 8.800 1.00 0.00 N ATOM 431 CA ALA A 32 -6.206 7.294 8.633 1.00 0.00 C ATOM 432 C ALA A 32 -6.701 8.544 7.913 1.00 0.00 C ATOM 433 O ALA A 32 -6.182 9.639 8.124 1.00 0.00 O ATOM 434 CB ALA A 32 -5.045 6.669 7.875 1.00 0.00 C ATOM 0 H ALA A 32 -7.174 5.475 8.245 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.860 7.591 9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.249 7.405 7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.667 5.811 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.386 6.343 6.892 1.00 0.00 H new ATOM 440 N GLU A 33 -7.706 8.371 7.060 1.00 0.00 N ATOM 441 CA GLU A 33 -8.269 9.486 6.307 1.00 0.00 C ATOM 442 C GLU A 33 -8.970 10.471 7.237 1.00 0.00 C ATOM 443 O GLU A 33 -8.983 11.676 6.984 1.00 0.00 O ATOM 444 CB GLU A 33 -9.252 8.973 5.253 1.00 0.00 C ATOM 445 CG GLU A 33 -9.198 9.742 3.944 1.00 0.00 C ATOM 446 CD GLU A 33 -9.808 8.972 2.789 1.00 0.00 C ATOM 447 OE1 GLU A 33 -11.045 9.025 2.628 1.00 0.00 O ATOM 448 OE2 GLU A 33 -9.047 8.317 2.046 1.00 0.00 O ATOM 0 H GLU A 33 -8.147 7.470 6.873 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.451 10.005 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.044 7.921 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.264 9.028 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.724 10.690 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.160 9.980 3.709 1.00 0.00 H new ATOM 658 N PHE A 51 -3.289 20.408 -0.111 1.00 0.00 N ATOM 659 CA PHE A 51 -3.938 19.235 0.464 1.00 0.00 C ATOM 660 C PHE A 51 -4.590 18.387 -0.624 1.00 0.00 C ATOM 661 O PHE A 51 -4.620 17.160 -0.533 1.00 0.00 O ATOM 662 CB PHE A 51 -4.988 19.661 1.492 1.00 0.00 C ATOM 663 CG PHE A 51 -5.828 18.522 1.997 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.236 17.379 2.508 1.00 0.00 C ATOM 665 CD2 PHE A 51 -7.211 18.596 1.959 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.006 16.330 2.973 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.987 17.551 2.423 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.384 16.416 2.930 1.00 0.00 C ATOM 0 HA PHE A 51 -3.176 18.634 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.487 20.135 2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.639 20.412 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.159 17.307 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.688 19.480 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.531 15.445 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.064 17.621 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.989 15.598 3.292 1.00 0.00 H new ATOM 677 N GLN A 52 -5.111 19.050 -1.650 1.00 0.00 N ATOM 678 CA GLN A 52 -5.765 18.358 -2.755 1.00 0.00 C ATOM 679 C GLN A 52 -4.801 17.395 -3.440 1.00 0.00 C ATOM 680 O GLN A 52 -5.093 16.208 -3.585 1.00 0.00 O ATOM 681 CB GLN A 52 -6.304 19.367 -3.770 1.00 0.00 C ATOM 682 CG GLN A 52 -6.768 18.732 -5.072 1.00 0.00 C ATOM 683 CD GLN A 52 -8.158 19.183 -5.478 1.00 0.00 C ATOM 684 OE1 GLN A 52 -8.633 20.233 -5.045 1.00 0.00 O ATOM 685 NE2 GLN A 52 -8.817 18.390 -6.315 1.00 0.00 N ATOM 0 H GLN A 52 -5.093 20.066 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.597 17.783 -2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.137 19.910 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.527 20.100 -3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.063 18.981 -5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.758 17.647 -4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.384 17.529 -6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.756 18.642 -6.624 1.00 0.00 H new ATOM 692 N ALA A 53 -3.651 17.913 -3.859 1.00 0.00 N ATOM 693 CA ALA A 53 -2.643 17.099 -4.526 1.00 0.00 C ATOM 694 C ALA A 53 -2.322 15.848 -3.715 1.00 0.00 C ATOM 695 O ALA A 53 -2.215 14.752 -4.262 1.00 0.00 O ATOM 696 CB ALA A 53 -1.382 17.914 -4.767 1.00 0.00 C ATOM 0 H ALA A 53 -3.394 18.894 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.046 16.782 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.638 17.293 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.618 18.773 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.985 18.261 -3.813 1.00 0.00 H new ATOM 702 N ALA A 54 -2.169 16.022 -2.406 1.00 0.00 N ATOM 703 CA ALA A 54 -1.861 14.907 -1.519 1.00 0.00 C ATOM 704 C ALA A 54 -3.026 13.925 -1.447 1.00 0.00 C ATOM 705 O ALA A 54 -2.828 12.709 -1.466 1.00 0.00 O ATOM 706 CB ALA A 54 -1.513 15.419 -0.129 1.00 0.00 C ATOM 0 H ALA A 54 -2.253 16.924 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.999 14.378 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.285 14.576 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.645 16.075 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.359 15.973 0.277 1.00 0.00 H new ATOM 712 N HIS A 55 -4.240 14.459 -1.362 1.00 0.00 N ATOM 713 CA HIS A 55 -5.437 13.629 -1.286 1.00 0.00 C ATOM 714 C HIS A 55 -5.574 12.759 -2.532 1.00 0.00 C ATOM 715 O HIS A 55 -5.905 11.577 -2.443 1.00 0.00 O ATOM 716 CB HIS A 55 -6.680 14.503 -1.120 1.00 0.00 C ATOM 717 CG HIS A 55 -7.954 13.721 -1.026 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.709 13.647 0.125 1.00 0.00 N ATOM 719 CD2 HIS A 55 -8.606 12.978 -1.950 1.00 0.00 C ATOM 720 CE1 HIS A 55 -9.769 12.891 -0.094 1.00 0.00 C ATOM 721 NE2 HIS A 55 -9.731 12.472 -1.346 1.00 0.00 N ATOM 0 H HIS A 55 -4.421 15.463 -1.344 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.343 12.977 -0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.569 15.111 -0.222 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.746 15.190 -1.964 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.299 12.813 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.537 12.655 0.628 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.424 11.871 -1.792 1.00 0.00 H new ATOM 728 N ALA A 56 -5.319 13.353 -3.694 1.00 0.00 N ATOM 729 CA ALA A 56 -5.412 12.633 -4.957 1.00 0.00 C ATOM 730 C ALA A 56 -4.272 11.631 -5.105 1.00 0.00 C ATOM 731 O ALA A 56 -4.429 10.585 -5.736 1.00 0.00 O ATOM 732 CB ALA A 56 -5.413 13.610 -6.123 1.00 0.00 C ATOM 0 H ALA A 56 -5.046 14.332 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.350 12.078 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.483 13.058 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.266 14.282 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.491 14.191 -6.112 1.00 0.00 H new ATOM 738 N ARG A 57 -3.124 11.958 -4.519 1.00 0.00 N ATOM 739 CA ARG A 57 -1.957 11.087 -4.587 1.00 0.00 C ATOM 740 C ARG A 57 -2.201 9.790 -3.822 1.00 0.00 C ATOM 741 O ARG A 57 -1.705 8.729 -4.204 1.00 0.00 O ATOM 742 CB ARG A 57 -0.728 11.801 -4.020 1.00 0.00 C ATOM 743 CG ARG A 57 0.050 12.590 -5.061 1.00 0.00 C ATOM 744 CD ARG A 57 1.437 12.960 -4.557 1.00 0.00 C ATOM 745 NE ARG A 57 2.434 12.922 -5.623 1.00 0.00 N ATOM 746 CZ ARG A 57 3.701 13.287 -5.457 1.00 0.00 C ATOM 747 NH1 ARG A 57 4.122 13.714 -4.275 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.549 13.225 -6.476 1.00 0.00 N ATOM 0 H ARG A 57 -2.978 12.819 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.778 10.843 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.045 12.477 -3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.066 11.063 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.138 12.001 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.499 13.496 -5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.410 13.959 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.729 12.273 -3.763 1.00 0.00 H new ATOM 0 HE ARG A 57 2.142 12.598 -6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.473 13.763 -3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.095 13.993 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.228 12.897 -7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.521 13.505 -6.348 1.00 0.00 H new ATOM 759 N PHE A 58 -2.968 9.881 -2.740 1.00 0.00 N ATOM 760 CA PHE A 58 -3.277 8.715 -1.921 1.00 0.00 C ATOM 761 C PHE A 58 -4.226 7.772 -2.654 1.00 0.00 C ATOM 762 O PHE A 58 -3.937 6.586 -2.819 1.00 0.00 O ATOM 763 CB PHE A 58 -3.897 9.150 -0.591 1.00 0.00 C ATOM 764 CG PHE A 58 -3.857 8.083 0.465 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.561 6.900 0.301 1.00 0.00 C ATOM 766 CD2 PHE A 58 -3.118 8.262 1.623 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.526 5.916 1.271 1.00 0.00 C ATOM 768 CE2 PHE A 58 -3.079 7.282 2.597 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.785 6.108 2.421 1.00 0.00 C ATOM 0 H PHE A 58 -3.387 10.751 -2.410 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.346 8.183 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.371 10.032 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.933 9.444 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.144 6.745 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.565 9.179 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.077 4.998 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.497 7.434 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.758 5.341 3.181 1.00 0.00 H new ATOM 778 N VAL A 59 -5.362 8.306 -3.089 1.00 0.00 N ATOM 779 CA VAL A 59 -6.354 7.513 -3.805 1.00 0.00 C ATOM 780 C VAL A 59 -5.739 6.826 -5.019 1.00 0.00 C ATOM 781 O VAL A 59 -6.124 5.714 -5.377 1.00 0.00 O ATOM 782 CB VAL A 59 -7.539 8.382 -4.267 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.041 9.636 -4.969 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.463 7.584 -5.176 1.00 0.00 C ATOM 0 H VAL A 59 -5.619 9.285 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.716 6.757 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.106 8.688 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.893 10.237 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.424 10.216 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.449 9.355 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.294 8.214 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.909 7.247 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.848 6.720 -4.635 1.00 0.00 H new ATOM 794 N ALA A 60 -4.780 7.498 -5.648 1.00 0.00 N ATOM 795 CA ALA A 60 -4.109 6.951 -6.820 1.00 0.00 C ATOM 796 C ALA A 60 -3.363 5.665 -6.477 1.00 0.00 C ATOM 797 O ALA A 60 -3.410 4.690 -7.227 1.00 0.00 O ATOM 798 CB ALA A 60 -3.150 7.977 -7.407 1.00 0.00 C ATOM 0 H ALA A 60 -4.451 8.421 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.870 6.712 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.656 7.554 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.705 8.869 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.401 8.244 -6.661 1.00 0.00 H new ATOM 804 N ALA A 61 -2.676 5.671 -5.339 1.00 0.00 N ATOM 805 CA ALA A 61 -1.922 4.505 -4.896 1.00 0.00 C ATOM 806 C ALA A 61 -2.841 3.466 -4.262 1.00 0.00 C ATOM 807 O ALA A 61 -2.649 2.264 -4.438 1.00 0.00 O ATOM 808 CB ALA A 61 -0.836 4.921 -3.915 1.00 0.00 C ATOM 0 H ALA A 61 -2.626 6.470 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.453 4.052 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.281 4.040 -3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.156 5.621 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.292 5.400 -3.049 1.00 0.00 H new ATOM 814 N ALA A 62 -3.840 3.939 -3.523 1.00 0.00 N ATOM 815 CA ALA A 62 -4.788 3.050 -2.863 1.00 0.00 C ATOM 816 C ALA A 62 -5.416 2.080 -3.859 1.00 0.00 C ATOM 817 O ALA A 62 -5.653 0.915 -3.541 1.00 0.00 O ATOM 818 CB ALA A 62 -5.868 3.858 -2.160 1.00 0.00 C ATOM 0 H ALA A 62 -4.013 4.932 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.244 2.467 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.569 3.181 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.409 4.506 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.401 4.467 -2.891 1.00 0.00 H new ATOM 824 N ALA A 63 -5.683 2.569 -5.066 1.00 0.00 N ATOM 825 CA ALA A 63 -6.281 1.745 -6.108 1.00 0.00 C ATOM 826 C ALA A 63 -5.363 0.589 -6.490 1.00 0.00 C ATOM 827 O ALA A 63 -5.808 -0.549 -6.639 1.00 0.00 O ATOM 828 CB ALA A 63 -6.602 2.592 -7.331 1.00 0.00 C ATOM 0 H ALA A 63 -5.494 3.532 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.207 1.324 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.048 1.964 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.303 3.380 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.685 3.040 -7.714 1.00 0.00 H new ATOM 834 N LYS A 64 -4.077 0.888 -6.648 1.00 0.00 N ATOM 835 CA LYS A 64 -3.095 -0.126 -7.012 1.00 0.00 C ATOM 836 C LYS A 64 -3.011 -1.211 -5.943 1.00 0.00 C ATOM 837 O LYS A 64 -3.129 -2.399 -6.240 1.00 0.00 O ATOM 838 CB LYS A 64 -1.720 0.516 -7.212 1.00 0.00 C ATOM 839 CG LYS A 64 -0.924 -0.094 -8.353 1.00 0.00 C ATOM 840 CD LYS A 64 -0.870 -1.610 -8.247 1.00 0.00 C ATOM 841 CE LYS A 64 0.124 -2.202 -9.233 1.00 0.00 C ATOM 842 NZ LYS A 64 1.528 -1.840 -8.892 1.00 0.00 N ATOM 0 H LYS A 64 -3.691 1.825 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.414 -0.587 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.850 1.582 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.147 0.422 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.374 0.189 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.089 0.308 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.592 -1.895 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.861 -2.024 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.022 -3.287 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.108 -1.849 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.182 -2.383 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.673 -0.823 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.711 -2.061 -7.892 1.00 0.00 H new ATOM 852 N VAL A 65 -2.808 -0.792 -4.698 1.00 0.00 N ATOM 853 CA VAL A 65 -2.711 -1.729 -3.583 1.00 0.00 C ATOM 854 C VAL A 65 -4.031 -2.457 -3.361 1.00 0.00 C ATOM 855 O VAL A 65 -4.052 -3.609 -2.929 1.00 0.00 O ATOM 856 CB VAL A 65 -2.306 -1.012 -2.281 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.311 0.078 -1.939 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.181 -2.011 -1.141 1.00 0.00 C ATOM 0 H VAL A 65 -2.708 0.189 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.940 -2.454 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.334 -0.543 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.010 0.574 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.347 0.807 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.298 -0.366 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.894 -1.488 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.138 -2.510 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.421 -2.752 -1.388 1.00 0.00 H new ATOM 868 N ASN A 66 -5.133 -1.777 -3.660 1.00 0.00 N ATOM 869 CA ASN A 66 -6.460 -2.359 -3.493 1.00 0.00 C ATOM 870 C ASN A 66 -6.714 -3.444 -4.534 1.00 0.00 C ATOM 871 O ASN A 66 -7.064 -4.576 -4.197 1.00 0.00 O ATOM 872 CB ASN A 66 -7.534 -1.274 -3.598 1.00 0.00 C ATOM 873 CG ASN A 66 -8.885 -1.834 -3.999 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.700 -2.186 -3.146 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.128 -1.920 -5.301 1.00 0.00 N ATOM 0 H ASN A 66 -5.133 -0.822 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.507 -2.812 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.626 -0.763 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.222 -0.527 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.020 -2.290 -5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.423 -1.616 -5.973 1.00 0.00 H new ATOM 881 N THR A 67 -6.533 -3.092 -5.804 1.00 0.00 N ATOM 882 CA THR A 67 -6.742 -4.035 -6.896 1.00 0.00 C ATOM 883 C THR A 67 -5.924 -5.304 -6.690 1.00 0.00 C ATOM 884 O THR A 67 -6.436 -6.415 -6.834 1.00 0.00 O ATOM 885 CB THR A 67 -6.370 -3.412 -8.254 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.196 -2.272 -8.514 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.528 -4.427 -9.376 1.00 0.00 C ATOM 0 H THR A 67 -6.242 -2.161 -6.101 1.00 0.00 H new ATOM 0 HA THR A 67 -7.803 -4.287 -6.899 1.00 0.00 H new ATOM 0 HB THR A 67 -5.326 -3.100 -8.212 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.900 -1.520 -7.960 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.260 -3.964 -10.326 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.875 -5.279 -9.190 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.563 -4.766 -9.417 1.00 0.00 H new ATOM 895 N LEU A 68 -4.651 -5.134 -6.352 1.00 0.00 N ATOM 896 CA LEU A 68 -3.761 -6.267 -6.125 1.00 0.00 C ATOM 897 C LEU A 68 -4.254 -7.123 -4.962 1.00 0.00 C ATOM 898 O LEU A 68 -4.192 -8.352 -5.011 1.00 0.00 O ATOM 899 CB LEU A 68 -2.339 -5.778 -5.846 1.00 0.00 C ATOM 900 CG LEU A 68 -1.625 -5.092 -7.011 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.373 -4.377 -6.524 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.277 -6.102 -8.093 1.00 0.00 C ATOM 0 H LEU A 68 -4.212 -4.222 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.757 -6.879 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.373 -5.083 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.738 -6.631 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.299 -4.350 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.122 -3.895 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.648 -3.624 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.305 -5.099 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.769 -5.595 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.621 -6.868 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.190 -6.568 -8.463 1.00 0.00 H new ATOM 913 N LEU A 69 -4.745 -6.465 -3.918 1.00 0.00 N ATOM 914 CA LEU A 69 -5.252 -7.165 -2.742 1.00 0.00 C ATOM 915 C LEU A 69 -6.348 -8.153 -3.128 1.00 0.00 C ATOM 916 O LEU A 69 -6.354 -9.297 -2.673 1.00 0.00 O ATOM 917 CB LEU A 69 -5.789 -6.162 -1.720 1.00 0.00 C ATOM 918 CG LEU A 69 -5.262 -6.310 -0.293 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.862 -5.245 0.612 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.564 -7.702 0.246 1.00 0.00 C ATOM 0 H LEU A 69 -4.803 -5.448 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.428 -7.722 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.555 -5.157 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.875 -6.246 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.181 -6.175 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.475 -5.367 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.595 -4.257 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.947 -5.347 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.182 -7.789 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.642 -7.865 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.085 -8.449 -0.387 1.00 0.00 H new ATOM 931 N ASP A 70 -7.273 -7.705 -3.969 1.00 0.00 N ATOM 932 CA ASP A 70 -8.372 -8.551 -4.419 1.00 0.00 C ATOM 933 C ASP A 70 -7.864 -9.665 -5.328 1.00 0.00 C ATOM 934 O ASP A 70 -8.202 -10.834 -5.144 1.00 0.00 O ATOM 935 CB ASP A 70 -9.421 -7.714 -5.153 1.00 0.00 C ATOM 936 CG ASP A 70 -10.762 -8.415 -5.243 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.415 -8.582 -4.192 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.158 -8.796 -6.365 1.00 0.00 O ATOM 0 H ASP A 70 -7.284 -6.760 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.831 -9.005 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.546 -6.761 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.064 -7.489 -6.158 1.00 0.00 H new ATOM 942 N VAL A 71 -7.050 -9.294 -6.312 1.00 0.00 N ATOM 943 CA VAL A 71 -6.495 -10.262 -7.252 1.00 0.00 C ATOM 944 C VAL A 71 -5.775 -11.388 -6.518 1.00 0.00 C ATOM 945 O VAL A 71 -5.768 -12.532 -6.970 1.00 0.00 O ATOM 946 CB VAL A 71 -5.515 -9.592 -8.232 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.934 -10.621 -9.192 1.00 0.00 C ATOM 948 CG2 VAL A 71 -6.206 -8.471 -8.994 1.00 0.00 C ATOM 0 H VAL A 71 -6.760 -8.330 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.332 -10.676 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.695 -9.159 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.243 -10.130 -9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.402 -11.386 -8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.740 -11.085 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.498 -8.009 -9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.046 -8.878 -9.557 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.569 -7.722 -8.290 1.00 0.00 H new ATOM 958 N ALA A 72 -5.169 -11.054 -5.383 1.00 0.00 N ATOM 959 CA ALA A 72 -4.447 -12.038 -4.585 1.00 0.00 C ATOM 960 C ALA A 72 -5.369 -13.171 -4.144 1.00 0.00 C ATOM 961 O ALA A 72 -5.046 -14.346 -4.314 1.00 0.00 O ATOM 962 CB ALA A 72 -3.811 -11.371 -3.375 1.00 0.00 C ATOM 0 H ALA A 72 -5.164 -10.110 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.660 -12.466 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.275 -12.117 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.114 -10.602 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.588 -10.915 -2.761 1.00 0.00 H new ATOM 968 N GLN A 73 -6.514 -12.808 -3.578 1.00 0.00 N ATOM 969 CA GLN A 73 -7.482 -13.795 -3.111 1.00 0.00 C ATOM 970 C GLN A 73 -8.088 -14.558 -4.284 1.00 0.00 C ATOM 971 O GLN A 73 -8.369 -15.752 -4.181 1.00 0.00 O ATOM 972 CB GLN A 73 -8.587 -13.114 -2.303 1.00 0.00 C ATOM 973 CG GLN A 73 -8.076 -12.365 -1.084 1.00 0.00 C ATOM 974 CD GLN A 73 -9.122 -12.242 0.007 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.007 -11.389 -0.059 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.026 -13.096 1.019 1.00 0.00 N ATOM 0 H GLN A 73 -6.795 -11.839 -3.431 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.960 -14.505 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.121 -12.418 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.307 -13.867 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.201 -12.879 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.751 -11.369 -1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.276 -13.787 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.702 -13.061 1.782 1.00 0.00 H new ATOM 983 N ALA A 74 -8.289 -13.861 -5.398 1.00 0.00 N ATOM 984 CA ALA A 74 -8.861 -14.474 -6.590 1.00 0.00 C ATOM 985 C ALA A 74 -7.910 -15.506 -7.186 1.00 0.00 C ATOM 986 O ALA A 74 -8.323 -16.609 -7.543 1.00 0.00 O ATOM 987 CB ALA A 74 -9.198 -13.407 -7.621 1.00 0.00 C ATOM 0 H ALA A 74 -8.064 -12.871 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.778 -14.987 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.624 -13.878 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.920 -12.708 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.291 -12.869 -7.898 1.00 0.00 H new ATOM 993 N ASN A 75 -6.637 -15.142 -7.292 1.00 0.00 N ATOM 994 CA ASN A 75 -5.628 -16.037 -7.846 1.00 0.00 C ATOM 995 C ASN A 75 -5.365 -17.208 -6.905 1.00 0.00 C ATOM 996 O ASN A 75 -5.145 -18.336 -7.347 1.00 0.00 O ATOM 997 CB ASN A 75 -4.328 -15.274 -8.108 1.00 0.00 C ATOM 998 CG ASN A 75 -4.297 -14.639 -9.485 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.397 -14.902 -10.282 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -5.283 -13.797 -9.769 1.00 0.00 N ATOM 0 H ASN A 75 -6.279 -14.232 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.005 -16.431 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.206 -14.499 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.483 -15.955 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.315 -13.338 -10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.008 -13.609 -9.077 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.387 -16.932 -5.607 1.00 0.00 N ATOM 1007 CA LEU A 76 -5.151 -17.963 -4.600 1.00 0.00 C ATOM 1008 C LEU A 76 -6.364 -18.877 -4.462 1.00 0.00 C ATOM 1009 O LEU A 76 -6.232 -20.056 -4.139 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.824 -17.321 -3.251 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.457 -16.645 -3.143 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.299 -15.975 -1.787 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.342 -17.653 -3.376 1.00 0.00 C ATOM 0 H LEU A 76 -5.566 -16.003 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.302 -18.565 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.592 -16.580 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.889 -18.089 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.391 -15.878 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.320 -15.499 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.077 -15.222 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.387 -16.723 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.377 -17.153 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.405 -18.444 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.444 -18.085 -4.371 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.547 -18.323 -4.711 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.767 -19.103 -4.611 1.00 0.00 C ATOM 1026 C GLY A 77 -9.153 -19.391 -3.173 1.00 0.00 C ATOM 1027 O GLY A 77 -10.062 -18.762 -2.631 1.00 0.00 O ATOM 0 H GLY A 77 -7.682 -17.348 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.579 -18.567 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.638 -20.044 -5.145 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.464 -20.346 -2.556 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.744 -20.718 -1.174 1.00 0.00 C ATOM 1033 C GLU A 78 -8.736 -19.489 -0.269 1.00 0.00 C ATOM 1034 O GLU A 78 -9.444 -19.441 0.737 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.716 -21.736 -0.679 1.00 0.00 C ATOM 1036 CG GLU A 78 -6.284 -21.230 -0.728 1.00 0.00 C ATOM 1037 CD GLU A 78 -5.267 -22.333 -0.505 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.355 -23.019 0.534 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -4.384 -22.509 -1.369 1.00 0.00 O ATOM 0 H GLU A 78 -7.709 -20.876 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.736 -21.168 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.959 -22.015 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.793 -22.640 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.101 -20.762 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.149 -20.458 0.030 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.928 -18.498 -0.632 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.827 -17.269 0.146 1.00 0.00 C ATOM 1046 C ALA A 79 -9.197 -16.624 0.332 1.00 0.00 C ATOM 1047 O ALA A 79 -9.463 -15.996 1.355 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.870 -16.296 -0.526 1.00 0.00 C ATOM 0 H ALA A 79 -7.333 -18.522 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.436 -17.522 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.804 -15.383 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.882 -16.751 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.237 -16.056 -1.524 1.00 0.00 H new ATOM 1533 N ALA B 620 3.272 10.955 10.664 1.00 0.00 N ATOM 1534 CA ALA B 620 4.178 9.905 10.215 1.00 0.00 C ATOM 1535 C ALA B 620 3.786 8.553 10.802 1.00 0.00 C ATOM 1536 O ALA B 620 3.887 7.523 10.136 1.00 0.00 O ATOM 1537 CB ALA B 620 5.612 10.249 10.587 1.00 0.00 C ATOM 0 HA ALA B 620 4.104 9.836 9.130 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.277 9.456 10.245 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.895 11.189 10.113 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.693 10.349 11.669 1.00 0.00 H new ATOM 1543 N GLY B 621 3.339 8.564 12.054 1.00 0.00 N ATOM 1544 CA GLY B 621 2.940 7.333 12.711 1.00 0.00 C ATOM 1545 C GLY B 621 1.881 6.578 11.932 1.00 0.00 C ATOM 1546 O GLY B 621 1.865 5.347 11.926 1.00 0.00 O ATOM 0 H GLY B 621 3.246 9.404 12.625 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.814 6.695 12.843 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.560 7.563 13.707 1.00 0.00 H new ATOM 1550 N TYR B 622 0.995 7.316 11.273 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.074 6.708 10.490 1.00 0.00 C ATOM 1552 C TYR B 622 0.482 6.033 9.240 1.00 0.00 C ATOM 1553 O TYR B 622 0.269 4.842 9.018 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.110 7.762 10.098 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.035 8.154 11.227 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -3.163 7.397 11.522 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.782 9.280 12.001 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.012 7.751 12.553 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.624 9.640 13.034 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.737 8.873 13.307 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.579 9.230 14.335 1.00 0.00 O ATOM 0 H TYR B 622 0.996 8.336 11.265 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.555 5.948 11.106 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.592 8.651 9.739 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.705 7.382 9.268 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.380 6.517 10.935 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -0.912 9.884 11.791 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.885 7.153 12.767 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.412 10.518 13.626 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.242 10.043 14.766 1.00 0.00 H new ATOM 1570 N ALA B 623 1.195 6.805 8.427 1.00 0.00 N ATOM 1571 CA ALA B 623 1.785 6.283 7.200 1.00 0.00 C ATOM 1572 C ALA B 623 2.597 5.022 7.475 1.00 0.00 C ATOM 1573 O ALA B 623 2.529 4.052 6.722 1.00 0.00 O ATOM 1574 CB ALA B 623 2.656 7.342 6.541 1.00 0.00 C ATOM 0 H ALA B 623 1.378 7.794 8.596 1.00 0.00 H new ATOM 0 HA ALA B 623 0.975 6.020 6.519 1.00 0.00 H new ATOM 0 HB1 ALA B 623 3.090 6.938 5.626 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.049 8.214 6.300 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.454 7.633 7.224 1.00 0.00 H new ATOM 1580 N GLY B 624 3.368 5.044 8.559 1.00 0.00 N ATOM 1581 CA GLY B 624 4.184 3.897 8.912 1.00 0.00 C ATOM 1582 C GLY B 624 3.363 2.637 9.099 1.00 0.00 C ATOM 1583 O GLY B 624 3.875 1.526 8.958 1.00 0.00 O ATOM 0 H GLY B 624 3.442 5.835 9.198 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.927 3.730 8.132 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.729 4.112 9.831 1.00 0.00 H new ATOM 1587 N THR B 625 2.084 2.808 9.419 1.00 0.00 N ATOM 1588 CA THR B 625 1.190 1.676 9.628 1.00 0.00 C ATOM 1589 C THR B 625 0.974 0.899 8.334 1.00 0.00 C ATOM 1590 O THR B 625 1.034 -0.332 8.320 1.00 0.00 O ATOM 1591 CB THR B 625 -0.177 2.132 10.174 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.009 3.031 11.272 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.006 0.938 10.624 1.00 0.00 C ATOM 0 H THR B 625 1.644 3.720 9.539 1.00 0.00 H new ATOM 0 HA THR B 625 1.668 1.028 10.362 1.00 0.00 H new ATOM 0 HB THR B 625 -0.711 2.643 9.373 1.00 0.00 H new ATOM 0 HG1 THR B 625 0.193 3.931 10.930 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.966 1.285 11.005 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.171 0.270 9.778 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.475 0.402 11.411 1.00 0.00 H new ATOM 1601 N LEU B 626 0.725 1.623 7.249 1.00 0.00 N ATOM 1602 CA LEU B 626 0.502 1.002 5.949 1.00 0.00 C ATOM 1603 C LEU B 626 1.781 0.356 5.426 1.00 0.00 C ATOM 1604 O LEU B 626 1.742 -0.701 4.798 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.007 2.039 4.946 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.112 2.969 5.446 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.369 4.081 4.439 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.389 2.185 5.714 1.00 0.00 C ATOM 0 H LEU B 626 0.672 2.642 7.244 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.251 0.224 6.071 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.837 2.650 4.625 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.373 1.513 4.064 1.00 0.00 H new ATOM 0 HG LEU B 626 -0.784 3.421 6.382 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.159 4.734 4.811 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -0.457 4.660 4.296 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.676 3.647 3.488 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.165 2.863 6.069 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -2.721 1.704 4.794 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.197 1.425 6.471 1.00 0.00 H new ATOM 1619 N GLN B 627 2.913 1.000 5.694 1.00 0.00 N ATOM 1620 CA GLN B 627 4.205 0.486 5.252 1.00 0.00 C ATOM 1621 C GLN B 627 4.481 -0.887 5.855 1.00 0.00 C ATOM 1622 O GLN B 627 4.924 -1.803 5.162 1.00 0.00 O ATOM 1623 CB GLN B 627 5.322 1.460 5.634 1.00 0.00 C ATOM 1624 CG GLN B 627 6.595 1.272 4.826 1.00 0.00 C ATOM 1625 CD GLN B 627 7.804 1.907 5.486 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.995 1.793 6.697 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.627 2.580 4.692 1.00 0.00 N ATOM 0 H GLN B 627 2.962 1.876 6.214 1.00 0.00 H new ATOM 0 HA GLN B 627 4.176 0.385 4.167 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.964 2.481 5.500 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.552 1.339 6.693 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.779 0.207 4.688 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.459 1.703 3.834 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.430 2.649 3.694 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.457 3.028 5.080 1.00 0.00 H new ATOM 1634 N SER B 628 4.218 -1.021 7.151 1.00 0.00 N ATOM 1635 CA SER B 628 4.443 -2.282 7.850 1.00 0.00 C ATOM 1636 C SER B 628 3.383 -3.310 7.467 1.00 0.00 C ATOM 1637 O SER B 628 3.704 -4.427 7.057 1.00 0.00 O ATOM 1638 CB SER B 628 4.432 -2.059 9.363 1.00 0.00 C ATOM 1639 OG SER B 628 4.916 -3.201 10.050 1.00 0.00 O ATOM 0 H SER B 628 3.849 -0.273 7.738 1.00 0.00 H new ATOM 0 HA SER B 628 5.420 -2.665 7.554 1.00 0.00 H new ATOM 0 HB2 SER B 628 5.047 -1.194 9.611 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.418 -1.834 9.693 1.00 0.00 H new ATOM 0 HG SER B 628 4.901 -3.033 11.015 1.00 0.00 H new ATOM 1644 N LEU B 629 2.119 -2.927 7.605 1.00 0.00 N ATOM 1645 CA LEU B 629 1.009 -3.815 7.276 1.00 0.00 C ATOM 1646 C LEU B 629 1.109 -4.297 5.831 1.00 0.00 C ATOM 1647 O LEU B 629 0.712 -5.416 5.511 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.325 -3.101 7.496 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.466 -3.961 8.038 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.758 -3.161 8.097 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -1.648 -5.207 7.182 1.00 0.00 C ATOM 0 H LEU B 629 1.837 -2.007 7.943 1.00 0.00 H new ATOM 0 HA LEU B 629 1.062 -4.682 7.935 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.161 -2.273 8.186 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.643 -2.667 6.548 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.210 -4.273 9.050 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.558 -3.791 8.485 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.623 -2.300 8.752 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.020 -2.818 7.096 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -2.465 -5.808 7.583 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.881 -4.914 6.158 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -0.729 -5.792 7.191 1.00 0.00 H new ATOM 1662 N GLY B 630 1.643 -3.444 4.963 1.00 0.00 N ATOM 1663 CA GLY B 630 1.787 -3.802 3.565 1.00 0.00 C ATOM 1664 C GLY B 630 2.601 -5.066 3.370 1.00 0.00 C ATOM 1665 O GLY B 630 2.194 -5.968 2.639 1.00 0.00 O ATOM 0 H GLY B 630 1.978 -2.511 5.203 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.799 -3.938 3.125 1.00 0.00 H new ATOM 0 HA3 GLY B 630 2.264 -2.981 3.030 1.00 0.00 H new ATOM 1669 N ALA B 631 3.756 -5.130 4.024 1.00 0.00 N ATOM 1670 CA ALA B 631 4.629 -6.293 3.920 1.00 0.00 C ATOM 1671 C ALA B 631 3.958 -7.536 4.493 1.00 0.00 C ATOM 1672 O ALA B 631 4.183 -8.648 4.017 1.00 0.00 O ATOM 1673 CB ALA B 631 5.948 -6.027 4.631 1.00 0.00 C ATOM 0 H ALA B 631 4.109 -4.390 4.631 1.00 0.00 H new ATOM 0 HA ALA B 631 4.828 -6.474 2.864 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.591 -6.903 4.546 1.00 0.00 H new ATOM 0 HB2 ALA B 631 6.441 -5.169 4.174 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.758 -5.817 5.684 1.00 0.00 H new ATOM 1679 N GLU B 632 3.134 -7.340 5.517 1.00 0.00 N ATOM 1680 CA GLU B 632 2.432 -8.447 6.155 1.00 0.00 C ATOM 1681 C GLU B 632 1.614 -9.233 5.135 1.00 0.00 C ATOM 1682 O GLU B 632 1.571 -10.463 5.173 1.00 0.00 O ATOM 1683 CB GLU B 632 1.517 -7.927 7.267 1.00 0.00 C ATOM 1684 CG GLU B 632 2.248 -7.119 8.327 1.00 0.00 C ATOM 1685 CD GLU B 632 1.457 -6.999 9.616 1.00 0.00 C ATOM 1686 OE1 GLU B 632 0.228 -6.787 9.540 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.066 -7.118 10.699 1.00 0.00 O ATOM 0 H GLU B 632 2.936 -6.425 5.922 1.00 0.00 H new ATOM 0 HA GLU B 632 3.177 -9.114 6.589 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.736 -7.308 6.824 1.00 0.00 H new ATOM 0 HB3 GLU B 632 1.022 -8.773 7.744 1.00 0.00 H new ATOM 0 HG2 GLU B 632 3.209 -7.587 8.537 1.00 0.00 H new ATOM 0 HG3 GLU B 632 2.457 -6.122 7.939 1.00 0.00 H new ATOM 1692 N ILE B 633 0.965 -8.514 4.225 1.00 0.00 N ATOM 1693 CA ILE B 633 0.149 -9.143 3.194 1.00 0.00 C ATOM 1694 C ILE B 633 1.019 -9.812 2.136 1.00 0.00 C ATOM 1695 O ILE B 633 0.676 -10.873 1.615 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.778 -8.121 2.509 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.691 -7.455 3.540 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.602 -8.799 1.424 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.432 -6.251 3.004 1.00 0.00 C ATOM 0 H ILE B 633 0.989 -7.495 4.181 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.460 -9.898 3.691 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.164 -7.350 2.044 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.415 -8.187 3.898 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.093 -7.151 4.399 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.252 -8.065 0.949 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.936 -9.231 0.677 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.209 -9.588 1.868 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.060 -5.831 3.790 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.715 -5.500 2.672 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.057 -6.553 2.163 1.00 0.00 H new ATOM 1710 N ALA B 634 2.149 -9.185 1.825 1.00 0.00 N ATOM 1711 CA ALA B 634 3.072 -9.722 0.831 1.00 0.00 C ATOM 1712 C ALA B 634 3.724 -11.008 1.327 1.00 0.00 C ATOM 1713 O ALA B 634 4.087 -11.878 0.535 1.00 0.00 O ATOM 1714 CB ALA B 634 4.134 -8.689 0.484 1.00 0.00 C ATOM 0 H ALA B 634 2.448 -8.305 2.246 1.00 0.00 H new ATOM 0 HA ALA B 634 2.503 -9.957 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.816 -9.103 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.656 -7.797 0.080 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.693 -8.426 1.382 1.00 0.00 H new ATOM 1720 N VAL B 635 3.872 -11.122 2.644 1.00 0.00 N ATOM 1721 CA VAL B 635 4.481 -12.303 3.244 1.00 0.00 C ATOM 1722 C VAL B 635 3.518 -13.484 3.234 1.00 0.00 C ATOM 1723 O VAL B 635 3.934 -14.636 3.112 1.00 0.00 O ATOM 1724 CB VAL B 635 4.924 -12.029 4.694 1.00 0.00 C ATOM 1725 CG1 VAL B 635 5.529 -13.280 5.314 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.911 -10.872 4.739 1.00 0.00 C ATOM 0 H VAL B 635 3.579 -10.411 3.314 1.00 0.00 H new ATOM 0 HA VAL B 635 5.357 -12.548 2.643 1.00 0.00 H new ATOM 0 HB VAL B 635 4.046 -11.752 5.277 1.00 0.00 H new ATOM 0 HG11 VAL B 635 5.836 -13.067 6.338 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.788 -14.080 5.316 1.00 0.00 H new ATOM 0 HG13 VAL B 635 6.397 -13.591 4.733 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.214 -10.692 5.771 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.788 -11.119 4.141 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.439 -9.975 4.337 1.00 0.00 H new ATOM 1736 N GLU B 636 2.227 -13.190 3.362 1.00 0.00 N ATOM 1737 CA GLU B 636 1.205 -14.229 3.368 1.00 0.00 C ATOM 1738 C GLU B 636 1.101 -14.898 2.000 1.00 0.00 C ATOM 1739 O GLU B 636 1.155 -16.122 1.892 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.151 -13.639 3.763 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.258 -13.295 5.239 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.102 -14.509 6.134 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.719 -15.552 5.833 1.00 0.00 O ATOM 1744 OE2 GLU B 636 0.638 -14.416 7.136 1.00 0.00 O ATOM 0 H GLU B 636 1.865 -12.242 3.463 1.00 0.00 H new ATOM 0 HA GLU B 636 1.494 -14.982 4.101 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.332 -12.739 3.175 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.936 -14.350 3.506 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.506 -12.560 5.493 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.225 -12.829 5.430 1.00 0.00 H new ATOM 1749 N GLN B 637 0.952 -14.084 0.960 1.00 0.00 N ATOM 1750 CA GLN B 637 0.840 -14.597 -0.401 1.00 0.00 C ATOM 1751 C GLN B 637 2.127 -15.294 -0.827 1.00 0.00 C ATOM 1752 O GLN B 637 2.103 -16.221 -1.636 1.00 0.00 O ATOM 1753 CB GLN B 637 0.514 -13.460 -1.371 1.00 0.00 C ATOM 1754 CG GLN B 637 1.698 -12.550 -1.660 1.00 0.00 C ATOM 1755 CD GLN B 637 2.424 -12.924 -2.936 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.800 -13.232 -3.952 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.751 -12.898 -2.892 1.00 0.00 N ATOM 0 H GLN B 637 0.906 -13.068 1.033 1.00 0.00 H new ATOM 0 HA GLN B 637 0.030 -15.326 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.155 -13.885 -2.309 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.300 -12.864 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.350 -11.520 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.396 -12.592 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.228 -12.637 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.294 -13.139 -3.721 1.00 0.00 H new ATOM 1764 N ALA B 638 3.249 -14.841 -0.279 1.00 0.00 N ATOM 1765 CA ALA B 638 4.546 -15.422 -0.602 1.00 0.00 C ATOM 1766 C ALA B 638 4.635 -16.866 -0.121 1.00 0.00 C ATOM 1767 O ALA B 638 5.403 -17.664 -0.660 1.00 0.00 O ATOM 1768 CB ALA B 638 5.664 -14.590 0.008 1.00 0.00 C ATOM 0 H ALA B 638 3.286 -14.073 0.391 1.00 0.00 H new ATOM 0 HA ALA B 638 4.658 -15.420 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.627 -15.036 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.620 -13.575 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.547 -14.562 1.091 1.00 0.00 H new ATOM 1774 N ALA B 639 3.847 -17.196 0.897 1.00 0.00 N ATOM 1775 CA ALA B 639 3.837 -18.545 1.450 1.00 0.00 C ATOM 1776 C ALA B 639 2.922 -19.461 0.644 1.00 0.00 C ATOM 1777 O ALA B 639 3.103 -20.679 0.630 1.00 0.00 O ATOM 1778 CB ALA B 639 3.405 -18.514 2.909 1.00 0.00 C ATOM 0 H ALA B 639 3.207 -16.548 1.356 1.00 0.00 H new ATOM 0 HA ALA B 639 4.850 -18.943 1.391 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.402 -19.528 3.309 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.100 -17.900 3.481 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.403 -18.092 2.983 1.00 0.00 H new ATOM 1784 N LEU B 640 1.939 -18.869 -0.024 1.00 0.00 N ATOM 1785 CA LEU B 640 0.994 -19.632 -0.833 1.00 0.00 C ATOM 1786 C LEU B 640 1.312 -19.493 -2.318 1.00 0.00 C ATOM 1787 O LEU B 640 0.432 -19.639 -3.165 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.436 -19.165 -0.559 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.758 -18.804 0.892 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.108 -18.110 0.983 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.736 -20.047 1.768 1.00 0.00 C ATOM 0 H LEU B 640 1.775 -17.862 -0.022 1.00 0.00 H new ATOM 0 HA LEU B 640 1.084 -20.683 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.638 -18.294 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.121 -19.951 -0.877 1.00 0.00 H new ATOM 0 HG LEU B 640 0.006 -18.116 1.253 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.320 -17.861 2.023 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.089 -17.197 0.388 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.885 -18.774 0.604 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.967 -19.771 2.797 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.478 -20.759 1.408 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.253 -20.503 1.728 1.00 0.00 H new ATOM 1802 N GLN B 641 2.574 -19.212 -2.624 1.00 0.00 N ATOM 1803 CA GLN B 641 3.007 -19.055 -4.008 1.00 0.00 C ATOM 1804 C GLN B 641 2.583 -20.253 -4.850 1.00 0.00 C ATOM 1805 O GLN B 641 2.028 -20.095 -5.937 1.00 0.00 O ATOM 1806 CB GLN B 641 4.526 -18.883 -4.072 1.00 0.00 C ATOM 1807 CG GLN B 641 5.010 -17.547 -3.534 1.00 0.00 C ATOM 1808 CD GLN B 641 4.939 -16.440 -4.567 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.822 -16.310 -5.416 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.886 -15.634 -4.501 1.00 0.00 N ATOM 0 H GLN B 641 3.314 -19.088 -1.933 1.00 0.00 H new ATOM 0 HA GLN B 641 2.530 -18.163 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.998 -19.686 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.852 -18.988 -5.107 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.409 -17.269 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.039 -17.650 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.178 -15.778 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.785 -14.871 -5.170 1.00 0.00 H new ATOM 1817 N SER B 642 2.849 -21.452 -4.341 1.00 0.00 N ATOM 1818 CA SER B 642 2.499 -22.677 -5.049 1.00 0.00 C ATOM 1819 C SER B 642 1.002 -22.731 -5.334 1.00 0.00 C ATOM 1820 O SER B 642 0.562 -23.378 -6.285 1.00 0.00 O ATOM 1821 CB SER B 642 2.919 -23.901 -4.232 1.00 0.00 C ATOM 1822 OG SER B 642 4.252 -24.280 -4.528 1.00 0.00 O ATOM 0 H SER B 642 3.306 -21.601 -3.441 1.00 0.00 H new ATOM 0 HA SER B 642 3.032 -22.683 -6.000 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.828 -23.681 -3.168 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.246 -24.732 -4.444 1.00 0.00 H new ATOM 0 HG SER B 642 4.496 -25.063 -3.992 1.00 0.00 H new ATOM 1827 N ALA B 643 0.222 -22.048 -4.503 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.226 -22.015 -4.665 1.00 0.00 C ATOM 1829 C ALA B 643 -1.630 -21.085 -5.805 1.00 0.00 C ATOM 1830 O ALA B 643 -2.618 -21.330 -6.497 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.893 -21.583 -3.368 1.00 0.00 C ATOM 0 H ALA B 643 0.569 -21.509 -3.710 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.561 -23.021 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.974 -21.563 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.640 -22.288 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.543 -20.588 -3.093 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.861 -20.020 -5.993 1.00 0.00 N ATOM 1838 CA TRP B 644 -1.139 -19.053 -7.049 1.00 0.00 C ATOM 1839 C TRP B 644 -1.300 -19.750 -8.396 1.00 0.00 C ATOM 1840 O TRP B 644 -0.701 -20.797 -8.638 1.00 0.00 O ATOM 1841 CB TRP B 644 -0.017 -18.017 -7.128 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.391 -16.796 -7.915 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.361 -16.654 -9.272 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.851 -15.546 -7.390 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.773 -15.392 -9.623 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -1.080 -14.692 -8.487 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -1.093 -15.064 -6.100 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.538 -13.387 -8.330 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.547 -13.769 -5.947 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.766 -12.942 -7.057 1.00 0.00 C ATOM 0 H TRP B 644 -0.040 -19.803 -5.428 1.00 0.00 H new ATOM 0 HA TRP B 644 -2.074 -18.548 -6.808 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.264 -17.718 -6.118 1.00 0.00 H new ATOM 0 HB3 TRP B 644 0.862 -18.477 -7.580 1.00 0.00 H new ATOM 0 HD1 TRP B 644 -0.058 -17.422 -9.968 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.840 -15.034 -10.576 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.928 -15.694 -5.238 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.707 -12.748 -9.184 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.737 -13.387 -4.955 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -2.122 -11.934 -6.904 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.112 -19.162 -9.267 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.351 -19.727 -10.590 1.00 0.00 C ATOM 1862 C GLN B 645 -1.399 -19.129 -11.619 1.00 0.00 C ATOM 1863 O GLN B 645 -0.541 -19.822 -12.164 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.800 -19.485 -11.018 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.824 -20.005 -10.020 1.00 0.00 C ATOM 1866 CD GLN B 645 -5.088 -21.490 -10.177 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.884 -21.905 -11.021 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.421 -22.300 -9.364 1.00 0.00 N ATOM 0 H GLN B 645 -2.616 -18.295 -9.081 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.170 -20.800 -10.535 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.954 -18.415 -11.160 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.970 -19.963 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.472 -19.807 -9.007 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.759 -19.458 -10.145 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.771 -21.913 -8.679 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.558 -23.309 -9.424 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.556 -17.834 -11.881 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.702 -17.164 -12.845 1.00 0.00 C ATOM 1877 C GLY B 646 -1.385 -16.965 -14.184 1.00 0.00 C ATOM 1878 O GLY B 646 -1.089 -16.010 -14.903 1.00 0.00 O ATOM 0 H GLY B 646 -2.259 -17.238 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.400 -16.195 -12.447 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.208 -17.748 -12.988 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.299 -17.868 -14.519 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.025 -17.788 -15.782 1.00 0.00 C ATOM 1884 C ASP B 647 -4.393 -17.144 -15.583 1.00 0.00 C ATOM 1885 O ASP B 647 -5.323 -17.382 -16.353 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.188 -19.181 -16.391 1.00 0.00 C ATOM 1887 CG ASP B 647 -3.035 -19.177 -17.899 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.519 -18.222 -18.542 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.428 -20.126 -18.436 1.00 0.00 O ATOM 0 H ASP B 647 -2.555 -18.664 -13.935 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.446 -17.167 -16.466 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.448 -19.853 -15.956 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.170 -19.576 -16.130 1.00 0.00 H new ATOM 1893 N THR B 648 -4.510 -16.325 -14.540 1.00 0.00 N ATOM 1894 CA THR B 648 -5.764 -15.649 -14.237 1.00 0.00 C ATOM 1895 C THR B 648 -5.558 -14.144 -14.100 1.00 0.00 C ATOM 1896 O THR B 648 -6.333 -13.460 -13.434 1.00 0.00 O ATOM 1897 CB THR B 648 -6.395 -16.189 -12.941 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.513 -15.964 -11.836 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.694 -17.676 -13.064 1.00 0.00 C ATOM 0 H THR B 648 -3.751 -16.115 -13.892 1.00 0.00 H new ATOM 0 HA THR B 648 -6.439 -15.847 -15.070 1.00 0.00 H new ATOM 0 HB THR B 648 -7.332 -15.659 -12.770 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.922 -16.309 -11.015 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.139 -18.036 -12.136 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.389 -17.841 -13.888 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.768 -18.219 -13.256 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.506 -13.635 -14.735 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.217 -12.214 -14.671 1.00 0.00 C ATOM 1909 C GLY B 649 -2.813 -11.930 -14.175 1.00 0.00 C ATOM 1910 O GLY B 649 -1.840 -12.126 -14.903 1.00 0.00 O ATOM 0 H GLY B 649 -3.849 -14.181 -15.292 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.345 -11.775 -15.661 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.937 -11.729 -14.012 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.709 -11.465 -12.935 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.413 -11.153 -12.344 1.00 0.00 C ATOM 1916 C ILE B 650 -0.710 -12.417 -11.860 1.00 0.00 C ATOM 1917 O ILE B 650 -1.349 -13.346 -11.366 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.554 -10.174 -11.163 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.227 -8.879 -11.624 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.192 -9.881 -10.552 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.400 -7.861 -10.518 1.00 0.00 C ATOM 0 H ILE B 650 -3.505 -11.296 -12.320 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.815 -10.684 -13.125 1.00 0.00 H new ATOM 0 HB ILE B 650 -2.181 -10.636 -10.400 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.635 -8.436 -12.425 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.204 -9.117 -12.044 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.308 -9.188 -9.719 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.253 -10.809 -10.193 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.457 -9.436 -11.306 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.883 -6.969 -10.917 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -3.018 -8.285 -9.726 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.424 -7.594 -10.113 1.00 0.00 H new ATOM 1932 N THR B 651 0.611 -12.445 -12.004 1.00 0.00 N ATOM 1933 CA THR B 651 1.402 -13.594 -11.582 1.00 0.00 C ATOM 1934 C THR B 651 2.040 -13.350 -10.220 1.00 0.00 C ATOM 1935 O THR B 651 1.958 -12.251 -9.673 1.00 0.00 O ATOM 1936 CB THR B 651 2.508 -13.921 -12.603 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.173 -13.367 -13.882 1.00 0.00 O ATOM 1938 CG2 THR B 651 2.698 -15.424 -12.731 1.00 0.00 C ATOM 0 H THR B 651 1.156 -11.684 -12.410 1.00 0.00 H new ATOM 0 HA THR B 651 0.719 -14.441 -11.515 1.00 0.00 H new ATOM 0 HB THR B 651 3.441 -13.481 -12.249 1.00 0.00 H new ATOM 0 HG1 THR B 651 2.882 -13.578 -14.525 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.484 -15.631 -13.457 1.00 0.00 H new ATOM 0 HG22 THR B 651 2.980 -15.839 -11.763 1.00 0.00 H new ATOM 0 HG23 THR B 651 1.766 -15.881 -13.064 1.00 0.00 H new ATOM 1946 N TYR B 652 2.676 -14.383 -9.677 1.00 0.00 N ATOM 1947 CA TYR B 652 3.328 -14.282 -8.376 1.00 0.00 C ATOM 1948 C TYR B 652 4.497 -13.304 -8.428 1.00 0.00 C ATOM 1949 O TYR B 652 4.728 -12.547 -7.486 1.00 0.00 O ATOM 1950 CB TYR B 652 3.817 -15.657 -7.920 1.00 0.00 C ATOM 1951 CG TYR B 652 4.857 -16.264 -8.835 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.483 -17.044 -9.923 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.213 -16.059 -8.612 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.428 -17.601 -10.761 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.165 -16.612 -9.446 1.00 0.00 C ATOM 1956 CZ TYR B 652 6.768 -17.381 -10.519 1.00 0.00 C ATOM 1957 OH TYR B 652 7.713 -17.935 -11.351 1.00 0.00 O ATOM 0 H TYR B 652 2.754 -15.300 -10.118 1.00 0.00 H new ATOM 0 HA TYR B 652 2.597 -13.908 -7.659 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.234 -15.571 -6.917 1.00 0.00 H new ATOM 0 HB3 TYR B 652 2.964 -16.333 -7.854 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.435 -17.217 -10.116 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.528 -15.457 -7.772 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.120 -18.206 -11.601 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.215 -16.443 -9.258 1.00 0.00 H new ATOM 0 HH TYR B 652 8.608 -17.683 -11.043 1.00 0.00 H new ATOM 1966 N GLN B 653 5.231 -13.327 -9.536 1.00 0.00 N ATOM 1967 CA GLN B 653 6.377 -12.442 -9.712 1.00 0.00 C ATOM 1968 C GLN B 653 5.925 -11.009 -9.970 1.00 0.00 C ATOM 1969 O GLN B 653 6.490 -10.062 -9.425 1.00 0.00 O ATOM 1970 CB GLN B 653 7.252 -12.930 -10.866 1.00 0.00 C ATOM 1971 CG GLN B 653 6.505 -13.057 -12.185 1.00 0.00 C ATOM 1972 CD GLN B 653 6.696 -11.848 -13.082 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.074 -10.771 -12.620 1.00 0.00 O ATOM 1974 NE2 GLN B 653 6.436 -12.023 -14.372 1.00 0.00 N ATOM 0 H GLN B 653 5.053 -13.948 -10.325 1.00 0.00 H new ATOM 0 HA GLN B 653 6.961 -12.458 -8.792 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.086 -12.240 -10.995 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.677 -13.899 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.847 -13.950 -12.708 1.00 0.00 H new ATOM 0 HG3 GLN B 653 5.442 -13.192 -11.985 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.125 -12.933 -14.711 1.00 0.00 H new ATOM 0 HE22 GLN B 653 6.547 -11.247 -15.025 1.00 0.00 H new ATOM 1981 N ALA B 654 4.902 -10.859 -10.806 1.00 0.00 N ATOM 1982 CA ALA B 654 4.373 -9.541 -11.136 1.00 0.00 C ATOM 1983 C ALA B 654 3.685 -8.909 -9.931 1.00 0.00 C ATOM 1984 O ALA B 654 3.873 -7.726 -9.648 1.00 0.00 O ATOM 1985 CB ALA B 654 3.407 -9.639 -12.308 1.00 0.00 C ATOM 0 H ALA B 654 4.424 -11.633 -11.267 1.00 0.00 H new ATOM 0 HA ALA B 654 5.208 -8.901 -11.421 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.019 -8.648 -12.544 1.00 0.00 H new ATOM 0 HB2 ALA B 654 3.928 -10.041 -13.177 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.580 -10.298 -12.044 1.00 0.00 H new ATOM 1991 N TRP B 655 2.887 -9.704 -9.227 1.00 0.00 N ATOM 1992 CA TRP B 655 2.170 -9.220 -8.053 1.00 0.00 C ATOM 1993 C TRP B 655 3.142 -8.725 -6.987 1.00 0.00 C ATOM 1994 O TRP B 655 2.914 -7.689 -6.362 1.00 0.00 O ATOM 1995 CB TRP B 655 1.285 -10.328 -7.478 1.00 0.00 C ATOM 1996 CG TRP B 655 0.327 -9.841 -6.434 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -1.009 -9.607 -6.594 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.631 -9.525 -5.071 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.554 -9.167 -5.412 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.568 -9.108 -4.462 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.799 -9.557 -4.305 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.630 -8.725 -3.125 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.737 -9.176 -2.978 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.529 -8.766 -2.399 1.00 0.00 C ATOM 0 H TRP B 655 2.720 -10.686 -9.448 1.00 0.00 H new ATOM 0 HA TRP B 655 1.541 -8.385 -8.361 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.723 -10.792 -8.289 1.00 0.00 H new ATOM 0 HB3 TRP B 655 1.919 -11.102 -7.046 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.557 -9.747 -7.514 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.534 -8.924 -5.265 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.734 -9.874 -4.742 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.560 -8.407 -2.677 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.634 -9.195 -2.378 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.512 -8.476 -1.359 1.00 0.00 H new ATOM 2014 N GLN B 656 4.225 -9.469 -6.787 1.00 0.00 N ATOM 2015 CA GLN B 656 5.230 -9.104 -5.796 1.00 0.00 C ATOM 2016 C GLN B 656 5.785 -7.711 -6.072 1.00 0.00 C ATOM 2017 O GLN B 656 5.746 -6.834 -5.210 1.00 0.00 O ATOM 2018 CB GLN B 656 6.367 -10.128 -5.792 1.00 0.00 C ATOM 2019 CG GLN B 656 6.098 -11.331 -4.904 1.00 0.00 C ATOM 2020 CD GLN B 656 6.658 -11.161 -3.505 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.120 -10.403 -2.697 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.742 -11.868 -3.211 1.00 0.00 N ATOM 0 H GLN B 656 4.429 -10.328 -7.298 1.00 0.00 H new ATOM 0 HA GLN B 656 4.753 -9.097 -4.816 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.540 -10.471 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.283 -9.640 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.023 -11.499 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.534 -12.219 -5.360 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.155 -12.484 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.162 -11.795 -2.285 1.00 0.00 H new ATOM 2029 N ALA B 657 6.302 -7.513 -7.281 1.00 0.00 N ATOM 2030 CA ALA B 657 6.864 -6.226 -7.671 1.00 0.00 C ATOM 2031 C ALA B 657 5.790 -5.145 -7.697 1.00 0.00 C ATOM 2032 O ALA B 657 5.998 -4.040 -7.195 1.00 0.00 O ATOM 2033 CB ALA B 657 7.539 -6.336 -9.030 1.00 0.00 C ATOM 0 H ALA B 657 6.343 -8.228 -8.007 1.00 0.00 H new ATOM 0 HA ALA B 657 7.610 -5.942 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.954 -5.368 -9.309 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.340 -7.074 -8.980 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.807 -6.645 -9.776 1.00 0.00 H new ATOM 2039 N GLN B 658 4.643 -5.469 -8.284 1.00 0.00 N ATOM 2040 CA GLN B 658 3.538 -4.523 -8.377 1.00 0.00 C ATOM 2041 C GLN B 658 3.138 -4.016 -6.994 1.00 0.00 C ATOM 2042 O GLN B 658 3.068 -2.810 -6.761 1.00 0.00 O ATOM 2043 CB GLN B 658 2.335 -5.176 -9.061 1.00 0.00 C ATOM 2044 CG GLN B 658 2.444 -5.213 -10.576 1.00 0.00 C ATOM 2045 CD GLN B 658 1.209 -5.796 -11.236 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.163 -5.152 -11.300 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.327 -7.023 -11.731 1.00 0.00 N ATOM 0 H GLN B 658 4.455 -6.380 -8.703 1.00 0.00 H new ATOM 0 HA GLN B 658 3.869 -3.674 -8.974 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.224 -6.194 -8.688 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.431 -4.634 -8.783 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.608 -4.202 -10.949 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.316 -5.803 -10.859 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.214 -7.520 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.530 -7.468 -12.187 1.00 0.00 H new ATOM 2054 N TRP B 659 2.877 -4.946 -6.082 1.00 0.00 N ATOM 2055 CA TRP B 659 2.484 -4.592 -4.723 1.00 0.00 C ATOM 2056 C TRP B 659 3.492 -3.636 -4.096 1.00 0.00 C ATOM 2057 O TRP B 659 3.132 -2.548 -3.647 1.00 0.00 O ATOM 2058 CB TRP B 659 2.356 -5.852 -3.863 1.00 0.00 C ATOM 2059 CG TRP B 659 1.915 -5.571 -2.459 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.716 -5.379 -1.371 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.566 -5.452 -1.992 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.949 -5.148 -0.255 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.627 -5.187 -0.610 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.686 -5.542 -2.607 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.517 -5.012 0.165 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.820 -5.369 -1.837 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.730 -5.106 -0.463 1.00 0.00 C ATOM 0 H TRP B 659 2.930 -5.949 -6.259 1.00 0.00 H new ATOM 0 HA TRP B 659 1.517 -4.091 -4.770 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.644 -6.531 -4.331 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.317 -6.365 -3.838 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.796 -5.405 -1.385 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.306 -4.976 0.685 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.765 -5.743 -3.665 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.450 -4.809 1.224 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.793 -5.438 -2.302 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.635 -4.975 0.111 1.00 0.00 H new ATOM 2077 N ASN B 660 4.756 -4.048 -4.068 1.00 0.00 N ATOM 2078 CA ASN B 660 5.816 -3.226 -3.496 1.00 0.00 C ATOM 2079 C ASN B 660 5.793 -1.820 -4.088 1.00 0.00 C ATOM 2080 O ASN B 660 5.915 -0.831 -3.366 1.00 0.00 O ATOM 2081 CB ASN B 660 7.180 -3.873 -3.741 1.00 0.00 C ATOM 2082 CG ASN B 660 7.572 -4.832 -2.633 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.510 -4.575 -1.877 1.00 0.00 O ATOM 2084 ND2 ASN B 660 6.854 -5.944 -2.532 1.00 0.00 N ATOM 0 H ASN B 660 5.071 -4.946 -4.435 1.00 0.00 H new ATOM 0 HA ASN B 660 5.645 -3.152 -2.422 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.160 -4.408 -4.691 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.938 -3.095 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN B 660 7.071 -6.627 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN B 660 6.085 -6.116 -3.180 1.00 0.00 H new ATOM 2090 N GLN B 661 5.636 -1.741 -5.405 1.00 0.00 N ATOM 2091 CA GLN B 661 5.598 -0.456 -6.094 1.00 0.00 C ATOM 2092 C GLN B 661 4.375 0.351 -5.674 1.00 0.00 C ATOM 2093 O GLN B 661 4.418 1.579 -5.621 1.00 0.00 O ATOM 2094 CB GLN B 661 5.591 -0.665 -7.609 1.00 0.00 C ATOM 2095 CG GLN B 661 6.882 -1.262 -8.147 1.00 0.00 C ATOM 2096 CD GLN B 661 7.734 -0.243 -8.880 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.546 -0.003 -10.073 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.677 0.363 -8.167 1.00 0.00 N ATOM 0 H GLN B 661 5.533 -2.551 -6.016 1.00 0.00 H new ATOM 0 HA GLN B 661 6.492 0.103 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.760 -1.319 -7.873 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.411 0.292 -8.099 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.455 -1.683 -7.321 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.644 -2.084 -8.822 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.797 0.133 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.281 1.058 -8.606 1.00 0.00 H new ATOM 2105 N ALA B 662 3.284 -0.349 -5.377 1.00 0.00 N ATOM 2106 CA ALA B 662 2.049 0.302 -4.960 1.00 0.00 C ATOM 2107 C ALA B 662 2.160 0.830 -3.534 1.00 0.00 C ATOM 2108 O ALA B 662 1.936 2.013 -3.281 1.00 0.00 O ATOM 2109 CB ALA B 662 0.878 -0.662 -5.080 1.00 0.00 C ATOM 0 H ALA B 662 3.231 -1.367 -5.418 1.00 0.00 H new ATOM 0 HA ALA B 662 1.874 1.152 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.038 -0.162 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.778 -0.985 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.055 -1.530 -4.445 1.00 0.00 H new ATOM 2115 N MET B 663 2.507 -0.056 -2.606 1.00 0.00 N ATOM 2116 CA MET B 663 2.648 0.321 -1.204 1.00 0.00 C ATOM 2117 C MET B 663 3.669 1.443 -1.044 1.00 0.00 C ATOM 2118 O MET B 663 3.465 2.372 -0.263 1.00 0.00 O ATOM 2119 CB MET B 663 3.068 -0.890 -0.368 1.00 0.00 C ATOM 2120 CG MET B 663 2.345 -0.985 0.966 1.00 0.00 C ATOM 2121 SD MET B 663 0.833 -1.963 0.869 1.00 0.00 S ATOM 2122 CE MET B 663 -0.074 -1.322 2.273 1.00 0.00 C ATOM 0 H MET B 663 2.696 -1.040 -2.799 1.00 0.00 H new ATOM 0 HA MET B 663 1.681 0.680 -0.850 1.00 0.00 H new ATOM 0 HB2 MET B 663 2.881 -1.799 -0.940 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.142 -0.843 -0.188 1.00 0.00 H new ATOM 0 HG2 MET B 663 3.012 -1.427 1.706 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.102 0.019 1.315 1.00 0.00 H new ATOM 0 HE1 MET B 663 -1.142 -1.337 2.054 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.125 -1.941 3.148 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.241 -0.298 2.473 1.00 0.00 H new ATOM 2130 N GLU B 664 4.766 1.351 -1.789 1.00 0.00 N ATOM 2131 CA GLU B 664 5.818 2.358 -1.726 1.00 0.00 C ATOM 2132 C GLU B 664 5.252 3.752 -1.979 1.00 0.00 C ATOM 2133 O GLU B 664 5.416 4.658 -1.163 1.00 0.00 O ATOM 2134 CB GLU B 664 6.914 2.047 -2.748 1.00 0.00 C ATOM 2135 CG GLU B 664 7.957 3.144 -2.874 1.00 0.00 C ATOM 2136 CD GLU B 664 9.294 2.624 -3.366 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.875 1.751 -2.688 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.759 3.089 -4.427 1.00 0.00 O ATOM 0 H GLU B 664 4.949 0.590 -2.443 1.00 0.00 H new ATOM 0 HA GLU B 664 6.248 2.336 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.409 1.117 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.454 1.881 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.594 3.908 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.092 3.624 -1.905 1.00 0.00 H new ATOM 2143 N ASP B 665 4.585 3.915 -3.116 1.00 0.00 N ATOM 2144 CA ASP B 665 3.993 5.199 -3.478 1.00 0.00 C ATOM 2145 C ASP B 665 2.817 5.531 -2.565 1.00 0.00 C ATOM 2146 O ASP B 665 2.512 6.701 -2.329 1.00 0.00 O ATOM 2147 CB ASP B 665 3.534 5.179 -4.937 1.00 0.00 C ATOM 2148 CG ASP B 665 2.946 6.506 -5.376 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.450 7.557 -4.928 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.981 6.493 -6.168 1.00 0.00 O ATOM 0 H ASP B 665 4.440 3.175 -3.803 1.00 0.00 H new ATOM 0 HA ASP B 665 4.753 5.970 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.380 4.930 -5.578 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.790 4.393 -5.070 1.00 0.00 H new ATOM 2154 N LEU B 666 2.159 4.496 -2.056 1.00 0.00 N ATOM 2155 CA LEU B 666 1.015 4.677 -1.170 1.00 0.00 C ATOM 2156 C LEU B 666 1.452 5.247 0.175 1.00 0.00 C ATOM 2157 O LEU B 666 0.740 6.044 0.786 1.00 0.00 O ATOM 2158 CB LEU B 666 0.290 3.346 -0.961 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.125 3.026 0.476 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.242 3.953 0.928 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.555 1.571 0.595 1.00 0.00 C ATOM 0 H LEU B 666 2.398 3.522 -2.242 1.00 0.00 H new ATOM 0 HA LEU B 666 0.333 5.386 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.603 3.340 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU B 666 0.935 2.544 -1.319 1.00 0.00 H new ATOM 0 HG LEU B 666 0.735 3.184 1.126 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.524 3.710 1.953 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.899 4.986 0.881 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.105 3.828 0.275 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.847 1.361 1.624 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.401 1.386 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.274 0.922 0.313 1.00 0.00 H new ATOM 2172 N VAL B 667 2.631 4.834 0.632 1.00 0.00 N ATOM 2173 CA VAL B 667 3.166 5.306 1.903 1.00 0.00 C ATOM 2174 C VAL B 667 3.487 6.795 1.846 1.00 0.00 C ATOM 2175 O VAL B 667 3.048 7.569 2.698 1.00 0.00 O ATOM 2176 CB VAL B 667 4.438 4.534 2.298 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.074 5.149 3.535 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.119 3.064 2.527 1.00 0.00 C ATOM 0 H VAL B 667 3.233 4.174 0.140 1.00 0.00 H new ATOM 0 HA VAL B 667 2.395 5.132 2.654 1.00 0.00 H new ATOM 0 HB VAL B 667 5.154 4.604 1.479 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.972 4.590 3.799 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.340 6.186 3.330 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.367 5.113 4.364 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.029 2.533 2.805 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.386 2.971 3.328 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.713 2.633 1.612 1.00 0.00 H new ATOM 2188 N ARG B 668 4.253 7.192 0.836 1.00 0.00 N ATOM 2189 CA ARG B 668 4.633 8.589 0.666 1.00 0.00 C ATOM 2190 C ARG B 668 3.422 9.441 0.299 1.00 0.00 C ATOM 2191 O ARG B 668 3.357 10.623 0.637 1.00 0.00 O ATOM 2192 CB ARG B 668 5.709 8.720 -0.414 1.00 0.00 C ATOM 2193 CG ARG B 668 5.372 7.987 -1.701 1.00 0.00 C ATOM 2194 CD ARG B 668 6.370 8.308 -2.803 1.00 0.00 C ATOM 2195 NE ARG B 668 5.761 9.072 -3.889 1.00 0.00 N ATOM 2196 CZ ARG B 668 6.441 9.541 -4.928 1.00 0.00 C ATOM 2197 NH1 ARG B 668 7.745 9.326 -5.024 1.00 0.00 N ATOM 2198 NH2 ARG B 668 5.815 10.227 -5.877 1.00 0.00 N ATOM 0 H ARG B 668 4.623 6.565 0.122 1.00 0.00 H new ATOM 0 HA ARG B 668 5.034 8.948 1.614 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.862 9.776 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.652 8.337 -0.024 1.00 0.00 H new ATOM 0 HG2 ARG B 668 5.364 6.913 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG B 668 4.369 8.262 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.202 8.874 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.783 7.380 -3.200 1.00 0.00 H new ATOM 0 HE ARG B 668 4.758 9.255 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.230 8.798 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG B 668 8.264 9.688 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG B 668 4.811 10.394 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG B 668 6.338 10.587 -6.675 1.00 0.00 H new ATOM 2209 N ALA B 669 2.466 8.833 -0.395 1.00 0.00 N ATOM 2210 CA ALA B 669 1.257 9.536 -0.807 1.00 0.00 C ATOM 2211 C ALA B 669 0.540 10.145 0.393 1.00 0.00 C ATOM 2212 O ALA B 669 -0.185 11.131 0.260 1.00 0.00 O ATOM 2213 CB ALA B 669 0.328 8.592 -1.555 1.00 0.00 C ATOM 0 H ALA B 669 2.505 7.856 -0.684 1.00 0.00 H new ATOM 0 HA ALA B 669 1.548 10.348 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.571 9.130 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.835 8.208 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.053 7.761 -0.905 1.00 0.00 H new ATOM 2219 N TYR B 670 0.748 9.553 1.565 1.00 0.00 N ATOM 2220 CA TYR B 670 0.119 10.035 2.787 1.00 0.00 C ATOM 2221 C TYR B 670 0.948 11.147 3.424 1.00 0.00 C ATOM 2222 O TYR B 670 0.464 12.260 3.630 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.062 8.886 3.780 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.785 9.288 5.046 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -2.161 9.486 5.050 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -0.094 9.471 6.237 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -2.826 9.854 6.204 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -0.751 9.837 7.396 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.116 10.028 7.374 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.774 10.395 8.526 1.00 0.00 O ATOM 0 H TYR B 670 1.348 8.738 1.693 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.859 10.439 2.527 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.615 8.082 3.295 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.917 8.486 4.042 1.00 0.00 H new ATOM 0 HD1 TYR B 670 -2.720 9.350 4.136 1.00 0.00 H new ATOM 0 HD2 TYR B 670 0.976 9.325 6.257 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -3.895 10.005 6.190 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -0.198 9.973 8.314 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.671 9.691 9.200 1.00 0.00 H new ATOM 2239 N HIS B 671 2.203 10.836 3.735 1.00 0.00 N ATOM 2240 CA HIS B 671 3.102 11.807 4.347 1.00 0.00 C ATOM 2241 C HIS B 671 3.258 13.039 3.460 1.00 0.00 C ATOM 2242 O HIS B 671 3.621 14.115 3.933 1.00 0.00 O ATOM 2243 CB HIS B 671 4.470 11.176 4.606 1.00 0.00 C ATOM 2244 CG HIS B 671 5.262 11.876 5.668 1.00 0.00 C ATOM 2245 ND1 HIS B 671 5.220 11.515 6.998 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.121 12.919 5.589 1.00 0.00 C ATOM 2247 CE1 HIS B 671 6.018 12.308 7.691 1.00 0.00 C ATOM 2248 NE2 HIS B 671 6.576 13.168 6.860 1.00 0.00 N ATOM 0 H HIS B 671 2.620 9.919 3.573 1.00 0.00 H new ATOM 0 HA HIS B 671 2.667 12.117 5.297 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.331 10.134 4.895 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.042 11.176 3.678 1.00 0.00 H new ATOM 0 HD2 HIS B 671 6.397 13.455 4.693 1.00 0.00 H new ATOM 0 HE1 HIS B 671 6.185 12.260 8.757 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.238 13.899 7.120 1.00 0.00 H new ATOM 2255 N ALA B 672 2.979 12.872 2.171 1.00 0.00 N ATOM 2256 CA ALA B 672 3.088 13.971 1.218 1.00 0.00 C ATOM 2257 C ALA B 672 2.298 15.187 1.690 1.00 0.00 C ATOM 2258 O ALA B 672 2.662 16.325 1.399 1.00 0.00 O ATOM 2259 CB ALA B 672 2.606 13.526 -0.155 1.00 0.00 C ATOM 0 H ALA B 672 2.676 11.988 1.763 1.00 0.00 H new ATOM 0 HA ALA B 672 4.137 14.258 1.148 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.692 14.355 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.216 12.692 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.564 13.212 -0.091 1.00 0.00 H new ATOM 2265 N MET B 673 1.215 14.936 2.419 1.00 0.00 N ATOM 2266 CA MET B 673 0.375 16.012 2.932 1.00 0.00 C ATOM 2267 C MET B 673 1.112 16.816 3.999 1.00 0.00 C ATOM 2268 O MET B 673 1.140 18.046 3.952 1.00 0.00 O ATOM 2269 CB MET B 673 -0.922 15.442 3.511 1.00 0.00 C ATOM 2270 CG MET B 673 -1.783 16.482 4.210 1.00 0.00 C ATOM 2271 SD MET B 673 -2.025 16.120 5.960 1.00 0.00 S ATOM 2272 CE MET B 673 -2.676 14.453 5.874 1.00 0.00 C ATOM 0 H MET B 673 0.899 13.998 2.667 1.00 0.00 H new ATOM 0 HA MET B 673 0.133 16.678 2.104 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.499 14.985 2.707 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.677 14.650 4.218 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.318 17.462 4.107 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.753 16.536 3.716 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.399 14.303 6.676 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.165 14.303 4.912 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.861 13.738 5.982 1.00 0.00 H new